HEADER OXYGEN TRANSPORT 07-MAR-79 1ECO 1ECO 3 COMPND HEMOGLOBIN (ERYTHROCRUORIN, CARBONMONOXY) 1ECO 4 SOURCE (CHIRONOMOUS THUMMI THUMMI) (FRACTION III) 1ECO 5 AUTHOR W.STEIGEMANN,E.WEBER 1ECO 6 REVDAT 5 30-SEP-83 1ECOD 1 REVDAT 1ECOD 1 REVDAT 4 15-SEP-81 1ECOC 1 JRNL 1ECOD 2 REVDAT 3 20-APR-81 1ECOB 1 HELIX 1ECOD 3 REVDAT 2 07-MAY-80 1ECOA 1 REMARK 1ECOD 4 REVDAT 1 05-JUL-79 1ECO 0 1ECOD 5 JRNL AUTH W.STEIGEMANN,E.WEBER 1ECO 7 JRNL TITL STRUCTURE OF ERYTHROCRUORIN IN DIFFERENT LIGAND 1ECO 8 JRNL TITL 2 STATES REFINED AT 1.4 ANGSTROMS RESOLUTION 1ECO 9 JRNL REF J.MOL.BIOL. V. 127 309 1979 1ECOC 1 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 070 1ECO 11 REMARK 1 1ECO 12 REMARK 1 REFERENCE 1 1ECO 13 REMARK 1 AUTH E.WEBER,W.STEIGEMANN,T.A.JONES,R.HUBER 1ECO 14 REMARK 1 TITL THE STRUCTURE OF OXY-*ERYTHROCRUORIN AT 1.4 1ECO 15 REMARK 1 TITL 2 ANGSTROMS RESOLUTION 1ECO 16 REMARK 1 REF J.MOL.BIOL. V. 120 327 1978 1ECOA 1 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1ECO 18 REMARK 1 REFERENCE 2 1ECO 19 REMARK 1 AUTH R.HUBER,O.EPP,W.STEIGEMANN,H.FORMANEK 1ECO 20 REMARK 1 TITL THE ATOMIC STRUCTURE OF ERYTHROCRUORIN IN THE LIGHT 1ECO 21 REMARK 1 TITL 2 OF THE CHEMICAL SEQUENCE AND ITS COMPARISON WITH 1ECO 22 REMARK 1 TITL 3 MYOGLOBIN 1ECO 23 REMARK 1 REF EUR.J.BIOCHEM. V. 19 42 1971 1ECO 24 REMARK 1 REFN ASTM EJBCAI IX ISSN 0014-2956 262 1ECO 25 REMARK 1 REFERENCE 3 1ECO 26 REMARK 1 AUTH R.HUBER,O.EPP,H.FORMANEK 1ECO 27 REMARK 1 TITL STRUCTURES OF DEOXY- AND CARBOMONOXY-ERYTHROCRUORIN 1ECO 28 REMARK 1 REF J.MOL.BIOL. V. 52 349 1970 1ECO 29 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1ECO 30 REMARK 2 1ECO 31 REMARK 2 RESOLUTION. 1.4 ANGSTROMS. 1ECO 32 REMARK 3 1ECO 33 REMARK 3 REFINEMENT. CYCLIC REAL-SPACE REFINEMENT WITH CHAIN 1ECO 34 REMARK 3 CONSTRAINT. SEE J.DEISENHOFER,W.STEIGEMANN, ACTA CRYST., 1ECO 35 REMARK 3 VOL. B31, P. 238, 1975. FREE TEMPERATURE FACTORS FOR 1ECO 36 REMARK 3 PROTEIN ATOMS, TEMPERATURE FACTORS AND OCCUPANCIES FOR 1ECO 37 REMARK 3 SOLVENT MOLECULES. 1ECO 38 REMARK 4 1ECO 39 REMARK 4 FOR OXYGEN TRANSPORT PROTEINS NORMALLY A RESIDUE 1ECO 40 REMARK 4 IDENTIFICATION SCHEME IS USED WHICH IS BASED ON THE 1ECO 41 REMARK 4 SECONDARY STRUCTURE. THIS SCHEME HAS ALSO BEEN APPLIED TO 1ECO 42 REMARK 4 THIS STRUCTURE. SINCE THE RESIDUES ARE NUMBERED 1ECO 43 REMARK 4 SEQUENTIALLY IN THE PROTEIN DATA BANK, THE FOLLOWING TABLE 1ECO 44 REMARK 4 GIVES THE RELATIONSHIP BETWEEN THESE TWO SCHEMES FOR THIS 1ECO 45 REMARK 4 STRUCTURE. 1ECO 46 REMARK 4 1ECO 47 REMARK 4 1 NA3 1ECO 48 REMARK 4 2 - 17 A1 - A16 1ECO 49 REMARK 4 18 AB1 1ECO 50 REMARK 4 19 - 30 B5 - B16 1ECO 51 REMARK 4 31 - 37 C1 - C7 1ECO 52 REMARK 4 38 - 44 CD1 - CD7 1ECO 53 REMARK 4 45 - 51 D1 - D7 1ECO 54 REMARK 4 52 - 71 E1 - E20 1ECO 55 REMARK 4 72 - 79 EF1 - EF8 1ECO 56 REMARK 4 80 - 88 F1 - F9 1ECO 57 REMARK 4 89 - 92 FG2 - FG5 1ECO 58 REMARK 4 93 - 111 G1 - G19 1ECO 59 REMARK 4 112 - 113 GH1 - GH2 1ECO 60 REMARK 4 114 - 115 GH5 - GH6 1ECO 61 REMARK 4 116 - 136 H2 - H22 1ECO 62 REMARK 5 1ECO 63 REMARK 5 ATOM CB OF RESIDUE ALA 115 (GH6) IS INVISIBLE IN THE 1ECO 64 REMARK 5 ELECTRON DENSITY. NO COORDINATES ARE GIVEN FOR THIS ATOM. 1ECO 65 REMARK 6 1ECOA 2 REMARK 6 CORRECTION. CORRECT FORMAT IN REFERENCE 1. 07-MAY-80. 1ECOA 3 REMARK 7 1ECOB 1 REMARK 7 CORRECTION. CORRECT RESIDUE IDENTIFICATION ON HELIX 8 1ECOB 2 REMARK 7 RECORD. 20-APR-81. 1ECOB 3 REMARK 8 1ECOC 2 REMARK 8 CORRECTION. CORRECT JOURNAL NAME ON JRNL REFERENCE. 1ECOC 3 REMARK 8 15-SEP-81. 1ECOC 4 REMARK 9 1ECOD 6 REMARK 9 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83. 1ECOD 7 SEQRES 1 136 LEU SER ALA ASP GLN ILE SER THR VAL GLN ALA SER PHE 1ECO 66 SEQRES 2 136 ASP LYS VAL LYS GLY ASP PRO VAL GLY ILE LEU TYR ALA 1ECO 67 SEQRES 3 136 VAL PHE LYS ALA ASP PRO SER ILE MET ALA LYS PHE THR 1ECO 68 SEQRES 4 136 GLN PHE ALA GLY LYS ASP LEU GLU SER ILE LYS GLY THR 1ECO 69 SEQRES 5 136 ALA PRO PHE GLU THR HIS ALA ASN ARG ILE VAL GLY PHE 1ECO 70 SEQRES 6 136 PHE SER LYS ILE ILE GLY GLU LEU PRO ASN ILE GLU ALA 1ECO 71 SEQRES 7 136 ASP VAL ASN THR PHE VAL ALA SER HIS LYS PRO ARG GLY 1ECO 72 SEQRES 8 136 VAL THR HIS ASP GLN LEU ASN ASN PHE ARG ALA GLY PHE 1ECO 73 SEQRES 9 136 VAL SER TYR MET LYS ALA HIS THR ASP PHE ALA GLY ALA 1ECO 74 SEQRES 10 136 GLU ALA ALA TRP GLY ALA THR LEU ASP THR PHE PHE GLY 1ECO 75 SEQRES 11 136 MET ILE PHE SER LYS MET 1ECO 76 FTNOTE 1 1ECO 77 FTNOTE 1 RESIDUE PRO 74 IS A CIS-PROLINE. 1ECO 78 FTNOTE 2 1ECO 79 FTNOTE 2 AN OCCUPANCY OF 0.0 DENOTES ATOMS THAT HAVE NOT BEEN 1ECO 80 FTNOTE 2 LOCALIZED IN THE ELECTRON DENSITY. 1ECO 81 HET HEM 1 45 PROTOPORPHYRIN IX WITH FE2+,CRBNMONOXIDE 1ECO 82 FORMUL 2 HEM C34 H32 N4 O4 FE1 ++ . 1ECO 83 FORMUL 2 HEM C1 O1 1ECO 84 FORMUL 3 HOH *94(H2 O1) 1ECO 85 HELIX 1 A SER 2 LYS 17 1 FROM SER 12 ON DISTORTED TO 5 1ECO 86 HELIX 2 B ASP 19 ASP 31 1 1ECO 87 HELIX 3 C ASP 31 PHE 38 5 1ECO 88 HELIX 4 D ASP 45 LYS 50 1 DISTORTION TO TYPE 5 1ECO 89 HELIX 5 E THR 52 GLU 72 1 1ECO 90 HELIX 6 F ILE 76 LYS 88 1 INCLUDES EF-REGION 1ECO 91 HELIX 7 FG HIS 87 GLY 91 5 1ECO 92 HELIX 8 G THR 93 THR 112 1 1ECOB 4 HELIX 9 H ALA 117 PHE 133 1 1ECO 94 CRYST1 54.300 54.300 35.600 90.00 90.00 120.00 P 32 3 1ECO 95 ORIGX1 1.000000 0.000000 0.000000 0.00000 1ECO 96 ORIGX2 0.000000 1.000000 0.000000 0.00000 1ECO 97 ORIGX3 0.000000 0.000000 1.000000 0.00000 1ECO 98 SCALE1 .018420 .010630 0.000000 0.00000 1ECO 99 SCALE2 0.000000 .021270 0.000000 0.00000 1ECO 100 SCALE3 0.000000 0.000000 .028090 0.00000 1ECO 101 ATOM 1 N LEU 1 -15.072 11.608 27.056 1.00 20.47 1ECO 102 ATOM 2 CA LEU 1 -14.246 10.697 26.254 1.00 13.63 1ECO 103 ATOM 3 C LEU 1 -14.760 9.268 26.398 1.00 12.46 1ECO 104 ATOM 4 O LEU 1 -14.537 8.616 27.423 1.00 15.07 1ECO 105 ATOM 5 CB LEU 1 -12.773 10.779 26.702 1.00 17.55 1ECO 106 ATOM 6 CG LEU 1 -11.712 10.318 25.726 1.00 13.90 1ECO 107 ATOM 7 CD1 LEU 1 -11.856 11.078 24.430 1.00 17.84 1ECO 108 ATOM 8 CD2 LEU 1 -10.333 10.535 26.294 1.00 15.61 1ECO 109 ATOM 9 N SER 2 -15.441 8.802 25.372 1.00 15.42 1ECO 110 ATOM 10 CA SER 2 -16.114 7.500 25.435 1.00 15.28 1ECO 111 ATOM 11 C SER 2 -15.431 6.592 24.418 1.00 12.47 1ECO 112 ATOM 12 O SER 2 -14.623 7.052 23.600 1.00 9.72 1ECO 113 ATOM 13 CB SER 2 -17.587 7.647 25.134 1.00 12.87 1ECO 114 ATOM 14 OG SER 2 -17.814 8.395 23.943 1.00 22.09 1ECO 115 ATOM 15 N ALA 3 -15.759 5.317 24.485 1.00 15.32 1ECO 116 ATOM 16 CA ALA 3 -15.107 4.322 23.624 1.00 10.94 1ECO 117 ATOM 17 C ALA 3 -15.143 4.584 22.121 1.00 9.48 1ECO 118 ATOM 18 O ALA 3 -14.201 4.239 21.393 1.00 9.67 1ECO 119 ATOM 19 CB ALA 3 -15.853 2.998 23.846 1.00 12.70 1ECO 120 ATOM 20 N ASP 4 -16.225 5.189 21.679 1.00 10.63 1ECO 121 ATOM 21 CA ASP 4 -16.409 5.450 20.243 1.00 12.84 1ECO 122 ATOM 22 C ASP 4 -15.381 6.479 19.782 1.00 10.74 1ECO 123 ATOM 23 O ASP 4 -14.801 6.352 18.697 1.00 10.99 1ECO 124 ATOM 24 CB ASP 4 -17.845 5.953 19.986 1.00 16.36 1ECO 125 ATOM 25 CG ASP 4 -18.130 7.219 20.742 1.00 20.52 1ECO 126 ATOM 26 OD1 ASP 4 -18.531 8.254 20.241 1.00 41.40 1ECO 127 ATOM 27 OD2 ASP 4 -17.995 7.149 21.931 1.00 22.78 1ECO 128 ATOM 28 N GLN 5 -15.167 7.482 20.617 1.00 11.80 1ECO 129 ATOM 29 CA GLN 5 -14.234 8.565 20.277 1.00 10.47 1ECO 130 ATOM 30 C GLN 5 -12.805 8.039 20.407 1.00 10.24 1ECO 131 ATOM 31 O GLN 5 -11.907 8.452 19.661 1.00 9.59 1ECO 132 ATOM 32 CB GLN 5 -14.405 9.795 21.207 1.00 11.11 1ECO 133 ATOM 33 CG GLN 5 -15.722 10.582 21.073 1.00 12.39 1ECO 134 ATOM 34 CD GLN 5 -15.848 11.828 22.024 1.00 11.11 1ECO 135 ATOM 35 AE1 GLN 5 -16.105 12.917 21.606 1.00 22.47 1ECO 136 ATOM 36 AE2 GLN 5 -15.646 11.448 23.173 1.00 14.64 1ECO 137 ATOM 37 N ILE 6 -12.615 7.136 21.356 1.00 10.41 1ECO 138 ATOM 38 CA ILE 6 -11.245 6.634 21.669 1.00 9.91 1ECO 139 ATOM 39 C ILE 6 -10.812 5.770 20.487 1.00 9.67 1ECO 140 ATOM 40 O ILE 6 -9.651 5.817 20.056 1.00 9.60 1ECO 141 ATOM 41 CB ILE 6 -11.255 5.773 22.947 1.00 10.93 1ECO 142 ATOM 42 CG1 ILE 6 -11.340 6.630 24.235 1.00 12.54 1ECO 143 ATOM 43 CG2 ILE 6 -9.979 4.951 22.760 1.00 9.41 1ECO 144 ATOM 44 CD1 ILE 6 -11.716 5.820 25.492 1.00 15.63 1ECO 145 ATOM 45 N SER 7 -11.750 4.994 19.981 1.00 10.66 1ECO 146 ATOM 46 CA SER 7 -11.457 4.102 18.850 1.00 10.94 1ECO 147 ATOM 47 C SER 7 -11.184 4.872 17.572 1.00 9.00 1ECO 148 ATOM 48 O SER 7 -10.331 4.476 16.790 1.00 10.37 1ECO 149 ATOM 49 CB SER 7 -12.620 3.161 18.610 1.00 11.05 1ECO 150 ATOM 50 OG SER 7 -13.799 3.854 18.216 1.00 13.80 1ECO 151 ATOM 51 N THR 8 -11.909 5.960 17.402 1.00 10.28 1ECO 152 ATOM 52 CA THR 8 -11.664 6.859 16.280 1.00 11.49 1ECO 153 ATOM 53 C THR 8 -10.273 7.492 16.284 1.00 9.37 1ECO 154 ATOM 54 O THR 8 -9.601 7.553 15.246 1.00 9.03 1ECO 155 ATOM 55 CB THR 8 -12.751 7.947 16.316 1.00 9.51 1ECO 156 ATOM 56 OG1 THR 8 -13.961 7.233 16.085 1.00 12.53 1ECO 157 ATOM 57 CG2 THR 8 -12.550 8.994 15.257 1.00 10.36 1ECO 158 ATOM 58 N VAL 9 -9.863 7.955 17.436 1.00 10.81 1ECO 159 ATOM 59 CA VAL 9 -8.560 8.619 17.562 1.00 10.87 1ECO 160 ATOM 60 C VAL 9 -7.437 7.611 17.330 1.00 10.08 1ECO 161 ATOM 61 O VAL 9 -6.400 7.947 16.756 1.00 9.98 1ECO 162 ATOM 62 CB VAL 9 -8.436 9.240 18.933 1.00 12.94 1ECO 163 ATOM 63 CG1 VAL 9 -7.004 9.317 19.479 1.00 16.34 1ECO 164 ATOM 64 CG2 VAL 9 -9.161 10.553 19.027 1.00 11.45 1ECO 165 ATOM 65 N GLN 10 -7.661 6.392 17.757 1.00 10.58 1ECO 166 ATOM 66 CA GLN 10 -6.583 5.390 17.802 1.00 11.14 1ECO 167 ATOM 67 C GLN 10 -6.412 4.798 16.442 1.00 9.57 1ECO 168 ATOM 68 O GLN 10 -5.294 4.480 16.021 1.00 11.10 1ECO 169 ATOM 69 CB GLN 10 -6.902 4.250 18.810 1.00 11.14 1ECO 170 ATOM 70 CG GLN 10 -6.808 4.601 20.303 1.00 11.50 1ECO 171 ATOM 71 CD GLN 10 -7.312 3.476 21.278 1.00 10.30 1ECO 172 ATOM 72 AE1 GLN 10 -6.938 3.413 22.407 1.00 13.61 1ECO 173 ATOM 73 AE2 GLN 10 -8.103 2.763 20.660 1.00 11.52 1ECO 174 ATOM 74 N ALA 11 -7.523 4.660 