USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= -4.03 K(o=-6.8,f=-9.3!) USER MOD Set 1.2: A 87 ASN : amide:sc= -0.992 K(o=-6.8,f=-9!) USER MOD Set 1.3: A 89 ASN : amide:sc= -1.83 K(o=-6.8,f=-12!) USER MOD Set 2.1: A 63 ASN : amide:sc= -7.71! C(o=-9.2!,f=-15!) USER MOD Set 2.2: A 66 ASN : amide:sc= -1.51 K(o=-9.2,f=-10!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : A 9 SER OG : rot 105:sc= 0.075 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00473 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 7:sc= 1.05 USER MOD Single : A 25 SER OG : rot 180:sc= 0.24 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.19) USER MOD Single : A 41 THR OG1 : rot -160:sc= -3.26! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.762 K(o=-0.76,f=-3.6!) USER MOD Single : A 53 LYS NZ :NH3+ -132:sc= 1.26 (180deg=0.286) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= -0.0865 (180deg=-0.499) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -169:sc= -0.895 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.598 -2.435 -2.185 1.00 13.40 N ATOM 12 CA ILE A 2 2.984 -3.596 -2.977 1.00 32.15 C ATOM 13 C ILE A 2 4.326 -3.371 -3.665 1.00 11.23 C ATOM 14 O ILE A 2 5.002 -2.372 -3.417 1.00 61.53 O ATOM 15 CB ILE A 2 1.923 -3.929 -4.042 1.00 32.20 C ATOM 16 CG1 ILE A 2 1.875 -2.831 -5.106 1.00 52.12 C ATOM 17 CG2 ILE A 2 0.558 -4.106 -3.393 1.00 40.33 C ATOM 18 CD1 ILE A 2 0.859 -3.090 -6.197 1.00 30.14 C ATOM 0 HA ILE A 2 3.069 -4.435 -2.286 1.00 32.15 H new ATOM 0 HB ILE A 2 2.197 -4.866 -4.526 1.00 32.20 H new ATOM 0 HG12 ILE A 2 1.645 -1.880 -4.625 1.00 52.12 H new ATOM 0 HG13 ILE A 2 2.862 -2.730 -5.557 1.00 52.12 H new ATOM 0 HG21 ILE A 2 -0.181 -4.341 -4.159 1.00 40.33 H new ATOM 0 HG22 ILE A 2 0.602 -4.920 -2.669 1.00 40.33 H new ATOM 0 HG23 ILE A 2 0.274 -3.184 -2.885 1.00 40.33 H new ATOM 0 HD11 ILE A 2 0.880 -2.271 -6.916 1.00 30.14 H new ATOM 0 HD12 ILE A 2 1.100 -4.024 -6.704 1.00 30.14 H new ATOM 0 HD13 ILE A 2 -0.136 -3.161 -5.758 1.00 30.14 H new ATOM 30 N SER A 3 4.705 -4.305 -4.531 1.00 54.01 N ATOM 31 CA SER A 3 5.967 -4.210 -5.255 1.00 1.24 C ATOM 32 C SER A 3 5.724 -4.056 -6.753 1.00 4.31 C ATOM 33 O SER A 3 5.260 -4.983 -7.417 1.00 51.42 O ATOM 34 CB SER A 3 6.825 -5.448 -4.990 1.00 63.52 C ATOM 35 OG SER A 3 6.813 -5.793 -3.616 1.00 23.32 O ATOM 0 H SER A 3 4.156 -5.137 -4.748 1.00 54.01 H new ATOM 0 HA SER A 3 6.497 -3.327 -4.898 1.00 1.24 H new ATOM 0 HB2 SER A 3 6.454 -6.285 -5.581 1.00 63.52 H new ATOM 0 HB3 SER A 3 7.849 -5.260 -5.312 1.00 63.52 H new ATOM 0 HG SER A 3 7.367 -6.588 -3.474 1.00 23.32 H new ATOM 41 N CYS A 4 6.042 -2.878 -7.279 1.00 40.41 N ATOM 42 CA CYS A 4 5.859 -2.599 -8.698 1.00 60.14 C ATOM 43 C CYS A 4 6.502 -3.687 -9.554 1.00 20.15 C ATOM 44 O CYS A 4 5.979 -4.056 -10.604 1.00 43.45 O ATOM 45 CB CYS A 4 6.457 -1.236 -9.053 1.00 71.23 C ATOM 46 SG CYS A 4 5.836 -0.536 -10.616 1.00 61.34 S ATOM 0 H CYS A 4 6.428 -2.101 -6.743 1.00 40.41 H new ATOM 0 HA CYS A 4 4.789 -2.584 -8.904 1.00 60.14 H new ATOM 0 HB2 CYS A 4 6.245 -0.536 -8.244 1.00 71.23 H new ATOM 0 HB3 CYS A 4 7.541 -1.332 -9.116 1.00 71.23 H new ATOM 51 N GLY A 5 7.641 -4.198 -9.094 1.00 55.11 N ATOM 52 CA GLY A 5 8.336 -5.238 -9.828 1.00 64.43 C ATOM 53 C GLY A 5 7.482 -6.474 -10.033 1.00 42.21 C ATOM 54 O GLY A 5 7.638 -7.187 -11.024 1.00 11.02 O ATOM 0 H GLY A 5 8.094 -3.910 -8.227 1.00 55.11 H new ATOM 0 HA2 GLY A 5 8.645 -4.849 -10.798 1.00 64.43 H new ATOM 0 HA3 GLY A 5 9.244 -5.513 -9.291 1.00 64.43 H new ATOM 58 N ALA A 6 6.578 -6.729 -9.093 1.00 50.50 N ATOM 59 CA ALA A 6 5.696 -7.886 -9.175 1.00 51.02 C ATOM 60 C ALA A 6 4.460 -7.576 -10.012 1.00 54.33 C ATOM 61 O ALA A 6 3.796 -8.481 -10.517 1.00 32.41 O ATOM 62 CB ALA A 6 5.291 -8.341 -7.781 1.00 30.11 C ATOM 0 H ALA A 6 6.437 -6.149 -8.266 1.00 50.50 H new ATOM 0 HA ALA A 6 6.241 -8.693 -9.665 1.00 51.02 H new ATOM 0 HB1 ALA A 6 4.632 -9.206 -7.858 1.00 30.11 H new ATOM 0 HB2 ALA A 6 6.181 -8.612 -7.214 1.00 30.11 H new ATOM 0 HB3 ALA A 6 4.769 -7.531 -7.271 1.00 30.11 H new ATOM 68 N VAL A 7 4.155 -6.290 -10.155 1.00 51.34 N ATOM 69 CA VAL A 7 2.998 -5.860 -10.932 1.00 1.01 C ATOM 70 C VAL A 7 3.186 -6.167 -12.413 1.00 50.44 C ATOM 71 O VAL A 7 2.323 -6.774 -13.048 1.00 71.10 O ATOM 72 CB VAL A 7 2.736 -4.352 -10.760 1.00 52.13 C ATOM 73 CG1 VAL A 7 1.480 -3.939 -11.512 1.00 74.32 C ATOM 74 CG2 VAL A 7 2.626 -3.995 -9.286 1.00 33.24 C ATOM 0 H VAL A 7 4.693 -5.528 -9.743 1.00 51.34 H new ATOM 0 HA VAL A 7 2.139 -6.416 -10.555 1.00 1.01 H new ATOM 0 HB VAL A 7 3.579 -3.804 -11.181 1.00 52.13 H new ATOM 0 HG11 VAL A 7 1.311 -2.870 -11.379 1.00 74.32 H new ATOM 0 HG12 VAL A 7 1.603 -4.158 -12.573 1.00 74.32 H new ATOM 0 HG13 VAL A 7 0.625 -4.493 -11.124 1.00 74.32 H new ATOM 0 HG21 VAL A 7 2.441 -2.926 -9.183 1.00 33.24 H new ATOM 0 HG22 VAL A 7 1.802 -4.551 -8.838 1.00 33.24 H new ATOM 0 HG23 VAL A 7 3.556 -4.253 -8.779 1.00 33.24 H new ATOM 84 N THR A 8 4.321 -5.743 -12.961 1.00 0.33 N ATOM 85 CA THR A 8 4.623 -5.971 -14.368 1.00 51.01 C ATOM 86 C THR A 8 5.020 -7.422 -14.617 1.00 1.51 C ATOM 87 O THR A 8 4.589 -8.034 -15.594 1.00 21.34 O ATOM 88 CB THR A 8 5.756 -5.049 -14.856 1.00 64.32 C ATOM 89 OG1 THR A 8 6.971 -5.356 -14.162 1.00 34.01 O ATOM 90 CG2 THR A 8 5.397 -3.587 -14.638 1.00 31.30 C ATOM 0 H THR A 8 5.046 -5.239 -12.451 1.00 0.33 H new ATOM 0 HA THR A 8 3.715 -5.745 -14.927 1.00 51.01 H new ATOM 0 HB THR A 8 5.896 -5.216 -15.924 1.00 64.32 H new ATOM 0 HG1 THR A 8 7.687 -4.767 -14.479 1.00 34.01 H new ATOM 0 HG21 THR A 8 6.213 -2.956 -14.990 1.00 31.30 H new ATOM 0 HG22 THR A 8 4.489 -3.349 -15.191 1.00 31.30 H new ATOM 0 HG23 THR A 8 5.232 -3.407 -13.576 1.00 31.30 H new ATOM 98 N SER A 9 5.844 -7.966 -13.727 1.00 10.30 N ATOM 99 CA SER A 9 6.302 -9.344 -13.852 1.00 71.42 C ATOM 100 C SER A 9 5.119 -10.307 -13.902 1.00 24.23 C ATOM 101 O SER A 9 5.155 -11.316 -14.607 1.00 1.13 O ATOM 102 CB SER A 9 7.221 -9.707 -12.684 1.00 33.10 C ATOM 103 OG SER A 9 8.559 -9.323 -12.949 1.00 72.45 O ATOM 0 H SER A 9 6.208 -7.473 -12.912 1.00 10.30 H new ATOM 0 HA SER A 9 6.860 -9.432 -14.784 1.00 71.42 H new ATOM 0 HB2 SER A 9 6.871 -9.216 -11.776 1.00 33.10 H new ATOM 0 HB3 SER A 9 7.177 -10.781 -12.503 1.00 33.10 H new ATOM 0 HG SER A 9 8.776 -8.518 -12.434 1.00 72.45 H new ATOM 109 N ASP A 10 4.073 -9.988 -13.148 1.00 50.02 N ATOM 110 CA ASP A 10 2.878 -10.823 -13.106 1.00 1.02 C ATOM 111 C ASP A 10 2.210 -10.886 -14.476 1.00 1.32 C ATOM 112 O ASP A 10 1.455 -11.814 -14.768 1.00 52.22 O ATOM 113 CB ASP A 10 1.891 -10.286 -12.068 1.00 25.24 C ATOM 114 CG ASP A 10 2.201 -10.776 -10.667 1.00 23.32 C ATOM 115 OD1 ASP A 10 1.453 -10.417 -9.733 1.00 64.12 O ATOM 116 OD2 ASP A 10 3.191 -11.520 -10.504 1.00 41.23 O ATOM 0 H ASP A 10 4.028 -9.157 -12.558 1.00 50.02 H new ATOM 0 HA ASP A 10 3.179 -11.831 -12.822 1.00 1.02 H new ATOM 0 HB2 ASP A 10 1.911 -9.196 -12.081 1.00 25.24 H new ATOM 0 HB3 ASP A 10 0.880 -10.590 -12.341 1.00 25.24 H new ATOM 121 N LEU A 11 2.492 -9.893 -15.312 1.00 1.43 N ATOM 122 CA LEU A 11 1.918 -9.834 -16.651 1.00 51.25 C ATOM 123 C LEU A 11 2.955 -10.207 -17.705 1.00 45.35 C ATOM 124 O LEU A 11 2.761 -9.962 -18.896 1.00 42.31 O ATOM 125 CB LEU A 11 1.370 -8.433 -16.932 1.00 31.51 C ATOM 126 CG LEU A 11 0.065 -8.069 -16.223 1.00 3.25 C ATOM 127 CD1 LEU A 11 -0.462 -6.735 -16.728 1.00 74.10 C ATOM 128 CD2 LEU A 11 -0.973 -9.164 -16.419 1.00 23.12 C ATOM 0 H LEU A 11 3.115 -9.118 -15.086 1.00 1.43 H new ATOM 0 HA LEU A 11 1.101 -10.554 -16.701 1.00 51.25 H new ATOM 0 HB2 LEU A 11 2.129 -7.704 -16.649 1.00 31.51 H new ATOM 0 HB3 LEU A 11 1.217 -8.333 -18.007 1.00 31.51 H new ATOM 0 HG LEU A 11 0.267 -7.976 -15.156 1.00 3.25 H new ATOM 0 HD11 LEU A 11 -1.391 -6.492 -16.212 1.00 74.10 H new ATOM 0 HD12 LEU A 11 0.275 -5.956 -16.534 1.00 74.10 H new ATOM 0 HD13 LEU A 11 -0.648 -6.800 -17.800 1.00 74.10 H new ATOM 0 HD21 LEU A 11 -1.895 -8.887 -15.907 1.00 23.12 H new ATOM 0 HD22 LEU A 11 -1.172 -9.290 -17.483 1.00 23.12 H new ATOM 0 HD23 LEU A 11 -0.596 -10.100 -16.007 1.00 23.12 H new ATOM 140 N SER A 12 4.057 -10.802 -17.260 1.00 32.45 N ATOM 141 CA SER A 12 5.126 -11.208 -18.164 