USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 695 hydrogens (44 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 87 ASN : amide:sc= -2.48! C(o=-2.7!,f=-4.9!) USER MOD Set 1.2: A 89 ASN :FLIP amide:sc= -0.187 F(o=-4.9,f=-2.7) USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 101 PGM O2 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0794 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 -1:sc= 1.16 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0667 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= -0.024 X(o=-0.024,f=-0.28) USER MOD Single : A 41 THR OG1 : rot -160:sc= -3.32! USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 46 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.9!) USER MOD Single : A 50 ASN : amide:sc= -2.74 K(o=-2.7,f=-3.7!) USER MOD Single : A 53 LYS NZ :NH3+ -148:sc= -0.204 (180deg=-0.659) USER MOD Single : A 54 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -3.11 K(o=-3.1,f=-5!) 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 66 ASN : amide:sc= -1.26 K(o=-1.3,f=-5.4!) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= -0.0717 (180deg=-0.329) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 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 -25:sc= 0.617 USER MOD Single : A 86 THR OG1 : rot -169:sc= -1.09 USER MOD Single : A 90 THR OG1 : rot -61:sc= 1.17 USER MOD Single : A 92 LYS NZ :NH3+ 156:sc= -0.111 (180deg=-0.529) USER MOD Single : A 101 PGM O1 : rot 180:sc= 0 USER MOD Single : A 101 PGM O8 : rot -149:sc= 0.273 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.109 -0.973 0.246 1.00 4.24 N ATOM 2 CA ALA A 1 3.313 -0.620 -1.153 1.00 70.32 C ATOM 3 C ALA A 1 3.965 -1.767 -1.919 1.00 0.41 C ATOM 4 O ALA A 1 5.018 -2.269 -1.525 1.00 32.05 O ATOM 5 CB ALA A 1 4.160 0.639 -1.262 1.00 52.15 C ATOM 0 H1 ALA A 1 2.664 -0.176 0.744 1.00 4.24 H new ATOM 0 H2 ALA A 1 2.491 -1.807 0.307 1.00 4.24 H new ATOM 0 H3 ALA A 1 4.026 -1.188 0.687 1.00 4.24 H new ATOM 0 HA ALA A 1 2.337 -0.428 -1.599 1.00 70.32 H new ATOM 0 HB1 ALA A 1 4.304 0.891 -2.313 1.00 52.15 H new ATOM 0 HB2 ALA A 1 3.654 1.462 -0.758 1.00 52.15 H new ATOM 0 HB3 ALA A 1 5.129 0.467 -0.794 1.00 52.15 H new ATOM 11 N ILE A 2 3.333 -2.176 -3.014 1.00 0.43 N ATOM 12 CA ILE A 2 3.853 -3.263 -3.834 1.00 53.41 C ATOM 13 C ILE A 2 4.950 -2.768 -4.770 1.00 64.42 C ATOM 14 O ILE A 2 5.245 -1.574 -4.822 1.00 23.41 O ATOM 15 CB ILE A 2 2.738 -3.920 -4.670 1.00 4.24 C ATOM 16 CG1 ILE A 2 2.264 -2.966 -5.768 1.00 2.43 C ATOM 17 CG2 ILE A 2 1.576 -4.327 -3.776 1.00 4.20 C ATOM 18 CD1 ILE A 2 1.128 -3.519 -6.600 1.00 4.32 C ATOM 0 H ILE A 2 2.461 -1.771 -3.354 1.00 0.43 H new ATOM 0 HA ILE A 2 4.268 -4.004 -3.151 1.00 53.41 H new ATOM 0 HB ILE A 2 3.139 -4.817 -5.143 1.00 4.24 H new ATOM 0 HG12 ILE A 2 1.946 -2.029 -5.311 1.00 2.43 H new ATOM 0 HG13 ILE A 2 3.103 -2.733 -6.423 1.00 2.43 H new ATOM 0 HG21 ILE A 2 0.796 -4.790 -4.381 1.00 4.20 H new ATOM 0 HG22 ILE A 2 1.925 -5.039 -3.027 1.00 4.20 H new ATOM 0 HG23 ILE A 2 1.174 -3.445 -3.278 1.00 4.20 H new ATOM 0 HD11 ILE A 2 0.844 -2.789 -7.358 1.00 4.32 H new ATOM 0 HD12 ILE A 2 1.448 -4.441 -7.085 1.00 4.32 H new ATOM 0 HD13 ILE A 2 0.273 -3.726 -5.957 1.00 4.32 H new ATOM 30 N SER A 3 5.551 -3.695 -5.510 1.00 51.13 N ATOM 31 CA SER A 3 6.618 -3.354 -6.444 1.00 72.11 C ATOM 32 C SER A 3 6.239 -3.748 -7.869 1.00 24.24 C ATOM 33 O SER A 3 5.787 -4.866 -8.117 1.00 24.43 O ATOM 34 CB SER A 3 7.920 -4.049 -6.039 1.00 54.55 C ATOM 35 OG SER A 3 8.196 -3.852 -4.664 1.00 4.43 O ATOM 0 H SER A 3 5.317 -4.687 -5.481 1.00 51.13 H new ATOM 0 HA SER A 3 6.765 -2.275 -6.411 1.00 72.11 H new ATOM 0 HB2 SER A 3 7.847 -5.116 -6.249 1.00 54.55 H new ATOM 0 HB3 SER A 3 8.744 -3.662 -6.638 1.00 54.55 H new ATOM 0 HG SER A 3 9.032 -4.307 -4.430 1.00 4.43 H new ATOM 41 N CYS A 4 6.427 -2.821 -8.802 1.00 23.12 N ATOM 