15.745 1.00 12.16 1ECO 175 ATOM 75 CA ALA 11 -7.481 4.383 14.303 1.00 10.92 1ECO 176 ATOM 76 C ALA 11 -6.795 5.485 13.497 1.00 12.65 1ECO 177 ATOM 77 O ALA 11 -6.011 5.206 12.580 1.00 10.46 1ECO 178 ATOM 78 CB ALA 11 -8.929 4.317 13.789 1.00 10.70 1ECO 179 ATOM 79 N SER 12 -7.099 6.720 13.851 1.00 12.07 1ECO 180 ATOM 80 CA SER 12 -6.464 7.874 13.192 1.00 13.47 1ECO 181 ATOM 81 C SER 12 -4.974 7.934 13.424 1.00 10.40 1ECO 182 ATOM 82 O SER 12 -4.209 8.135 12.483 1.00 11.06 1ECO 183 ATOM 83 CB SER 12 -7.078 9.164 13.688 1.00 11.11 1ECO 184 ATOM 84 OG SER 12 -6.400 10.295 13.190 1.00 11.65 1ECO 185 ATOM 85 N PHE 13 -4.581 7.765 14.672 1.00 10.86 1ECO 186 ATOM 86 CA PHE 13 -3.164 7.778 15.028 1.00 13.09 1ECO 187 ATOM 87 C PHE 13 -2.327 6.642 14.444 1.00 13.24 1ECO 188 ATOM 88 O PHE 13 -1.133 6.809 14.172 1.00 11.19 1ECO 189 ATOM 89 CB PHE 13 -3.024 7.744 16.539 1.00 10.51 1ECO 190 ATOM 90 CG PHE 13 -1.639 8.072 17.002 1.00 10.54 1ECO 191 ATOM 91 CD1 PHE 13 -.925 7.130 17.634 1.00 11.45 1ECO 192 ATOM 92 CD2 PHE 13 -1.049 9.272 16.717 1.00 11.29 1ECO 193 ATOM 93 CE1 PHE 13 .401 7.376 18.073 1.00 15.54 1ECO 194 ATOM 94 CE2 PHE 13 .306 9.495 17.126 1.00 14.30 1ECO 195 ATOM 95 CZ PHE 13 .981 8.571 17.807 1.00 14.72 1ECO 196 ATOM 96 N ASP 14 -2.964 5.507 14.259 1.00 11.93 1ECO 197 ATOM 97 CA ASP 14 -2.269 4.328 13.729 1.00 14.72 1ECO 198 ATOM 98 C ASP 14 -1.702 4.589 12.335 1.00 11.61 1ECO 199 ATOM 99 O ASP 14 -.668 4.028 11.957 1.00 12.54 1ECO 200 ATOM 100 CB ASP 14 -3.232 3.133 13.686 1.00 12.48 1ECO 201 ATOM 101 CG ASP 14 -2.484 1.831 13.587 1.00 12.13 1ECO 202 ATOM 102 OD1 ASP 14 -2.625 1.013 12.702 1.00 15.98 1ECO 203 ATOM 103 OD2 ASP 14 -1.648 1.650 14.425 1.00 16.23 1ECO 204 ATOM 104 N LYS 15 -2.383 5.437 11.590 1.00 13.21 1ECO 205 ATOM 105 CA LYS 15 -1.897 5.846 10.265 1.00 13.54 1ECO 206 ATOM 106 C LYS 15 -.595 6.648 10.206 1.00 13.70 1ECO 207 ATOM 107 O LYS 15 .118 6.622 9.197 1.00 13.50 1ECO 208 ATOM 108 CB LYS 15 -2.925 6.705 9.538 1.00 17.60 1ECO 209 ATOM 109 CG LYS 15 -4.224 6.008 9.241 1.00 18.31 1ECO 210 ATOM 110 CD LYS 15 -5.350 7.016 9.032 0.00 0.00 2 1ECO 211 ATOM 111 CE LYS 15 -6.194 6.663 7.822 0.00 0.00 2 1ECO 212 ATOM 112 NZ LYS 15 -6.912 7.853 7.317 0.00 0.00 2 1ECO 213 ATOM 113 N VAL 16 -.305 7.349 11.289 1.00 12.28 1ECO 214 ATOM 114 CA VAL 16 .805 8.314 11.296 1.00 14.30 1ECO 215 ATOM 115 C VAL 16 1.917 8.034 12.305 1.00 11.53 1ECO 216 ATOM 116 O VAL 16 2.941 8.726 12.330 1.00 12.51 1ECO 217 ATOM 117 CB VAL 16 .267 9.709 11.574 1.00 15.46 1ECO 218 ATOM 118 CG1 VAL 16 -.795 10.212 10.567 1.00 14.35 1ECO 219 ATOM 119 CG2 VAL 16 -.178 9.867 13.001 1.00 12.56 1ECO 220 ATOM 120 N LYS 17 1.702 7.023 13.121 1.00 14.10 1ECO 221 ATOM 121 CA LYS 17 2.625 6.730 14.226 1.00 13.35 1ECO 222 ATOM 122 C LYS 17 4.007 6.232 13.803 1.00 15.87 1ECO 223 ATOM 123 O LYS 17 4.960 6.262 14.591 1.00 13.82 1ECO 224 ATOM 124 CB LYS 17 2.054 5.669 15.161 1.00 19.29 1ECO 225 ATOM 125 CG LYS 17 2.002 4.270 14.576 1.00 16.51 1ECO 226 ATOM 126 CD LYS 17 1.728 3.231 15.661 1.00 33.63 1ECO 227 ATOM 127 CE LYS 17 1.998 1.819 15.166 1.00 37.99 1ECO 228 ATOM 128 NZ LYS 17 1.328 1.577 13.869 1.00 24.94 1ECO 229 ATOM 129 N GLY 18 4.098 5.782 12.566 1.00 14.02 1ECO 230 ATOM 130 CA GLY 18 5.401 5.481 11.960 1.00 14.42 1ECO 231 ATOM 131 C GLY 18 6.233 6.653 11.438 1.00 13.68 1ECO 232 ATOM 132 O GLY 18 7.311 6.459 10.865 1.00 14.29 1ECO 233 ATOM 133 N ASP 19 5.720 7.852 11.639 1.00 12.84 1ECO 234 ATOM 134 CA ASP 19 6.435 9.066 11.222 1.00 13.78 1ECO 235 ATOM 135 C ASP 19 6.674 10.036 12.377 1.00 10.04 1ECO 236 ATOM 136 O ASP 19 6.273 11.203 12.315 1.00 10.20 1ECO 237 ATOM 137 CB ASP 19 5.647 9.779 10.106 1.00 11.51 1ECO 238 ATOM 138 CG ASP 19 6.431 10.920 9.527 1.00 9.89 1ECO 239 ATOM 139 OD1 ASP 19 7.643 10.997 9.526 1.00 11.83 1ECO 240 ATOM 140 OD2 ASP 19 5.780 11.765 8.984 1.00 10.88 1ECO 241 ATOM 141 N PRO 20 7.322 9.542 13.416 1.00 12.36 1ECO 242 ATOM 142 CA PRO 20 7.817 10.427 14.498 1.00 12.91 1ECO 243 ATOM 143 C PRO 20 8.570 11.692 14.085 1.00 9.36 1ECO 244 ATOM 144 O PRO 20 8.364 12.766 14.661 1.00 10.19 1ECO 245 ATOM 145 CB PRO 20 8.480 9.479 15.445 1.00 12.00 1ECO 246 ATOM 146 CG PRO 20 8.901 8.249 14.664 1.00 14.56 1ECO 247 ATOM 147 CD PRO 20 7.969 8.238 13.456 1.00 12.76 1ECO 248 ATOM 148 N VAL 21 9.434 11.547 13.095 1.00 10.69 1ECO 249 ATOM 149 CA VAL 21 10.333 12.700 12.669 1.00 14.23 1ECO 250 ATOM 150 C VAL 21 9.448 13.809 12.112 1.00 9.31 1ECO 251 ATOM 151 O VAL 21 9.633 14.989 12.433 1.00 10.75 1ECO 252 ATOM 152 CB VAL 21 11.281 12.175 11.619 1.00 10.91 1ECO 253 ATOM 153 CG1 VAL 21 11.788 13.263 10.647 1.00 14.48 1ECO 254 ATOM 154 CG2 VAL 21 12.402 11.385 12.233 1.00 13.67 1ECO 255 ATOM 155 N GLY 22 8.501 13.418 11.286 1.00 11.34 1ECO 256 ATOM 156 CA GLY 22 7.560 14.382 10.702 1.00 12.64 1ECO 257 ATOM 157 C GLY 22 6.720 15.149 11.722 1.00 10.99 1ECO 258 ATOM 158 O GLY 22 6.373 16.315 11.507 1.00 11.36 1ECO 259 ATOM 159 N ILE 23 6.409 14.484 12.815 1.00 12.83 1ECO 260 ATOM 160 CA ILE 23 5.459 15.036 13.791 1.00 10.63 1ECO 261 ATOM 161 C ILE 23 6.258 16.037 14.626 1.00 10.70 1ECO 262 ATOM 162 O ILE 23 5.801 17.161 14.871 1.00 10.44 1ECO 263 ATOM 163 CB ILE 23 4.868 13.931 14.702 1.00 12.05 1ECO 264 ATOM 164 CG1 ILE 23 3.795 13.066 13.982 1.00 13.31 1ECO 265 ATOM 165 CG2 ILE 23 4.381 14.740 15.904 1.00 12.54 1ECO 266 ATOM 166 CD1 ILE 23 3.522 11.708 14.671 1.00 10.71 1ECO 267 ATOM 167 N LEU 24 7.439 15.620 15.050 1.00 12.55 1ECO 268 ATOM 168 CA LEU 24 8.342 16.511 15.793 1.00 13.42 1ECO 269 ATOM 169 C LEU 24 8.796 17.737 14.999 1.00 10.57 1ECO 270 ATOM 170 O LEU 24 8.921 18.839 15.549 1.00 10.33 1ECO 271 ATOM 171 CB LEU 24 9.597 15.743 16.243 1.00 11.09 1ECO 272 ATOM 172 CG LEU 24 10.543 16.429 17.189 1.00 13.01 1ECO 273 ATOM 173 CD1 LEU 24 9.816 16.809 18.444 1.00 14.75 1ECO 274 ATOM 174 CD2 LEU 24 11.698 15.525 17.514 1.00 15.32 1ECO 275 ATOM 175 N TYR 25 9.037 17.529 13.718 1.00 12.11 1ECO 276 ATOM 176 CA TYR 25 9.282 18.653 12.799 1.00 11.85 1ECO 277 ATOM 177 C TYR 25 8.158 19.687 12.773 1.00 11.75 1ECO 278 ATOM 178 O TYR 25 8.405 20.897 12.842 1.00 10.06 1ECO 279 ATOM 179 CB TYR 25 9.499 18.096 11.381 1.00 9.97 1ECO 280 ATOM 180 CG TYR 25 9.533 19.154 10.272 1.00 12.93 1ECO 281 ATOM 181 CD1 TYR 25 10.740 19.838 10.055 1.00 13.30 1ECO 282 ATOM 182 CD2 TYR 25 8.411 19.486 9.562 1.00 14.62 1ECO 283 ATOM 183 CE1 TYR 25 10.782 20.855 9.013 1.00 12.39 1ECO 284 ATOM 184 CE2 TYR 25 8.441 20.481 8.539 1.00 23.31 1ECO 285 ATOM 185 CZ TYR 25 9.652 21.156 8.340 1.00 12.43 1ECO 286 ATOM 186 OH TYR 25 9.685 22.136 7.371 1.00 18.26 1ECO 287 ATOM 187 N ALA 26 6.941 19.197 12.673 1.00 11.28 1ECO 288 ATOM 188 CA ALA 26 5.766 20.078 12.716 1.00 10.84 1ECO 289 ATOM 189 C ALA 26 5.633 20.884 14.008 1.00 11.58 1ECO 290 ATOM 190 O ALA 26 5.233 22.056 13.987 1.00 12.34 1ECO 291 ATOM 191 CB ALA 26 4.519 19.186 12.635 1.00 12.06 1ECO 292 ATOM 192 N VAL 27 5.971 20.247 15.113 1.00 12.24 1ECO 293 ATOM 193 CA VAL 27 5.944 20.926 16.414 1.00 13.51 1ECO 294 ATOM 194 C VAL 27 7.012 22.019 16.501 1.00 11.89 1ECO 295 ATOM 195 O VAL 27 6.722 23.159 16.885 1.00 11.98 1ECO 296 ATOM 196 CB VAL 27 6.152 19.907 17.519 1.00 12.07 1ECO 297 ATOM 197 CG1 VAL 27 6.543 20.510 18.863 1.00 12.67 1ECO 298 ATOM 198 CG2 VAL 27 5.000 18.941 17.617 1.00 17.26 1ECO 299 ATOM 199 N PHE 28 8.231 21.655 16.143 1.00 12.21 1ECO 300 ATOM 200 CA PHE 28 9.346 22.617 16.155 1.00 12.25 1ECO 301 ATOM 201 C PHE 28 9.145 23.800 15.208 1.00 11.02 1ECO 302 ATOM 202 O PHE 28 9.571 24.924 15.496 1.00 12.05 1ECO 303 ATOM 203 CB PHE 28 10.629 21.897 15.790 1.00 12.22 1ECO 304 ATOM 204 CG PHE 28 11.371 21.119 16.837 1.00 11.89 1ECO 305 ATOM 205 CD1 PHE 28 10.836 21.008 18.041 1.00 10.88 1ECO 306 ATOM 206 CD2 PHE 28 12.531 20.450 16.554 1.00 14.29 1ECO 307 ATOM 207 CE1 PHE 28 11.485 20.273 19.072 1.00 13.87 1ECO 308 ATOM 208 CE2 PHE 28 13.153 19.675 17.566 1.00 14.54 1ECO 309 ATOM 209 CZ PHE 28 12.646 19.630 18.797 1.00 13.89 1ECO 310 ATOM 210 N LYS 29 8.500 23.530 14.090 1.00 11.56 1ECO 311 ATOM 211 CA LYS 29 8.173 24.591 13.129 1.00 11.86 1ECO 312 ATOM 212 C LYS 29 7.085 25.554 13.599 1.00 14.08 1ECO 313 ATOM 213 O LYS 29 7.094 26.742 13.256 1.00 12.64 1ECO 314 ATOM 214 CB LYS 29 7.701 24.010 11.800 1.00 14.40 1ECO 315 ATOM 215 CG LYS 29 8.199 24.749 10.576 1.00 22.36 1ECO 316 ATOM 216 CD LYS 29 7.101 24.861 9.521 1.00 20.47 1ECO 317 ATOM 217 CE LYS 29 6.493 23.505 9.200 0.00 0.00 2 1ECO 318 ATOM 218 NZ LYS 29 5.172 23.660 8.552 0.00 0.00 2 1ECO 319 ATOM 219 N ALA 30 6.164 25.029 14.378 1.00 11.64 1ECO 320 ATOM 220 CA ALA 30 5.066 25.847 14.913 1.00 12.61 1ECO 321 ATOM 221 C ALA 30 5.596 26.807 15.980 1.00 14.07 1ECO 322 ATOM 222 O ALA 30 5.085 27.909 16.142 1.00 13.90 1ECO 323 ATOM 223 CB ALA 30 4.043 24.939 15.611 1.00 12.79 1ECO 324 ATOM 224 N ASP 31 6.617 26.365 16.689 1.00 12.59 1ECO 325 ATOM 225 CA ASP 31 7.218 27.184 17.726 1.00 12.41 1ECO 326 ATOM 226 C ASP 31 8.705 26.899 17.938 1.00 12.35 1ECO 327 ATOM 227 O ASP 31 9.070 25.990 18.693 1.00 10.77 1ECO 328 ATOM 228 CB ASP 31 6.460 26.966 19.041 1.00 12.56 1ECO 329 ATOM 229 CG ASP 31 6.965 27.880 20.119 1.00 11.74 1ECO 330 ATOM 230 OD1 ASP 31 7.952 28.584 20.025 1.00 10.91 1ECO 331 ATOM 231 OD2 ASP 31 6.286 27.935 21.101 1.00 11.60 1ECO 332 ATOM 232 N PRO 32 9.539 27.682 17.310 1.00 12.70 1ECO 333 ATOM 233 CA PRO 32 11.005 27.553 17.484 1.00 11.59 1ECO 334 ATOM 234 C PRO 32 11.619 27.660 18.852 1.00 10.98 1ECO 335 ATOM 235 O PRO 32 12.764 27.250 19.073 1.00 10.32 1ECO 336 ATOM 236 CB PRO 32 11.566 28.264 16.303 1.00 14.79 1ECO 337 ATOM 237 CG PRO 32 10.510 29.203 15.756 1.00 21.56 1ECO 338 ATOM 238 CD PRO 32 9.192 28.619 16.254 1.00 12.17 1ECO 339 ATOM 239 N SER 33 10.850 28.211 19.775 1.00 11.70 1ECO 340 ATOM 240 CA SER 33 11.310 28.349 21.166 