1.00 62.11 C ATOM 142 C SER A 12 4.590 -12.118 -19.266 1.00 2.54 C ATOM 143 O SER A 12 4.698 -11.823 -20.456 1.00 61.32 O ATOM 144 CB SER A 12 6.234 -11.925 -17.389 1.00 52.33 C ATOM 145 OG SER A 12 6.819 -12.953 -18.170 1.00 1.42 O ATOM 0 H SER A 12 4.233 -11.014 -16.278 1.00 32.45 H new ATOM 0 HA SER A 12 5.538 -10.311 -18.626 1.00 62.11 H new ATOM 0 HB2 SER A 12 7.000 -11.207 -17.095 1.00 52.33 H new ATOM 0 HB3 SER A 12 5.825 -12.349 -16.472 1.00 52.33 H new ATOM 0 HG SER A 12 7.525 -13.395 -17.653 1.00 1.42 H new ATOM 151 N PRO A 13 3.998 -13.251 -18.860 1.00 52.51 N ATOM 152 CA PRO A 13 3.432 -14.227 -19.796 1.00 2.10 C ATOM 153 C PRO A 13 2.179 -13.705 -20.491 1.00 65.13 C ATOM 154 O PRO A 13 1.737 -14.262 -21.497 1.00 4.13 O ATOM 155 CB PRO A 13 3.089 -15.420 -18.900 1.00 1.40 C ATOM 156 CG PRO A 13 2.888 -14.831 -17.546 1.00 51.13 C ATOM 157 CD PRO A 13 3.834 -13.665 -17.457 1.00 31.52 C ATOM 0 HA PRO A 13 4.125 -14.467 -20.603 1.00 2.10 H new ATOM 0 HB2 PRO A 13 2.191 -15.930 -19.247 1.00 1.40 H new ATOM 0 HB3 PRO A 13 3.893 -16.156 -18.896 1.00 1.40 H new ATOM 0 HG2 PRO A 13 1.856 -14.507 -17.410 1.00 51.13 H new ATOM 0 HG3 PRO A 13 3.097 -15.564 -16.767 1.00 51.13 H new ATOM 0 HD2 PRO A 13 3.424 -12.861 -16.846 1.00 31.52 H new ATOM 0 HD3 PRO A 13 4.785 -13.953 -17.009 1.00 31.52 H new ATOM 165 N CYS A 14 1.611 -12.633 -19.950 1.00 42.21 N ATOM 166 CA CYS A 14 0.409 -12.035 -20.518 1.00 71.01 C ATOM 167 C CYS A 14 0.765 -11.031 -21.611 1.00 13.24 C ATOM 168 O CYS A 14 -0.021 -10.790 -22.528 1.00 15.33 O ATOM 169 CB CYS A 14 -0.409 -11.346 -19.424 1.00 33.50 C ATOM 170 SG CYS A 14 -0.957 -12.462 -18.092 1.00 4.24 S ATOM 0 H CYS A 14 1.964 -12.160 -19.118 1.00 42.21 H new ATOM 0 HA CYS A 14 -0.188 -12.832 -20.962 1.00 71.01 H new ATOM 0 HB2 CYS A 14 0.188 -10.544 -18.989 1.00 33.50 H new ATOM 0 HB3 CYS A 14 -1.285 -10.882 -19.878 1.00 33.50 H new ATOM 175 N LEU A 15 1.954 -10.448 -21.506 1.00 70.32 N ATOM 176 CA LEU A 15 2.415 -9.470 -22.485 1.00 43.01 C ATOM 177 C LEU A 15 2.173 -9.966 -23.907 1.00 31.31 C ATOM 178 O LEU A 15 1.659 -9.234 -24.753 1.00 40.02 O ATOM 179 CB LEU A 15 3.903 -9.178 -22.281 1.00 50.14 C ATOM 180 CG LEU A 15 4.407 -7.845 -22.835 1.00 64.05 C ATOM 181 CD1 LEU A 15 3.571 -6.693 -22.299 1.00 64.41 C ATOM 182 CD2 LEU A 15 5.876 -7.646 -22.491 1.00 42.13 C ATOM 0 H LEU A 15 2.616 -10.635 -20.753 1.00 70.32 H new ATOM 0 HA LEU A 15 1.847 -8.551 -22.339 1.00 43.01 H new ATOM 0 HB2 LEU A 15 4.116 -9.208 -21.212 1.00 50.14 H new ATOM 0 HB3 LEU A 15 4.477 -9.981 -22.743 1.00 50.14 H new ATOM 0 HG LEU A 15 4.308 -7.864 -23.920 1.00 64.05 H new ATOM 0 HD11 LEU A 15 3.945 -5.753 -22.704 1.00 64.41 H new ATOM 0 HD12 LEU A 15 2.531 -6.829 -22.597 1.00 64.41 H new ATOM 0 HD13 LEU A 15 3.637 -6.671 -21.211 1.00 64.41 H new ATOM 0 HD21 LEU A 15 6.218 -6.692 -22.893 1.00 42.13 H new ATOM 0 HD22 LEU A 15 6.000 -7.648 -21.408 1.00 42.13 H new ATOM 0 HD23 LEU A 15 6.464 -8.455 -22.925 1.00 42.13 H new ATOM 194 N THR A 16 2.544 -11.217 -24.163 1.00 44.12 N ATOM 195 CA THR A 16 2.367 -11.812 -25.482 1.00 33.04 C ATOM 196 C THR A 16 0.946 -11.603 -25.992 1.00 53.33 C ATOM 197 O THR A 16 0.734 -10.960 -27.021 1.00 13.54 O ATOM 198 CB THR A 16 2.676 -13.321 -25.463 1.00 44.23 C ATOM 199 OG1 THR A 16 4.041 -13.536 -25.088 1.00 65.22 O ATOM 200 CG2 THR A 16 2.416 -13.943 -26.827 1.00 35.44 C ATOM 0 H THR A 16 2.969 -11.838 -23.474 1.00 44.12 H new ATOM 0 HA THR A 16 3.068 -11.313 -26.151 1.00 33.04 H new ATOM 0 HB THR A 16 2.020 -13.795 -24.733 1.00 44.23 H new ATOM 0 HG1 THR A 16 4.229 -14.498 -25.076 1.00 65.22 H new ATOM 0 HG21 THR A 16 2.641 -15.009 -26.790 1.00 35.44 H new ATOM 0 HG22 THR A 16 1.370 -13.802 -27.098 1.00 35.44 H new ATOM 0 HG23 THR A 16 3.051 -13.464 -27.572 1.00 35.44 H new ATOM 208 N TYR A 17 -0.025 -12.149 -25.268 1.00 4.31 N ATOM 209 CA TYR A 17 -1.426 -12.023 -25.649 1.00 53.02 C ATOM 210 C TYR A 17 -1.865 -10.562 -25.639 1.00 2.35 C ATOM 211 O TYR A 17 -2.719 -10.152 -26.425 1.00 54.32 O ATOM 212 CB TYR A 17 -2.309 -12.839 -24.703 1.00 50.22 C ATOM 213 CG TYR A 17 -3.788 -12.577 -24.878 1.00 2.52 C ATOM 214 CD1 TYR A 17 -4.561 -12.113 -23.820 1.00 63.11 C ATOM 215 CD2 TYR A 17 -4.412 -12.793 -26.100 1.00 15.02 C ATOM 216 CE1 TYR A 17 -5.912 -11.873 -23.975 1.00 13.34 C ATOM 217 CE2 TYR A 17 -5.763 -12.554 -26.264 1.00 11.21 C ATOM 218 CZ TYR A 17 -6.509 -12.094 -25.198 1.00 63.04 C ATOM 219 OH TYR A 17 -7.855 -11.856 -25.357 1.00 63.04 O ATOM 0 H TYR A 17 0.133 -12.683 -24.414 1.00 4.31 H new ATOM 0 HA TYR A 17 -1.536 -12.409 -26.662 1.00 53.02 H new ATOM 0 HB2 TYR A 17 -2.115 -13.900 -24.863 1.00 50.22 H new ATOM 0 HB3 TYR A 17 -2.028 -12.615 -23.674 1.00 50.22 H new ATOM 0 HD1 TYR A 17 -4.097 -11.937 -22.861 1.00 63.11 H new ATOM 0 HD2 TYR A 17 -3.831 -13.154 -26.936 1.00 15.02 H new ATOM 0 HE1 TYR A 17 -6.498 -11.514 -23.142 1.00 13.34 H new ATOM 0 HE2 TYR A 17 -6.233 -12.726 -27.221 1.00 11.21 H new ATOM 0 HH TYR A 17 -8.117 -12.061 -26.279 1.00 63.04 H new ATOM 229 N LEU A 18 -1.273 -9.780 -24.742 1.00 32.10 N ATOM 230 CA LEU A 18 -1.601 -8.363 -24.628 1.00 22.25 C ATOM 231 C LEU A 18 -0.914 -7.555 -25.724 1.00 73.33 C ATOM 232 O LEU A 18 -1.103 -6.343 -25.829 1.00 10.25 O ATOM 233 CB LEU A 18 -1.187 -7.833 -23.253 1.00 74.34 C ATOM 234 CG LEU A 18 -2.021 -8.320 -22.068 1.00 20.44 C ATOM 235 CD1 LEU A 18 -1.533 -7.684 -20.775 1.00 75.22 C ATOM 236 CD2 LEU A 18 -3.495 -8.016 -22.291 1.00 51.02 C ATOM 0 H LEU A 18 -0.564 -10.103 -24.084 1.00 32.10 H new ATOM 0 HA LEU A 18 -2.679 -8.254 -24.744 1.00 22.25 H new ATOM 0 HB2 LEU A 18 -0.147 -8.109 -23.078 1.00 74.34 H new ATOM 0 HB3 LEU A 18 -1.228 -6.744 -23.278 1.00 74.34 H new ATOM 0 HG LEU A 18 -1.903 -9.400 -21.985 1.00 20.44 H new ATOM 0 HD11 LEU A 18 -2.138 -8.042 -19.942 1.00 75.22 H new ATOM 0 HD12 LEU A 18 -0.490 -7.954 -20.608 1.00 75.22 H new ATOM 0 HD13 LEU A 18 -1.620 -6.600 -20.847 1.00 75.22 H new ATOM 0 HD21 LEU A 18 -4.073 -8.370 -21.437 1.00 51.02 H new ATOM 0 HD22 LEU A 18 -3.632 -6.940 -22.401 1.00 51.02 H new ATOM 0 HD23 LEU A 18 -3.838 -8.520 -23.195 1.00 51.02 H new ATOM 248 N THR A 19 -0.118 -8.236 -26.543 1.00 3.41 N ATOM 249 CA THR A 19 0.596 -7.582 -27.633 1.00 21.14 C ATOM 250 C THR A 19 0.196 -8.168 -28.982 1.00 33.34 C ATOM 251 O THR A 19 1.024 -8.305 -29.881 1.00 3.04 O ATOM 252 CB THR A 19 2.122 -7.711 -27.462 1.00 55.11 C ATOM 253 OG1 THR A 19 2.486 -9.090 -27.335 1.00 15.03 O ATOM 254 CG2 THR A 19 2.596 -6.941 -26.239 1.00 42.10 C ATOM 0 H THR A 19 0.048 -9.240 -26.472 1.00 3.41 H new ATOM 0 HA THR A 19 0.322 -6.527 -27.603 1.00 21.14 H new ATOM 0 HB THR A 19 2.602 -7.289 -28.345 1.00 55.11 H new ATOM 0 HG1 THR A 19 1.699 -9.652 -27.495 1.00 15.03 H new ATOM 0 HG21 THR A 19 3.676 -7.047 -26.139 1.00 42.10 H new ATOM 0 HG22 THR A 19 2.344 -5.887 -26.352 1.00 42.10 H new ATOM 0 HG23 THR A 19 2.108 -7.337 -25.348 1.00 42.10 H new ATOM 262 N GLY A 20 -1.081 -8.513 -29.117 1.00 14.04 N ATOM 263 CA GLY A 20 -1.569 -9.080 -30.360 1.00 73.12 C ATOM 264 C GLY A 20 -1.289 -10.566 -30.469 1.00 13.10 C ATOM 265 O GLY A 20 -1.735 -11.222 -31.409 1.00 54.55 O ATOM 0 H GLY A 20 -1.786 -8.410 -28.387 1.00 14.04 H new ATOM 0 HA2 GLY A 20 -2.643 -8.909 -30.437 1.00 73.12 H new ATOM 0 HA3 GLY A 20 -1.103 -8.563 -31.199 1.00 73.12 H new ATOM 269 N GLY A 21 -0.546 -11.099 -29.504 1.00 2.10 N ATOM 270 CA GLY A 21 -0.218 -12.513 -29.515 1.00 50.52 C ATOM 271 C GLY A 21 -1.388 -13.382 -29.102 1.00 35.43 C ATOM 272 O GLY A 21 -2.448 -12.891 -28.714 1.00 14.33 O ATOM 0 H GLY A 21 -0.165 -10.577 -28.715 1.00 2.10 H new ATOM 0 HA2 GLY A 21 0.108 -12.799 -30.515 1.00 50.52 H new ATOM 0 HA3 GLY A 21 0.620 -12.694 -28.842 1.00 50.52 H new ATOM 276 N PRO A 22 -1.204 -14.708 -29.184 1.00 64.42 N ATOM 277 CA PRO A 22 -2.242 -15.677 -28.821 1.00 14.42 C ATOM 278 C PRO A 22 -2.506 -15.708 -27.319 1.00 63.11 C ATOM 279 O PRO A 22 -1.620 -15.414 -26.517 1.00 60.25 O ATOM 280 CB PRO A 22 -1.662 -17.013 -29.290 1.00 4.10 C ATOM 281 CG PRO A 22 -0.186 -16.808 -29.281 1.00 60.53 C ATOM 282 CD PRO A 22 0.034 -15.364 -29.638 1.00 61.42 C ATOM 0 HA PRO A 22 -3.203 -15.433 -29.274 1.00 14.42 H new