42 CA CYS A 4 6.106 -3.069 -10.202 1.00 41.21 C ATOM 43 C CYS A 4 6.749 -4.365 -10.687 1.00 22.14 C ATOM 44 O CYS A 4 6.229 -5.033 -11.579 1.00 35.11 O ATOM 45 CB CYS A 4 6.575 -1.899 -11.069 1.00 50.23 C ATOM 46 SG CYS A 4 5.945 -0.276 -10.533 1.00 33.15 S ATOM 0 H CYS A 4 6.800 -1.891 -8.614 1.00 23.12 H new ATOM 0 HA CYS A 4 5.024 -3.167 -10.289 1.00 41.21 H new ATOM 0 HB2 CYS A 4 7.665 -1.873 -11.066 1.00 50.23 H new ATOM 0 HB3 CYS A 4 6.263 -2.076 -12.098 1.00 50.23 H new ATOM 51 N GLY A 5 7.885 -4.715 -10.091 1.00 3.43 N ATOM 52 CA GLY A 5 8.581 -5.929 -10.474 1.00 61.01 C ATOM 53 C GLY A 5 7.675 -7.144 -10.464 1.00 71.11 C ATOM 54 O GLY A 5 7.710 -7.961 -11.384 1.00 4.21 O ATOM 0 H GLY A 5 8.336 -4.179 -9.349 1.00 3.43 H new ATOM 0 HA2 GLY A 5 9.004 -5.803 -11.471 1.00 61.01 H new ATOM 0 HA3 GLY A 5 9.415 -6.096 -9.793 1.00 61.01 H new ATOM 58 N ALA A 6 6.861 -7.265 -9.420 1.00 63.02 N ATOM 59 CA ALA A 6 5.942 -8.389 -9.294 1.00 52.05 C ATOM 60 C ALA A 6 4.638 -8.117 -10.037 1.00 31.21 C ATOM 61 O ALA A 6 3.878 -9.039 -10.335 1.00 15.54 O ATOM 62 CB ALA A 6 5.665 -8.683 -7.827 1.00 52.35 C ATOM 0 H ALA A 6 6.820 -6.598 -8.649 1.00 63.02 H new ATOM 0 HA ALA A 6 6.412 -9.263 -9.745 1.00 52.05 H new ATOM 0 HB1 ALA A 6 4.977 -9.525 -7.748 1.00 52.35 H new ATOM 0 HB2 ALA A 6 6.599 -8.929 -7.323 1.00 52.35 H new ATOM 0 HB3 ALA A 6 5.220 -7.806 -7.358 1.00 52.35 H new ATOM 68 N VAL A 7 4.385 -6.846 -10.333 1.00 35.32 N ATOM 69 CA VAL A 7 3.172 -6.453 -11.041 1.00 62.20 C ATOM 70 C VAL A 7 3.245 -6.842 -12.513 1.00 45.44 C ATOM 71 O VAL A 7 2.298 -7.399 -13.069 1.00 20.15 O ATOM 72 CB VAL A 7 2.926 -4.937 -10.933 1.00 52.31 C ATOM 73 CG1 VAL A 7 1.635 -4.553 -11.641 1.00 63.42 C ATOM 74 CG2 VAL A 7 2.892 -4.505 -9.475 1.00 33.43 C ATOM 0 H VAL A 7 5.004 -6.071 -10.094 1.00 35.32 H new ATOM 0 HA VAL A 7 2.344 -6.982 -10.569 1.00 62.20 H new ATOM 0 HB VAL A 7 3.750 -4.418 -11.423 1.00 52.31 H new ATOM 0 HG11 VAL A 7 1.478 -3.478 -11.554 1.00 63.42 H new ATOM 0 HG12 VAL A 7 1.703 -4.826 -12.694 1.00 63.42 H new ATOM 0 HG13 VAL A 7 0.798 -5.080 -11.183 1.00 63.42 H new ATOM 0 HG21 VAL A 7 2.717 -3.431 -9.418 1.00 33.43 H new ATOM 0 HG22 VAL A 7 2.089 -5.031 -8.958 1.00 33.43 H new ATOM 0 HG23 VAL A 7 3.845 -4.743 -9.003 1.00 33.43 H new ATOM 84 N THR A 8 4.378 -6.544 -13.143 1.00 1.22 N ATOM 85 CA THR A 8 4.576 -6.861 -14.551 1.00 51.25 C ATOM 86 C THR A 8 4.853 -8.347 -14.747 1.00 34.11 C ATOM 87 O THR A 8 4.289 -8.981 -15.639 1.00 31.12 O ATOM 88 CB THR A 8 5.740 -6.050 -15.152 1.00 21.24 C ATOM 89 OG1 THR A 8 6.985 -6.511 -14.616 1.00 25.12 O ATOM 90 CG2 THR A 8 5.574 -4.567 -14.859 1.00 2.33 C ATOM 0 H THR A 8 5.172 -6.083 -12.699 1.00 1.22 H new ATOM 0 HA THR A 8 3.653 -6.595 -15.067 1.00 51.25 H new ATOM 0 HB THR A 8 5.734 -6.193 -16.233 1.00 21.24 H new ATOM 0 HG1 THR A 8 7.720 -5.992 -15.004 1.00 25.12 H new ATOM 0 HG21 THR A 8 6.408 -4.015 -15.293 1.00 2.33 H new ATOM 0 HG22 THR A 8 4.639 -4.213 -15.293 1.00 2.33 H new ATOM 0 HG23 THR A 8 5.556 -4.409 -13.781 1.00 2.33 H new ATOM 98 N SER A 9 5.723 -8.898 -13.907 1.00 44.31 N ATOM 99 CA SER A 9 6.077 -10.310 -13.990 1.00 2.10 C ATOM 100 C SER A 9 4.828 -11.185 -13.962 1.00 60.45 C ATOM 101 O SER A 9 4.712 -12.145 -14.725 1.00 40.22 O ATOM 102 CB SER A 9 7.008 -10.693 -12.837 1.00 54.24 C ATOM 103 OG SER A 9 7.827 -11.795 -13.188 1.00 13.22 O ATOM 0 H SER A 9 6.196 -8.388 -13.161 1.00 44.31 H new ATOM 0 HA SER A 9 6.594 -10.475 -14.935 1.00 2.10 H new ATOM 0 HB2 SER A 9 7.634 -9.841 -12.572 1.00 54.24 H new ATOM 0 HB3 SER A 9 6.417 -10.941 -11.955 1.00 54.24 H new ATOM 0 HG SER A 9 8.414 -12.019 -12.436 1.00 13.22 H new ATOM 109 N ASP A 10 3.896 -10.848 -13.078 1.00 41.51 N ATOM 110 CA ASP A 10 2.654 -11.601 -12.951 1.00 21.15 C ATOM 111 C ASP A 10 1.913 -11.656 -14.282 1.00 75.05 C ATOM 112 O ASP A 10 1.093 -12.547 -14.513 1.00 