1.00 11.90 1ECO 341 ATOM 241 C SER 33 11.253 27.020 21.916 1.00 11.25 1ECO 342 ATOM 242 O SER 33 11.918 26.841 22.943 1.00 12.35 1ECO 343 ATOM 243 CB SER 33 10.460 29.357 21.903 1.00 11.01 1ECO 344 ATOM 244 OG SER 33 9.277 28.771 22.435 1.00 12.00 1ECO 345 ATOM 245 N ILE 34 10.463 26.110 21.395 1.00 13.27 1ECO 346 ATOM 246 CA ILE 34 10.509 24.717 21.857 1.00 12.11 1ECO 347 ATOM 247 C ILE 34 11.808 24.052 21.402 1.00 10.50 1ECO 348 ATOM 248 O ILE 34 12.501 23.405 22.196 1.00 11.39 1ECO 349 ATOM 249 CB ILE 34 9.323 23.889 21.291 1.00 14.70 1ECO 350 ATOM 250 CG1 ILE 34 7.940 24.419 21.753 1.00 14.00 1ECO 351 ATOM 251 CG2 ILE 34 9.684 22.471 21.739 1.00 14.40 1ECO 352 ATOM 252 CD1 ILE 34 6.744 23.578 21.241 1.00 13.04 1ECO 353 ATOM 253 N MET 35 12.116 24.217 20.134 1.00 11.81 1ECO 354 ATOM 254 CA MET 35 13.392 23.731 19.599 1.00 13.00 1ECO 355 ATOM 255 C MET 35 14.634 24.268 20.310 1.00 12.18 1ECO 356 ATOM 256 O MET 35 15.620 23.542 20.498 1.00 13.69 1ECO 357 ATOM 257 CB MET 35 13.518 24.103 18.099 1.00 12.91 1ECO 358 ATOM 258 CG MET 35 14.765 23.503 17.514 1.00 14.27 1ECO 359 ATOM 259 SD MET 35 14.744 23.590 15.747 1.00 14.15 1ECO 360 ATOM 260 CE MET 35 15.709 25.051 15.527 1.00 19.53 1ECO 361 ATOM 261 N ALA 36 14.573 25.532 20.698 1.00 12.75 1ECO 362 ATOM 262 CA ALA 36 15.692 26.166 21.409 1.00 14.18 1ECO 363 ATOM 263 C ALA 36 16.015 25.675 22.822 1.00 19.02 1ECO 364 ATOM 264 O ALA 36 17.044 26.043 23.402 1.00 17.01 1ECO 365 ATOM 265 CB ALA 36 15.320 27.650 21.547 1.00 14.01 1ECO 366 ATOM 266 N LYS 37 15.138 24.856 23.357 1.00 14.91 1ECO 367 ATOM 267 CA LYS 37 15.394 24.200 24.646 1.00 11.75 1ECO 368 ATOM 268 C LYS 37 16.218 22.917 24.571 1.00 14.54 1ECO 369 ATOM 269 O LYS 37 16.668 22.390 25.595 1.00 14.59 1ECO 370 ATOM 270 CB LYS 37 14.092 23.829 25.347 1.00 16.64 1ECO 371 ATOM 271 CG LYS 37 13.236 25.009 25.757 1.00 16.87 1ECO 372 ATOM 272 CD LYS 37 12.936 24.969 27.246 1.00 38.24 1ECO 373 ATOM 273 CE LYS 37 11.695 25.774 27.586 0.00 0.00 2 1ECO 374 ATOM 274 NZ LYS 37 11.901 26.561 28.820 0.00 0.00 2 1ECO 375 ATOM 275 N PHE 38 16.406 22.435 23.362 1.00 13.19 1ECO 376 ATOM 276 CA PHE 38 17.173 21.203 23.153 1.00 12.83 1ECO 377 ATOM 277 C PHE 38 18.589 21.693 22.846 1.00 14.03 1ECO 378 ATOM 278 O PHE 38 18.826 22.336 21.815 1.00 14.67 1ECO 379 ATOM 279 CB PHE 38 16.533 20.399 22.028 1.00 15.91 1ECO 380 ATOM 280 CG PHE 38 15.249 19.661 22.268 1.00 10.99 1ECO 381 ATOM 281 CD1 PHE 38 14.094 20.361 22.370 1.00 11.86 1ECO 382 ATOM 282 CD2 PHE 38 15.193 18.289 22.307 1.00 15.30 1ECO 383 ATOM 283 CE1 PHE 38 12.840 19.720 22.584 1.00 13.39 1ECO 384 ATOM 284 CE2 PHE 38 13.918 17.650 22.479 1.00 17.86 1ECO 385 ATOM 285 CZ PHE 38 12.791 18.367 22.645 1.00 13.23 1ECO 386 ATOM 286 N THR 39 19.510 21.383 23.747 1.00 16.41 1ECO 387 ATOM 287 CA THR 39 20.914 21.788 23.566 1.00 17.03 1ECO 388 ATOM 288 C THR 39 21.468 21.248 22.250 1.00 16.83 1ECO 389 ATOM 289 O THR 39 22.292 21.897 21.593 1.00 20.19 1ECO 390 ATOM 290 CB THR 39 21.698 21.263 24.782 1.00 14.16 1ECO 391 ATOM 291 OG1 THR 39 21.957 19.901 24.464 1.00 24.44 1ECO 392 ATOM 292 CG2 THR 39 20.914 21.363 26.060 1.00 34.42 1ECO 393 ATOM 293 N GLN 40 21.012 20.073 21.887 1.00 16.88 1ECO 394 ATOM 294 CA GLN 40 21.416 19.472 20.612 1.00 17.30 1ECO 395 ATOM 295 C GLN 40 20.928 20.070 19.299 1.00 13.15 1ECO 396 ATOM 296 O GLN 40 21.522 19.841 18.236 1.00 16.49 1ECO 397 ATOM 297 CB GLN 40 20.981 18.031 20.612 1.00 19.07 1ECO 398 ATOM 298 CG GLN 40 21.427 17.292 19.430 0.00 0.00 2 1ECO 399 ATOM 299 CD GLN 40 22.939 17.325 19.179 0.00 0.00 2 1ECO 400 ATOM 300 AE1 GLN 40 23.358 17.885 18.125 0.00 0.00 2 1ECO 401 ATOM 301 AE2 GLN 40 23.699 16.733 20.014 0.00 0.00 2 1ECO 402 ATOM 302 N PHE 41 19.855 20.827 19.387 1.00 15.71 1ECO 403 ATOM 303 CA PHE 41 19.303 21.496 18.201 1.00 13.87 1ECO 404 ATOM 304 C PHE 41 19.287 23.025 18.176 1.00 11.22 1ECO 405 ATOM 305 O PHE 41 19.089 23.640 17.157 1.00 12.91 1ECO 406 ATOM 306 CB PHE 41 17.872 21.036 17.987 1.00 15.56 1ECO 407 ATOM 307 CG PHE 41 17.734 19.540 17.940 1.00 11.82 1ECO 408 ATOM 308 CD1 PHE 41 16.695 18.950 18.579 1.00 13.86 1ECO 409 ATOM 309 CD2 PHE 41 18.575 18.754 17.235 1.00 11.99 1ECO 410 ATOM 310 CE1 PHE 41 16.502 17.540 18.558 1.00 14.23 1ECO 411 ATOM 311 CE2 PHE 41 18.343 17.338 17.186 1.00 15.25 1ECO 412 ATOM 312 CZ PHE 41 17.350 16.766 17.848 1.00 15.18 1ECO 413 ATOM 313 N ALA 42 19.495 23.618 19.344 1.00 12.78 1ECO 414 ATOM 314 CA ALA 42 19.408 25.080 19.479 1.00 12.92 1ECO 415 ATOM 315 C ALA 42 20.460 25.688 18.549 1.00 13.70 1ECO 416 ATOM 316 O ALA 42 21.578 25.171 18.428 1.00 17.53 1ECO 417 ATOM 317 CB ALA 42 19.796 25.518 20.898 1.00 15.32 1ECO 418 ATOM 318 N GLY 43 20.087 26.776 17.904 1.00 13.50 1ECO 419 ATOM 319 CA GLY 43 20.951 27.381 16.910 1.00 13.30 1ECO 420 ATOM 320 C GLY 43 21.227 26.784 15.531 1.00 13.05 1ECO 421 ATOM 321 O GLY 43 22.166 27.195 14.835 1.00 14.30 1ECO 422 ATOM 322 N LYS 44 20.411 25.825 15.154 1.00 13.83 1ECO 423 ATOM 323 CA LYS 44 20.657 25.062 13.918 1.00 17.58 1ECO 424 ATOM 324 C LYS 44 19.425 25.266 13.037 1.00 10.73 1ECO 425 ATOM 325 O LYS 44 18.417 25.836 13.477 1.00 11.88 1ECO 426 ATOM 326 CB LYS 44 20.881 23.584 14.218 1.00 14.20 1ECO 427 ATOM 327 CG LYS 44 22.203 23.266 14.886 1.00 20.70 1ECO 428 ATOM 328 CD LYS 44 22.489 21.767 14.844 1.00 21.33 1ECO 429 ATOM 329 CE LYS 44 23.861 21.449 15.408 0.00 0.00 2 1ECO 430 ATOM 330 NZ LYS 44 24.142 20.001 15.323 0.00 0.00 2 1ECO 431 ATOM 331 N ASP 45 19.527 24.801 11.807 1.00 13.60 1ECO 432 ATOM 332 CA ASP 45 18.509 25.101 10.800 1.00 10.50 1ECO 433 ATOM 333 C ASP 45 17.644 23.845 10.883 1.00 12.15 1ECO 434 ATOM 334 O ASP 45 18.122 22.726 10.647 1.00 10.77 1ECO 435 ATOM 335 CB ASP 45 19.172 25.352 9.431 1.00 11.70 1ECO 436 ATOM 336 CG ASP 45 18.247 24.995 8.296 1.00 9.26 1ECO 437 ATOM 337 OD1 ASP 45 18.548 24.295 7.346 1.00 12.50 1ECO 438 ATOM 338 OD2 ASP 45 17.119 25.398 8.399 1.00 11.41 1ECO 439 ATOM 339 N LEU 46 16.387 24.048 11.216 1.00 12.15 1ECO 440 ATOM 340 CA LEU 46 15.464 22.923 11.380 1.00 11.97 1ECO 441 ATOM 341 C LEU 46 15.408 22.023 10.146 1.00 9.59 1ECO 442 ATOM 342 O LEU 46 15.321 20.792 10.262 1.00 10.47 1ECO 443 ATOM 343 CB LEU 46 14.042 23.438 11.678 1.00 11.16 1ECO 444 ATOM 344 CG LEU 46 12.903 22.437 11.655 1.00 11.05 1ECO 445 ATOM 345 CD1 LEU 46 13.107 21.415 12.747 1.00 13.32 1ECO 446 ATOM 346 CD2 LEU 46 11.575 23.131 11.847 1.00 16.41 1ECO 447 ATOM 347 N GLU 47 15.457 22.651 8.985 1.00 11.39 1ECO 448 ATOM 348 CA GLU 47 15.415 21.906 7.721 1.00 14.07 1ECO 449 ATOM 349 C GLU 47 16.630 21.007 7.510 1.00 12.86 1ECO 450 ATOM 350 O GLU 47 16.534 19.951 6.868 1.00 17.39 1ECO 451 ATOM 351 CB GLU 47 15.340 22.850 6.490 1.00 15.04 1ECO 452 ATOM 352 CG GLU 47 14.073 23.718 6.361 1.00 18.26 1ECO 453 ATOM 353 CD GLU 47 12.708 22.937 6.511 1.00 13.06 1ECO 454 ATOM 354 OE1 GLU 47 11.797 23.372 7.150 1.00 18.27 1ECO 455 ATOM 355 OE2 GLU 47 12.797 21.887 5.873 1.00 20.65 1ECO 456 ATOM 356 N SER 48 17.758 21.439 8.052 1.00 13.85 1ECO 457 ATOM 357 CA SER 48 18.957 20.589 8.088 1.00 13.37 1ECO 458 ATOM 358 C SER 48 19.161 19.446 9.081 1.00 15.28 1ECO 459 ATOM 359 O SER 48 19.845 18.461 8.781 1.00 18.33 1ECO 460 ATOM 360 CB SER 48 20.195 21.423 8.316 1.00 15.05 1ECO 461 ATOM 361 OG SER 48 20.419 22.338 7.252 1.00 20.29 1ECO 462 ATOM 362 N ILE 49 18.566 19.597 10.247 1.00 13.59 1ECO 463 ATOM 363 CA ILE 49 18.636 18.546 11.268 1.00 14.46 1ECO 464 ATOM 364 C ILE 49 17.509 17.518 11.209 1.00 11.77 1ECO 465 ATOM 365 O ILE 49 17.609 16.434 11.794 1.00 11.89 1ECO 466 ATOM 366 CB ILE 49 18.574 19.131 12.702 1.00 10.78 1ECO 467 ATOM 367 CG1 ILE 49 17.236 19.858 12.997 1.00 15.69 1ECO 468 ATOM 368 CG2 ILE 49 19.836 19.994 12.744 1.00 17.60 1ECO 469 ATOM 369 CD1 ILE 49 17.136 20.415 14.434 1.00 12.62 1ECO 470 ATOM 370 N LYS 50 16.457 17.875 10.503 1.00 13.26 1ECO 471 ATOM 371 CA LYS 50 15.295 16.994 10.394 1.00 13.49 1ECO 472 ATOM 372 C LYS 50 15.544 15.569 9.919 1.00 20.82 1ECO 473 ATOM 373 O LYS 50 14.888 14.622 10.379 1.00 16.79 1ECO 474 ATOM 374 CB LYS 50 14.251 17.560 9.437 1.00 14.55 1ECO 475 ATOM 375 CG LYS 50 13.069 16.647 9.172 1.00 17.90 1ECO 476 ATOM 376 CD LYS 50 12.352 17.035 7.882 1.00 28.46 1ECO 477 ATOM 377 CE LYS 50 11.049 16.264 7.710 1.00 36.99 1ECO 478 ATOM 378 NZ LYS 50 10.376 16.638 6.448 0.00 0.00 2 1ECO 479 ATOM 379 N GLY 51 16.486 15.434 9.005 1.00 17.22 1ECO 480 ATOM 380 CA GLY 51 17.018 14.111 8.655 1.00 17.22 1ECO 481 ATOM 381 C GLY 51 18.257 13.446 9.257 1.00 13.04 1ECO 482 ATOM 382 O GLY 51 18.847 12.539 8.654 1.00 18.45 1ECO 483 ATOM 383 N THR 52 18.634 13.907 10.438 1.00 14.56 1ECO 484 ATOM 384 CA THR 52 19.834 13.383 11.108 1.00 13.12 1ECO 485 ATOM 385 C THR 52 19.436 12.386 12.195 1.00 13.26 1ECO 486 ATOM 386 O THR 52 18.274 12.349 12.629 1.00 11.90 1ECO 487 ATOM 387 CB THR 52 20.606 14.591 11.673 1.00 13.32 1ECO 488 ATOM 388 OG1 THR 52 19.749 15.105 12.689 1.00 12.84 1ECO 489 ATOM 389 CG2 THR 52 20.872 15.641 10.630 1.00 15.18 1ECO 490 ATOM 390 N ALA 53 20.405 11.593 12.617 1.00 12.75 1ECO 491 ATOM 391 CA ALA 53 20.151 10.578 13.645 1.00 10.30 1ECO 492 ATOM 392 C ALA 53 19.742 10.965 15.066 1.00 13.63 1ECO 493 ATOM 393 O ALA 53 18.925 10.279 15.700 1.00 12.92 1ECO 494 ATOM 394 CB ALA 53 21.489 9.833 13.775 1.00 11.68 1ECO 495 ATOM 395 N PRO 54 20.315 12.058 15.545 1.00 14.49 1ECO 496 ATOM 396 CA PRO 54 19.827 12.688 16.781 1.00 12.15 1ECO 497 ATOM 397 C PRO 54 18.376 13.164 16.825 1.00 9.05 1ECO 498 ATOM 398 O PRO 54 17.701 13.056 17.820 1.00 10.57 1ECO 499 ATOM 399 CB PRO 54 20.889 13.670 17.137 1.00 16.27 1ECO 500 ATOM 400 CG PRO 54 22.094 13.437 16.249 1.00 18.20 1ECO 501 ATOM 401 CD PRO 54 21.537 12.670 15.054 1.00 18.96 1ECO 502 ATOM 402 N PHE 55 17.921 13.688 15.703 1.00 11.17 1ECO 503 ATOM 403 CA PHE 55 16.527 14.132 15.592 