ATOM 0 HB2 PRO A 22 -1.953 -17.826 -28.625 1.00 4.10 H new ATOM 0 HB3 PRO A 22 -2.020 -17.272 -30.286 1.00 4.10 H new ATOM 0 HG2 PRO A 22 0.234 -17.036 -28.301 1.00 60.53 H new ATOM 0 HG3 PRO A 22 0.304 -17.466 -29.999 1.00 60.53 H new ATOM 0 HD2 PRO A 22 0.912 -14.956 -29.138 1.00 61.42 H new ATOM 0 HD3 PRO A 22 0.188 -15.234 -30.709 1.00 61.42 H new ATOM 290 N GLY A 23 -3.730 -16.067 -26.945 1.00 20.32 N ATOM 291 CA GLY A 23 -4.087 -16.131 -25.540 1.00 14.23 C ATOM 292 C GLY A 23 -5.538 -15.765 -25.293 1.00 64.12 C ATOM 293 O GLY A 23 -6.359 -15.743 -26.210 1.00 41.22 O ATOM 0 H GLY A 23 -4.481 -16.315 -27.590 1.00 20.32 H new ATOM 0 HA2 GLY A 23 -3.901 -17.138 -25.167 1.00 14.23 H new ATOM 0 HA3 GLY A 23 -3.444 -15.457 -24.974 1.00 14.23 H new ATOM 297 N PRO A 24 -5.871 -15.471 -24.028 1.00 30.43 N ATOM 298 CA PRO A 24 -4.902 -15.495 -22.928 1.00 31.21 C ATOM 299 C PRO A 24 -4.450 -16.910 -22.584 1.00 34.31 C ATOM 300 O PRO A 24 -5.274 -17.797 -22.357 1.00 65.14 O ATOM 301 CB PRO A 24 -5.677 -14.882 -21.759 1.00 33.21 C ATOM 302 CG PRO A 24 -7.109 -15.146 -22.074 1.00 72.11 C ATOM 303 CD PRO A 24 -7.220 -15.094 -23.573 1.00 2.12 C ATOM 0 HA PRO A 24 -3.987 -14.958 -23.179 1.00 31.21 H new ATOM 0 HB2 PRO A 24 -5.390 -15.337 -20.811 1.00 33.21 H new ATOM 0 HB3 PRO A 24 -5.481 -13.813 -21.671 1.00 33.21 H new ATOM 0 HG2 PRO A 24 -7.419 -16.119 -21.693 1.00 72.11 H new ATOM 0 HG3 PRO A 24 -7.755 -14.401 -21.609 1.00 72.11 H new ATOM 0 HD2 PRO A 24 -7.977 -15.785 -23.944 1.00 2.12 H new ATOM 0 HD3 PRO A 24 -7.498 -14.099 -23.921 1.00 2.12 H new ATOM 311 N SER A 25 -3.138 -17.115 -22.546 1.00 5.20 N ATOM 312 CA SER A 25 -2.576 -18.424 -22.233 1.00 15.34 C ATOM 313 C SER A 25 -2.933 -18.841 -20.809 1.00 0.10 C ATOM 314 O SER A 25 -3.331 -18.025 -19.977 1.00 24.21 O ATOM 315 CB SER A 25 -1.056 -18.405 -22.405 1.00 74.21 C ATOM 316 OG SER A 25 -0.408 -18.098 -21.183 1.00 71.30 O ATOM 0 H SER A 25 -2.443 -16.391 -22.728 1.00 5.20 H new ATOM 0 HA SER A 25 -3.003 -19.150 -22.924 1.00 15.34 H new ATOM 0 HB2 SER A 25 -0.716 -19.375 -22.767 1.00 74.21 H new ATOM 0 HB3 SER A 25 -0.782 -17.669 -23.161 1.00 74.21 H new ATOM 0 HG SER A 25 0.562 -18.094 -21.319 1.00 71.30 H new ATOM 322 N PRO A 26 -2.788 -20.143 -20.521 1.00 3.21 N ATOM 323 CA PRO A 26 -3.088 -20.699 -19.198 1.00 72.35 C ATOM 324 C PRO A 26 -2.085 -20.253 -18.140 1.00 54.31 C ATOM 325 O PRO A 26 -2.431 -20.107 -16.968 1.00 40.41 O ATOM 326 CB PRO A 26 -2.994 -22.211 -19.420 1.00 53.00 C ATOM 327 CG PRO A 26 -2.077 -22.367 -20.584 1.00 15.02 C ATOM 328 CD PRO A 26 -2.318 -21.172 -21.464 1.00 14.20 C ATOM 0 HA PRO A 26 -4.058 -20.368 -18.827 1.00 72.35 H new ATOM 0 HB2 PRO A 26 -2.603 -22.717 -18.537 1.00 53.00 H new ATOM 0 HB3 PRO A 26 -3.973 -22.642 -19.627 1.00 53.00 H new ATOM 0 HG2 PRO A 26 -1.037 -22.409 -20.259 1.00 15.02 H new ATOM 0 HG3 PRO A 26 -2.281 -23.294 -21.120 1.00 15.02 H new ATOM 0 HD2 PRO A 26 -1.408 -20.861 -21.977 1.00 14.20 H new ATOM 0 HD3 PRO A 26 -3.062 -21.382 -22.233 1.00 14.20 H new ATOM 336 N GLN A 27 -0.844 -20.037 -18.562 1.00 25.43 N ATOM 337 CA GLN A 27 0.209 -19.607 -17.649 1.00 31.53 C ATOM 338 C GLN A 27 0.076 -18.123 -17.325 1.00 33.13 C ATOM 339 O GLN A 27 0.491 -17.670 -16.258 1.00 4.02 O ATOM 340 CB GLN A 27 1.585 -19.888 -18.255 1.00 1.22 C ATOM 341 CG GLN A 27 1.791 -21.341 -18.650 1.00 23.23 C ATOM 342 CD GLN A 27 3.104 -21.569 -19.373 1.00 3.14 C ATOM 343 OE1 GLN A 27 4.161 -21.670 -18.748 1.00 53.21 O ATOM 344 NE2 GLN A 27 3.045 -21.652 -20.697 1.00 12.54 N ATOM 0 H GLN A 27 -0.543 -20.152 -19.530 1.00 25.43 H new ATOM 0 HA GLN A 27 0.106 -20.173 -16.723 1.00 31.53 H new ATOM 0 HB2 GLN A 27 1.721 -19.258 -19.134 1.00 1.22 H new ATOM 0 HB3 GLN A 27 2.354 -19.603 -17.537 1.00 1.22 H new ATOM 0 HG2 GLN A 27 1.760 -21.964 -17.756 1.00 23.23 H new ATOM 0 HG3 GLN A 27 0.968 -21.660 -19.290 1.00 23.23 H new ATOM 0 HE21 GLN A 27 2.148 -21.563 -21.174 1.00 12.54 H new ATOM 0 HE22 GLN A 27 3.897 -21.805 -21.237 1.00 12.54 H new ATOM 353 N CYS A 28 -0.506 -17.370 -18.252 1.00 71.11 N ATOM 354 CA CYS A 28 -0.694 -15.936 -18.067 1.00 22.35 C ATOM 355 C CYS A 28 -1.778 -15.659 -17.029 1.00 23.54 C ATOM 356 O CYS A 28 -1.564 -14.908 -16.077 1.00 20.13 O ATOM 357 CB CYS A 28 -1.063 -15.273 -19.395 1.00 0.01 C ATOM 358 SG CYS A 28 -2.118 -13.798 -19.221 1.00 42.15 S ATOM 0 H CYS A 28 -0.856 -17.730 -19.140 1.00 71.11 H new ATOM 0 HA CYS A 28 0.245 -15.515 -17.707 1.00 22.35 H new ATOM 0 HB2 CYS A 28 -0.147 -14.992 -19.916 1.00 0.01 H new ATOM 0 HB3 CYS A 28 -1.576 -16.002 -20.023 1.00 0.01 H new ATOM 363 N CYS A 29 -2.942 -16.272 -17.219 1.00 5.20 N ATOM 364 CA CYS A 29 -4.060 -16.092 -16.301 1.00 23.51 C ATOM 365 C CYS A 29 -3.624 -16.338 -14.859 1.00 54.11 C ATOM 366 O CYS A 29 -4.105 -15.684 -13.934 1.00 72.15 O ATOM 367 CB CYS A 29 -5.205 -17.039 -16.668 1.00 3.43 C ATOM 368 SG CYS A 29 -6.404 -16.333 -17.843 1.00 74.43 S ATOM 0 H CYS A 29 -3.135 -16.898 -18.001 1.00 5.20 H new ATOM 0 HA CYS A 29 -4.407 -15.062 -16.387 1.00 23.51 H new ATOM 0 HB2 CYS A 29 -4.786 -17.950 -17.096 1.00 3.43 H new ATOM 0 HB3 CYS A 29 -5.731 -17.327 -15.757 1.00 3.43 H new ATOM 373 N GLY A 30 -2.710 -17.286 -14.676 1.00 12.12 N ATOM 374 CA GLY A 30 -2.225 -17.601 -13.345 1.00 31.21 C ATOM 375 C GLY A 30 -1.687 -16.383 -12.620 1.00 72.32 C ATOM 376 O GLY A 30 -1.930 -16.204 -11.428 1.00 32.45 O ATOM 0 H GLY A 30 -2.297 -17.841 -15.425 1.00 12.12 H new ATOM 0 HA2 GLY A 30 -3.034 -18.039 -12.761 1.00 31.21 H new ATOM 0 HA3 GLY A 30 -1.440 -18.354 -13.417 1.00 31.21 H new ATOM 380 N GLY A 31 -0.952 -15.543 -13.342 1.00 62.45 N ATOM 381 CA GLY A 31 -0.388 -14.348 -12.744 1.00 1.24 C ATOM 382 C GLY A 31 -1.423 -13.260 -12.535 1.00 60.31 C ATOM 383 O GLY A 31 -1.441 -12.601 -11.496 1.00 3.04 O ATOM 0 H GLY A 31 -0.737 -15.669 -14.331 1.00 62.45 H new ATOM 0 HA2 GLY A 31 0.064 -14.604 -11.786 1.00 1.24 H new ATOM 0 HA3 GLY A 31 0.410 -13.968 -13.382 1.00 1.24 H new ATOM 387 N VAL A 32 -2.288 -13.070 -13.527 1.00 24.43 N ATOM 388 CA VAL A 32 -3.331 -12.055 -13.448 1.00 5.53 C ATOM 389 C VAL A 32 -4.100 -12.158 -12.136 1.00 35.30 C ATOM 390 O VAL A 32 -4.293 -11.164 -11.435 1.00 64.33 O ATOM 391 CB VAL A 32 -4.320 -12.173 -14.622 1.00 31.51 C ATOM 392 CG1 VAL A 32 -5.423 -11.134 -14.498 1.00 55.20 C ATOM 393 CG2 VAL A 32 -3.590 -12.033 -15.949 1.00 55.03 C ATOM 0 H VAL A 32 -2.286 -13.606 -14.395 1.00 24.43 H new ATOM 0 HA VAL A 32 -2.834 -11.086 -13.499 1.00 5.53 H new ATOM 0 HB VAL A 32 -4.780 -13.161 -14.589 1.00 31.51 H new ATOM 0 HG11 VAL A 32 -6.112 -11.233 -15.337 1.00 55.20 H new ATOM 0 HG12 VAL A 32 -5.964 -11.287 -13.564 1.00 55.20 H new ATOM 0 HG13 VAL A 32 -4.985 -10.136 -14.504 1.00 55.20 H new ATOM 0 HG21 VAL A 32 -4.304 -12.119 -16.768 1.00 55.03 H new ATOM 0 HG22 VAL A 32 -3.101 -11.060 -15.994 1.00 55.03 H new ATOM 0 HG23 VAL A 32 -2.841 -12.820 -16.037 1.00 55.03 H new ATOM 403 N LYS A 33 -4.540 -13.369 -11.808 1.00 44.24 N ATOM 404 CA LYS A 33 -5.288 -13.605 -10.579 1.00 62.14 C ATOM 405 C LYS A 33 -4.464 -13.212 -9.357 1.00 75.10 C ATOM 406 O LYS A 33 -4.981 -12.611 -8.415 1.00 3.31 O ATOM 407 CB LYS A 33 -5.695 -15.077 -10.481 1.00 55.12 C ATOM 408 CG LYS A 33 -6.666 -15.513 -11.565 1.00 51.11 C ATOM 409 CD LYS A 33 -6.350 -16.912 -12.066 1.00 74.23 C ATOM 410 CE LYS A 33 -7.303 -17.335 -13.174 1.00 61.41 C ATOM 411 NZ LYS A 33 -8.103 -18.532 -12.791 1.00 3.40 N ATOM 0 H LYS A 33 -4.391 -14.202 -12.377 1.00 44.24 H new ATOM 0 HA LYS A 33 -6.185 -12.987 -10.604 1.00 62.14 H new ATOM 0 HB2 LYS A 33 -4.800 -15.697 -10.536 1.00 55.12 H new ATOM 0 HB3 LYS A 33 -6.148 -15.256 -9.506 1.00 55.12 H new ATOM 0 HG2 LYS A 33 -7.684 -15.486 -11.175 1.00 51.11 H new ATOM 0 HG3 LYS A 33 -6.624 -14.810 -12.397 1.00 51.11 H new ATOM 0 HD2 LYS A 33 -5.325 -16.945 -12.434 1.00 74.23 H new ATOM 0 HD3 LYS A 33 -6.415 -17.619 -11.239 1.00 74.23 H new ATOM 0 HE2 LYS A 33 -7.975 -16.510 -13.410 1.00 61.41 H new ATOM 0 HE3 LYS A 33 -6.735 -17.552 -14.078 1.00 61.41 H new ATOM 0 HZ1 LYS A 33 -8.740 -18.788 -13.572 1.00 3.40 H new ATOM 0 HZ2 LYS A 33 -7.464 -19.327 -12.590 1.00 3.40 H new ATOM 0 HZ3 LYS A 33 -8.665 -18.317 -11.943 