4.30 O ATOM 113 CB ASP A 10 1.760 -10.974 -11.880 1.00 53.21 C ATOM 114 CG ASP A 10 2.232 -11.288 -10.474 1.00 72.02 C ATOM 115 OD1 ASP A 10 3.425 -11.619 -10.309 1.00 32.24 O ATOM 116 OD2 ASP A 10 1.409 -11.202 -9.539 1.00 53.12 O ATOM 0 H ASP A 10 3.977 -10.058 -12.438 1.00 41.51 H new ATOM 0 HA ASP A 10 2.904 -12.619 -12.654 1.00 21.15 H new ATOM 0 HB2 ASP A 10 1.735 -9.893 -12.019 1.00 53.21 H new ATOM 0 HB3 ASP A 10 0.739 -11.335 -12.006 1.00 53.21 H new ATOM 121 N LEU A 11 2.204 -10.698 -15.156 1.00 32.32 N ATOM 122 CA LEU A 11 1.564 -10.637 -16.465 1.00 51.53 C ATOM 123 C LEU A 11 2.518 -11.102 -17.560 1.00 45.23 C ATOM 124 O LEU A 11 2.313 -10.816 -18.740 1.00 14.12 O ATOM 125 CB LEU A 11 1.091 -9.211 -16.757 1.00 31.41 C ATOM 126 CG LEU A 11 -0.158 -8.752 -16.004 1.00 52.52 C ATOM 127 CD1 LEU A 11 -0.617 -7.393 -16.511 1.00 4.23 C ATOM 128 CD2 LEU A 11 -1.273 -9.778 -16.143 1.00 63.30 C ATOM 0 H LEU A 11 2.879 -9.953 -14.981 1.00 32.32 H new ATOM 0 HA LEU A 11 0.702 -11.304 -16.452 1.00 51.53 H new ATOM 0 HB2 LEU A 11 1.905 -8.524 -16.523 1.00 31.41 H new ATOM 0 HB3 LEU A 11 0.899 -9.125 -17.826 1.00 31.41 H new ATOM 0 HG LEU A 11 0.093 -8.658 -14.947 1.00 52.52 H new ATOM 0 HD11 LEU A 11 -1.507 -7.082 -15.964 1.00 4.23 H new ATOM 0 HD12 LEU A 11 0.176 -6.661 -16.359 1.00 4.23 H new ATOM 0 HD13 LEU A 11 -0.850 -7.461 -17.574 1.00 4.23 H new ATOM 0 HD21 LEU A 11 -2.154 -9.434 -15.601 1.00 63.30 H new ATOM 0 HD22 LEU A 11 -1.522 -9.904 -17.197 1.00 63.30 H new ATOM 0 HD23 LEU A 11 -0.943 -10.732 -15.732 1.00 63.30 H new ATOM 140 N SER A 12 3.562 -11.822 -17.162 1.00 21.02 N ATOM 141 CA SER A 12 4.550 -12.326 -18.109 1.00 35.00 C ATOM 142 C SER A 12 3.881 -13.157 -19.200 1.00 40.32 C ATOM 143 O SER A 12 3.961 -12.846 -20.389 1.00 32.20 O ATOM 144 CB SER A 12 5.600 -13.168 -17.383 1.00 24.10 C ATOM 145 OG SER A 12 6.009 -14.269 -18.176 1.00 50.14 O ATOM 0 H SER A 12 3.746 -12.070 -16.190 1.00 21.02 H new ATOM 0 HA SER A 12 5.040 -11.471 -18.576 1.00 35.00 H new ATOM 0 HB2 SER A 12 6.464 -12.549 -17.142 1.00 24.10 H new ATOM 0 HB3 SER A 12 5.192 -13.528 -16.438 1.00 24.10 H new ATOM 0 HG SER A 12 6.682 -14.790 -17.690 1.00 50.14 H new ATOM 151 N PRO A 13 3.205 -14.239 -18.788 1.00 62.50 N ATOM 152 CA PRO A 13 2.509 -15.138 -19.714 1.00 12.23 C ATOM 153 C PRO A 13 1.279 -14.487 -20.338 1.00 62.11 C ATOM 154 O PRO A 13 0.717 -14.999 -21.307 1.00 23.43 O ATOM 155 CB PRO A 13 2.098 -16.314 -18.825 1.00 30.23 C ATOM 156 CG PRO A 13 2.015 -15.741 -17.452 1.00 41.12 C ATOM 157 CD PRO A 13 3.068 -14.670 -17.386 1.00 44.15 C ATOM 0 HA PRO A 13 3.139 -15.423 -20.557 1.00 12.23 H new ATOM 0 HB2 PRO A 13 1.141 -16.731 -19.138 1.00 30.23 H new ATOM 0 HB3 PRO A 13 2.829 -17.121 -18.873 1.00 30.23 H new ATOM 0 HG2 PRO A 13 1.025 -15.327 -17.261 1.00 41.12 H new ATOM 0 HG3 PRO A 13 2.191 -16.508 -16.698 1.00 41.12 H new ATOM 0 HD2 PRO A 13 2.763 -13.846 -16.740 1.00 44.15 H new ATOM 0 HD3 PRO A 13 4.008 -15.055 -16.990 1.00 44.15 H new ATOM 165 N CYS A 14 0.866 -13.355 -19.778 1.00 72.11 N ATOM 166 CA CYS A 14 -0.297 -12.634 -20.280 1.00 15.45 C ATOM 167 C CYS A 14 0.108 -11.624 -21.350 1.00 22.42 C ATOM 168 O CYS A 14 -0.689 -11.271 -22.220 1.00 61.41 O ATOM 169 CB CYS A 14 -1.013 -11.917 -19.132 1.00 61.24 C ATOM 170 SG CYS A 14 -1.633 -13.032 -17.831 1.00 43.54 S ATOM 0 H CYS A 14 1.320 -12.917 -18.976 1.00 72.11 H new ATOM 0 HA CYS A 14 -0.977 -13.359 -20.728 1.00 15.45 H new ATOM 0 HB2 CYS A 14 -0.328 -11.198 -18.683 1.00 61.24 H new ATOM 0 HB3 CYS A 14 -1.850 -11.349 -19.538 1.00 61.24 H new ATOM 175 N LEU A 15 1.352 -11.164 -21.279 1.00 42.24 N ATOM 176 CA LEU A 15 1.865 -10.195 -22.242 1.00 61.21 C ATOM 177 C LEU A 15 1.520 -10.610 -23.669 1.00 33.13 C ATOM 178 O LEU A 15 1.088 -9.789 -24.479 1.00 33.21 O ATOM 179 CB LEU A 15 3.381 -10.052 -22.093 1.00 72.23 C ATOM 180 CG LEU A 15 3.987 -8.750 -22.618 1.00 71.11 C ATOM 181 CD1 LEU A 15 3.315 -7.549 -21.970 1.00 23.40 C ATOM 182 CD2 LEU A 15 5.488 -8.722 -22.370 1.00 31.43 C ATOM 0 H LEU A 15 2.024 -11.446 -20.565 1.00 42.24 H new ATOM 0 HA LEU A 15 1.394 -9.233 -22.039 1.00 61.21 H new ATOM 0 HB2 LEU A 15 3.633 -10.146 -21.037 1.00 72.23 H new ATOM 0 HB3 LEU A 15 3.857 -10.885 -22.610 1.00 72.23 H new ATOM 0 HG LEU A 15 3.816 -8.700 -23.693 1.00 71.11 H new ATOM 0 HD11 LEU A 15 3.759 -6.631 -22.356 1.00 23.40 H new ATOM 0 HD12 LEU A 15 2.249 -7.561 -22.199 1.00 23.40 H new ATOM 0 HD13 LEU A 15 3.454 -7.593 -20.890 1.00 23.40 H new ATOM 0 HD21 LEU A 15 5.902 -7.788 -22.750 1.00 31.43 H new ATOM 0 HD22 LEU A 15 5.681 -8.796 -21.300 1.00 31.43 H new ATOM 0 HD23 LEU A 15 5.957 -9.562 -22.882 1.00 31.43 H new ATOM 194 N THR A 16 1.711 -11.891 -23.970 1.00 13.21 N ATOM 195 CA THR A 16 1.419 -12.415 -25.298 1.00 33.52 C ATOM 196 C THR A 16 -0.006 -12.078 -25.721 1.00 74.21 C ATOM 197 O THR A 16 -0.220 -11.349 -26.690 1.00 14.44 O ATOM 198 CB THR A 16 1.611 -13.943 -25.353 1.00 54.21 C ATOM 199 OG1 THR A 16 2.974 -14.276 -25.069 1.00 11.12 O ATOM 200 CG2 THR A 16 1.225 -14.488 -26.720 1.00 54.40 C ATOM 0 H THR A 16 2.067 -12.584 -23.312 1.00 13.21 H new ATOM 0 HA THR A 16 2.120 -11.943 -25.986 1.00 33.52 H new ATOM 0 HB THR A 16 0.963 -14.396 -24.603 1.00 54.21 H new ATOM 0 HG1 THR A 16 3.087 -15.249 -25.104 1.00 11.12 H new ATOM 0 HG21 THR A 16 1.369 -15.568 -26.735 1.00 54.40 H new ATOM 0 HG22 THR A 16 0.179 -14.258 -26.921 1.00 54.40 H new ATOM 0 HG23 THR A 16 1.851 -14.028 -27.485 1.00 54.40 H new ATOM 208 N TYR A 17 -0.978 -12.613 -24.990 1.00 1.43 N ATOM 209 CA TYR A 17 -2.384 -12.369 -25.291 1.00 24.21 C ATOM 210 C TYR A 17 -2.707 -10.880 -25.214 1.00 72.23 C ATOM 211 O TYR A 17 -3.550 -10.377 -25.959 1.00 3.44 O ATOM 212 CB TYR A 17 -3.276 -13.147 -24.323 1.00 14.04 C ATOM 213 CG TYR A 17 -4.736 -12.759 -24.400 1.00 62.22 C ATOM 214 CD1 TYR A 17 -5.320 -11.977 -23.412 1.00 13.32 C ATOM 215 CD2 TYR A 17 -5.530 -13.176 -25.461 1.00 13.10 C ATOM 216 CE1 TYR A 17 -6.653 -11.620 -23.478 1.00 34.50 C ATOM 217 CE2 TYR A 17 -6.864 -12.823 -25.536 1.00 62.21 C ATOM 218 CZ TYR A 17 -7.421 -12.046 -24.542 1.00 42.33 C ATOM 219 OH TYR A 17 -8.749 -11.693 -24.613 1.00 32.52 O ATOM 0 H TYR A 17 -0.818 -13.218 -24.185 1.00 1.43 H new ATOM 0 HA TYR A 17 -2.577 -12.712 -26.308 1.00 24.21 H new ATOM 0 HB2 TYR A 17 -3.180 -14.213 -24.531 1.00 14.04 H new ATOM 0 HB3 TYR A 17 -2.919 -12.987 -23.305 1.00 14.04 H new ATOM 0 HD1 TYR A 17 -4.722 -11.642 -22.578 1.00 13.32 H new ATOM 0 HD2 TYR A 17 -5.098 -13.786 -26.240 1.00 13.10 H new ATOM 0 HE1 TYR A 17 -7.091 -11.011 -22.701 1.00 34.50 H new ATOM 0 HE2 TYR A 17 -7.467 -13.154 -26.369 1.00 62.21 H new ATOM 0 HH TYR A 17 -9.146 -12.073 -25.425 1.00 32.52 H new ATOM 229 N LEU A 18 -2.032 -10.181 -24.310 1.00 5.45 N ATOM 230 CA LEU A 18 -2.245 -8.748 -24.134 1.00 71.14 C ATOM 231 C LEU A 18 -1.688 -7.966 -25.319 1.00 42.42 C ATOM 232 O LEU A 18 -2.133 -6.854 -25.608 1.00 64.24 O ATOM 233 CB LEU A 18 -1.589 -8.269 -22.838 1.00 62.43 C ATOM 234 CG LEU A 18 -2.279 -8.691 -21.541 1.00 33.02 C ATOM 235 CD1 LEU A 18 -1.552 -8.113 -20.337 1.00 12.52 C ATOM 236 CD2 LEU A 18 -3.737 -8.255 -21.546 1.00 51.52 C ATOM 0 H LEU A 18 -1.332 -10.583 -23.686 1.00 5.45 H new ATOM 0 HA LEU A 18 -3.319 -8.570 -24.077 1.00 71.14 H new ATOM 0 HB2 LEU A 18 -0.563 -8.636 -22.816 1.00 62.43 H new ATOM 0 HB3 LEU A 18 -1.537 -7.180 -22.861 1.00 62.43 H new ATOM 0 HG LEU A 18 -2.246 -9.778 -21.472 1.00 33.02 H new ATOM 0 HD11 LEU A 18 -2.058 -8.424 -19.423 1.00 12.52 H new ATOM 0 HD12 LEU A 18 -0.524 -8.475 -20.324 1.00 12.52 H new ATOM 0 HD13 LEU A 18 -1.553 -7.025 -20.400 1.00 12.52 H new ATOM 0 HD21 LEU A 18 -4.212 -8.564 -20.615 1.00 51.52 H new ATOM 0 HD22 LEU A 18 -3.792 -7.170 -21.639 1.00 51.52 H new ATOM 0 HD23 