1.00 10.48 1ECO 504 ATOM 404 C PHE 55 15.580 12.941 15.688 1.00 8.20 1ECO 505 ATOM 405 O PHE 55 14.548 13.003 16.373 1.00 9.59 1ECO 506 ATOM 406 CB PHE 55 16.337 14.870 14.282 1.00 10.24 1ECO 507 ATOM 407 CG PHE 55 15.090 15.695 14.169 1.00 9.68 1ECO 508 ATOM 408 CD1 PHE 55 15.131 16.993 14.529 1.00 13.70 1ECO 509 ATOM 409 CD2 PHE 55 13.928 15.191 13.637 1.00 10.97 1ECO 510 ATOM 410 CE1 PHE 55 13.987 17.835 14.432 1.00 9.64 1ECO 511 ATOM 411 CE2 PHE 55 12.794 16.058 13.502 1.00 9.16 1ECO 512 ATOM 412 CZ PHE 55 12.834 17.332 13.925 1.00 9.27 1ECO 513 ATOM 413 N GLU 56 15.942 11.876 14.999 1.00 10.27 1ECO 514 ATOM 414 CA GLU 56 15.111 10.667 14.995 1.00 14.33 1ECO 515 ATOM 415 C GLU 56 15.060 10.003 16.370 1.00 9.34 1ECO 516 ATOM 416 O GLU 56 14.008 9.498 16.792 1.00 9.29 1ECO 517 ATOM 417 CB GLU 56 15.637 9.606 13.987 1.00 13.88 1ECO 518 ATOM 418 CG GLU 56 15.056 8.182 14.111 1.00 14.51 1ECO 519 ATOM 419 CD GLU 56 14.483 7.579 12.774 1.00 25.82 1ECO 520 ATOM 420 OE1 GLU 56 13.399 7.076 12.723 1.00 45.48 1ECO 521 ATOM 421 OE2 GLU 56 15.325 7.742 11.892 1.00 22.04 1ECO 522 ATOM 422 N THR 57 16.196 10.013 17.044 1.00 10.98 1ECO 523 ATOM 423 CA THR 57 16.269 9.452 18.370 1.00 10.06 1ECO 524 ATOM 424 C THR 57 15.363 10.193 19.351 1.00 10.06 1ECO 525 ATOM 425 O THR 57 14.580 9.572 20.084 1.00 9.91 1ECO 526 ATOM 426 CB THR 57 17.740 9.516 18.808 1.00 12.96 1ECO 527 ATOM 427 OG1 THR 57 18.382 8.534 18.005 1.00 15.20 1ECO 528 ATOM 428 CG2 THR 57 17.914 9.201 20.265 1.00 13.77 1ECO 529 ATOM 429 N HIS 58 15.484 11.508 19.352 1.00 10.85 1ECO 530 ATOM 430 CA HIS 58 14.549 12.349 20.115 1.00 9.77 1ECO 531 ATOM 431 C HIS 58 13.077 12.172 19.749 1.00 9.07 1ECO 532 ATOM 432 O HIS 58 12.207 12.080 20.628 1.00 9.50 1ECO 533 ATOM 433 CB HIS 58 14.927 13.815 19.914 1.00 10.50 1ECO 534 ATOM 434 CG HIS 58 15.935 14.119 20.991 1.00 10.20 1ECO 535 ATOM 435 ND1 HIS 58 17.275 14.325 20.708 1.00 18.51 1ECO 536 ATOM 436 CD2 HIS 58 15.811 14.224 22.339 1.00 11.25 1ECO 537 ATOM 437 CE1 HIS 58 17.913 14.539 21.842 1.00 13.84 1ECO 538 ATOM 438 NE2 HIS 58 17.046 14.506 22.828 1.00 18.44 1ECO 539 ATOM 439 N ALA 59 12.822 12.130 18.463 1.00 9.72 1ECO 540 ATOM 440 CA ALA 59 11.440 12.075 17.973 1.00 9.96 1ECO 541 ATOM 441 C ALA 59 10.811 10.757 18.422 1.00 10.38 1ECO 542 ATOM 442 O ALA 59 9.625 10.707 18.783 1.00 8.65 1ECO 543 ATOM 443 CB ALA 59 11.429 12.058 16.469 1.00 9.03 1ECO 544 ATOM 444 N ASN 60 11.612 9.711 18.392 1.00 10.14 1ECO 545 ATOM 445 CA ASN 60 11.119 8.373 18.746 1.00 11.01 1ECO 546 ATOM 446 C ASN 60 10.748 8.278 20.225 1.00 8.61 1ECO 547 ATOM 447 O ASN 60 9.751 7.634 20.589 1.00 9.63 1ECO 548 ATOM 448 CB ASN 60 12.187 7.313 18.404 1.00 10.19 1ECO 549 ATOM 449 CG ASN 60 12.079 6.867 17.002 1.00 9.51 1ECO 550 ATOM 450 AD1 ASN 60 13.009 6.806 16.221 1.00 24.73 1ECO 551 ATOM 451 AD2 ASN 60 10.818 6.434 16.604 1.00 18.97 1ECO 552 ATOM 452 N ARG 61 11.556 8.920 21.058 1.00 10.57 1ECO 553 ATOM 453 CA ARG 61 11.224 9.045 22.486 1.00 9.45 1ECO 554 ATOM 454 C ARG 61 9.952 9.834 22.796 1.00 9.96 1ECO 555 ATOM 455 O ARG 61 9.165 9.455 23.678 1.00 9.57 1ECO 556 ATOM 456 CB ARG 61 12.356 9.737 23.267 1.00 11.12 1ECO 557 ATOM 457 CG ARG 61 13.621 8.878 23.440 1.00 13.07 1ECO 558 ATOM 458 CD ARG 61 14.611 9.594 24.332 1.00 11.34 1ECO 559 ATOM 459 NE ARG 61 15.923 8.932 24.296 1.00 22.69 1ECO 560 ATOM 460 CZ ARG 61 17.079 9.601 24.163 1.00 12.62 1ECO 561 ATOM 461 NH1 ARG 61 17.100 10.940 24.146 1.00 19.08 1ECO 562 ATOM 462 NH2 ARG 61 18.204 8.918 24.055 1.00 20.23 1ECO 563 ATOM 463 N ILE 62 9.772 10.919 22.072 1.00 11.61 1ECO 564 ATOM 464 CA ILE 62 8.799 11.950 22.483 1.00 10.35 1ECO 565 ATOM 465 C ILE 62 7.454 11.442 21.972 1.00 10.09 1ECO 566 ATOM 466 O ILE 62 6.467 11.382 22.721 1.00 8.66 1ECO 567 ATOM 467 CB ILE 62 9.139 13.323 21.862 1.00 10.85 1ECO 568 ATOM 468 CG1 ILE 62 10.338 14.016 22.556 1.00 10.03 1ECO 569 ATOM 469 CG2 ILE 62 7.790 14.042 21.954 1.00 10.49 1ECO 570 ATOM 470 CD1 ILE 62 10.981 15.137 21.708 1.00 10.38 1ECO 571 ATOM 471 N VAL 63 7.434 11.084 20.707 1.00 10.52 1ECO 572 ATOM 472 CA VAL 63 6.208 10.552 20.099 1.00 9.22 1ECO 573 ATOM 473 C VAL 63 5.888 9.133 20.567 1.00 10.44 1ECO 574 ATOM 474 O VAL 63 4.717 8.725 20.608 1.00 9.61 1ECO 575 ATOM 475 CB VAL 63 6.341 10.566 18.582 1.00 11.80 1ECO 576 ATOM 476 CG1 VAL 63 5.192 9.852 17.818 1.00 10.99 1ECO 577 ATOM 477 CG2 VAL 63 6.610 11.944 18.049 1.00 10.70 1ECO 578 ATOM 478 N GLY 64 6.933 8.404 20.914 1.00 10.74 1ECO 579 ATOM 479 CA GLY 64 6.762 7.153 21.668 1.00 13.12 1ECO 580 ATOM 480 C GLY 64 5.966 7.191 22.975 1.00 8.93 1ECO 581 ATOM 481 O GLY 64 5.154 6.293 23.250 1.00 9.36 1ECO 582 ATOM 482 N PHE 65 6.211 8.229 23.761 1.00 10.19 1ECO 583 ATOM 483 CA PHE 65 5.437 8.444 24.993 1.00 11.49 1ECO 584 ATOM 484 C PHE 65 4.012 8.917 24.719 1.00 9.76 1ECO 585 ATOM 485 O PHE 65 3.060 8.506 25.398 1.00 9.29 1ECO 586 ATOM 486 CB PHE 65 6.153 9.454 25.863 1.00 11.08 1ECO 587 ATOM 487 CG PHE 65 5.721 9.433 27.298 1.00 10.28 1ECO 588 ATOM 488 CD1 PHE 65 4.981 10.458 27.776 1.00 12.46 1ECO 589 ATOM 489 CD2 PHE 65 5.982 8.367 28.118 1.00 11.40 1ECO 590 ATOM 490 CE1 PHE 65 4.529 10.489 29.127 1.00 15.72 1ECO 591 ATOM 491 CE2 PHE 65 5.484 8.389 29.467 1.00 13.87 1ECO 592 ATOM 492 CZ PHE 65 4.807 9.447 29.946 1.00 13.19 1ECO 593 ATOM 493 N PHE 66 3.886 9.777 23.728 1.00 11.64 1ECO 594 ATOM 494 CA PHE 66 2.563 10.248 23.306 1.00 12.12 1ECO 595 ATOM 495 C PHE 66 1.757 9.036 22.842 1.00 9.51 1ECO 596 ATOM 496 O PHE 66 .561 8.913 23.142 1.00 10.68 1ECO 597 ATOM 497 CB PHE 66 2.726 11.278 22.205 1.00 12.80 1ECO 598 ATOM 498 CG PHE 66 1.457 11.943 21.750 1.00 11.26 1ECO 599 ATOM 499 CD1 PHE 66 .879 12.873 22.543 1.00 17.52 1ECO 600 ATOM 500 CD2 PHE 66 .904 11.694 20.515 1.00 13.08 1ECO 601 ATOM 501 CE1 PHE 66 -.314 13.553 22.164 1.00 13.85 1ECO 602 ATOM 502 CE2 PHE 66 -.275 12.416 20.123 1.00 16.83 1ECO 603 ATOM 503 CZ PHE 66 -.870 13.292 20.955 1.00 14.33 1ECO 604 ATOM 504 N SER 67 2.424 8.164 22.119 1.00 11.45 1ECO 605 ATOM 505 CA SER 67 1.801 6.902 21.698 1.00 10.35 1ECO 606 ATOM 506 C SER 67 1.306 6.005 22.835 1.00 11.87 1ECO 607 ATOM 507 O SER 67 .240 5.377 22.728 1.00 10.90 1ECO 608 ATOM 508 CB SER 67 2.768 6.079 20.879 1.00 12.08 1ECO 609 ATOM 509 OG SER 67 2.129 4.959 20.269 1.00 15.21 1ECO 610 ATOM 510 N LYS 68 2.088 5.954 23.904 1.00 10.49 1ECO 611 ATOM 511 CA LYS 68 1.658 5.253 25.123 1.00 9.75 1ECO 612 ATOM 512 C LYS 68 .327 5.833 25.594 1.00 9.90 1ECO 613 ATOM 513 O LYS 68 -.571 5.098 26.033 1.00 9.56 1ECO 614 ATOM 514 CB LYS 68 2.693 5.380 26.231 1.00 11.30 1ECO 615 ATOM 515 CG LYS 68 2.330 4.657 27.513 1.00 9.72 1ECO 616 ATOM 516 CD LYS 68 3.579 4.298 28.306 1.00 15.35 1ECO 617 ATOM 517 CE LYS 68 3.301 4.275 29.798 1.00 14.59 1ECO 618 ATOM 518 NZ LYS 68 1.920 3.815 30.069 1.00 13.42 1ECO 619 ATOM 519 N ILE 69 .217 7.146 25.498 1.00 11.49 1ECO 620 ATOM 520 CA ILE 69 -.890 7.860 26.150 1.00 12.89 1ECO 621 ATOM 521 C ILE 69 -2.140 7.591 25.315 1.00 12.08 1ECO 622 ATOM 522 O ILE 69 -3.221 7.320 25.857 1.00 11.51 1ECO 623 ATOM 523 CB ILE 69 -.628 9.383 26.214 1.00 10.93 1ECO 624 ATOM 524 CG1 ILE 69 .317 9.779 27.376 1.00 15.73 1ECO 625 ATOM 525 CG2 ILE 69 -2.052 9.940 26.273 1.00 21.19 1ECO 626 ATOM 526 CD1 ILE 69 .843 11.224 27.279 1.00 21.76 1ECO 627 ATOM 527 N ILE 70 -1.972 7.671 24.011 1.00 10.99 1ECO 628 ATOM 528 CA ILE 70 -3.090 7.426 23.096 1.00 9.09 1ECO 629 ATOM 529 C ILE 70 -3.577 5.990 23.199 1.00 11.69 1ECO 630 ATOM 530 O ILE 70 -4.786 5.726 23.124 1.00 11.19 1ECO 631 ATOM 531 CB ILE 70 -2.687 7.669 21.618 1.00 11.78 1ECO 632 ATOM 532 CG1 ILE 70 -2.385 9.160 21.312 1.00 11.33 1ECO 633 ATOM 533 CG2 ILE 70 -3.868 7.051 20.862 1.00 14.60 1ECO 634 ATOM 534 CD1 ILE 70 -3.383 10.142 21.967 1.00 19.80 1ECO 635 ATOM 535 N GLY 71 -2.646 5.076 23.370 1.00 13.81 1ECO 636 ATOM 536 CA GLY 71 -2.983 3.663 23.549 1.00 10.90 1ECO 637 ATOM 537 C GLY 71 -3.759 3.266 24.794 1.00 12.50 1ECO 638 ATOM 538 O GLY 71 -4.473 2.254 24.789 1.00 15.00 1ECO 639 ATOM 539 N GLU 72 -3.635 4.052 25.843 1.00 11.19 1ECO 640 ATOM 540 CA GLU 72 -4.300 3.766 27.113 1.00 11.51 1ECO 641 ATOM 541 C GLU 72 -5.497 4.608 27.557 1.00 11.32 1ECO 642 ATOM 542 O GLU 72 -5.937 4.530 28.712 1.00 11.89 1ECO 643 ATOM 543 CB GLU 72 -3.349 3.867 28.324 1.00 12.38 1ECO 644 ATOM 544 CG GLU 72 -2.916 5.286 28.732 1.00 10.92 1ECO 645 ATOM 545 CD GLU 72 -1.507 5.368 29.408 1.00 15.74 1ECO 646 ATOM 546 OE1 GLU 72 -.918 4.391 29.751 1.00 12.98 1ECO 647 ATOM 547 OE2 GLU 72 -1.196 6.554 29.478 1.00 13.32 1ECO 648 ATOM 548 N LEU 73 -6.003 5.400 26.637 1.00 14.11 1ECO 649 ATOM 549 CA LEU 73 -7.134 6.288 26.945 1.00 11.07 1ECO 650 ATOM 550 C LEU 73 -8.230 5.358 27.464 1.00 11.67 1ECO 651 ATOM 551 O LEU 73 -8.424 4.242 26.950 1.00 10.77 1ECO 652 ATOM 552 CB LEU 73 -7.555 7.062 25.676 1.00 10.37 1ECO 653 ATOM 553 CG LEU 73 -6.548 8.005 25.049 1.00 11.70 1ECO 654 ATOM 554 CD1 LEU 73 -6.960 8.302 23.634 1.00 11.35 1ECO 655 ATOM 555 CD2 LEU 73 -6.461 9.275 25.846 1.00 11.72 1ECO 656 ATOM 556 N PRO 74 -8.938 5.838 28.467 1.00 14.05 1 1ECO 657 ATOM 557 CA PRO 74 -8.610 7.160 29.044 1.00 11.69 1 1ECO 658 ATOM 558 C PRO 74 -7.805 7.283 30.340 1.00 13.18 1 1ECO 659 ATOM 559 O PRO 74 -7.885 8.300 31.041 1.00 14.00 1 1ECO 660 ATOM 560 CB PRO 74 -9.940 7.680 29.501 1.00 14.95 1 1ECO 661 ATOM 561 CG PRO 74 -10.815 6.482 29.828 1.00 18.32 1 1ECO 662 ATOM 562 CD PRO 74 -10.112 5.314 29.143 1.00 12.64 1 1ECO 663 ATOM 563 N ASN 75 -7.043 6.248 30.639 1.00 13.55 1ECO 664 ATOM 564 CA ASN 75 -6.437 6.108 31.973 1.00 12.30 1ECO 665 ATOM 565 C ASN 75 -5.063 6.703 31.831 1.00 10.31 1ECO 666 ATOM 566 O ASN 75 -4.054 5.983 31.816 1.00 13.42 1ECO 667 ATOM 567 CB ASN 75 -6.426 4.620 32.384 1.00 15.30 1ECO 668 ATOM 568 CG ASN 75 -5.496 4.383 33.539 1.00 13.76 1ECO 669 ATOM 569 