1.00 3.40 H new ATOM 425 N LYS A 34 -3.181 -13.554 -9.379 1.00 62.31 N ATOM 426 CA LYS A 34 -2.284 -13.235 -8.274 1.00 73.14 C ATOM 427 C LYS A 34 -2.134 -11.726 -8.115 1.00 3.35 C ATOM 428 O LYS A 34 -2.079 -11.212 -6.996 1.00 44.13 O ATOM 429 CB LYS A 34 -0.912 -13.874 -8.503 1.00 14.21 C ATOM 430 CG LYS A 34 0.118 -13.494 -7.454 1.00 11.43 C ATOM 431 CD LYS A 34 1.126 -14.609 -7.233 1.00 3.52 C ATOM 432 CE LYS A 34 2.408 -14.084 -6.604 1.00 63.13 C ATOM 433 NZ LYS A 34 2.300 -13.987 -5.122 1.00 51.32 N ATOM 0 H LYS A 34 -2.738 -14.053 -10.151 1.00 62.31 H new ATOM 0 HA LYS A 34 -2.717 -13.638 -7.358 1.00 73.14 H new ATOM 0 HB2 LYS A 34 -1.023 -14.958 -8.515 1.00 14.21 H new ATOM 0 HB3 LYS A 34 -0.543 -13.580 -9.486 1.00 14.21 H new ATOM 0 HG2 LYS A 34 0.638 -12.588 -7.765 1.00 11.43 H new ATOM 0 HG3 LYS A 34 -0.385 -13.266 -6.514 1.00 11.43 H new ATOM 0 HD2 LYS A 34 0.690 -15.373 -6.589 1.00 3.52 H new ATOM 0 HD3 LYS A 34 1.356 -15.087 -8.185 1.00 3.52 H new ATOM 0 HE2 LYS A 34 3.237 -14.742 -6.865 1.00 63.13 H new ATOM 0 HE3 LYS A 34 2.639 -13.102 -7.016 1.00 63.13 H new ATOM 0 HZ1 LYS A 34 3.194 -13.625 -4.732 1.00 51.32 H new ATOM 0 HZ2 LYS A 34 1.526 -13.339 -4.872 1.00 51.32 H new ATOM 0 HZ3 LYS A 34 2.105 -14.929 -4.726 1.00 51.32 H new ATOM 447 N LEU A 35 -2.069 -11.020 -9.238 1.00 51.01 N ATOM 448 CA LEU A 35 -1.927 -9.568 -9.223 1.00 24.23 C ATOM 449 C LEU A 35 -3.169 -8.905 -8.636 1.00 22.41 C ATOM 450 O LEU A 35 -3.075 -8.090 -7.717 1.00 74.21 O ATOM 451 CB LEU A 35 -1.676 -9.046 -10.638 1.00 52.53 C ATOM 452 CG LEU A 35 -1.848 -7.539 -10.838 1.00 32.31 C ATOM 453 CD1 LEU A 35 -0.987 -6.768 -9.850 1.00 23.20 C ATOM 454 CD2 LEU A 35 -1.504 -7.148 -12.268 1.00 23.04 C ATOM 0 H LEU A 35 -2.112 -11.429 -10.171 1.00 51.01 H new ATOM 0 HA LEU A 35 -1.073 -9.318 -8.594 1.00 24.23 H new ATOM 0 HB2 LEU A 35 -0.661 -9.317 -10.929 1.00 52.53 H new ATOM 0 HB3 LEU A 35 -2.352 -9.562 -11.319 1.00 52.53 H new ATOM 0 HG LEU A 35 -2.892 -7.284 -10.654 1.00 32.31 H new ATOM 0 HD11 LEU A 35 -1.122 -5.698 -10.007 1.00 23.20 H new ATOM 0 HD12 LEU A 35 -1.281 -7.025 -8.833 1.00 23.20 H new ATOM 0 HD13 LEU A 35 0.061 -7.027 -10.001 1.00 23.20 H new ATOM 0 HD21 LEU A 35 -1.632 -6.073 -12.392 1.00 23.04 H new ATOM 0 HD22 LEU A 35 -0.469 -7.417 -12.480 1.00 23.04 H new ATOM 0 HD23 LEU A 35 -2.164 -7.674 -12.958 1.00 23.04 H new ATOM 466 N LEU A 36 -4.331 -9.262 -9.171 1.00 14.43 N ATOM 467 CA LEU A 36 -5.594 -8.703 -8.699 1.00 22.13 C ATOM 468 C LEU A 36 -5.872 -9.127 -7.260 1.00 54.40 C ATOM 469 O LEU A 36 -6.381 -8.343 -6.459 1.00 53.34 O ATOM 470 CB LEU A 36 -6.742 -9.149 -9.605 1.00 72.42 C ATOM 471 CG LEU A 36 -6.785 -8.514 -10.996 1.00 35.54 C ATOM 472 CD1 LEU A 36 -7.832 -9.197 -11.862 1.00 35.22 C ATOM 473 CD2 LEU A 36 -7.067 -7.023 -10.892 1.00 43.40 C ATOM 0 H LEU A 36 -4.426 -9.935 -9.931 1.00 14.43 H new ATOM 0 HA LEU A 36 -5.517 -7.616 -8.730 1.00 22.13 H new ATOM 0 HB2 LEU A 36 -6.686 -10.231 -9.723 1.00 72.42 H new ATOM 0 HB3 LEU A 36 -7.683 -8.932 -9.099 1.00 72.42 H new ATOM 0 HG LEU A 36 -5.811 -8.648 -11.466 1.00 35.54 H new ATOM 0 HD11 LEU A 36 -7.848 -8.732 -12.848 1.00 35.22 H new ATOM 0 HD12 LEU A 36 -7.587 -10.254 -11.963 1.00 35.22 H new ATOM 0 HD13 LEU A 36 -8.812 -9.095 -11.396 1.00 35.22 H new ATOM 0 HD21 LEU A 36 -7.094 -6.587 -11.891 1.00 43.40 H new ATOM 0 HD22 LEU A 36 -8.028 -6.868 -10.402 1.00 43.40 H new ATOM 0 HD23 LEU A 36 -6.281 -6.544 -10.308 1.00 43.40 H new ATOM 485 N ALA A 37 -5.533 -10.371 -6.939 1.00 14.34 N ATOM 486 CA ALA A 37 -5.743 -10.897 -5.596 1.00 10.15 C ATOM 487 C ALA A 37 -4.889 -10.153 -4.575 1.00 0.52 C ATOM 488 O ALA A 37 -5.194 -10.146 -3.383 1.00 33.13 O ATOM 489 CB ALA A 37 -5.435 -12.386 -5.558 1.00 71.52 C ATOM 0 H ALA A 37 -5.112 -11.033 -7.591 1.00 14.34 H new ATOM 0 HA ALA A 37 -6.790 -10.747 -5.334 1.00 10.15 H new ATOM 0 HB1 ALA A 37 -5.596 -12.765 -4.549 1.00 71.52 H new ATOM 0 HB2 ALA A 37 -6.091 -12.911 -6.252 1.00 71.52 H new ATOM 0 HB3 ALA A 37 -4.397 -12.550 -5.846 1.00 71.52 H new ATOM 495 N ALA A 38 -3.817 -9.527 -5.051 1.00 14.24 N ATOM 496 CA ALA A 38 -2.920 -8.778 -4.179 1.00 71.42 C ATOM 497 C ALA A 38 -3.439 -7.365 -3.941 1.00 13.44 C ATOM 498 O ALA A 38 -3.300 -6.818 -2.847 1.00 24.43 O ATOM 499 CB ALA A 38 -1.521 -8.735 -4.775 1.00 25.34 C ATOM 0 H ALA A 38 -3.549 -9.524 -6.035 1.00 14.24 H new ATOM 0 HA ALA A 38 -2.878 -9.288 -3.217 1.00 71.42 H new ATOM 0 HB1 ALA A 38 -0.861 -8.173 -4.114 1.00 25.34 H new ATOM 0 HB2 ALA A 38 -1.142 -9.751 -4.888 1.00 25.34 H new ATOM 0 HB3 ALA A 38 -1.556 -8.250 -5.751 1.00 25.34 H new ATOM 505 N ALA A 39 -4.038 -6.777 -4.971 1.00 61.25 N ATOM 506 CA ALA A 39 -4.579 -5.427 -4.873 1.00 20.31 C ATOM 507 C ALA A 39 -5.913 -5.423 -4.134 1.00 71.23 C ATOM 508 O ALA A 39 -6.968 -5.238 -4.740 1.00 22.20 O ATOM 509 CB ALA A 39 -4.739 -4.820 -6.259 1.00 21.31 C ATOM 0 H ALA A 39 -4.161 -7.215 -5.884 1.00 61.25 H new ATOM 0 HA ALA A 39 -3.875 -4.821 -4.303 1.00 20.31 H new ATOM 0 HB1 ALA A 39 -5.144 -3.812 -6.170 1.00 21.31 H new ATOM 0 HB2 ALA A 39 -3.768 -4.779 -6.752 1.00 21.31 H new ATOM 0 HB3 ALA A 39 -5.420 -5.434 -6.849 1.00 21.31 H new ATOM 515 N ASN A 40 -5.859 -5.629 -2.822 1.00 64.24 N ATOM 516 CA ASN A 40 -7.064 -5.650 -2.001 1.00 63.44 C ATOM 517 C ASN A 40 -7.222 -4.341 -1.234 1.00 74.22 C ATOM 518 O ASN A 40 -8.260 -4.090 -0.620 1.00 41.31 O ATOM 519 CB ASN A 40 -7.019 -6.826 -1.023 1.00 4.32 C ATOM 520 CG ASN A 40 -8.288 -6.942 -0.201 1.00 25.54 C ATOM 521 OD1 ASN A 40 -9.300 -7.460 -0.672 1.00 32.44 O ATOM 522 ND2 ASN A 40 -8.238 -6.460 1.035 1.00 1.45 N ATOM 0 H ASN A 40 -4.994 -5.784 -2.305 1.00 64.24 H new ATOM 0 HA ASN A 40 -7.923 -5.769 -2.662 1.00 63.44 H new ATOM 0 HB2 ASN A 40 -6.863 -7.751 -1.578 1.00 4.32 H new ATOM 0 HB3 ASN A 40 -6.166 -6.707 -0.355 1.00 4.32 H new ATOM 0 HD21 ASN A 40 -9.061 -6.511 1.636 1.00 1.45 H new ATOM 0 HD22 ASN A 40 -7.377 -6.039 1.384 1.00 1.45 H new ATOM 529 N THR A 41 -6.187 -3.509 -1.274 1.00 45.21 N ATOM 530 CA THR A 41 -6.210 -2.226 -0.583 1.00 41.10 C ATOM 531 C THR A 41 -6.270 -1.069 -1.574 1.00 14.24 C ATOM 532 O THR A 41 -6.129 -1.263 -2.782 1.00 34.25 O ATOM 533 CB THR A 41 -4.973 -2.051 0.318 1.00 12.25 C ATOM 534 OG1 THR A 41 -3.924 -2.925 -0.114 1.00 14.25 O ATOM 535 CG2 THR A 41 -5.317 -2.342 1.771 1.00 31.44 C ATOM 0 H THR A 41 -5.321 -3.701 -1.778 1.00 45.21 H new ATOM 0 HA THR A 41 -7.106 -2.217 0.037 1.00 41.10 H new ATOM 0 HB THR A 41 -4.638 -1.017 0.241 1.00 12.25 H new ATOM 0 HG1 THR A 41 -3.282 -3.051 0.615 1.00 14.25 H new ATOM 0 HG21 THR A 41 -4.428 -2.212 2.388 1.00 31.44 H new ATOM 0 HG22 THR A 41 -6.095 -1.655 2.105 1.00 31.44 H new ATOM 0 HG23 THR A 41 -5.675 -3.368 1.862 1.00 31.44 H new ATOM 543 N THR A 42 -6.480 0.137 -1.056 1.00 15.44 N ATOM 544 CA THR A 42 -6.560 1.326 -1.895 1.00 11.33 C ATOM 545 C THR A 42 -5.207 1.652 -2.517 1.00 20.14 C ATOM 546 O THR A 42 -5.072 1.787 -3.733 1.00 11.01 O ATOM 547 CB THR A 42 -7.051 2.547 -1.094 1.00 55.11 C ATOM 548 OG1 THR A 42 -8.481 2.536 -1.013 1.00 11.43 O ATOM 549 CG2 THR A 42 -6.585 3.842 -1.742 1.00 11.34 C ATOM 0 H THR A 42 -6.598 0.316 -0.059 1.00 15.44 H new ATOM 0 HA THR A 42 -7.277 1.107 -2.686 1.00 11.33 H new ATOM 0 HB THR A 42 -6.630 2.489 -0.090 1.00 55.11 H new ATOM 0 HG1 THR A 42 -8.786 3.314 -0.501 1.00 11.43 H new ATOM 0 HG21 THR A 42 -6.944 4.690 -1.159 1.00 11.34 H new ATOM 0 HG22 THR A 42 -5.496 3.860 -1.777 1.00 11.34 H new ATOM 0 HG23 THR A 42 -6.981 3.905 -2.755 1.00 11.34 H new ATOM 557 N PRO A 43 -4.179 1.781 -1.665 1.00 21.22 N ATOM 558 CA PRO A 43 -2.817 2.091 -2.109 1.00 41.01 C ATOM 559 C PRO A 43 -2.175 0.931 -2.862 1.00 44.24 C ATOM 560 O PRO A 43 -1.122 1.088 -3.481 1.00 60.45 O ATOM 561 CB PRO A 43 -2.069 2.358 -0.801 1.00 11.25 C ATOM 562 CG PRO A 43 -2.828 1.597 0.231 1.00 4.24 C ATOM 563 CD PRO A 43 -4.267 1.633 -0.202 1.00 40.23 C ATOM 0 HA PRO A 43 -2.797 2.929 -2.806 1.00 41.01 H new ATOM 0 HB2 PRO A 43 -1.034 2.021 -0.861 1.00 11.25 H new ATOM 0 HB3 PRO A 43 -2.044 3.423 -0.569 1.00 11.25 H new ATOM 0 HG2 PRO A 43 -2.468 0.571 0.302 1.00 4.24 H new ATOM 0 HG3 PRO A 43 -2.706 2.047 1.216 1.00 4.24 H new ATOM 