LEU A 18 -4.252 -8.718 -22.387 1.00 51.52 H new ATOM 248 N THR A 19 -0.712 -8.554 -26.004 1.00 41.11 N ATOM 249 CA THR A 19 -0.094 -7.913 -27.158 1.00 73.12 C ATOM 250 C THR A 19 -0.751 -8.368 -28.457 1.00 22.15 C ATOM 251 O THR A 19 -0.120 -8.376 -29.513 1.00 14.41 O ATOM 252 CB THR A 19 1.415 -8.213 -27.227 1.00 31.23 C ATOM 253 OG1 THR A 19 1.632 -9.628 -27.266 1.00 32.15 O ATOM 254 CG2 THR A 19 2.140 -7.617 -26.030 1.00 42.40 C ATOM 0 H THR A 19 -0.332 -9.474 -25.779 1.00 41.11 H new ATOM 0 HA THR A 19 -0.238 -6.839 -27.037 1.00 73.12 H new ATOM 0 HB THR A 19 1.812 -7.760 -28.135 1.00 31.23 H new ATOM 0 HG1 THR A 19 0.770 -10.092 -27.219 1.00 32.15 H new ATOM 0 HG21 THR A 19 3.204 -7.842 -26.100 1.00 42.40 H new ATOM 0 HG22 THR A 19 1.997 -6.536 -26.019 1.00 42.40 H new ATOM 0 HG23 THR A 19 1.739 -8.045 -25.111 1.00 42.40 H new ATOM 262 N GLY A 20 -2.023 -8.747 -28.370 1.00 45.04 N ATOM 263 CA GLY A 20 -2.744 -9.198 -29.546 1.00 45.24 C ATOM 264 C GLY A 20 -2.576 -10.684 -29.795 1.00 1.31 C ATOM 265 O GLY A 20 -3.126 -11.226 -30.752 1.00 74.12 O ATOM 0 H GLY A 20 -2.566 -8.750 -27.507 1.00 45.04 H new ATOM 0 HA2 GLY A 20 -3.803 -8.970 -29.428 1.00 45.24 H new ATOM 0 HA3 GLY A 20 -2.394 -8.645 -30.417 1.00 45.24 H new ATOM 269 N GLY A 21 -1.811 -11.344 -28.931 1.00 33.43 N ATOM 270 CA GLY A 21 -1.585 -12.770 -29.080 1.00 23.13 C ATOM 271 C GLY A 21 -2.790 -13.594 -28.674 1.00 33.34 C ATOM 272 O GLY A 21 -3.804 -13.067 -28.215 1.00 41.33 O ATOM 0 H GLY A 21 -1.344 -10.917 -28.131 1.00 33.43 H new ATOM 0 HA2 GLY A 21 -1.333 -12.988 -30.118 1.00 23.13 H new ATOM 0 HA3 GLY A 21 -0.727 -13.064 -28.475 1.00 23.13 H new ATOM 276 N PRO A 22 -2.689 -14.921 -28.843 1.00 53.01 N ATOM 277 CA PRO A 22 -3.771 -15.848 -28.498 1.00 14.30 C ATOM 278 C PRO A 22 -3.982 -15.958 -26.992 1.00 13.42 C ATOM 279 O PRO A 22 -3.045 -15.797 -26.211 1.00 35.24 O ATOM 280 CB PRO A 22 -3.290 -17.184 -29.069 1.00 41.33 C ATOM 281 CG PRO A 22 -1.805 -17.067 -29.106 1.00 52.35 C ATOM 282 CD PRO A 22 -1.511 -15.619 -29.384 1.00 43.51 C ATOM 0 HA PRO A 22 -4.731 -15.520 -28.896 1.00 14.30 H new ATOM 0 HB2 PRO A 22 -3.606 -18.019 -28.443 1.00 41.33 H new ATOM 0 HB3 PRO A 22 -3.698 -17.359 -30.064 1.00 41.33 H new ATOM 0 HG2 PRO A 22 -1.365 -17.380 -28.159 1.00 52.35 H new ATOM 0 HG3 PRO A 22 -1.382 -17.707 -29.881 1.00 52.35 H new ATOM 0 HD2 PRO A 22 -0.592 -15.295 -28.895 1.00 43.51 H new ATOM 0 HD3 PRO A 22 -1.388 -15.432 -30.451 1.00 43.51 H new ATOM 290 N GLY A 23 -5.220 -16.233 -26.590 1.00 42.44 N ATOM 291 CA GLY A 23 -5.531 -16.359 -25.179 1.00 23.55 C ATOM 292 C GLY A 23 -6.922 -15.859 -24.844 1.00 2.10 C ATOM 293 O GLY A 23 -7.791 -15.751 -25.709 1.00 62.05 O ATOM 0 H GLY A 23 -6.012 -16.371 -27.217 1.00 42.44 H new ATOM 0 HA2 GLY A 23 -5.443 -17.404 -24.883 1.00 23.55 H new ATOM 0 HA3 GLY A 23 -4.798 -15.800 -24.597 1.00 23.55 H new ATOM 297 N PRO A 24 -7.149 -15.545 -23.560 1.00 1.40 N ATOM 298 CA PRO A 24 -6.122 -15.669 -22.521 1.00 34.41 C ATOM 299 C PRO A 24 -5.788 -17.124 -22.208 1.00 15.12 C ATOM 300 O PRO A 24 -6.676 -17.926 -21.918 1.00 11.15 O ATOM 301 CB PRO A 24 -6.764 -14.994 -21.306 1.00 24.41 C ATOM 302 CG PRO A 24 -8.231 -15.118 -21.534 1.00 44.23 C ATOM 303 CD PRO A 24 -8.425 -15.044 -23.024 1.00 15.45 C ATOM 0 HA PRO A 24 -5.177 -15.219 -22.825 1.00 34.41 H new ATOM 0 HB2 PRO A 24 -6.465 -15.482 -20.378 1.00 24.41 H new ATOM 0 HB3 PRO A 24 -6.462 -13.949 -21.228 1.00 24.41 H new ATOM 0 HG2 PRO A 24 -8.610 -16.060 -21.137 1.00 44.23 H new ATOM 0 HG3 PRO A 24 -8.774 -14.319 -21.029 1.00 44.23 H new ATOM 0 HD2 PRO A 24 -9.266 -15.656 -23.351 1.00 15.45 H new ATOM 0 HD3 PRO A 24 -8.626 -14.024 -23.353 1.00 15.45 H new ATOM 311 N SER A 25 -4.503 -17.457 -22.268 1.00 72.51 N ATOM 312 CA SER A 25 -4.053 -18.817 -21.994 1.00 44.00 C ATOM 313 C SER A 25 -4.329 -19.199 -20.543 1.00 55.11 C ATOM 314 O