AD1 ASN 75 -4.679 3.483 33.598 1.00 17.56 1ECO 670 ATOM 570 AD2 ASN 75 -5.560 5.319 34.558 1.00 17.36 1ECO 671 ATOM 571 N ILE 76 -5.022 8.021 31.726 1.00 13.37 1ECO 672 ATOM 572 CA ILE 76 -3.764 8.718 31.472 1.00 13.24 1ECO 673 ATOM 573 C ILE 76 -3.068 9.500 32.588 1.00 9.73 1ECO 674 ATOM 574 O ILE 76 -1.957 10.015 32.402 1.00 10.63 1ECO 675 ATOM 575 CB ILE 76 -3.922 9.789 30.367 1.00 11.50 1ECO 676 ATOM 576 CG1 ILE 76 -4.836 10.966 30.790 1.00 12.91 1ECO 677 ATOM 577 CG2 ILE 76 -4.406 8.947 29.184 1.00 11.45 1ECO 678 ATOM 578 CD1 ILE 76 -5.027 12.035 29.689 1.00 16.14 1ECO 679 ATOM 579 N GLU 77 -3.728 9.581 33.732 1.00 10.91 1ECO 680 ATOM 580 CA GLU 77 -3.233 10.413 34.839 1.00 13.10 1ECO 681 ATOM 581 C GLU 77 -1.794 10.182 35.303 1.00 9.75 1ECO 682 ATOM 582 O GLU 77 -1.049 11.133 35.563 1.00 10.59 1ECO 683 ATOM 583 CB GLU 77 -4.088 10.229 36.123 1.00 15.57 1ECO 684 ATOM 584 CG GLU 77 -3.750 11.139 37.316 1.00 16.32 1ECO 685 ATOM 585 CD GLU 77 -4.986 11.862 37.967 1.00 30.18 1ECO 686 ATOM 586 OE1 GLU 77 -5.938 11.257 38.351 0.00 0.00 2 1ECO 687 ATOM 587 OE2 GLU 77 -4.752 13.068 37.983 1.00 24.00 1ECO 688 ATOM 588 N ALA 78 -1.421 8.921 35.403 1.00 12.35 1ECO 689 ATOM 589 CA ALA 78 -.110 8.555 35.963 1.00 13.98 1ECO 690 ATOM 590 C ALA 78 .981 9.031 35.001 1.00 9.38 1ECO 691 ATOM 591 O ALA 78 2.035 9.516 35.426 1.00 11.07 1ECO 692 ATOM 592 CB ALA 78 .020 7.028 36.037 1.00 12.50 1ECO 693 ATOM 593 N ASP 79 .710 8.883 33.724 1.00 12.07 1ECO 694 ATOM 594 CA ASP 79 1.673 9.299 32.693 1.00 10.35 1ECO 695 ATOM 595 C ASP 79 1.798 10.814 32.542 1.00 10.48 1ECO 696 ATOM 596 O ASP 79 2.885 11.337 32.268 1.00 9.97 1ECO 697 ATOM 597 CB ASP 79 1.269 8.692 31.331 1.00 10.28 1ECO 698 ATOM 598 CG ASP 79 1.681 7.249 31.225 1.00 11.03 1ECO 699 ATOM 599 OD1 ASP 79 2.536 6.722 31.906 1.00 12.71 1ECO 700 ATOM 600 OD2 ASP 79 1.055 6.584 30.437 1.00 11.65 1ECO 701 ATOM 601 N VAL 80 .685 11.497 32.723 1.00 12.40 1ECO 702 ATOM 602 CA VAL 80 .696 12.966 32.781 1.00 10.11 1ECO 703 ATOM 603 C VAL 80 1.520 13.457 33.975 1.00 9.76 1ECO 704 ATOM 604 O VAL 80 2.265 14.437 33.871 1.00 10.17 1ECO 705 ATOM 605 CB VAL 80 -.732 13.487 32.869 1.00 11.73 1ECO 706 ATOM 606 CG1 VAL 80 -.859 14.973 33.269 1.00 12.71 1ECO 707 ATOM 607 CG2 VAL 80 -1.536 13.156 31.636 1.00 14.80 1ECO 708 ATOM 608 N ASN 81 1.373 12.767 35.093 1.00 10.69 1ECO 709 ATOM 609 CA ASN 81 2.195 13.059 36.280 1.00 12.81 1ECO 710 ATOM 610 C ASN 81 3.696 12.930 36.013 1.00 10.96 1ECO 711 ATOM 611 O ASN 81 4.488 13.796 36.404 1.00 9.79 1ECO 712 ATOM 612 CB ASN 81 1.798 12.108 37.427 1.00 11.76 1ECO 713 ATOM 613 CG ASN 81 .582 12.611 38.160 1.00 11.45 1ECO 714 ATOM 614 AD1 ASN 81 .063 13.698 37.983 1.00 11.15 1ECO 715 ATOM 615 AD2 ASN 81 -.001 11.709 39.042 1.00 13.33 1ECO 716 ATOM 616 N THR 82 4.064 11.851 35.355 1.00 12.04 1ECO 717 ATOM 617 CA THR 82 5.459 11.668 34.921 1.00 10.48 1ECO 718 ATOM 618 C THR 82 5.951 12.739 33.949 1.00 10.55 1ECO 719 ATOM 619 O THR 82 7.075 13.242 34.070 1.00 11.05 1ECO 720 ATOM 620 CB THR 82 5.552 10.272 34.279 1.00 12.01 1ECO 721 ATOM 621 OG1 THR 82 5.269 9.380 35.349 1.00 10.94 1ECO 722 ATOM 622 CG2 THR 82 6.911 9.991 33.703 1.00 15.04 1ECO 723 ATOM 623 N PHE 83 5.105 13.074 32.999 1.00 11.09 1ECO 724 ATOM 624 CA PHE 83 5.387 14.194 32.095 1.00 11.97 1ECO 725 ATOM 625 C PHE 83 5.656 15.510 32.826 1.00 13.94 1ECO 726 ATOM 626 O PHE 83 6.625 16.216 32.522 1.00 10.48 1ECO 727 ATOM 627 CB PHE 83 4.218 14.375 31.143 1.00 9.94 1ECO 728 ATOM 628 CG PHE 83 4.340 15.676 30.410 1.00 10.49 1ECO 729 ATOM 629 CD1 PHE 83 5.136 15.749 29.316 1.00 10.32 1ECO 730 ATOM 630 CD2 PHE 83 3.604 16.776 30.761 1.00 11.04 1ECO 731 ATOM 631 CE1 PHE 83 5.285 16.950 28.569 1.00 10.03 1ECO 732 ATOM 632 CE2 PHE 83 3.727 17.973 29.977 1.00 12.67 1ECO 733 ATOM 633 CZ PHE 83 4.577 18.046 28.934 1.00 11.44 1ECO 734 ATOM 634 N VAL 84 4.794 15.822 33.778 1.00 11.10 1ECO 735 ATOM 635 CA VAL 84 4.932 17.066 34.549 1.00 12.53 1ECO 736 ATOM 636 C VAL 84 6.237 17.053 35.352 1.00 11.04 1ECO 737 ATOM 637 O VAL 84 6.943 18.065 35.432 1.00 11.18 1ECO 738 ATOM 638 CB VAL 84 3.736 17.230 35.476 1.00 10.87 1ECO 739 ATOM 639 CG1 VAL 84 3.929 18.255 36.617 1.00 13.27 1ECO 740 ATOM 640 CG2 VAL 84 2.456 17.458 34.713 1.00 12.58 1ECO 741 ATOM 641 N ALA 85 6.537 15.908 35.936 1.00 12.13 1ECO 742 ATOM 642 CA ALA 85 7.783 15.748 36.703 1.00 14.29 1ECO 743 ATOM 643 C ALA 85 9.080 16.021 35.940 1.00 11.14 1ECO 744 ATOM 644 O ALA 85 10.040 16.572 36.491 1.00 12.60 1ECO 745 ATOM 645 CB ALA 85 7.846 14.278 37.141 1.00 13.62 1ECO 746 ATOM 646 N SER 86 9.091 15.632 34.684 1.00 12.11 1ECO 747 ATOM 647 CA SER 86 10.289 15.802 33.851 1.00 13.37 1ECO 748 ATOM 648 C SER 86 10.314 17.147 33.124 1.00 15.03 1ECO 749 ATOM 649 O SER 86 11.386 17.690 32.833 1.00 14.90 1ECO 750 ATOM 650 CB SER 86 10.368 14.702 32.813 1.00 12.46 1ECO 751 ATOM 651 OG SER 86 9.247 14.710 31.936 1.00 14.10 1ECO 752 ATOM 652 N HIS 87 9.135 17.663 32.844 1.00 12.99 1ECO 753 ATOM 653 CA HIS 87 9.018 18.945 32.141 1.00 12.60 1ECO 754 ATOM 654 C HIS 87 8.787 20.268 32.875 1.00 11.40 1ECO 755 ATOM 655 O HIS 87 9.165 21.339 32.386 1.00 11.84 1ECO 756 ATOM 656 CB HIS 87 7.866 18.855 31.137 1.00 13.53 1ECO 757 ATOM 657 CG HIS 87 8.306 18.068 29.925 1.00 14.76 1ECO 758 ATOM 658 ND1 HIS 87 8.559 16.704 29.976 1.00 12.22 1ECO 759 ATOM 659 CD2 HIS 87 8.565 18.447 28.646 1.00 11.56 1ECO 760 ATOM 660 CE1 HIS 87 8.952 16.302 28.785 1.00 11.62 1ECO 761 ATOM 661 NE2 HIS 87 8.938 17.330 27.968 1.00 10.97 1ECO 762 ATOM 662 N LYS 88 8.168 20.174 34.040 1.00 14.13 1ECO 763 ATOM 663 CA LYS 88 7.986 21.351 34.901 1.00 19.16 1ECO 764 ATOM 664 C LYS 88 9.273 22.095 35.268 1.00 21.26 1ECO 765 ATOM 665 O LYS 88 9.319 23.332 35.245 1.00 18.85 1ECO 766 ATOM 666 CB LYS 88 7.316 20.977 36.218 1.00 21.39 1ECO 767 ATOM 667 CG LYS 88 6.861 22.156 37.047 1.00 24.30 1ECO 768 ATOM 668 CD LYS 88 5.766 21.742 38.026 1.00 24.95 1ECO 769 ATOM 669 CE LYS 88 5.913 22.457 39.358 0.00 0.00 2 1ECO 770 ATOM 670 NZ LYS 88 4.905 21.976 40.329 0.00 0.00 2 1ECO 771 ATOM 671 N PRO 89 10.301 21.334 35.603 1.00 16.14 1ECO 772 ATOM 672 CA PRO 89 11.638 21.909 35.819 1.00 18.32 1ECO 773 ATOM 673 C PRO 89 12.434 22.453 34.633 1.00 18.43 1ECO 774 ATOM 674 O PRO 89 13.416 23.183 34.806 1.00 21.67 1ECO 775 ATOM 675 CB PRO 89 12.419 20.787 36.423 1.00 22.16 1ECO 776 ATOM 676 CG PRO 89 11.470 19.718 36.937 1.00 21.81 1ECO 777 ATOM 677 CD PRO 89 10.141 20.042 36.262 1.00 17.63 1ECO 778 ATOM 678 N ARG 90 12.001 22.090 33.447 1.00 15.50 1ECO 779 ATOM 679 CA ARG 90 12.525 22.717 32.227 1.00 16.21 1ECO 780 ATOM 680 C ARG 90 11.840 24.023 31.824 1.00 11.13 1ECO 781 ATOM 681 O ARG 90 12.153 24.606 30.777 1.00 14.21 1ECO 782 ATOM 682 CB ARG 90 12.400 21.770 31.011 1.00 16.55 1ECO 783 ATOM 683 CG ARG 90 12.941 20.349 31.251 1.00 15.49 1ECO 784 ATOM 684 CD ARG 90 12.824 19.522 29.981 1.00 10.84 1ECO 785 ATOM 685 NE ARG 90 13.725 18.362 30.017 1.00 13.91 1ECO 786 ATOM 686 CZ ARG 90 13.294 17.082 29.919 1.00 13.39 1ECO 787 ATOM 687 NH1 ARG 90 12.054 16.800 29.487 1.00 13.39 1ECO 788 ATOM 688 NH2 ARG 90 14.118 16.108 30.251 1.00 15.89 1ECO 789 ATOM 689 N GLY 91 10.917 24.463 32.660 1.00 13.75 1ECO 790 ATOM 690 CA GLY 91 10.182 25.708 32.390 1.00 12.98 1ECO 791 ATOM 691 C GLY 91 9.231 25.813 31.202 1.00 15.40 1ECO 792 ATOM 692 O GLY 91 9.004 26.905 30.662 1.00 13.33 1ECO 793 ATOM 693 N VAL 92 8.690 24.679 30.816 1.00 13.84 1ECO 794 ATOM 694 CA VAL 92 7.739 24.651 29.706 1.00 11.39 1ECO 795 ATOM 695 C VAL 92 6.551 25.533 30.086 1.00 11.33 1ECO 796 ATOM 696 O VAL 92 5.999 25.416 31.188 1.00 12.29 1ECO 797 ATOM 697 CB VAL 92 7.322 23.206 29.422 1.00 12.49 1ECO 798 ATOM 698 CG1 VAL 92 6.155 23.045 28.410 1.00 13.92 1ECO 799 ATOM 699 CG2 VAL 92 8.493 22.326 29.080 1.00 13.45 1ECO 800 ATOM 700 N THR 93 6.176 26.405 29.172 1.00 13.50 1ECO 801 ATOM 701 CA THR 93 4.992 27.250 29.373 1.00 10.42 1ECO 802 ATOM 702 C THR 93 3.703 26.779 28.707 1.00 11.25 1ECO 803 ATOM 703 O THR 93 3.724 25.902 27.831 1.00 10.94 1ECO 804 ATOM 704 CB THR 93 5.356 28.634 28.858 1.00 12.96 1ECO 805 ATOM 705 OG1 THR 93 5.329 28.510 27.442 1.00 12.09 1ECO 806 ATOM 706 CG2 THR 93 6.702 29.105 29.319 1.00 13.66 1ECO 807 ATOM 707 N HIS 94 2.617 27.344 29.131 1.00 12.88 1ECO 808 ATOM 708 CA HIS 94 1.307 27.015 28.541 1.00 14.90 1ECO 809 ATOM 709 C HIS 94 1.259 27.388 27.061 1.00 13.09 1ECO 810 ATOM 710 O HIS 94 .652 26.676 26.246 1.00 12.58 1ECO 811 ATOM 711 CB HIS 94 .219 27.745 29.312 1.00 13.43 1ECO 812 ATOM 712 CG HIS 94 -.288 27.100 30.575 1.00 16.52 1ECO 813 ATOM 713 ND1 HIS 94 -1.579 27.294 31.037 1.00 18.39 1ECO 814 ATOM 714 CD2 HIS 94 .320 26.295 31.481 1.00 13.50 1ECO 815 ATOM 715 CE1 HIS 94 -1.724 26.637 32.170 1.00 22.59 1ECO 816 ATOM 716 NE2 HIS 94 -.601 26.011 32.437 1.00 15.47 1ECO 817 ATOM 717 N ASP 95 1.896 28.506 26.739 1.00 12.26 1ECO 818 ATOM 718 CA ASP 95 2.011 28.925 25.338 1.00 12.87 1ECO 819 ATOM 719 C ASP 95 2.680 27.864 24.469 1.00 10.99 1ECO 820 ATOM 720 O ASP 95 2.200 27.548 23.369 1.00 10.64 1ECO 821 ATOM 721 CB ASP 95 2.811 30.239 25.247 1.00 17.67 1ECO 822 ATOM 722 CG ASP 95 1.992 31.407 25.724 1.00 20.32 1ECO 823 ATOM 723 OD1 ASP 95 2.445 32.392 26.271 0.00 0.00 2 1ECO 824 ATOM 724 OD2 ASP 95 .634 31.340 25.441 1.00 18.42 1ECO 825 ATOM 725 N GLN 96 3.767 27.348 24.974 1.00 13.19 1ECO 826 ATOM 726 CA GLN 96 4.495 26.316 24.245 1.00 11.65 1ECO 827 ATOM 727 C GLN 96 3.689 25.028 24.104 1.00 12.51 1ECO 828 ATOM 728 O GLN 96 3.681 24.396 23.038 1.00 10.42 1ECO 829 ATOM 729 CB GLN 96 5.784 26.051 24.965 1.00 10.48 1ECO 830 ATOM 730 CG GLN 96 6.808 27.064 24.706 1.00 11.81 1ECO 831 ATOM 731 CD GLN 96 8.070 26.943 25.564 1.00 12.99 1ECO 832 ATOM 732 AE1 GLN 96 9.156 27.394 25.099 1.00 14.19 1ECO 833 ATOM 733 AE2 GLN 96 7.977 26.333 26.681 1.00 12.20 1ECO 