0 HD2 PRO A 43 -4.794 0.721 0.079 1.00 40.23 H new ATOM 0 HD3 PRO A 43 -4.803 2.465 0.255 1.00 40.23 H new ATOM 571 N ASP A 44 -2.815 -0.231 -2.806 1.00 63.50 N ATOM 572 CA ASP A 44 -2.306 -1.418 -3.485 1.00 12.13 C ATOM 573 C ASP A 44 -2.813 -1.481 -4.922 1.00 35.10 C ATOM 574 O ASP A 44 -2.097 -1.914 -5.825 1.00 12.11 O ATOM 575 CB ASP A 44 -2.721 -2.681 -2.728 1.00 63.14 C ATOM 576 CG ASP A 44 -1.750 -3.037 -1.620 1.00 0.24 C ATOM 577 OD1 ASP A 44 -1.616 -4.240 -1.311 1.00 13.31 O ATOM 578 OD2 ASP A 44 -1.123 -2.113 -1.061 1.00 53.52 O ATOM 0 H ASP A 44 -3.687 -0.377 -2.298 1.00 63.50 H new ATOM 0 HA ASP A 44 -1.218 -1.357 -3.505 1.00 12.13 H new ATOM 0 HB2 ASP A 44 -3.715 -2.537 -2.304 1.00 63.14 H new ATOM 0 HB3 ASP A 44 -2.791 -3.514 -3.428 1.00 63.14 H new ATOM 583 N ARG A 45 -4.053 -1.048 -5.126 1.00 51.42 N ATOM 584 CA ARG A 45 -4.657 -1.057 -6.453 1.00 61.22 C ATOM 585 C ARG A 45 -4.098 0.073 -7.313 1.00 63.40 C ATOM 586 O ARG A 45 -3.796 -0.122 -8.490 1.00 60.41 O ATOM 587 CB ARG A 45 -6.177 -0.926 -6.346 1.00 33.21 C ATOM 588 CG ARG A 45 -6.822 -2.000 -5.485 1.00 21.11 C ATOM 589 CD ARG A 45 -7.689 -2.934 -6.315 1.00 44.10 C ATOM 590 NE ARG A 45 -8.889 -3.350 -5.596 1.00 33.55 N ATOM 591 CZ ARG A 45 -9.894 -4.009 -6.162 1.00 30.40 C ATOM 592 NH1 ARG A 45 -9.842 -4.325 -7.449 1.00 32.54 N ATOM 593 NH2 ARG A 45 -10.953 -4.354 -5.441 1.00 33.00 N ATOM 0 H ARG A 45 -4.659 -0.687 -4.389 1.00 51.42 H new ATOM 0 HA ARG A 45 -4.413 -2.007 -6.929 1.00 61.22 H new ATOM 0 HB2 ARG A 45 -6.421 0.053 -5.934 1.00 33.21 H new ATOM 0 HB3 ARG A 45 -6.608 -0.967 -7.346 1.00 33.21 H new ATOM 0 HG2 ARG A 45 -6.047 -2.575 -4.978 1.00 21.11 H new ATOM 0 HG3 ARG A 45 -7.429 -1.531 -4.710 1.00 21.11 H new ATOM 0 HD2 ARG A 45 -7.976 -2.435 -7.241 1.00 44.10 H new ATOM 0 HD3 ARG A 45 -7.110 -3.814 -6.593 1.00 44.10 H new ATOM 0 HE ARG A 45 -8.960 -3.122 -4.604 1.00 33.55 H new ATOM 0 HH11 ARG A 45 -9.029 -4.062 -8.006 1.00 32.54 H new ATOM 0 HH12 ARG A 45 -10.615 -4.831 -7.882 1.00 32.54 H new ATOM 0 HH21 ARG A 45 -10.996 -4.113 -4.451 1.00 33.00 H new ATOM 0 HH22 ARG A 45 -11.724 -4.860 -5.877 1.00 33.00 H new ATOM 607 N GLN A 46 -3.963 1.253 -6.716 1.00 74.43 N ATOM 608 CA GLN A 46 -3.442 2.413 -7.428 1.00 42.15 C ATOM 609 C GLN A 46 -2.058 2.124 -8.000 1.00 43.32 C ATOM 610 O GLN A 46 -1.851 2.183 -9.212 1.00 14.01 O ATOM 611 CB GLN A 46 -3.379 3.624 -6.496 1.00 41.21 C ATOM 612 CG GLN A 46 -4.722 3.995 -5.889 1.00 54.34 C ATOM 613 CD GLN A 46 -4.586 4.889 -4.673 1.00 14.43 C ATOM 614 OE1 GLN A 46 -3.646 4.752 -3.889 1.00 53.33 O ATOM 615 NE2 GLN A 46 -5.527 5.812 -4.508 1.00 4.50 N ATOM 0 H GLN A 46 -4.207 1.430 -5.742 1.00 74.43 H new ATOM 0 HA GLN A 46 -4.118 2.634 -8.254 1.00 42.15 H new ATOM 0 HB2 GLN A 46 -2.671 3.418 -5.693 1.00 41.21 H new ATOM 0 HB3 GLN A 46 -2.992 4.479 -7.050 1.00 41.21 H new ATOM 0 HG2 GLN A 46 -5.329 4.500 -6.640 1.00 54.34 H new ATOM 0 HG3 GLN A 46 -5.253 3.085 -5.609 1.00 54.34 H new ATOM 0 HE21 GLN A 46 -6.288 5.890 -5.182 1.00 4.50 H new ATOM 0 HE22 GLN A 46 -5.488 6.442 -3.707 1.00 4.50 H new ATOM 624 N ALA A 47 -1.112 1.813 -7.120 1.00 34.45 N ATOM 625 CA ALA A 47 0.252 1.513 -7.537 1.00 34.01 C ATOM 626 C ALA A 47 0.274 0.413 -8.593 1.00 55.31 C ATOM 627 O ALA A 47 0.922 0.549 -9.630 1.00 70.42 O ATOM 628 CB ALA A 47 1.095 1.111 -6.336 1.00 32.21 C ATOM 0 H ALA A 47 -1.266 1.762 -6.113 1.00 34.45 H new ATOM 0 HA ALA A 47 0.676 2.414 -7.980 1.00 34.01 H new ATOM 0 HB1 ALA A 47 2.111 0.890 -6.662 1.00 32.21 H new ATOM 0 HB2 ALA A 47 1.115 1.929 -5.616 1.00 32.21 H new ATOM 0 HB3 ALA A 47 0.663 0.226 -5.868 1.00 32.21 H new ATOM 634 N ALA A 48 -0.439 -0.676 -8.322 1.00 4.51 N ATOM 635 CA ALA A 48 -0.502 -1.798 -9.250 1.00 5.12 C ATOM 636 C ALA A 48 -0.898 -1.333 -10.647 1.00 65.42 C ATOM 637 O ALA A 48 -0.176 -1.566 -11.618 1.00 33.43 O ATOM 638 CB ALA A 48 -1.480 -2.847 -8.743 1.00 60.22 C ATOM 0 H ALA A 48 -0.981 -0.804 -7.467 1.00 4.51 H new ATOM 0 HA ALA A 48 0.491 -2.243 -9.312 1.00 5.12 H new ATOM 0 HB1 ALA A 48 -1.517 -3.679 -9.446 1.00 60.22 H new ATOM 0 HB2 ALA A 48 -1.152 -3.209 -7.769 1.00 60.22 H new ATOM 0 HB3 ALA A 48 -2.472 -2.405 -8.651 1.00 60.22 H new ATOM 644 N CYS A 49 -2.048 -0.676 -10.743 1.00 52.11 N ATOM 645 CA CYS A 49 -2.542 -0.179 -12.022 1.00 25.31 C ATOM 646 C CYS A 49 -1.580 0.847 -12.615 1.00 22.34 C ATOM 647 O CYS A 49 -1.065 0.666 -13.717 1.00 73.42 O ATOM 648 CB CYS A 49 -3.928 0.445 -11.850 1.00 61.40 C ATOM 649 SG CYS A 49 -4.687 1.010 -13.407 1.00 31.44 S ATOM 0 H CYS A 49 -2.657 -0.475 -9.950 1.00 52.11 H new ATOM 0 HA CYS A 49 -2.614 -1.023 -12.708 1.00 25.31 H new ATOM 0 HB2 CYS A 49 -4.588 -0.285 -11.380 1.00 61.40 H new ATOM 0 HB3 CYS A 49 -3.852 1.291 -11.167 1.00 61.40 H new ATOM 654 N ASN A 50 -1.342 1.924 -11.874 1.00 15.25 N ATOM 655 CA ASN A 50 -0.443 2.980 -12.325 1.00 70.53 C ATOM 656 C ASN A 50 0.866 2.393 -12.845 1.00 2.13 C ATOM 657 O ASN A 50 1.435 2.884 -13.820 1.00 63.23 O ATOM 658 CB ASN A 50 -0.159 3.959 -11.185 1.00 11.21 C ATOM 659 CG ASN A 50 -1.416 4.645 -10.685 1.00 71.14 C ATOM 660 OD1 ASN A 50 -2.314 4.965 -11.465 1.00 24.21 O ATOM 661 ND2 ASN A 50 -1.486 4.874 -9.379 1.00 45.22 N ATOM 0 H ASN A 50 -1.759 2.089 -10.958 1.00 15.25 H new ATOM 0 HA ASN A 50 -0.931 3.515 -13.140 1.00 70.53 H new ATOM 0 HB2 ASN A 50 0.313 3.425 -10.360 1.00 11.21 H new ATOM 0 HB3 ASN A 50 0.552 4.712 -11.525 1.00 11.21 H new ATOM 0 HD21 ASN A 50 -2.308 5.332 -8.985 1.00 45.22 H new ATOM 0 HD22 ASN A 50 -0.718 4.592 -8.770 1.00 45.22 H new ATOM 668 N CYS A 51 1.339 1.340 -12.187 1.00 34.24 N ATOM 669 CA CYS A 51 2.580 0.685 -12.581 1.00 2.25 C ATOM 670 C CYS A 51 2.472 0.120 -13.994 1.00 23.53 C ATOM 671 O CYS A 51 3.390 0.262 -14.803 1.00 72.21 O ATOM 672 CB CYS A 51 2.926 -0.434 -11.596 1.00 74.23 C ATOM 673 SG CYS A 51 3.961 0.100 -10.196 1.00 11.30 S ATOM 0 H CYS A 51 0.881 0.922 -11.377 1.00 34.24 H new ATOM 0 HA CYS A 51 3.375 1.430 -12.567 1.00 2.25 H new ATOM 0 HB2 CYS A 51 2.001 -0.860 -11.208 1.00 74.23 H new ATOM 0 HB3 CYS A 51 3.443 -1.229 -12.133 1.00 74.23 H new ATOM 678 N LEU A 52 1.346 -0.522 -14.284 1.00 13.05 N ATOM 679 CA LEU A 52 1.116 -1.109 -15.599 1.00 65.31 C ATOM 680 C LEU A 52 0.736 -0.037 -16.615 1.00 71.32 C ATOM 681 O LEU A 52 1.017 -0.168 -17.807 1.00 11.12 O ATOM 682 CB LEU A 52 0.016 -2.169 -15.522 1.00 14.44 C ATOM 683 CG LEU A 52 0.248 -3.307 -14.528 1.00 24.12 C ATOM 684 CD1 LEU A 52 -0.850 -4.352 -14.647 1.00 21.34 C ATOM 685 CD2 LEU A 52 1.615 -3.939 -14.751 1.00 13.22 C ATOM 0 H LEU A 52 0.577 -0.649 -13.626 1.00 13.05 H new ATOM 0 HA LEU A 52 2.043 -1.581 -15.926 1.00 65.31 H new ATOM 0 HB2 LEU A 52 -0.920 -1.674 -15.264 1.00 14.44 H new ATOM 0 HB3 LEU A 52 -0.114 -2.601 -16.514 1.00 14.44 H new ATOM 0 HG LEU A 52 0.220 -2.894 -13.519 1.00 24.12 H new ATOM 0 HD11 LEU A 52 -0.668 -5.154 -13.932 1.00 21.34 H new ATOM 0 HD12 LEU A 52 -1.815 -3.891 -14.437 1.00 21.34 H new ATOM 0 HD13 LEU A 52 -0.855 -4.761 -15.657 1.00 21.34 H new ATOM 0 HD21 LEU A 52 1.763 -4.747 -14.035 1.00 13.22 H new ATOM 0 HD22 LEU A 52 1.671 -4.337 -15.764 1.00 13.22 H new ATOM 0 HD23 LEU A 52 2.391 -3.186 -14.614 1.00 13.22 H new ATOM 697 N LYS A 53 0.096 1.024 -16.136 1.00 43.21 N ATOM 698 CA LYS A 53 -0.320 2.122 -17.001 1.00 33.22 C ATOM 699 C LYS A 53 0.889 2.813 -17.623 1.00 14.53 C ATOM 700 O LYS A 53 0.869 3.181 -18.797 1.00 62.45 O ATOM 701 CB LYS A 53 -1.150 3.135 -16.209 1.00 42.41 C ATOM 702 CG LYS A 53 -2.380 2.534 -15.552 1.00 23.34 C ATOM 703 CD LYS A 53 -3.632 3.331 -15.876 1.00 2.12 C ATOM 704 CE LYS A 53 -4.429 2.685 -16.999 1.00 1.05 C ATOM 705 NZ LYS A 53 -5.521 1.818 -16.476 1.00 10.13 N ATOM 0 H LYS A 53 -0.146 1.147 -15.153 1.00 43.21 H new ATOM 0 HA LYS A 53 -0.931 1.709 -17.803 1.00 33.22 H new ATOM 0 HB2 LYS A 53 -0.522 3.585 -15.441 1.00 42.41 H new ATOM 0 HB3 LYS A 53 -1.461 3.938 -16.877 1.00 42.41 H new ATOM 0 HG2 LYS A 53 -2.506 1.505 -15.887 1.00 23.34 H new ATOM 0 HG3 LYS A 53 -2.238 2.502 -14.472 1.00 23.34 H new ATOM 0 HD2 LYS A 53 -4.255 3.410 -14.985 1.00 2.12 H new ATOM 0 HD3 LYS A 53 -3.355 4.346 -16.162 1.00 2.12 H new ATOM 0 HE2 LYS A 53 -4.855 3.461 -17.635 