SER A 25 -4.593 -18.351 -19.690 1.00 45.34 O ATOM 315 CB SER A 25 -2.558 -18.951 -22.292 1.00 71.44 C ATOM 316 OG SER A 25 -1.889 -17.715 -22.114 1.00 53.14 O ATOM 0 H SER A 25 -3.755 -16.804 -22.504 1.00 72.51 H new ATOM 0 HA SER A 25 -4.609 -19.495 -22.642 1.00 44.00 H new ATOM 0 HB2 SER A 25 -2.119 -19.703 -21.636 1.00 71.44 H new ATOM 0 HB3 SER A 25 -2.418 -19.300 -23.315 1.00 71.44 H new ATOM 0 HG SER A 25 -0.935 -17.828 -22.309 1.00 53.14 H new ATOM 322 N PRO A 26 -4.269 -20.507 -20.255 1.00 34.51 N ATOM 323 CA PRO A 26 -4.510 -21.033 -18.908 1.00 20.22 C ATOM 324 C PRO A 26 -3.394 -20.668 -17.935 1.00 11.40 C ATOM 325 O PRO A 26 -3.629 -20.517 -16.736 1.00 42.34 O ATOM 326 CB PRO A 26 -4.558 -22.548 -19.122 1.00 21.24 C ATOM 327 CG PRO A 26 -3.751 -22.783 -20.352 1.00 0.13 C ATOM 328 CD PRO A 26 -3.961 -21.575 -21.222 1.00 13.43 C ATOM 0 HA PRO A 26 -5.418 -20.622 -18.467 1.00 20.22 H new ATOM 0 HB2 PRO A 26 -4.142 -23.082 -18.268 1.00 21.24 H new ATOM 0 HB3 PRO A 26 -5.583 -22.898 -19.248 1.00 21.24 H new ATOM 0 HG2 PRO A 26 -2.696 -22.910 -20.108 1.00 0.13 H new ATOM 0 HG3 PRO A 26 -4.072 -23.692 -20.862 1.00 0.13 H new ATOM 0 HD2 PRO A 26 -3.072 -21.342 -21.808 1.00 13.43 H new ATOM 0 HD3 PRO A 26 -4.778 -21.725 -21.928 1.00 13.43 H new ATOM 336 N GLN A 27 -2.181 -20.527 -18.459 1.00 41.52 N ATOM 337 CA GLN A 27 -1.029 -20.179 -17.636 1.00 11.45 C ATOM 338 C GLN A 27 -1.042 -18.696 -17.280 1.00 12.40 C ATOM 339 O GLN A 27 -0.535 -18.293 -16.233 1.00 1.13 O ATOM 340 CB GLN A 27 0.270 -20.529 -18.364 1.00 33.24 C ATOM 341 CG GLN A 27 0.352 -21.985 -18.794 1.00 2.04 C ATOM 342 CD GLN A 27 1.592 -22.282 -19.614 1.00 1.13 C ATOM 343 OE1 GLN A 27 2.516 -22.948 -19.145 1.00 74.11 O ATOM 344 NE2 GLN A 27 1.619 -21.788 -20.846 1.00 5.00 N ATOM 0 H GLN A 27 -1.970 -20.648 -19.450 1.00 41.52 H new ATOM 0 HA GLN A 27 -1.087 -20.756 -16.713 1.00 11.45 H new ATOM 0 HB2 GLN A 27 0.367 -19.893 -19.244 1.00 33.24 H new ATOM 0 HB3 GLN A 27 1.114 -20.303 -17.713 1.00 33.24 H new ATOM 0 HG2 GLN A 27 0.345 -22.622 -17.910 1.00 2.04 H new ATOM 0 HG3 GLN A 27 -0.534 -22.238 -19.377 1.00 2.04 H new ATOM 0 HE21 GLN A 27 0.831 -21.242 -21.194 1.00 5.00 H new ATOM 0 HE22 GLN A 27 2.428 -21.955 -21.445 1.00 5.00 H new ATOM 353 N CYS A 28 -1.625 -17.887 -18.158 1.00 51.34 N ATOM 354 CA CYS A 28 -1.704 -16.448 -17.939 1.00 0.34 C ATOM 355 C CYS A 28 -2.710 -16.120 -16.839 1.00 51.21 C ATOM 356 O CYS A 28 -2.403 -15.386 -15.900 1.00 4.44 O ATOM 357 CB CYS A 28 -2.096 -15.734 -19.234 1.00 12.44 C ATOM 358 SG CYS A 28 -2.983 -14.163 -18.977 1.00 71.13 S ATOM 0 H CYS A 28 -2.050 -18.204 -19.029 1.00 51.34 H new ATOM 0 HA CYS A 28 -0.721 -16.099 -17.624 1.00 0.34 H new ATOM 0 HB2 CYS A 28 -1.195 -15.539 -19.816 1.00 12.44 H new ATOM 0 HB3 CYS A 28 -2.722 -16.400 -19.828 1.00 12.44 H new ATOM 363 N CYS A 29 -3.914 -16.669 -16.963 1.00 65.31 N ATOM 364 CA CYS A 29 -4.966 -16.436 -15.981 1.00 61.35 C ATOM 365 C CYS A 29 -4.455 -16.690 -14.566 1.00 12.30 C ATOM 366 O CYS A 29 -4.852 -16.010 -13.620 1.00 73.15 O ATOM 367 CB CYS A 29 -6.169 -17.336 -16.270 1.00 14.11 C ATOM 368 SG CYS A 29 -7.245 -16.732 -17.611 1.00 2.15 S ATOM 0 H CYS A 29 -4.185 -17.279 -17.734 1.00 65.31 H new ATOM 0 HA CYS A 29 -5.274 -15.393 -16.055 1.00 61.35 H new ATOM 0 HB2 CYS A 29 -5.810 -18.332 -16.528 1.00 14.11 H new ATOM 0 HB3 CYS A 29 -6.761 -17.436 -15.360 1.00 14.11 H new ATOM 373 N GLY A 30 -3.571 -17.673 -14.429 1.00 32.52 N ATOM 374 CA GLY A 30 -3.020 -17.999 -13.126 1.00 73.54 C ATOM 375 C GLY A 30 -2.389 -16.800 -12.447 1.00 71.32 C ATOM 376 O GLY A 30 -2.561 -16.596 -11.246 1.00 72.43 O ATOM 0 H GLY A 30 -3.226 -18.250 -15.197 1.00 32.52 H new ATOM 0 HA2 GLY A 30 -3.810 -18.398 -12.490 1.00 73.54 H new ATOM 0 HA3 GLY A 30 -2.273 -18.785 -13.237 1.00 73.54 H new ATOM 380 N GLY A 31 -1.654 -16.005 -13.218 1.00 4.41 N ATOM 381 