834 ATOM 734 N LEU 97 3.025 24.657 25.185 1.00 11.93 1ECO 835 ATOM 735 CA LEU 97 2.138 23.489 25.157 1.00 10.04 1ECO 836 ATOM 736 C LEU 97 1.034 23.601 24.111 1.00 9.83 1ECO 837 ATOM 737 O LEU 97 .740 22.636 23.391 1.00 9.81 1ECO 838 ATOM 738 CB LEU 97 1.480 23.282 26.533 1.00 11.50 1ECO 839 ATOM 739 CG LEU 97 1.917 22.088 27.353 1.00 26.02 1ECO 840 ATOM 740 CD1 LEU 97 3.127 21.453 26.710 1.00 19.96 1ECO 841 ATOM 741 CD2 LEU 97 2.240 22.506 28.762 1.00 12.87 1ECO 842 ATOM 742 N ASN 98 .439 24.778 24.043 1.00 12.33 1ECO 843 ATOM 743 CA ASN 98 -.551 25.038 23.008 1.00 13.10 1ECO 844 ATOM 744 C ASN 98 -.067 25.081 21.564 1.00 14.35 1ECO 845 ATOM 745 O ASN 98 -.816 24.748 20.633 1.00 10.65 1ECO 846 ATOM 746 CB ASN 98 -1.223 26.388 23.282 1.00 12.27 1ECO 847 ATOM 747 CG ASN 98 -2.276 26.265 24.348 1.00 16.76 1ECO 848 ATOM 748 AD1 ASN 98 -2.664 27.178 25.046 1.00 23.44 1ECO 849 ATOM 749 AD2 ASN 98 -2.870 25.009 24.467 1.00 17.66 1ECO 850 ATOM 750 N ASN 99 1.177 25.490 21.399 1.00 13.32 1ECO 851 ATOM 751 CA ASN 99 1.835 25.398 20.090 1.00 12.73 1ECO 852 ATOM 752 C ASN 99 2.216 23.976 19.686 1.00 12.60 1ECO 853 ATOM 753 O ASN 99 2.202 23.630 18.499 1.00 11.01 1ECO 854 ATOM 754 CB ASN 99 3.104 26.266 20.072 1.00 11.09 1ECO 855 ATOM 755 CG ASN 99 2.782 27.700 20.162 1.00 15.12 1ECO 856 ATOM 756 AD1 ASN 99 3.528 28.553 20.589 1.00 12.88 1ECO 857 ATOM 757 AD2 ASN 99 1.542 28.057 19.649 1.00 16.25 1ECO 858 ATOM 758 N PHE 100 2.550 23.175 20.683 1.00 13.87 1ECO 859 ATOM 759 CA PHE 100 2.720 21.727 20.459 1.00 10.83 1ECO 860 ATOM 760 C PHE 100 1.424 21.141 19.906 1.00 9.36 1ECO 861 ATOM 761 O PHE 100 1.438 20.376 18.934 1.00 9.67 1ECO 862 ATOM 762 CB PHE 100 3.099 21.065 21.771 1.00 11.33 1ECO 863 ATOM 763 CG PHE 100 3.468 19.613 21.669 1.00 12.16 1ECO 864 ATOM 764 CD1 PHE 100 2.489 18.691 21.485 1.00 12.00 1ECO 865 ATOM 765 CD2 PHE 100 4.772 19.194 21.669 1.00 15.30 1ECO 866 ATOM 766 CE1 PHE 100 2.777 17.302 21.366 1.00 13.99 1ECO 867 ATOM 767 CE2 PHE 100 5.055 17.796 21.505 1.00 14.20 1ECO 868 ATOM 768 CZ PHE 100 4.068 16.889 21.392 1.00 15.72 1ECO 869 ATOM 769 N ARG 101 .326 21.511 20.536 1.00 11.12 1ECO 870 ATOM 770 CA ARG 101 -.987 21.012 20.110 1.00 10.37 1ECO 871 ATOM 771 C ARG 101 -1.294 21.473 18.692 1.00 11.67 1ECO 872 ATOM 772 O ARG 101 -1.724 20.675 17.843 1.00 9.79 1ECO 873 ATOM 773 CB ARG 101 -2.110 21.503 21.043 1.00 10.34 1ECO 874 ATOM 774 CG ARG 101 -3.526 21.412 20.439 1.00 12.76 1ECO 875 ATOM 775 CD ARG 101 -4.569 21.604 21.521 1.00 10.43 1ECO 876 ATOM 776 NE ARG 101 -5.867 21.037 21.116 1.00 11.54 1ECO 877 ATOM 777 CZ ARG 101 -6.946 21.013 21.919 1.00 10.30 1ECO 878 ATOM 778 NH1 ARG 101 -6.828 21.232 23.235 1.00 12.54 1ECO 879 ATOM 779 NH2 ARG 101 -8.123 20.768 21.390 1.00 12.42 1ECO 880 ATOM 780 N ALA 102 -1.072 22.755 18.452 1.00 11.40 1ECO 881 ATOM 781 CA ALA 102 -1.302 23.323 17.147 1.00 11.75 1ECO 882 ATOM 782 C ALA 102 -.444 22.683 16.055 1.00 10.49 1ECO 883 ATOM 783 O ALA 102 -.921 22.428 14.940 1.00 11.49 1ECO 884 ATOM 784 CB ALA 102 -.890 24.786 17.187 1.00 11.81 1ECO 885 ATOM 785 N GLY 103 .811 22.435 16.390 1.00 12.99 1ECO 886 ATOM 786 CA GLY 103 1.726 21.757 15.453 1.00 11.53 1ECO 887 ATOM 787 C GLY 103 1.278 20.332 15.131 1.00 9.57 1ECO 888 ATOM 788 O GLY 103 1.298 19.908 13.967 1.00 10.02 1ECO 889 ATOM 789 N PHE 104 .885 19.617 16.164 1.00 10.85 1ECO 890 ATOM 790 CA PHE 104 .421 18.233 15.990 1.00 12.37 1ECO 891 ATOM 791 C PHE 104 -.802 18.191 15.076 1.00 11.57 1ECO 892 ATOM 792 O PHE 104 -.893 17.348 14.172 1.00 10.84 1ECO 893 ATOM 793 CB PHE 104 .101 17.637 17.340 1.00 11.07 1ECO 894 ATOM 794 CG PHE 104 -.472 16.252 17.216 1.00 14.04 1ECO 895 ATOM 795 CD1 PHE 104 -1.778 16.046 17.491 1.00 12.06 1ECO 896 ATOM 796 CD2 PHE 104 .266 15.206 16.733 1.00 13.07 1ECO 897 ATOM 797 CE1 PHE 104 -2.383 14.764 17.374 1.00 12.88 1ECO 898 ATOM 798 CE2 PHE 104 -.364 13.924 16.577 1.00 14.37 1ECO 899 ATOM 799 CZ PHE 104 -1.646 13.724 16.939 1.00 14.45 1ECO 900 ATOM 800 N VAL 105 -1.724 19.101 15.324 1.00 11.79 1ECO 901 ATOM 801 CA VAL 105 -3.000 19.098 14.597 1.00 12.87 1ECO 902 ATOM 802 C VAL 105 -2.770 19.527 13.148 1.00 12.91 1ECO 903 ATOM 803 O VAL 105 -3.405 19.001 12.222 1.00 11.49 1ECO 904 ATOM 804 CB VAL 105 -3.990 20.025 15.288 1.00 14.39 1ECO 905 ATOM 805 CG1 VAL 105 -5.180 20.484 14.407 1.00 16.49 1ECO 906 ATOM 806 CG2 VAL 105 -4.443 19.482 16.618 1.00 14.40 1ECO 907 ATOM 807 N SER 106 -1.866 20.478 12.972 1.00 13.43 1ECO 908 ATOM 808 CA SER 106 -1.417 20.855 11.627 1.00 15.14 1ECO 909 ATOM 809 C SER 106 -.806 19.687 10.854 1.00 14.63 1ECO 910 ATOM 810 O SER 106 -1.103 19.484 9.667 1.00 11.67 1ECO 911 ATOM 811 CB SER 106 -.387 21.962 11.696 1.00 15.47 1ECO 912 ATOM 812 OG ASER 106 -.107 22.511 10.412 .50 14.68 1ECO 913 ATOM 813 OG BSER 106 -.993 23.248 11.779 .50 15.92 1ECO 914 ATOM 814 N TYR 107 .038 18.935 11.537 1.00 14.14 1ECO 915 ATOM 815 CA TYR 107 .532 17.667 10.987 1.00 10.98 1ECO 916 ATOM 816 C TYR 107 -.559 16.687 10.557 1.00 12.13 1ECO 917 ATOM 817 O TYR 107 -.540 16.165 9.432 1.00 11.67 1ECO 918 ATOM 818 CB TYR 107 1.433 16.984 12.032 1.00 12.29 1ECO 919 ATOM 819 CG TYR 107 1.927 15.692 11.366 1.00 13.49 1ECO 920 ATOM 820 CD1 TYR 107 1.154 14.526 11.529 1.00 11.97 1ECO 921 ATOM 821 CD2 TYR 107 3.118 15.640 10.697 1.00 10.96 1ECO 922 ATOM 822 CE1 TYR 107 1.620 13.292 10.910 1.00 13.43 1ECO 923 ATOM 823 CE2 TYR 107 3.586 14.435 10.089 1.00 11.68 1ECO 924 ATOM 824 CZ TYR 107 2.805 13.286 10.265 1.00 12.72 1ECO 925 ATOM 825 OH TYR 107 3.259 12.112 9.701 1.00 12.97 1ECO 926 ATOM 826 N MET 108 -1.493 16.453 11.456 1.00 11.73 1ECO 927 ATOM 827 CA MET 108 -2.610 15.544 11.163 1.00 13.79 1ECO 928 ATOM 828 C MET 108 -3.507 15.976 10.004 1.00 11.87 1ECO 929 ATOM 829 O MET 108 -3.976 15.139 9.216 1.00 12.17 1ECO 930 ATOM 830 CB MET 108 -3.512 15.386 12.414 1.00 12.52 1ECO 931 ATOM 831 CG MET 108 -2.761 14.715 13.544 1.00 14.30 1ECO 932 ATOM 832 SD MET 108 -2.244 13.061 13.104 1.00 10.58 1ECO 933 ATOM 833 CE MET 108 -3.835 12.330 12.830 1.00 15.57 1ECO 934 ATOM 834 N LYS 109 -3.737 17.272 9.916 1.00 12.63 1ECO 935 ATOM 835 CA LYS 109 -4.540 17.825 8.816 1.00 13.31 1ECO 936 ATOM 836 C LYS 109 -3.865 17.766 7.445 1.00 18.67 1ECO 937 ATOM 837 O LYS 109 -4.532 17.575 6.417 1.00 15.64 1ECO 938 ATOM 838 CB LYS 109 -4.897 19.286 9.068 1.00 12.95 1ECO 939 ATOM 839 CG LYS 109 -6.141 19.496 9.914 1.00 15.24 1ECO 940 ATOM 840 CD LYS 109 -6.419 20.983 10.117 1.00 23.03 1ECO 941 ATOM 841 CE LYS 109 -7.881 21.238 10.443 0.00 0.00 2 1ECO 942 ATOM 842 NZ LYS 109 -8.033 22.458 11.240 0.00 0.00 2 1ECO 943 ATOM 843 N ALA 110 -2.554 17.930 7.450 1.00 14.83 1ECO 944 ATOM 844 CA ALA 110 -1.768 17.780 6.216 1.00 14.50 1ECO 945 ATOM 845 C ALA 110 -1.378 16.389 5.717 1.00 15.97 1ECO 946 ATOM 846 O ALA 110 -.982 16.216 4.555 1.00 13.47 1ECO 947 ATOM 847 CB ALA 110 -.449 18.518 6.500 1.00 14.47 1ECO 948 ATOM 848 N HIS 111 -1.495 15.420 6.600 1.00 14.29 1ECO 949 ATOM 849 CA HIS 111 -1.201 14.030 6.238 1.00 12.46 1ECO 950 ATOM 850 C HIS 111 -2.323 12.993 6.209 1.00 14.58 1ECO 951 ATOM 851 O HIS 111 -2.168 11.902 5.637 1.00 15.48 1ECO 952 ATOM 852 CB HIS 111 -.148 13.477 7.195 1.00 13.01 1ECO 953 ATOM 853 CG HIS 111 1.116 14.291 7.103 1.00 16.07 1ECO 954 ATOM 854 ND1 HIS 111 2.242 13.831 6.442 1.00 16.79 1ECO 955 ATOM 855 CD2 HIS 111 1.441 15.509 7.606 1.00 12.49 1ECO 956 ATOM 856 CE1 HIS 111 3.194 14.738 6.553 1.00 12.52 1ECO 957 ATOM 857 NE2 HIS 111 2.722 15.762 7.227 1.00 16.11 1ECO 958 ATOM 858 N THR 112 -3.435 13.346 6.824 1.00 16.50 1ECO 959 ATOM 859 CA THR 112 -4.640 12.511 6.739 1.00 14.31 1ECO 960 ATOM 860 C THR 112 -5.904 13.289 6.370 1.00 13.70 1ECO 961 ATOM 861 O THR 112 -5.904 14.527 6.341 1.00 16.82 1ECO 962 ATOM 862 CB THR 112 -4.809 11.811 8.103 1.00 13.59 1ECO 963 ATOM 863 OG1 THR 112 -5.318 12.832 8.955 1.00 13.38 1ECO 964 ATOM 864 CG2 THR 112 -3.510 11.274 8.641 1.00 15.29 1ECO 965 ATOM 865 N ASP 113 -6.958 12.552 6.093 1.00 21.82 1ECO 966 ATOM 866 CA ASP 113 -8.275 13.169 5.920 1.00 26.93 1ECO 967 ATOM 867 C ASP 113 -8.871 13.352 7.317 1.00 15.20 1ECO 968 ATOM 868 O ASP 113 -9.545 12.462 7.843 1.00 17.07 1ECO 969 ATOM 869 CB ASP 113 -9.147 12.274 5.022 1.00 39.96 1ECO 970 ATOM 870 CG ASP 113 -10.478 12.918 4.735 1.00 22.87 1ECO 971 ATOM 871 OD1 ASP 113 -10.962 13.834 5.376 1.00 29.43 1ECO 972 ATOM 872 OD2 ASP 113 -11.050 12.509 3.761 1.00 31.53 1ECO 973 ATOM 873 N PHE 114 -8.607 14.507 7.899 1.00 21.40 1ECO 974 ATOM 874 CA PHE 114 -8.759 14.675 9.350 1.00 12.46 1ECO 975 ATOM 875 C PHE 114 -10.205 14.973 9.748 1.00 13.89 1ECO 976 ATOM 876 O PHE 114 -10.532 15.030 10.940 1.00 11.82 1ECO 977 ATOM 877 CB PHE 114 -7.859 15.789 9.824 1.00 12.90 1ECO 978 ATOM 878 CG PHE 114 -7.743 16.106 11.287 1.00 13.37 1ECO 979 ATOM 879 CD1 PHE 114 -7.153 15.212 12.114 1.00 14.36 1ECO 980 ATOM 880 CD2 PHE 114 -8.145 17.310 11.799 1.00 11.89 1ECO 981 ATOM 881 CE1 PHE 114 -6.996 15.465 13.508 1.00 14.33 1ECO 982 ATOM 882 CE2 PHE 114 -7.941 17.572 13.198 1.00 18.70 1ECO 983 ATOM 883 CZ PHE 114 -7.410 16.645 14.016 1.00 13.68 1ECO 984 ATOM 884 N ALA 115 -11.036 15.165 8.743 1.00 17.70 1ECO 985 ATOM 885 CA ALA 115 -12.350 15.784 8.965 1.00 20.18 1ECO 986 ATOM 886 C ALA 115 -13.168 14.836 9.842 1.00 16.19 1ECO 987 ATOM 887 O ALA 115 -13.811 15.261 10.813 1.00 15.13 1ECO 988 ATOM 889 N GLY 116 -13.134 13.566 9.487 1.00 15.71 1ECO 989 ATOM 890 CA GLY 116 -13.789 12.535 10.305 1.00 13.15 1ECO 990 ATOM 891 C GLY 116 -13.353 12.165 11.725 1.00 13.46 1ECO 991 ATOM 892 O GLY 116 -14.117 11.554 12.486 1.00 12.28 1ECO 992 ATOM 893 N ALA 117 -12.132 12.540 12.058 1.00 12.08 1ECO 993 ATOM 894 CA ALA 117 -11.616 12.313 13.413 1.00 10.85 1ECO 994 ATOM 895 C ALA 117 -11.479 13.570 14.273 1.00 9.81 1ECO 995 ATOM 896 O ALA 117 -11.019 13.508 15.423 1.00 9.98 