1.00 1.05 H new ATOM 0 HE3 LYS A 53 -3.761 2.091 -17.623 1.00 1.05 H new ATOM 0 HZ1 LYS A 53 -5.498 0.899 -16.963 1.00 10.13 H new ATOM 0 HZ2 LYS A 53 -5.389 1.672 -15.455 1.00 10.13 H new ATOM 0 HZ3 LYS A 53 -6.439 2.277 -16.644 1.00 10.13 H new ATOM 719 N SER A 54 1.940 2.987 -16.828 1.00 34.33 N ATOM 720 CA SER A 54 3.157 3.636 -17.300 1.00 54.41 C ATOM 721 C SER A 54 3.938 2.715 -18.232 1.00 55.02 C ATOM 722 O SER A 54 4.410 3.137 -19.287 1.00 43.10 O ATOM 723 CB SER A 54 4.034 4.045 -16.116 1.00 4.24 C ATOM 724 OG SER A 54 4.797 5.200 -16.421 1.00 21.12 O ATOM 0 H SER A 54 1.973 2.687 -15.854 1.00 34.33 H new ATOM 0 HA SER A 54 2.871 4.529 -17.856 1.00 54.41 H new ATOM 0 HB2 SER A 54 3.408 4.239 -15.245 1.00 4.24 H new ATOM 0 HB3 SER A 54 4.701 3.224 -15.853 1.00 4.24 H new ATOM 0 HG SER A 54 5.348 5.442 -15.647 1.00 21.12 H new ATOM 730 N ALA A 55 4.068 1.454 -17.834 1.00 62.22 N ATOM 731 CA ALA A 55 4.790 0.471 -18.634 1.00 15.33 C ATOM 732 C ALA A 55 4.049 0.170 -19.932 1.00 61.03 C ATOM 733 O ALA A 55 4.613 -0.411 -20.859 1.00 22.01 O ATOM 734 CB ALA A 55 5.000 -0.807 -17.835 1.00 43.43 C ATOM 0 H ALA A 55 3.683 1.089 -16.963 1.00 62.22 H new ATOM 0 HA ALA A 55 5.763 0.890 -18.890 1.00 15.33 H new ATOM 0 HB1 ALA A 55 5.540 -1.532 -18.444 1.00 43.43 H new ATOM 0 HB2 ALA A 55 5.578 -0.584 -16.938 1.00 43.43 H new ATOM 0 HB3 ALA A 55 4.033 -1.221 -17.550 1.00 43.43 H new ATOM 740 N ALA A 56 2.783 0.568 -19.992 1.00 14.20 N ATOM 741 CA ALA A 56 1.966 0.342 -21.178 1.00 33.43 C ATOM 742 C ALA A 56 2.197 1.430 -22.220 1.00 42.31 C ATOM 743 O ALA A 56 2.086 1.187 -23.421 1.00 4.21 O ATOM 744 CB ALA A 56 0.493 0.275 -20.799 1.00 65.14 C ATOM 0 H ALA A 56 2.300 1.049 -19.233 1.00 14.20 H new ATOM 0 HA ALA A 56 2.261 -0.611 -21.616 1.00 33.43 H new ATOM 0 HB1 ALA A 56 -0.106 0.106 -21.694 1.00 65.14 H new ATOM 0 HB2 ALA A 56 0.335 -0.543 -20.097 1.00 65.14 H new ATOM 0 HB3 ALA A 56 0.194 1.215 -20.335 1.00 65.14 H new ATOM 750 N GLY A 57 2.519 2.633 -21.752 1.00 71.31 N ATOM 751 CA GLY A 57 2.760 3.741 -22.658 1.00 31.15 C ATOM 752 C GLY A 57 3.932 3.487 -23.585 1.00 55.33 C ATOM 753 O GLY A 57 4.015 4.072 -24.665 1.00 51.32 O ATOM 0 H GLY A 57 2.617 2.859 -20.762 1.00 71.31 H new ATOM 0 HA2 GLY A 57 1.864 3.923 -23.251 1.00 31.15 H new ATOM 0 HA3 GLY A 57 2.948 4.645 -22.079 1.00 31.15 H new ATOM 757 N SER A 58 4.840 2.614 -23.163 1.00 63.14 N ATOM 758 CA SER A 58 6.016 2.288 -23.962 1.00 2.31 C ATOM 759 C SER A 58 5.732 1.114 -24.894 1.00 12.41 C ATOM 760 O SER A 58 6.615 0.655 -25.618 1.00 43.15 O ATOM 761 CB SER A 58 7.201 1.957 -23.052 1.00 73.32 C ATOM 762 OG SER A 58 7.624 3.099 -22.329 1.00 12.41 O ATOM 0 H SER A 58 4.785 2.119 -22.273 1.00 63.14 H new ATOM 0 HA SER A 58 6.265 3.158 -24.569 1.00 2.31 H new ATOM 0 HB2 SER A 58 6.920 1.166 -22.357 1.00 73.32 H new ATOM 0 HB3 SER A 58 8.028 1.575 -23.651 1.00 73.32 H new ATOM 0 HG SER A 58 8.381 2.860 -21.754 1.00 12.41 H new ATOM 768 N ILE A 59 4.493 0.634 -24.869 1.00 43.01 N ATOM 769 CA ILE A 59 4.092 -0.485 -25.712 1.00 35.30 C ATOM 770 C ILE A 59 3.227 -0.014 -26.877 1.00 5.03 C ATOM 771 O ILE A 59 2.189 0.619 -26.679 1.00 25.41 O ATOM 772 CB ILE A 59 3.316 -1.545 -24.908 1.00 73.30 C ATOM 773 CG1 ILE A 59 3.936 -1.719 -23.520 1.00 52.10 C ATOM 774 CG2 ILE A 59 3.299 -2.870 -25.656 1.00 41.01 C ATOM 775 CD1 ILE A 59 3.242 -2.764 -22.674 1.00 54.45 C ATOM 0 H ILE A 59 3.750 1.002 -24.275 1.00 43.01 H new ATOM 0 HA ILE A 59 5.008 -0.932 -26.100 1.00 35.30 H new ATOM 0 HB ILE A 59 2.287 -1.206 -24.786 1.00 73.30 H new ATOM 0 HG12 ILE A 59 4.985 -1.992 -23.631 1.00 52.10 H new ATOM 0 HG13 ILE A 59 3.909 -0.763 -22.997 1.00 52.10 H new ATOM 0 HG21 ILE A 59 2.747 -3.609 -25.075 1.00 41.01 H new ATOM 0 HG22 ILE A 59 2.816 -2.735 -26.624 1.00 41.01 H new ATOM 0 HG23 ILE A 59 4.322 -3.217 -25.806 1.00 41.01 H new ATOM 0 HD11 ILE A 59 3.735 -2.833 -21.704 1.00 54.45 H new ATOM 0 HD12 ILE A 59 2.199 -2.482 -22.531 1.00 54.45 H new ATOM 0 HD13 ILE A 59 3.292 -3.730 -23.176 1.00 54.45 H new ATOM 787 N THR A 60 3.662 -0.328 -28.094 1.00 14.35 N ATOM 788 CA THR A 60 2.928 0.063 -29.291 1.00 22.41 C ATOM 789 C THR A 60 1.981 -1.044 -29.741 1.00 24.10 C ATOM 790 O THR A 60 0.940 -0.779 -30.341 1.00 52.44 O ATOM 791 CB THR A 60 3.885 0.407 -30.448 1.00 75.43 C ATOM 792 OG1 THR A 60 3.185 1.140 -31.460 1.00 62.33 O ATOM 793 CG2 THR A 60 4.481 -0.856 -31.051 1.00 22.42 C ATOM 0 H THR A 60 4.518 -0.852 -28.276 1.00 14.35 H new ATOM 0 HA THR A 60 2.349 0.949 -29.032 1.00 22.41 H new ATOM 0 HB THR A 60 4.695 1.018 -30.051 1.00 75.43 H new ATOM 0 HG1 THR A 60 3.800 1.357 -32.192 1.00 62.33 H new ATOM 0 HG21 THR A 60 5.153 -0.588 -31.866 1.00 22.42 H new ATOM 0 HG22 THR A 60 5.037 -1.398 -30.285 1.00 22.42 H new ATOM 0 HG23 THR A 60 3.681 -1.489 -31.434 1.00 22.42 H new ATOM 801 N LYS A 61 2.349 -2.287 -29.447 1.00 11.43 N ATOM 802 CA LYS A 61 1.532 -3.435 -29.819 1.00 75.21 C ATOM 803 C LYS A 61 0.470 -3.714 -28.760 1.00 55.51 C ATOM 804 O LYS A 61 -0.268 -4.696 -28.849 1.00 23.33 O ATOM 805 CB LYS A 61 2.411 -4.672 -30.012 1.00 25.44 C ATOM 806 CG LYS A 61 3.002 -4.788 -31.406 1.00 53.03 C ATOM 807 CD LYS A 61 2.211 -5.759 -32.268 1.00 5.24 C ATOM 808 CE LYS A 61 1.165 -5.038 -33.103 1.00 40.14 C ATOM 809 NZ LYS A 61 1.786 -4.143 -34.119 1.00 23.03 N ATOM 0 H LYS A 61 3.209 -2.524 -28.952 1.00 11.43 H new ATOM 0 HA LYS A 61 1.031 -3.202 -30.759 1.00 75.21 H new ATOM 0 HB2 LYS A 61 3.222 -4.648 -29.284 1.00 25.44 H new ATOM 0 HB3 LYS A 61 1.820 -5.563 -29.802 1.00 25.44 H new ATOM 0 HG2 LYS A 61 3.015 -3.806 -31.880 1.00 53.03 H new ATOM 0 HG3 LYS A 61 4.037 -5.122 -31.337 1.00 53.03 H new ATOM 0 HD2 LYS A 61 2.891 -6.302 -32.924 1.00 5.24 H new ATOM 0 HD3 LYS A 61 1.724 -6.498 -31.632 1.00 5.24 H new ATOM 0 HE2 LYS A 61 0.532 -5.771 -33.603 1.00 40.14 H new ATOM 0 HE3 LYS A 61 0.519 -4.452 -32.449 1.00 40.14 H new ATOM 0 HZ1 LYS A 61 1.140 -4.034 -34.927 1.00 23.03 H new ATOM 0 HZ2 LYS A 61 1.971 -3.212 -33.695 1.00 23.03 H new ATOM 0 HZ3 LYS A 61 2.682 -4.558 -34.446 1.00 23.03 H new ATOM 823 N LEU A 62 0.395 -2.842 -27.760 1.00 25.30 N ATOM 824 CA LEU A 62 -0.578 -2.993 -26.684 1.00 71.52 C ATOM 825 C LEU A 62 -2.000 -3.012 -27.235 1.00 53.34 C ATOM 826 O LEU A 62 -2.431 -2.070 -27.900 1.00 30.24 O ATOM 827 CB LEU A 62 -0.427 -1.859 -25.670 1.00 2.34 C ATOM 828 CG LEU A 62 -1.491 -1.792 -24.574 1.00 13.50 C ATOM 829 CD1 LEU A 62 -1.246 -2.865 -23.525 1.00 3.54 C ATOM 830 CD2 LEU A 62 -1.511 -0.411 -23.934 1.00 30.25 C ATOM 0 H LEU A 62 0.997 -2.023 -27.672 1.00 25.30 H new ATOM 0 HA LEU A 62 -0.388 -3.944 -26.186 1.00 71.52 H new ATOM 0 HB2 LEU A 62 0.550 -1.951 -25.195 1.00 2.34 H new ATOM 0 HB3 LEU A 62 -0.431 -0.912 -26.210 1.00 2.34 H new ATOM 0 HG LEU A 62 -2.465 -1.974 -25.028 1.00 13.50 H new ATOM 0 HD11 LEU A 62 -2.013 -2.801 -22.753 1.00 3.54 H new ATOM 0 HD12 LEU A 62 -1.284 -3.848 -23.994 1.00 3.54 H new ATOM 0 HD13 LEU A 62 -0.265 -2.716 -23.074 1.00 3.54 H new ATOM 0 HD21 LEU A 62 -2.274 -0.381 -23.156 1.00 30.25 H new ATOM 0 HD22 LEU A 62 -0.536 -0.200 -23.494 1.00 30.25 H new ATOM 0 HD23 LEU A 62 -1.737 0.338 -24.693 1.00 30.25 H new ATOM 842 N ASN A 63 -2.725 -4.089 -26.953 1.00 31.41 N ATOM 843 CA ASN A 63 -4.100 -4.230 -27.419 1.00 41.51 C ATOM 844 C ASN A 63 -5.087 -3.995 -26.280 1.00 32.43 C ATOM 845 O ASN A 63 -5.412 -4.913 -25.526 1.00 21.25 O ATOM 846 CB ASN A 63 -4.317 -5.620 -28.020 1.00 14.22 C ATOM 847 CG ASN A 63 -3.764 -6.723 -27.139 1.00 30.30 C ATOM 848 OD1 ASN A 63 -3.576 -6.538 -25.937 1.00 15.45 O ATOM 849 ND2 ASN A 63 -3.500 -7.880 -27.736 1.00 4.23 N ATOM 0 H ASN A 63 -2.383 -4.878 -26.404 1.00 31.41 H new ATOM 0 HA ASN A 63 -4.276 -3.478 -28.188 1.00 41.51 H new ATOM 0 HB2 ASN A 63 -5.383 -5.783 -28.176 1.00 14.22 H new ATOM 0 HB3 ASN A 63 -3.841 -5.668 -28.999 1.00 14.22 H new ATOM 0 HD21 ASN A 63 -3.126 -8.659 -27.195 1.00 4.23 H new ATOM 0 HD22 ASN A 63 -3.671 -7.989 -28.736 1.00 4.23 H new ATOM 856 N THR A 64 -5.563 -2.760 -26.160 1.00 43.44 N ATOM 857 CA THR A 64 -6.512 -2.404 -25.114 1.00 13.24 C ATOM 858 C THR A 64 -7.686 -3.377 -25.082 1.00 5.51 C ATOM 859 O THR A 64 -8.307 -3.580 -24.040 