CA GLY A 31 -1.004 -14.830 -12.665 1.00 60.44 C ATOM 382 C GLY A 31 -1.976 -13.695 -12.412 1.00 30.30 C ATOM 383 O GLY A 31 -1.888 -13.009 -11.394 1.00 14.22 O ATOM 0 H GLY A 31 -1.497 -16.153 -14.215 1.00 4.41 H new ATOM 0 HA2 GLY A 31 -0.511 -15.097 -11.730 1.00 60.44 H new ATOM 0 HA3 GLY A 31 -0.226 -14.492 -13.350 1.00 60.44 H new ATOM 387 N VAL A 32 -2.905 -13.495 -13.341 1.00 73.22 N ATOM 388 CA VAL A 32 -3.898 -12.435 -13.214 1.00 43.21 C ATOM 389 C VAL A 32 -4.595 -12.494 -11.860 1.00 2.15 C ATOM 390 O VAL A 32 -4.757 -11.475 -11.187 1.00 73.42 O ATOM 391 CB VAL A 32 -4.957 -12.521 -14.329 1.00 34.24 C ATOM 392 CG1 VAL A 32 -5.996 -11.422 -14.164 1.00 72.33 C ATOM 393 CG2 VAL A 32 -4.298 -12.443 -15.697 1.00 50.43 C ATOM 0 H VAL A 32 -2.991 -14.053 -14.190 1.00 73.22 H new ATOM 0 HA VAL A 32 -3.364 -11.489 -13.303 1.00 43.21 H new ATOM 0 HB VAL A 32 -5.465 -13.482 -14.251 1.00 34.24 H new ATOM 0 HG11 VAL A 32 -6.736 -11.498 -14.961 1.00 72.33 H new ATOM 0 HG12 VAL A 32 -6.490 -11.530 -13.198 1.00 72.33 H new ATOM 0 HG13 VAL A 32 -5.508 -10.449 -14.215 1.00 72.33 H new ATOM 0 HG21 VAL A 32 -5.061 -12.505 -16.473 1.00 50.43 H new ATOM 0 HG22 VAL A 32 -3.763 -11.498 -15.790 1.00 50.43 H new ATOM 0 HG23 VAL A 32 -3.597 -13.270 -15.811 1.00 50.43 H new ATOM 403 N LYS A 33 -5.005 -13.694 -11.463 1.00 71.05 N ATOM 404 CA LYS A 33 -5.684 -13.889 -10.188 1.00 3.43 C ATOM 405 C LYS A 33 -4.759 -13.552 -9.022 1.00 42.45 C ATOM 406 O LYS A 33 -5.175 -12.928 -8.046 1.00 32.11 O ATOM 407 CB LYS A 33 -6.174 -15.333 -10.062 1.00 42.14 C ATOM 408 CG LYS A 33 -7.177 -15.730 -11.132 1.00 2.23 C ATOM 409 CD LYS A 33 -6.976 -17.168 -11.578 1.00 71.31 C ATOM 410 CE LYS A 33 -8.039 -17.595 -12.579 1.00 13.14 C ATOM 411 NZ LYS A 33 -8.569 -18.954 -12.279 1.00 14.10 N ATOM 0 H LYS A 33 -4.878 -14.547 -12.007 1.00 71.05 H new ATOM 0 HA LYS A 33 -6.542 -13.217 -10.156 1.00 3.43 H new ATOM 0 HB2 LYS A 33 -5.317 -16.004 -10.112 1.00 42.14 H new ATOM 0 HB3 LYS A 33 -6.629 -15.469 -9.081 1.00 42.14 H new ATOM 0 HG2 LYS A 33 -8.189 -15.605 -10.747 1.00 2.23 H new ATOM 0 HG3 LYS A 33 -7.078 -15.065 -11.990 1.00 2.23 H new ATOM 0 HD2 LYS A 33 -5.988 -17.276 -12.026 1.00 71.31 H new ATOM 0 HD3 LYS A 33 -7.006 -17.827 -10.710 1.00 71.31 H new ATOM 0 HE2 LYS A 33 -8.858 -16.875 -12.569 1.00 13.14 H new ATOM 0 HE3 LYS A 33 -7.617 -17.583 -13.584 1.00 13.14 H new ATOM 0 HZ1 LYS A 33 -9.291 -19.208 -12.983 1.00 14.10 H new ATOM 0 HZ2 LYS A 33 -7.792 -19.645 -12.314 1.00 14.10 H new ATOM 0 HZ3 LYS A 33 -8.995 -18.959 -11.330 1.00 14.10 H new ATOM 425 N LYS A 34 -3.501 -13.966 -9.132 1.00 73.51 N ATOM 426 CA LYS A 34 -2.516 -13.707 -8.089 1.00 43.45 C ATOM 427 C LYS A 34 -2.267 -12.209 -7.937 1.00 62.40 C ATOM 428 O LYS A 34 -2.117 -11.705 -6.823 1.00 50.24 O ATOM 429 CB LYS A 34 -1.202 -14.423 -8.411 1.00 0.41 C ATOM 430 CG LYS A 34 -0.077 -14.091 -7.446 1.00 64.02 C ATOM 431 CD LYS A 34 0.875 -15.263 -7.276 1.00 23.02 C ATOM 432 CE LYS A 34 2.249 -14.803 -6.813 1.00 0.40 C ATOM 433 NZ LYS A 34 3.276 -15.869 -6.977 1.00 13.32 N ATOM 0 H LYS A 34 -3.140 -14.483 -9.934 1.00 73.51 H new ATOM 0 HA LYS A 34 -2.910 -14.090 -7.148 1.00 43.45 H new ATOM 0 HB2 LYS A 34 -1.372 -15.500 -8.401 1.00 0.41 H new ATOM 0 HB3 LYS A 34 -0.892 -14.159 -9.422 1.00 0.41 H new ATOM 0 HG2 LYS A 34 0.473 -13.224 -7.812 1.00 64.02 H new ATOM 0 HG3 LYS A 34 -0.496 -13.818 -6.478 1.00 64.02 H new ATOM 0 HD2 LYS A 34 0.463 -15.966 -6.552 1.00 23.02 H new ATOM 0 HD3 LYS A 34 0.969 -15.797 -8.222 1.00 23.02 H new ATOM 0 HE2 LYS A 34 2.547 -13.921 -7.381 1.00 0.40 H new ATOM 0 HE3 LYS A 34 2.198 -14.506 -5.766 1.00 0.40 H new ATOM 0 HZ1 LYS A 34 4.198 -15.516 -6.650 1.00 13.32 H new ATOM 0 HZ2 LYS A 34 3.005 -16.701 -6.415 1.00 13.32 H new ATOM 0 HZ3 LYS A 34 3.343 -16.135 -7.980 1.00 13.32 H new ATOM 447 N LEU A 35 -2.225 -11.504 -9.062 1.00 12.22 