1ECO 996 ATOM 897 CB ALA 117 -10.199 11.735 13.270 1.00 11.40 1ECO 997 ATOM 898 N GLU 118 -11.879 14.691 13.703 1.00 10.63 1ECO 998 ATOM 899 CA GLU 118 -11.613 15.992 14.329 1.00 10.63 1ECO 999 ATOM 900 C GLU 118 -12.218 16.237 15.712 1.00 12.19 1ECO1000 ATOM 901 O GLU 118 -11.538 16.724 16.626 1.00 9.59 1ECO1001 ATOM 902 CB GLU 118 -12.132 17.170 13.459 1.00 13.64 1ECO1002 ATOM 903 CG GLU 118 -11.651 18.577 13.844 1.00 16.58 1ECO1003 ATOM 904 CD GLU 118 -12.052 19.707 12.838 1.00 30.55 1ECO1004 ATOM 905 OE1 GLU 118 -13.182 20.071 12.719 1.00 43.26 1ECO1005 ATOM 906 OE2 GLU 118 -11.038 20.088 12.274 1.00 42.01 1ECO1006 ATOM 907 N ALA 119 -13.487 15.899 15.843 1.00 10.38 1ECO1007 ATOM 908 CA ALA 119 -14.168 16.011 17.142 1.00 9.02 1ECO1008 ATOM 909 C ALA 119 -13.628 15.086 18.216 1.00 9.16 1ECO1009 ATOM 910 O ALA 119 -13.480 15.490 19.377 1.00 9.09 1ECO1010 ATOM 911 CB ALA 119 -15.635 15.606 16.922 1.00 11.00 1ECO1011 ATOM 912 N ALA 120 -13.343 13.858 17.828 1.00 9.91 1ECO1012 ATOM 913 CA ALA 120 -12.739 12.892 18.759 1.00 10.17 1ECO1013 ATOM 914 C ALA 120 -11.348 13.324 19.228 1.00 8.47 1ECO1014 ATOM 915 O ALA 120 -11.002 13.186 20.407 1.00 8.48 1ECO1015 ATOM 916 CB ALA 120 -12.547 11.561 18.016 1.00 9.92 1ECO1016 ATOM 917 N TRP 121 -10.571 13.839 18.296 1.00 9.48 1ECO1017 ATOM 918 CA TRP 121 -9.270 14.421 18.637 1.00 10.73 1ECO1018 ATOM 919 C TRP 121 -9.390 15.651 19.539 1.00 8.27 1ECO1019 ATOM 920 O TRP 121 -8.630 15.811 20.493 1.00 8.69 1ECO1020 ATOM 921 CB TRP 121 -8.537 14.782 17.360 1.00 9.51 1ECO1021 ATOM 922 CG TRP 121 -7.632 13.633 16.784 1.00 10.62 1ECO1022 ATOM 923 CD1 TRP 121 -7.668 13.038 15.586 1.00 9.30 1ECO1023 ATOM 924 CD2 TRP 121 -6.534 13.065 17.430 1.00 8.82 1ECO1024 ATOM 925 NE1 TRP 121 -6.643 12.019 15.508 1.00 10.54 1ECO1025 ATOM 926 CE2 TRP 121 -5.957 12.082 16.581 1.00 10.14 1ECO1026 ATOM 927 CE3 TRP 121 -5.978 13.289 18.654 1.00 11.74 1ECO1027 ATOM 928 CZ2 TRP 121 -4.837 11.304 16.887 1.00 11.90 1ECO1028 ATOM 929 CZ3 TRP 121 -4.857 12.490 18.960 1.00 11.63 1ECO1029 ATOM 930 CH2 TRP 121 -4.291 11.571 18.087 1.00 9.92 1ECO1030 ATOM 931 N GLY 122 -10.352 16.495 19.225 1.00 10.54 1ECO1031 ATOM 932 CA GLY 122 -10.699 17.615 20.109 1.00 10.39 1ECO1032 ATOM 933 C GLY 122 -10.957 17.173 21.551 1.00 9.48 1ECO1033 ATOM 934 O GLY 122 -10.371 17.714 22.499 1.00 8.82 1ECO1034 ATOM 935 N ALA 123 -11.812 16.205 21.700 1.00 10.69 1ECO1035 ATOM 936 CA ALA 123 -12.113 15.652 23.029 1.00 12.45 1ECO1036 ATOM 937 C ALA 123 -10.886 15.089 23.747 1.00 9.38 1ECO1037 ATOM 938 O ALA 123 -10.669 15.350 24.938 1.00 10.29 1ECO1038 ATOM 939 CB ALA 123 -13.079 14.471 22.839 1.00 10.08 1ECO1039 ATOM 940 N THR 124 -10.103 14.323 23.017 1.00 11.26 1ECO1040 ATOM 941 CA THR 124 -8.877 13.751 23.572 1.00 10.18 1ECO1041 ATOM 942 C THR 124 -7.881 14.796 24.046 1.00 9.64 1ECO1042 ATOM 943 O THR 124 -7.325 14.694 25.148 1.00 9.50 1ECO1043 ATOM 944 CB THR 124 -8.254 12.858 22.479 1.00 12.52 1ECO1044 ATOM 945 OG1 THR 124 -9.203 11.824 22.292 1.00 10.12 1ECO1045 ATOM 946 CG2 THR 124 -6.940 12.274 22.890 1.00 10.96 1ECO1046 ATOM 947 N LEU 125 -7.661 15.790 23.209 1.00 11.21 1ECO1047 ATOM 948 CA LEU 125 -6.600 16.774 23.463 1.00 9.91 1ECO1048 ATOM 949 C LEU 125 -7.038 17.789 24.522 1.00 10.22 1ECO1049 ATOM 950 O LEU 125 -6.222 18.270 25.320 1.00 9.77 1ECO1050 ATOM 951 CB LEU 125 -6.239 17.509 22.157 1.00 10.53 1ECO1051 ATOM 952 CG LEU 125 -5.497 16.734 21.086 1.00 11.37 1ECO1052 ATOM 953 CD1 LEU 125 -5.384 17.578 19.838 1.00 12.22 1ECO1053 ATOM 954 CD2 LEU 125 -4.126 16.342 21.571 1.00 11.89 1ECO1054 ATOM 955 N ASP 126 -8.316 18.102 24.516 1.00 11.34 1ECO1055 ATOM 956 CA ASP 126 -8.914 18.906 25.599 1.00 11.20 1ECO1056 ATOM 957 C ASP 126 -8.840 18.236 26.974 1.00 9.83 1ECO1057 ATOM 958 O ASP 126 -8.573 18.891 27.990 1.00 10.05 1ECO1058 ATOM 959 CB ASP 126 -10.377 19.204 25.264 1.00 11.66 1ECO1059 ATOM 960 CG ASP 126 -10.486 20.334 24.299 1.00 9.84 1ECO1060 ATOM 961 OD1 ASP 126 -9.560 21.030 23.934 1.00 10.33 1ECO1061 ATOM 962 OD2 ASP 126 -11.580 20.507 23.831 1.00 10.08 1ECO1062 ATOM 963 N THR 127 -9.078 16.942 26.988 1.00 10.98 1ECO1063 ATOM 964 CA THR 127 -8.846 16.140 28.200 1.00 12.48 1ECO1064 ATOM 965 C THR 127 -7.381 16.093 28.642 1.00 10.55 1ECO1065 ATOM 966 O THR 127 -7.063 16.322 29.815 1.00 11.09 1ECO1066 ATOM 967 CB THR 127 -9.363 14.727 27.910 1.00 11.70 1ECO1067 ATOM 968 OG1 THR 127 -10.751 14.912 27.755 1.00 14.22 1ECO1068 ATOM 969 CG2 THR 127 -9.073 13.767 29.029 1.00 14.92 1ECO1069 ATOM 970 N PHE 128 -6.511 15.800 27.697 1.00 12.22 1ECO1070 ATOM 971 CA PHE 128 -5.068 15.707 27.989 1.00 11.04 1ECO1071 ATOM 972 C PHE 128 -4.437 17.015 28.470 1.00 9.88 1ECO1072 ATOM 973 O PHE 128 -3.777 17.058 29.514 1.00 10.50 1ECO1073 ATOM 974 CB PHE 128 -4.339 15.231 26.748 1.00 13.07 1ECO1074 ATOM 975 CG PHE 128 -2.852 15.052 26.723 1.00 12.29 1ECO1075 ATOM 976 CD1 PHE 128 -2.263 14.326 27.700 1.00 14.55 1ECO1076 ATOM 977 CD2 PHE 128 -2.082 15.531 25.695 1.00 14.63 1ECO1077 ATOM 978 CE1 PHE 128 -.855 14.108 27.727 1.00 12.35 1ECO1078 ATOM 979 CE2 PHE 128 -.668 15.269 25.708 1.00 17.21 1ECO1079 ATOM 980 CZ PHE 128 -.088 14.602 26.724 1.00 13.37 1ECO1080 ATOM 981 N PHE 129 -4.650 18.065 27.701 1.00 12.42 1ECO1081 ATOM 982 CA PHE 129 -4.062 19.377 28.018 1.00 12.78 1ECO1082 ATOM 983 C PHE 129 -4.784 19.991 29.219 1.00 12.52 1ECO1083 ATOM 984 O PHE 129 -4.178 20.701 30.033 1.00 11.93 1ECO1084 ATOM 985 CB PHE 129 -4.156 20.274 26.800 1.00 11.26 1ECO1085 ATOM 986 CG PHE 129 -3.028 19.962 25.857 1.00 12.22 1ECO1086 ATOM 987 CD1 PHE 129 -3.306 19.390 24.658 1.00 12.83 1ECO1087 ATOM 988 CD2 PHE 129 -1.735 20.310 26.138 1.00 14.72 1ECO1088 ATOM 989 CE1 PHE 129 -2.281 19.085 23.717 1.00 13.60 1ECO1089 ATOM 990 CE2 PHE 129 -.715 20.039 25.163 1.00 13.44 1ECO1090 ATOM 991 CZ PHE 129 -.997 19.413 24.007 1.00 15.70 1ECO1091 ATOM 992 N GLY 130 -6.066 19.710 29.318 1.00 12.28 1ECO1092 ATOM 993 CA GLY 130 -6.806 19.960 30.562 1.00 14.34 1ECO1093 ATOM 994 C GLY 130 -6.188 19.440 31.864 1.00 14.17 1ECO1094 ATOM 995 O GLY 130 -6.155 20.147 32.879 1.00 12.10 1ECO1095 ATOM 996 N MET 131 -5.709 18.212 31.816 1.00 12.69 1ECO1096 ATOM 997 CA MET 131 -4.969 17.641 32.950 1.00 12.70 1ECO1097 ATOM 998 C MET 131 -3.587 18.249 33.209 1.00 11.03 1ECO1098 ATOM 999 O MET 131 -3.212 18.509 34.359 1.00 12.44 1ECO1099 ATOM 1000 CB MET 131 -4.772 16.116 32.743 1.00 11.62 1ECO1100 ATOM 1001 CG AMET 131 -4.836 15.378 34.058 .50 13.00 1ECO1101 ATOM 1002 CG BMET 131 -6.025 15.359 33.112 .50 14.92 1ECO1102 ATOM 1003 SD AMET 131 -4.838 13.604 33.820 .50 14.82 1ECO1103 ATOM 1004 SD BMET 131 -5.839 13.599 32.840 .50 20.32 1ECO1104 ATOM 1005 CE AMET 131 -5.946 13.499 32.439 .50 30.85 1ECO1105 ATOM 1006 CE BMET 131 -4.206 13.379 33.497 .50 29.16 1ECO1106 ATOM 1007 N ILE 132 -2.849 18.465 32.138 1.00 11.79 1ECO1107 ATOM 1008 CA ILE 132 -1.501 19.051 32.247 1.00 12.20 1ECO1108 ATOM 1009 C ILE 132 -1.616 20.446 32.867 1.00 11.97 1ECO1109 ATOM 1010 O ILE 132 -.846 20.809 33.766 1.00 9.72 1ECO1110 ATOM 1011 CB ILE 132 -.824 19.171 30.859 1.00 12.39 1ECO1111 ATOM 1012 CG1 ILE 132 -.449 17.793 30.243 1.00 11.63 1ECO1112 ATOM 1013 CG2 ILE 132 .336 20.116 31.165 1.00 15.27 1ECO1113 ATOM 1014 CD1 ILE 132 -.022 17.865 28.758 1.00 16.29 1ECO1114 ATOM 1015 N PHE 133 -2.573 21.209 32.382 1.00 12.86 1ECO1115 ATOM 1016 CA PHE 133 -2.710 22.615 32.799 1.00 11.85 1ECO1116 ATOM 1017 C PHE 133 -3.206 22.759 34.240 1.00 11.87 1ECO1117 ATOM 1018 O PHE 133 -3.040 23.792 34.864 1.00 14.85 1ECO1118 ATOM 1019 CB PHE 133 -3.656 23.295 31.853 1.00 12.64 1ECO1119 ATOM 1020 CG PHE 133 -3.164 23.768 30.516 1.00 16.64 1ECO1120 ATOM 1021 CD1 PHE 133 -2.085 23.216 29.972 1.00 16.74 1ECO1121 ATOM 1022 CD2 PHE 133 -3.840 24.707 29.786 1.00 24.35 1ECO1122 ATOM 1023 CE1 PHE 133 -1.577 23.614 28.702 1.00 14.79 1ECO1123 ATOM 1024 CE2 PHE 133 -3.345 25.070 28.488 1.00 20.51 1ECO1124 ATOM 1025 CZ PHE 133 -2.215 24.540 27.994 1.00 13.88 1ECO1125 ATOM 1026 N SER 134 -3.792 21.693 34.749 1.00 12.47 1ECO1126 ATOM 1027 CA SER 134 -4.187 21.650 36.167 1.00 14.28 1ECO1127 ATOM 1028 C SER 134 -3.012 21.357 37.104 1.00 16.54 1ECO1128 ATOM 1029 O SER 134 -3.115 21.529 38.325 1.00 15.54 1ECO1129 ATOM 1030 CB SER 134 -5.249 20.587 36.381 1.00 13.48 1ECO1130 ATOM 1031 OG SER 134 -4.680 19.302 36.602 1.00 11.90 1ECO1131 ATOM 1032 N LYS 135 -1.912 20.919 36.519 1.00 14.62 1ECO1132 ATOM 1033 CA LYS 135 -.759 20.460 37.316 1.00 13.06 1ECO1133 ATOM 1034 C LYS 135 .507 21.301 37.141 1.00 13.67 1ECO1134 ATOM 1035 O LYS 135 1.414 21.269 37.985 1.00 16.52 1ECO1135 ATOM 1036 CB LYS 135 -.392 19.019 36.964 1.00 14.64 1ECO1136 ATOM 1037 CG LYS 135 -1.490 18.000 37.217 1.00 13.36 1ECO1137 ATOM 1038 CD LYS 135 -1.127 16.640 36.622 1.00 14.38 1ECO1138 ATOM 1039 CE LYS 135 -2.335 15.718 36.550 1.00 15.48 1ECO1139 ATOM 1040 NZ LYS 135 -2.532 15.005 37.830 1.00 14.73 1ECO1140 ATOM 1041 N MET 136 .552 22.042 36.052 1.00 15.35 1ECO1141 ATOM 1042 CA MET 136 1.684 22.945 35.796 1.00 16.70 1ECO1142 ATOM 1043 C MET 136 1.388 24.126 34.869 1.00 16.31 1ECO1143 ATOM 1044 O MET 136 2.242 25.001 34.660 1.00 18.06 1ECO1144 ATOM 1045 CB MET 136 2.861 22.155 35.167 1.00 14.04 1ECO1145 ATOM 1046 CG MET 136 2.577 21.815 33.718 1.00 18.29 1ECO1146 ATOM 1047 SD MET 136 3.848 20.765 33.023 1.00 15.49 1ECO1147 ATOM 1048 CE MET 136 4.675 21.959 32.011 1.00 21.00 1ECO1148 ATOM 1049 OXT MET 136 .185 24.134 34.329 1.00 14.87 1ECO1149 TER 1050 MET 136 1ECO1150 HETATM 1051 FE HEM 1 9.294 17.214 25.883 1.00 8.23 1ECO1151 HETATM 1052 CHA HEM 1 12.211 15.423 26.210 1.00 13.80 1ECO1152 HETATM 1053 CHB HEM 1 11.058 20.117 25.889 1.00 12.05 1ECO1153 HETATM 1054 CHC HEM 1 6.431 18.918 25.209 1.00 15.38 1ECO1154 HETATM 1055 CHD HEM 1 7.535 14.261 25.905 1.00 13.85 1ECO1155 HETATM 1056 N A HEM 1 