1.00 12.30 O ATOM 860 CB THR A 64 -7.051 -0.974 -25.306 1.00 41.43 C ATOM 861 OG1 THR A 64 -7.889 -0.918 -26.466 1.00 45.33 O ATOM 862 CG2 THR A 64 -5.908 0.020 -25.451 1.00 52.12 C ATOM 0 H THR A 64 -5.306 -1.989 -26.776 1.00 43.44 H new ATOM 0 HA THR A 64 -5.973 -2.457 -24.168 1.00 13.24 H new ATOM 0 HB THR A 64 -7.634 -0.707 -24.424 1.00 41.43 H new ATOM 0 HG1 THR A 64 -8.229 -0.006 -26.580 1.00 45.33 H new ATOM 0 HG21 THR A 64 -6.313 1.023 -25.585 1.00 52.12 H new ATOM 0 HG22 THR A 64 -5.289 -0.004 -24.554 1.00 52.12 H new ATOM 0 HG23 THR A 64 -5.302 -0.246 -26.317 1.00 52.12 H new ATOM 870 N ASN A 65 -7.982 -3.976 -26.230 1.00 55.03 N ATOM 871 CA ASN A 65 -9.082 -4.928 -26.333 1.00 71.43 C ATOM 872 C ASN A 65 -8.809 -6.168 -25.487 1.00 60.21 C ATOM 873 O ASN A 65 -9.610 -6.535 -24.628 1.00 41.43 O ATOM 874 CB ASN A 65 -9.300 -5.331 -27.793 1.00 72.51 C ATOM 875 CG ASN A 65 -10.291 -4.428 -28.501 1.00 12.54 C ATOM 876 OD1 ASN A 65 -10.054 -3.230 -28.656 1.00 51.43 O ATOM 877 ND2 ASN A 65 -11.409 -4.999 -28.933 1.00 32.22 N ATOM 0 H ASN A 65 -7.476 -3.820 -27.102 1.00 55.03 H new ATOM 0 HA ASN A 65 -9.984 -4.445 -25.958 1.00 71.43 H new ATOM 0 HB2 ASN A 65 -8.347 -5.304 -28.321 1.00 72.51 H new ATOM 0 HB3 ASN A 65 -9.657 -6.360 -27.833 1.00 72.51 H new ATOM 0 HD21 ASN A 65 -12.113 -4.441 -29.415 1.00 32.22 H new ATOM 0 HD22 ASN A 65 -11.564 -5.996 -28.783 1.00 32.22 H new ATOM 884 N ASN A 66 -7.672 -6.809 -25.736 1.00 63.34 N ATOM 885 CA ASN A 66 -7.292 -8.008 -24.998 1.00 33.14 C ATOM 886 C ASN A 66 -6.936 -7.667 -23.554 1.00 23.31 C ATOM 887 O ASN A 66 -6.974 -8.527 -22.675 1.00 32.43 O ATOM 888 CB ASN A 66 -6.108 -8.698 -25.678 1.00 33.32 C ATOM 889 CG ASN A 66 -6.419 -9.105 -27.105 1.00 65.33 C ATOM 890 OD1 ASN A 66 -7.445 -8.718 -27.664 1.00 33.53 O ATOM 891 ND2 ASN A 66 -5.530 -9.890 -27.703 1.00 22.50 N ATOM 0 H ASN A 66 -6.997 -6.518 -26.444 1.00 63.34 H new ATOM 0 HA ASN A 66 -8.145 -8.687 -24.993 1.00 33.14 H new ATOM 0 HB2 ASN A 66 -5.248 -8.028 -25.673 1.00 33.32 H new ATOM 0 HB3 ASN A 66 -5.827 -9.581 -25.104 1.00 33.32 H new ATOM 0 HD21 ASN A 66 -5.684 -10.196 -28.664 1.00 22.50 H new ATOM 0 HD22 ASN A 66 -4.693 -10.187 -27.202 1.00 22.50 H new ATOM 898 N ALA A 67 -6.589 -6.406 -23.318 1.00 35.14 N ATOM 899 CA ALA A 67 -6.229 -5.951 -21.981 1.00 2.42 C ATOM 900 C ALA A 67 -7.453 -5.886 -21.074 1.00 0.01 C ATOM 901 O ALA A 67 -7.373 -6.194 -19.885 1.00 53.50 O ATOM 902 CB ALA A 67 -5.550 -4.591 -22.052 1.00 1.21 C ATOM 0 H ALA A 67 -6.550 -5.682 -24.035 1.00 35.14 H new ATOM 0 HA ALA A 67 -5.532 -6.672 -21.554 1.00 2.42 H new ATOM 0 HB1 ALA A 67 -5.286 -4.263 -21.046 1.00 1.21 H new ATOM 0 HB2 ALA A 67 -4.647 -4.666 -22.658 1.00 1.21 H new ATOM 0 HB3 ALA A 67 -6.230 -3.868 -22.503 1.00 1.21 H new ATOM 908 N ALA A 68 -8.585 -5.483 -21.643 1.00 24.51 N ATOM 909 CA ALA A 68 -9.826 -5.380 -20.886 1.00 3.14 C ATOM 910 C ALA A 68 -10.432 -6.756 -20.635 1.00 75.32 C ATOM 911 O ALA A 68 -10.930 -7.037 -19.545 1.00 41.21 O ATOM 912 CB ALA A 68 -10.818 -4.489 -21.618 1.00 0.22 C ATOM 0 H ALA A 68 -8.668 -5.223 -22.626 1.00 24.51 H new ATOM 0 HA ALA A 68 -9.597 -4.932 -19.919 1.00 3.14 H new ATOM 0 HB1 ALA A 68 -11.740 -4.421 -21.041 1.00 0.22 H new ATOM 0 HB2 ALA A 68 -10.392 -3.493 -21.740 1.00 0.22 H new ATOM 0 HB3 ALA A 68 -11.034 -4.913 -22.599 1.00 0.22 H new ATOM 918 N ALA A 69 -10.389 -7.611 -21.652 1.00 24.11 N ATOM 919 CA ALA A 69 -10.933 -8.959 -21.541 1.00 0.30 C ATOM 920 C ALA A 69 -9.901 -9.922 -20.965 1.00 64.24 C ATOM 921 O ALA A 69 -10.199 -11.091 -20.715 1.00 3.32 O ATOM 922 CB ALA A 69 -11.414 -9.447 -22.899 1.00 61.04 C ATOM 0 H ALA A 69 -9.983 -7.394 -22.562 1.00 24.11 H new ATOM 0 HA ALA A 69 -11.782 -8.927 -20.858 1.00 0.30 H new ATOM 0 HB1 ALA A 69 -11.818 -10.455 -22.801 1.00 61.04 H new ATOM 0 HB2 ALA A 69 -12.191 -8.779 -23.271 1.00 61.04 H new ATOM 0 HB3 ALA A 69 -10.578 -9.457 -23.599 1.00 61.04 H new ATOM 928 N LEU A 70 -8.686 -9.426 -20.759 1.00 1.14 N ATOM 929 CA LEU A 70 -7.608 -10.243 -20.213 1.00 31.53 C ATOM 930 C LEU A 70 -8.020 -10.872 -18.886 1.00 32.34 C ATOM 931 O LEU A 70 -8.038 -12.093 -18.728 1.00 74.31 O ATOM 932 CB LEU A 70 -6.348 -9.398 -20.020 1.00 63.41 C ATOM 933 CG LEU A 70 -5.424 -9.821 -18.877 1.00 33.11 C ATOM 934 CD1 LEU A 70 -4.971 -11.261 -19.062 1.00 4.22 C ATOM 935 CD2 LEU A 70 -4.225 -8.889 -18.788 1.00 24.21 C ATOM 0 H LEU A 70 -8.423 -8.462 -20.962 1.00 1.14 H new ATOM 0 HA LEU A 70 -7.396 -11.042 -20.923 1.00 31.53 H new ATOM 0 HB2 LEU A 70 -5.777 -9.417 -20.948 1.00 63.41 H new ATOM 0 HB3 LEU A 70 -6.650 -8.364 -19.852 1.00 63.41 H new ATOM 0 HG LEU A 70 -5.980 -9.755 -17.942 1.00 33.11 H new ATOM 0 HD11 LEU A 70 -4.314 -11.544 -18.239 1.00 4.22 H new ATOM 0 HD12 LEU A 70 -5.841 -11.917 -19.074 1.00 4.22 H new ATOM 0 HD13 LEU A 70 -4.432 -11.355 -20.005 1.00 4.22 H new ATOM 0 HD21 LEU A 70 -3.578 -9.205 -17.969 1.00 24.21 H new ATOM 0 HD22 LEU A 70 -3.668 -8.923 -19.724 1.00 24.21 H new ATOM 0 HD23 LEU A 70 -4.568 -7.871 -18.607 1.00 24.21 H new ATOM 947 N PRO A 71 -8.361 -10.020 -17.907 1.00 75.35 N ATOM 948 CA PRO A 71 -8.783 -10.470 -16.577 1.00 43.13 C ATOM 949 C PRO A 71 -10.150 -11.145 -16.600 1.00 24.54 C ATOM 950 O PRO A 71 -10.441 -12.007 -15.771 1.00 2.43 O ATOM 951 CB PRO A 71 -8.840 -9.173 -15.766 1.00 54.13 C ATOM 952 CG PRO A 71 -9.073 -8.104 -16.778 1.00 2.15 C ATOM 953 CD PRO A 71 -8.363 -8.552 -18.025 1.00 30.50 C ATOM 0 HA PRO A 71 -8.105 -11.217 -16.165 1.00 43.13 H new ATOM 0 HB2 PRO A 71 -9.642 -9.202 -15.029 1.00 54.13 H new ATOM 0 HB3 PRO A 71 -7.911 -9.006 -15.220 1.00 54.13 H new ATOM 0 HG2 PRO A 71 -10.138 -7.968 -16.963 1.00 2.15 H new ATOM 0 HG3 PRO A 71 -8.685 -7.147 -16.431 1.00 2.15 H new ATOM 0 HD2 PRO A 71 -8.883 -8.222 -18.924 1.00 30.50 H new ATOM 0 HD3 PRO A 71 -7.351 -8.152 -18.077 1.00 30.50 H new ATOM 961 N GLY A 72 -10.985 -10.749 -17.555 1.00 33.01 N ATOM 962 CA GLY A 72 -12.312 -11.327 -17.667 1.00 64.20 C ATOM 963 C GLY A 72 -12.279 -12.765 -18.146 1.00 43.14 C ATOM 964 O GLY A 72 -12.935 -13.634 -17.573 1.00 32.14 O ATOM 0 H GLY A 72 -10.767 -10.038 -18.253 1.00 33.01 H new ATOM 0 HA2 GLY A 72 -12.808 -11.281 -16.697 1.00 64.20 H new ATOM 0 HA3 GLY A 72 -12.908 -10.731 -18.358 1.00 64.20 H new ATOM 968 N LYS A 73 -11.513 -13.017 -19.203 1.00 35.21 N ATOM 969 CA LYS A 73 -11.397 -14.359 -19.761 1.00 30.21 C ATOM 970 C LYS A 73 -10.782 -15.319 -18.747 1.00 12.42 C ATOM 971 O LYS A 73 -10.881 -16.538 -18.891 1.00 45.42 O ATOM 972 CB LYS A 73 -10.548 -14.333 -21.034 1.00 2.33 C ATOM 973 CG LYS A 73 -11.220 -13.628 -22.199 1.00 13.31 C ATOM 974 CD LYS A 73 -12.160 -14.559 -22.947 1.00 44.31 C ATOM 975 CE LYS A 73 -13.080 -13.789 -23.882 1.00 44.31 C ATOM 976 NZ LYS A 73 -13.802 -14.694 -24.819 1.00 3.51 N ATOM 0 H LYS A 73 -10.963 -12.309 -19.690 1.00 35.21 H new ATOM 0 HA LYS A 73 -12.399 -14.711 -20.007 1.00 30.21 H new ATOM 0 HB2 LYS A 73 -9.601 -13.839 -20.819 1.00 2.33 H new ATOM 0 HB3 LYS A 73 -10.314 -15.357 -21.326 1.00 2.33 H new ATOM 0 HG2 LYS A 73 -11.777 -12.766 -21.832 1.00 13.31 H new ATOM 0 HG3 LYS A 73 -10.461 -13.249 -22.883 1.00 13.31 H new ATOM 0 HD2 LYS A 73 -11.579 -15.281 -23.520 1.00 44.31 H new ATOM 0 HD3 LYS A 73 -12.757 -15.126 -22.233 1.00 44.31 H new ATOM 0 HE2 LYS A 73 -13.803 -13.222 -23.295 1.00 44.31 H new ATOM 0 HE3 LYS A 73 -12.496 -13.067 -24.452 1.00 44.31 H new ATOM 0 HZ1 LYS A 73 -14.419 -14.131 -25.439 1.00 3.51 H new ATOM 0 HZ2 LYS A 73 -13.113 -15.216 -25.397 1.00 3.51 H new ATOM 0 HZ3 LYS A 73 -14.379 -15.367 -24.276 1.00 3.51 H new ATOM 990 N CYS A 74 -10.149 -14.761 -17.720 1.00 71.21 N ATOM 991 CA CYS A 74 -9.519 -15.567 -16.681 1.00 11.40 C ATOM 992 C CYS A 74 -10.538 -15.988 -15.627 1.00 35.24 C ATOM 993 O CYS A 74 -10.195 -16.640 -14.642 1.00 30.25 O ATOM 994 CB CYS A 74 -8.380 -14.786 -16.022 1.00 33.02 C ATOM 995 SG CYS A 74 -6.948 -14.499 -17.110 1.00 61.32 S ATOM 0 H CYS A 74 -10.059 -13.754 -17.585 1.00 71.21 H new ATOM 0 HA CYS A 74 -9.113 -16.465 -17.148 1.00 11.40 H new ATOM 0 HB2 CYS A 74 -8.763 -13.824 -15.682 1.00 33.02 H new ATOM 0 HB3 CYS A 74 -8.047 -15.328 -15.137 1.00 33.02 H new ATOM 1000 N GLY A 75 -11.795 -15.611 -15.842 1.00 12.42 N ATOM 1001 CA GLY A 75 -12.845 -15.958 -14.902 1.00 74.15 C ATOM 1002 C GLY A 75 -13.078 -14.876 -13.867 1.00 32.13 C ATOM 1003 O GLY A 75 -14.185 -14.732 -13.347 1.00 41.41 O ATOM 0 H GLY A 75 -12.105 -15.072 -16.650 1.00 12.42 H new ATOM 0 HA2 GLY A 75 -13.771 -16.140 -15.447 1.00 74.15 H new ATOM 0 HA3 GLY A 75 -12.584 -16.888 -14.398 1.00 74.15 H new ATOM 1007 N VAL A 76 -12.032 -14.114 -13.564 1.00 10.11 N ATOM 1008 CA VAL A 76 -12.127 -13.040 -12.583 1.00 13.33 C ATOM 1009 C VAL A 76 -12.665 -11.762 -13.217 1.00 41.02 C ATOM 1010 O VAL A 76 -12.565 -11.568 -14.428 1.00 24.51 O ATOM 1011 CB VAL A 76 -10.759 -12.744 -11.939 1.00 74.24 C ATOM 1012 CG1 VAL A 76 -9.786 -12.207 -12.977 1.00 63.54 C ATOM 1013 CG2 VAL A 76 -10.914 -11.765 -10.785 1.00 72.42 C ATOM 0 H VAL A 76 -11.109 -14.221 -13.984 1.00 10.11 H new ATOM 0 HA VAL A 76 -12.818 -13.378 -11.811 1.00 13.33 H new ATOM 0 HB VAL A 76 -10.354 -13.675 -11.543 1.00 74.24 H new ATOM 0 HG11 VAL A 76 -8.825 -12.004 -12.504 1.00 63.54 H new ATOM 0 HG12 VAL A 76 -9.652 -12.946 -13.767 1.00 63.54 H new ATOM 0 HG13 VAL A 76 -10.182 -11.286 -13.405 1.00 63.54 H new ATOM 0 HG21 VAL A 76 -9.938 -11.567 -10.342 1.00 72.42 H new ATOM 0 HG22 VAL A 76 -11.341 -10.832 -11.154 1.00 72.42 H new ATOM 0 HG23 VAL A 76 -11.575 -12.193 -10.031 1.00 72.42 H new ATOM 1132 N SER A 83 -9.782 1.231 -18.498 1.00 2.31 N ATOM 1133 CA SER A 83 -9.518 2.406 -19.321 1.00 22.03 C ATOM 1134 C SER A 83 -8.080 2.883 -19.141 1.00 1.22 C ATOM 1135 O SER A 83 -7.693 3.336 -18.063 1.00 12.41 O ATOM 1136 CB SER A 83 -10.489 3.533 -18.965 1.00 35.23 C ATOM 1137 OG SER A 83 -11.608 3.536 -19.835 1.00 31.52 O ATOM 0 HA SER A 83 -9.663 2.128 -20.365 1.00 22.03 H new ATOM 0 HB2 SER A 83 -10.826 3.415 -17.935 1.00 35.23 H new ATOM 0 HB3 SER A 83 -9.975 4.492 -19.025 1.00 35.23 H new ATOM 0 HG SER A 83 -12.214 4.264 -19.586 1.00 31.52 H new ATOM 1143 N THR A 84 -7.291 2.778 -20.205 1.00 45.04 N ATOM 1144 CA THR A 84 -5.895 3.197 -20.167 1.00 32.15 C ATOM 1145 C THR A 84 -5.779 4.706 -19.982 1.00 20.41 C ATOM 1146 O THR A 84 -4.703 5.225 -19.684 1.00 23.44 O ATOM 1147 CB THR A 84 -5.150 2.790 -21.452 1.00 34.41 C ATOM 1148 OG1 THR A 84 -5.808 3.345 -22.596 1.00 73.31 O ATOM 1149 CG2 THR A 84 -5.085 1.275 -21.583 1.00 13.42 C ATOM 0 H THR A 84 -7.595 2.406 -21.105 1.00 45.04 H new ATOM 0 HA THR A 84 -5.437 2.693 -19.316 1.00 32.15 H new ATOM 0 HB THR A 84 -4.133 3.178 -21.395 1.00 34.41 H new ATOM 0 HG1 THR A 84 -5.327 3.083 -23.409 1.00 73.31 H new ATOM 0 HG21 THR A 84 -4.554 1.011 -22.498 1.00 13.42 H new ATOM 0 HG22 THR A 84 -4.558 0.858 -20.725 1.00 13.42 H new ATOM 0 HG23 THR A 84 -6.096 0.869 -21.620 1.00 13.42 H new ATOM 1157 N THR A 85 -6.894 5.407 -20.160 1.00 74.23 N ATOM 1158 CA THR A 85 -6.917 6.857 -20.014 1.00 34.42 C ATOM 1159 C THR A 85 -7.365 7.261 -18.614 1.00 20.33 C ATOM 1160 O THR A 85 -7.185 8.406 -18.199 1.00 2.21 O ATOM 1161 CB THR A 85 -7.853 7.511 -21.048 1.00 45.02 C ATOM 1162 OG1 THR A 85 -9.213 7.164 -20.767 1.00 51.12 O ATOM 1163 CG2 THR A 85 -7.492 7.070 -22.459 1.00 33.12 C ATOM 0 H THR A 85 -7.794 4.994 -20.406 1.00 74.23 H new ATOM 0 HA THR A 85 -5.899 7.208 -20.183 1.00 34.42 H new ATOM 0 HB THR A 85 -7.734 8.592 -20.981 1.00 45.02 H new ATOM 0 HG1 THR A 85 -9.801 7.585 -21.428 1.00 51.12 H new ATOM 0 HG21 THR A 85 -8.166 7.544 -23.172 1.00 33.12 H new ATOM 0 HG22 THR A 85 -6.466 7.362 -22.680 1.00 33.12 H new ATOM 0 HG23 THR A 85 -7.585 5.987 -22.537 1.00 33.12 H new ATOM 1171 N THR A 86 -7.949 6.313 -17.887 1.00 73.35 N ATOM 1172 CA THR A 86 -8.423 6.570 -16.534 1.00 12.25 C ATOM 1173 C THR A 86 -7.262 6.641 -15.549 1.00 22.23 C ATOM 1174 O THR A 86 -6.282 5.908 -15.677 1.00 1.13 O ATOM 1175 CB THR A 86 -9.411 5.484 -16.068 1.00 20.11 C ATOM 1176 OG1 THR A 86 -10.589 5.512 -16.882 1.00 20.35 O ATOM 1177 CG2 THR A 86 -9.791 5.688 -14.609 1.00 71.51 C ATOM 0 H THR A 86 -8.105 5.359 -18.214 1.00 73.35 H new ATOM 0 HA THR A 86 -8.936 7.531 -16.557 1.00 12.25 H new ATOM 0 HB THR A 86 -8.924 4.514 -16.168 1.00 20.11 H new ATOM 0 HG1 THR A 86 -11.279 4.945 -16.478 1.00 20.35 H new ATOM 0 HG21 THR A 86 -10.489 4.909 -14.303 1.00 71.51 H new ATOM 0 HG22 THR A 86 -8.896 5.637 -13.989 1.00 71.51 H new ATOM 0 HG23 THR A 86 -10.261 6.664 -14.488 1.00 71.51 H new ATOM 1185 N ASN A 87 -7.379 7.527 -14.565 1.00 41.22 N ATOM 1186 CA ASN A 87 -6.338 7.693 -13.558 1.00 24.03 C ATOM 1187 C ASN A 87 -6.566 6.752 -12.379 1.00 73.51 C ATOM 1188 O ASN A 87 -7.449 6.979 -11.551 1.00 22.41 O ATOM 1189 CB ASN A 87 -6.299 9.142 -13.067 1.00 73.25 C ATOM 1190 CG ASN A 87 -4.908 9.572 -12.644 1.00 52.42 C ATOM 1191 OD1 ASN A 87 -3.910 9.146 -13.226 1.00 35.33 O ATOM 1192 ND2 ASN A 87 -4.836 10.422 -11.626 1.00 71.01 N ATOM 0 H ASN A 87 -8.185 8.141 -14.444 1.00 41.22 H new ATOM 0 HA ASN A 87 -5.381 7.446 -14.018 1.00 24.03 H new ATOM 0 HB2 ASN A 87 -6.655 9.801 -13.859 1.00 73.25 H new ATOM 0 HB3 ASN A 87 -6.983 9.256 -12.226 1.00 73.25 H new ATOM 0 HD21 ASN A 87 -3.927 10.748 -11.297 1.00 71.01 H new ATOM 0 HD22 ASN A 87 -5.690 10.749 -11.173 1.00 71.01 H new ATOM 1199 N CYS A 88 -5.765 5.694 -12.310 1.00 22.13 N ATOM 1200 CA CYS A 88 -5.878 4.717 -11.233 1.00 52.23 C ATOM 1201 C CYS A 88 -5.309 5.274 -9.931 1.00 54.03 C ATOM 1202 O CYS A 88 -5.336 4.610 -8.896 1.00 72.23 O ATOM 1203 CB CYS A 88 -5.150 3.426 -11.610 1.00 23.53 C ATOM 1204 SG CYS A 88 -5.939 2.493 -12.961 1.00 52.30 S ATOM 0 H CYS A 88 -5.030 5.491 -12.988 1.00 22.13 H new ATOM 0 HA CYS A 88 -6.935 4.499 -11.083 1.00 52.23 H new ATOM 0 HB2 CYS A 88 -4.128 3.670 -11.900 1.00 23.53 H new ATOM 0 HB3 CYS A 88 -5.088 2.786 -10.730 1.00 23.53 H new ATOM 1209 N ASN A 89 -4.795 6.498 -9.992 1.00 54.24 N ATOM 1210 CA ASN A 89 -4.220 7.145 -8.819 1.00 21.13 C ATOM 1211 C ASN A 89 -5.310 7.760 -7.947 1.00 53.52 C ATOM 1212 O ASN A 89 -5.124 7.958 -6.746 1.00 44.51 O ATOM 1213 CB ASN A 89 -3.221 8.223 -9.243 1.00 52.53 C ATOM 1214 CG ASN A 89 -2.315 7.762 -10.369 1.00 33.15 C ATOM 1215 OD1 ASN A 89 -2.768 7.529 -11.489 1.00 54.13 O ATOM 1216 ND2 ASN A 89 -1.028 7.627 -10.074 1.00 5.24 N ATOM 0 H ASN A 89 -4.765 7.062 -10.842 1.00 54.24 H new ATOM 0 HA ASN A 89 -3.699 6.386 -8.236 1.00 21.13 H new ATOM 0 HB2 ASN A 89 -3.764 9.114 -9.559 1.00 52.53 H new ATOM 0 HB3 ASN A 89 -2.613 8.508 -8.385 1.00 52.53 H new ATOM 0 HD21 ASN A 89 -0.370 7.319 -10.790 1.00 5.24 H new ATOM 0 HD22 ASN A 89 -0.697 7.832 -9.131 1.00 5.24 H new ATOM 1223 N THR A 90 -6.451 8.061 -8.560 1.00 51.12 N ATOM 1224 CA THR A 90 -7.572 8.654 -7.842 1.00 3.44 C ATOM 1225 C THR A 90 -8.679 7.633 -7.609 1.00 63.51 C ATOM 1226 O THR A 90 -9.863 7.947 -7.730 1.00 22.24 O ATOM 1227 CB THR A 90 -8.153 9.860 -8.604 1.00 72.32 C ATOM 1228 OG1 THR A 90 -8.660 9.437 -9.875 1.00 15.11 O ATOM 1229 CG2 THR A 90 -7.095 10.934 -8.807 1.00 20.33 C ATOM 0 H THR A 90 -6.623 7.903 -9.553 1.00 51.12 H new ATOM 0 HA THR A 90 -7.187 8.993 -6.880 1.00 3.44 H new ATOM 0 HB THR A 90 -8.964 10.280 -8.010 1.00 72.32 H new ATOM 0 HG1 THR A 90 -9.029 10.209 -10.353 1.00 15.11 H new ATOM 0 HG21 THR A 90 -7.529 11.775 -9.347 1.00 20.33 H new ATOM 0 HG22 THR A 90 -6.731 11.274 -7.837 1.00 20.33 H new ATOM 0 HG23 THR A 90 -6.265 10.523 -9.382 1.00 20.33 H new ATOM 1237 N VAL A 91 -8.286 6.407 -7.274 1.00 51.44 N ATOM 1238 CA VAL A 91 -9.246 5.339 -7.023 1.00 1.11 C ATOM 1239 C VAL A 91 -9.337 5.021 -5.535 1.00 11.34 C ATOM 1240 O VAL A 91 -8.583 5.562 -4.725 1.00 64.44 O ATOM 1241 CB VAL A 91 -8.871 4.056 -7.788 1.00 51.25 C ATOM 1242 CG1 VAL A 91 -8.644 4.360 -9.261 1.00 41.34 C ATOM 1243 CG2 VAL A 91 -7.639 3.409 -7.173 1.00 14.51 C ATOM 0 H VAL A 91 -7.310 6.130 -7.170 1.00 51.44 H new ATOM 0 HA VAL A 91 -10.214 5.694 -7.376 1.00 1.11 H new ATOM 0 HB VAL A 91 -9.700 3.352 -7.710 1.00 51.25 H new ATOM 0 HG11 VAL A 91 -8.380 3.442 -9.786 1.00 41.34 H new ATOM 0 HG12 VAL A 91 -9.555 4.775 -9.692 1.00 41.34 H new ATOM 0 HG13 VAL A 91 -7.834 5.082 -9.363 1.00 41.34 H new ATOM 0 HG21 VAL A 91 -7.389 2.504 -7.726 1.00 14.51 H new ATOM 0 HG22 VAL A 91 -6.802 4.105 -7.218 1.00 14.51 H new ATOM 0 HG23 VAL A 91 -7.843 3.154 -6.133 1.00 14.51 H new