11.261 17.671 25.896 1.00 15.51 1ECO1156 HETATM 1057 C1A HEM 1 12.305 16.808 26.177 1.00 15.79 1ECO1157 HETATM 1058 C2A HEM 1 13.498 17.578 26.490 1.00 16.22 1ECO1158 HETATM 1059 C3A HEM 1 13.179 18.872 26.398 1.00 14.92 1ECO1159 HETATM 1060 C4A HEM 1 11.776 18.949 26.026 1.00 14.74 1ECO1160 HETATM 1061 CMA HEM 1 14.120 20.036 26.642 1.00 16.50 1ECO1161 HETATM 1062 CAA HEM 1 14.862 17.030 26.854 1.00 18.47 1ECO1162 HETATM 1063 CBA HEM 1 15.600 16.735 25.586 1.00 18.26 1ECO1163 HETATM 1064 CGA HEM 1 16.933 16.084 25.952 1.00 27.82 1ECO1164 HETATM 1065 O1A HEM 1 17.273 15.083 25.443 1.00 23.45 1ECO1165 HETATM 1066 O2A HEM 1 17.660 16.601 26.781 1.00 27.10 1ECO1166 HETATM 1067 N B HEM 1 8.845 19.118 25.559 1.00 13.61 1ECO1167 HETATM 1068 C1B HEM 1 9.702 20.198 25.664 1.00 16.05 1ECO1168 HETATM 1069 C2B HEM 1 8.949 21.436 25.517 1.00 11.97 1ECO1169 HETATM 1070 C3B HEM 1 7.671 21.105 25.329 1.00 12.38 1ECO1170 HETATM 1071 C4B HEM 1 7.587 19.651 25.353 1.00 13.51 1ECO1171 HETATM 1072 CMB HEM 1 9.497 22.850 25.565 1.00 16.24 1ECO1172 HETATM 1073 CAB HEM 1 6.528 22.081 25.129 1.00 14.40 1ECO1173 HETATM 1074 CBB HEM 1 5.575 21.824 24.237 1.00 15.44 1ECO1174 HETATM 1075 N C HEM 1 7.374 16.693 25.628 1.00 16.08 1ECO1175 HETATM 1076 C1C HEM 1 6.324 17.551 25.359 1.00 13.25 1ECO1176 HETATM 1077 C2C HEM 1 5.092 16.785 25.237 1.00 13.20 1ECO1177 HETATM 1078 C3C HEM 1 5.397 15.498 25.429 1.00 12.66 1ECO1178 HETATM 1079 C4C HEM 1 6.828 15.422 25.677 1.00 12.45 1ECO1179 HETATM 1080 CMC HEM 1 3.709 17.329 24.946 1.00 15.90 1ECO1180 HETATM 1081 CAC HEM 1 4.418 14.342 25.393 1.00 17.34 1ECO1181 HETATM 1082 CBC HEM 1 4.537 13.386 24.473 0.00 0.00 2 1ECO1182 HETATM 1083 N D HEM 1 9.778 15.238 25.993 1.00 13.75 1ECO1183 HETATM 1084 C1D HEM 1 8.901 14.169 26.035 1.00 16.61 1ECO1184 HETATM 1085 C2D HEM 1 9.642 12.936 26.250 1.00 16.00 1ECO1185 HETATM 1086 C3D HEM 1 10.933 13.258 26.334 1.00 17.43 1ECO1186 HETATM 1087 C4D HEM 1 11.038 14.701 26.175 1.00 11.97 1ECO1187 HETATM 1088 CMD HEM 1 9.071 11.535 26.360 1.00 13.62 1ECO1188 HETATM 1089 CAD HEM 1 12.071 12.281 26.557 1.00 15.12 1ECO1189 HETATM 1090 CBD HEM 1 12.147 12.002 28.018 1.00 14.43 1ECO1190 HETATM 1091 CGD HEM 1 12.626 13.272 28.717 1.00 14.53 1ECO1191 HETATM 1092 O1D HEM 1 13.756 13.588 28.680 1.00 15.93 1ECO1192 HETATM 1093 O2D HEM 1 11.833 13.973 29.324 1.00 14.81 1ECO1193 HETATM 1094 C HEM 1 9.454 17.326 23.490 1.00 11.24 1ECO1194 HETATM 1095 O HEM 1 9.217 17.606 22.400 1.00 21.35 1ECO1195 HETATM 1096 O HOH 2 14.440 13.082 23.842 .74 22.26 1ECO1196 HETATM 1097 O HOH 3 15.633 13.261 25.988 .64 18.40 1ECO1197 HETATM 1098 O HOH 4 10.200 8.832 11.354 .77 15.41 1ECO1198 HETATM 1099 O HOH 5 16.654 19.026 30.117 .72 18.03 1ECO1199 HETATM 1100 O HOH 6 -4.379 17.504 3.673 .53 18.24 1ECO1200 HETATM 1101 O HOH 7 -5.417 .189 23.056 .62 16.55 1ECO1201 HETATM 1102 O HOH 8 -18.123 11.027 27.273 .72 19.88 1ECO1202 HETATM 1103 O HOH 9 -10.472 7.432 12.463 .90 11.16 1ECO1203 HETATM 1104 O HOH 10 -16.023 9.168 16.410 .58 14.27 1ECO1204 HETATM 1105 O HOH 11 -8.411 .323 22.067 .76 10.55 1ECO1205 HETATM 1106 O HOH 12 -3.147 4.028 17.472 .76 11.92 1ECO1206 HETATM 1107 O HOH 13 -3.276 3.520 19.998 .83 13.29 1ECO1207 HETATM 1108 O HOH 14 2.788 2.898 32.813 .74 17.77 1ECO1208 HETATM 1109 O HOH 15 -1.411 2.060 16.710 .68 20.44 1ECO1209 HETATM 1110 O HOH 16 2.279 4.980 10.319 .71 16.67 1ECO1210 HETATM 1111 O HOH 17 3.566 2.202 12.161 .55 15.76 1ECO1211 HETATM 1112 O HOH 18 9.307 12.510 7.962 .68 13.18 1ECO1212 HETATM 1113 O HOH 19 3.388 18.955 8.401 .58 13.36 1ECO1213 HETATM 1114 O HOH 20 5.841 17.330 8.978 .77 11.47 1ECO1214 HETATM 1115 O HOH 21 3.723 23.236 12.176 .85 14.76 1ECO1215 HETATM 1116 O HOH 22 3.491 27.817 11.749 .73 18.67 1ECO1216 HETATM 1117 O HOH 23 12.311 25.699 14.376 .48 18.05 1ECO1217 HETATM 1118 O HOH 24 6.014 30.331 22.855 .73 10.22 1ECO1218 HETATM 1119 O HOH 25 12.958 28.578 24.608 .68 15.05 1ECO1219 HETATM 1120 O HOH 26 19.339 25.006 24.781 .76 24.97 1ECO1220 HETATM 1121 O HOH 27 15.818 22.544 28.852 .62 24.38 1ECO1221 HETATM 1122 O HOH 28 23.708 24.473 22.261 .62 16.08 1ECO1222 HETATM 1123 O HOH 29 23.011 23.064 19.268 .64 15.15 1ECO1223 HETATM 1124 O HOH 30 19.166 17.904 22.788 .77 12.76 1ECO1224 HETATM 1125 O HOH 31 -16.825 12.754 29.442 .70 17.40 1ECO1225 HETATM 1126 O HOH 32 17.375 27.767 18.497 .72 15.90 1ECO1226 HETATM 1127 O HOH 33 17.969 23.952 4.138 .56 11.93 1ECO1227 HETATM 1128 O HOH 34 14.625 26.385 9.290 .78 9.63 1ECO1228 HETATM 1129 O HOH 35 16.149 26.465 5.599 .74 20.04 1ECO1229 HETATM 1130 O HOH 36 12.099 25.894 8.805 .77 14.40 1ECO1230 HETATM 1131 O HOH 37 22.387 24.109 10.814 .74 12.80 1ECO1231 HETATM 1132 O HOH 38 23.311 23.473 7.981 .51 32.82 1ECO1232 HETATM 1133 O HOH 39 17.268 16.935 6.036 .61 21.20 1ECO1233 HETATM 1134 O HOH 40 15.736 12.031 11.297 .66 12.65 1ECO1234 HETATM 1135 O HOH 41 22.741 11.491 11.184 .67 13.10 1ECO1235 HETATM 1136 O HOH 42 14.854 6.812 20.793 .80 11.55 1ECO1236 HETATM 1137 O HOH 43 13.716 5.047 22.624 .75 13.90 1ECO1237 HETATM 1138 O HOH 44 9.939 5.137 22.279 .80 15.80 1ECO1238 HETATM 1139 O HOH 45 7.965 5.862 18.674 .68 17.63 1ECO1239 HETATM 1140 O HOH 46 5.543 3.595 22.569 .81 12.00 1ECO1240 HETATM 1141 O HOH 47 3.290 2.612 22.041 .73 14.93 1ECO1241 HETATM 1142 O HOH 48 .634 2.710 18.511 .64 16.71 1ECO1242 HETATM 1143 O HOH 49 -.668 3.718 20.768 .66 16.98 1ECO1243 HETATM 1144 O HOH 50 -.386 2.250 26.022 .88 11.96 1ECO1244 HETATM 1145 O HOH 51 -2.111 .194 26.920 .56 22.72 1ECO1245 HETATM 1146 O HOH 52 .218 1.847 28.943 .73 13.09 1ECO1246 HETATM 1147 O HOH 53 -7.778 2.277 25.017 .67 11.90 1ECO1247 HETATM 1148 O HOH 54 -3.331 6.435 35.424 .66 12.40 1ECO1248 HETATM 1149 O HOH 55 -1.330 6.478 32.860 .78 12.95 1ECO1249 HETATM 1150 O HOH 56 -6.699 9.280 34.319 .75 16.85 1ECO1250 HETATM 1151 O HOH 57 3.647 8.521 37.560 .72 17.82 1ECO1251 HETATM 1152 O HOH 58 4.064 15.014 38.832 .75 11.19 1ECO1252 HETATM 1153 O HOH 59 1.834 16.595 39.145 .75 12.57 1ECO1253 HETATM 1154 O HOH 60 1.421 8.976 39.503 .81 16.73 1ECO1254 HETATM 1155 O HOH 61 10.206 17.128 39.083 .66 13.70 1ECO1255 HETATM 1156 O HOH 62 9.390 12.988 29.949 .75 12.19 1ECO1256 HETATM 1157 O HOH 63 13.859 17.054 33.705 .75 20.16 1ECO1257 HETATM 1158 O HOH 64 13.625 14.450 34.941 .67 33.80 1ECO1258 HETATM 1159 O HOH 65 9.737 29.617 31.644 .57 19.13 1ECO1259 HETATM 1160 O HOH 66 6.998 24.969 33.961 .54 14.52 1ECO1260 HETATM 1161 O HOH 67 6.361 30.553 25.855 .73 11.73 1ECO1261 HETATM 1162 O HOH 68 2.755 29.019 31.675 .76 12.15 1ECO1262 HETATM 1163 O HOH 69 -3.053 28.241 29.457 .65 18.03 1ECO1263 HETATM 1164 O HOH 70 2.188 30.805 29.058 .64 17.39 1ECO1264 HETATM 1165 O HOH 71 -5.215 23.181 24.721 .86 10.38 1ECO1265 HETATM 1166 O HOH 72 -3.595 25.239 20.251 .67 14.57 1ECO1266 HETATM 1167 O HOH 73 -6.001 25.535 21.796 .67 17.43 1ECO1267 HETATM 1168 O HOH 74 -8.398 20.288 18.385 .65 19.38 1ECO1268 HETATM 1169 O HOH 75 -6.762 22.192 18.355 .73 14.83 1ECO1269 HETATM 1170 O HOH 76 -8.256 24.144 19.564 .68 20.93 1ECO1270 HETATM 1171 O HOH 77 -3.095 23.806 13.897 .73 15.49 1ECO1271 HETATM 1172 O HOH 78 -2.261 21.553 7.904 .69 11.75 1ECO1272 HETATM 1173 O HOH 79 2.147 10.101 8.061 .58 11.21 1ECO1273 HETATM 1174 O HOH 80 -6.960 11.318 10.692 .75 11.63 1ECO1274 HETATM 1175 O HOH 81 -7.503 17.572 6.418 .74 21.75 1ECO1275 HETATM 1176 O HOH 82 -12.390 11.543 7.121 .74 25.22 1ECO1276 HETATM 1177 O HOH 83 -10.432 9.834 2.482 .66 21.61 1ECO1277 HETATM 1178 O HOH 84 -6.431 9.790 5.581 .62 12.57 1ECO1278 HETATM 1179 O HOH 85 -15.240 14.916 13.453 .65 13.02 1ECO1279 HETATM 1180 O HOH 86 -9.442 18.835 16.757 .68 16.94 1ECO1280 HETATM 1181 O HOH 87 -16.731 12.043 16.798 .54 16.20 1ECO1281 HETATM 1182 O HOH 88 -14.622 12.575 15.411 .74 10.14 1ECO1282 HETATM 1183 O HOH 89 -9.821 23.677 23.576 .83 11.27 1ECO1283 HETATM 1184 O HOH 90 9.256 28.187 12.319 .97 11.93 1ECO1284 HETATM 1185 O HOH 91 -10.782 19.868 29.587 .75 12.84 1ECO1285 HETATM 1186 O HOH 92 -12.065 17.888 28.140 .48 23.47 1ECO1286 HETATM 1187 O HOH 93 -9.021 16.875 31.885 .85 15.35 1ECO1287 HETATM 1188 O HOH 94 -1.294 25.616 36.972 .74 18.64 1ECO1288 HETATM 1189 O HOH 95 2.485 19.328 39.926 .73 15.90 1ECO1289 CONECT 661 659 660 1051 1ECO1290 CONECT 1051 661 1056 1067 1075 1ECO1291 CONECT 1051 1083 1094 1ECO1292 CONECT 1052 1057 1087 1ECO1293 CONECT 1053 1060 1068 1ECO1294 CONECT 1054 1071 1076 1ECO1295 CONECT 1055 1079 1084 1ECO1296 CONECT 1056 1051 1057 1060 1ECO1297 CONECT 1057 1052 1056 1058 1ECO1298 CONECT 1058 1057 1059 1062 1ECO1299 CONECT 1059 1058 1060 1061 1ECO1300 CONECT 1060 1053 1056 1059 1ECO1301 CONECT 1061 1059 1ECO1302 CONECT 1062 1058 1063 1ECO1303 CONECT 1063 1062 1064 1ECO1304 CONECT 1064 1063 1065 1066 1ECO1305 CONECT 1065 1064 1ECO1306 CONECT 1066 1064 1ECO1307 CONECT 1067 1051 1068 1071 1ECO1308 CONECT 1068 1053 1067 1069 1ECO1309 CONECT 1069 1068 1070 1072 1ECO1310 CONECT 1070 1069 1071 1073 1ECO1311 CONECT 1071 1054 1067 1070 1ECO1312 CONECT 1072 1069 1ECO1313 CONECT 1073 1070 1074 1ECO1314 CONECT 1074 1073 1ECO1315 CONECT 1075 1051 1076 1079 1ECO1316 CONECT 1076 1054 1075 1077 1ECO1317 CONECT 1077 1076 1078 1080 1ECO1318 CONECT 1078 1077 1079 1081 1ECO1319 CONECT 1079 1055 1075 1078 1ECO1320 CONECT 1080 1077 1ECO1321 CONECT 1081 1078 1082 1ECO1322 CONECT 1082 1081 1ECO1323 CONECT 1083 1051 1084 1087 1ECO1324 CONECT 1084 1055 1083 1085 1ECO1325 CONECT 1085 1084 1086 1088 1ECO1326 CONECT 1086 1085 1087 1089 1ECO1327 CONECT 1087 1052 1083 1086 1ECO1328 CONECT 1088 1085 1ECO1329 CONECT 1089 1086 1090 1ECO1330 CONECT 1090 1089 1091 1ECO1331 CONECT 1091 1090 1092 1093 1ECO1332 CONECT 1092 1091 1ECO1333 CONECT 1093 1091 1ECO1334 CONECT 1094 1051 1095 1ECO1335 CONECT 1095 1094 1ECO1336 MASTER 64 5 1 9 0 0 0 6 1187 1 47 11 1ECOD 8 END 1ECO1338