N ATOM 448 CA LEU A 35 -1.996 -10.063 -9.053 1.00 71.11 C ATOM 449 C LEU A 35 -3.165 -9.330 -8.403 1.00 41.20 C ATOM 450 O LEU A 35 -2.977 -8.528 -7.487 1.00 24.22 O ATOM 451 CB LEU A 35 -1.788 -9.551 -10.480 1.00 30.44 C ATOM 452 CG LEU A 35 -1.895 -8.038 -10.672 1.00 64.20 C ATOM 453 CD1 LEU A 35 -0.996 -7.310 -9.685 1.00 3.10 C ATOM 454 CD2 LEU A 35 -1.540 -7.656 -12.102 1.00 22.14 C ATOM 0 H LEU A 35 -2.346 -11.906 -9.992 1.00 12.22 H new ATOM 0 HA LEU A 35 -1.097 -9.866 -8.468 1.00 71.11 H new ATOM 0 HB2 LEU A 35 -0.803 -9.872 -10.820 1.00 30.44 H new ATOM 0 HB3 LEU A 35 -2.521 -10.032 -11.128 1.00 30.44 H new ATOM 0 HG LEU A 35 -2.926 -7.738 -10.482 1.00 64.20 H new ATOM 0 HD11 LEU A 35 -1.085 -6.234 -9.837 1.00 3.10 H new ATOM 0 HD12 LEU A 35 -1.296 -7.559 -8.667 1.00 3.10 H new ATOM 0 HD13 LEU A 35 0.039 -7.614 -9.843 1.00 3.10 H new ATOM 0 HD21 LEU A 35 -1.621 -6.576 -12.221 1.00 22.14 H new ATOM 0 HD22 LEU A 35 -0.519 -7.969 -12.319 1.00 22.14 H new ATOM 0 HD23 LEU A 35 -2.225 -8.150 -12.791 1.00 22.14 H new ATOM 466 N LEU A 36 -4.372 -9.611 -8.881 1.00 11.40 N ATOM 467 CA LEU A 36 -5.573 -8.979 -8.345 1.00 31.51 C ATOM 468 C LEU A 36 -5.806 -9.394 -6.896 1.00 22.54 C ATOM 469 O LEU A 36 -6.294 -8.608 -6.085 1.00 5.40 O ATOM 470 CB LEU A 36 -6.790 -9.349 -9.195 1.00 31.12 C ATOM 471 CG LEU A 36 -6.809 -8.791 -10.618 1.00 61.34 C ATOM 472 CD1 LEU A 36 -7.933 -9.423 -11.425 1.00 21.45 C ATOM 473 CD2 LEU A 36 -6.953 -7.277 -10.596 1.00 2.52 C ATOM 0 H LEU A 36 -4.545 -10.272 -9.638 1.00 11.40 H new ATOM 0 HA LEU A 36 -5.430 -7.899 -8.376 1.00 31.51 H new ATOM 0 HB2 LEU A 36 -6.852 -10.436 -9.251 1.00 31.12 H new ATOM 0 HB3 LEU A 36 -7.687 -9.005 -8.679 1.00 31.12 H new ATOM 0 HG LEU A 36 -5.862 -9.039 -11.097 1.00 61.34 H new ATOM 0 HD11 LEU A 36 -7.931 -9.013 -12.435 1.00 21.45 H new ATOM 0 HD12 LEU A 36 -7.786 -10.502 -11.471 1.00 21.45 H new ATOM 0 HD13 LEU A 36 -8.889 -9.207 -10.948 1.00 21.45 H new ATOM 0 HD21 LEU A 36 -6.965 -6.898 -11.618 1.00 2.52 H new ATOM 0 HD22 LEU A 36 -7.884 -7.007 -10.098 1.00 2.52 H new ATOM 0 HD23 LEU A 36 -6.113 -6.839 -10.056 1.00 2.52 H new ATOM 485 N ALA A 37 -5.451 -10.635 -6.577 1.00 14.04 N ATOM 486 CA ALA A 37 -5.617 -11.153 -5.224 1.00 75.14 C ATOM 487 C ALA A 37 -4.737 -10.397 -4.235 1.00 34.02 C ATOM 488 O ALA A 37 -5.045 -10.324 -3.046 1.00 34.34 O ATOM 489 CB ALA A 37 -5.300 -12.641 -5.186 1.00 40.44 C ATOM 0 H ALA A 37 -5.047 -11.300 -7.237 1.00 14.04 H new ATOM 0 HA ALA A 37 -6.656 -11.007 -4.930 1.00 75.14 H new ATOM 0 HB1 ALA A 37 -5.428 -13.014 -4.170 1.00 40.44 H new ATOM 0 HB2 ALA A 37 -5.974 -13.174 -5.856 1.00 40.44 H new ATOM 0 HB3 ALA A 37 -4.270 -12.802 -5.505 1.00 40.44 H new ATOM 495 N ALA A 38 -3.641 -9.836 -4.734 1.00 22.21 N ATOM 496 CA ALA A 38 -2.717 -9.085 -3.893 1.00 40.45 C ATOM 497 C ALA A 38 -3.204 -7.655 -3.685 1.00 42.52 C ATOM 498 O ALA A 38 -3.071 -7.096 -2.597 1.00 32.14 O ATOM 499 CB ALA A 38 -1.325 -9.086 -4.507 1.00 63.12 C ATOM 0 H ALA A 38 -3.371 -9.887 -5.716 1.00 22.21 H new ATOM 0 HA ALA A 38 -2.673 -9.572 -2.919 1.00 40.45 H new ATOM 0 HB1 ALA A 38 -0.645 -8.522 -3.869 1.00 63.12 H new ATOM 0 HB2 ALA A 38 -0.969 -10.112 -4.599 1.00 63.12 H new ATOM 0 HB3 ALA A 38 -1.362 -8.625 -5.494 1.00 63.12 H new ATOM 505 N ALA A 39 -3.767 -7.067 -4.736 1.00 22.10 N ATOM 506 CA ALA A 39 -4.274 -5.702 -4.667 1.00 74.43 C ATOM 507 C ALA A 39 -5.600 -5.647 -3.916 1.00 75.14 C ATOM 508 O ALA A 39 -6.646 -5.374 -4.504 1.00 72.41 O ATOM 509 CB ALA A 39 -4.434 -5.128 -6.067 1.00 3.51 C ATOM 0 H ALA A 39 -3.883 -7.515 -5.645 1.00 22.10 H new ATOM 0 HA ALA A 39 -3.551 -5.098 -4.119 1.00 74.43 H new ATOM 0 HB1 ALA A 39 -4.813 -4.108 -6.001 1.00 3.51 H new ATOM 0 HB2 ALA A 39 -3.468 -5.124 -6.571 1.00 3.51 H new ATOM 0 HB3 ALA A 39 -5.136 -5.740 -6.633 1.00 3.51 H new ATOM 515 N ASN A 40 -5.549 -5.908 -2.614 1.00 73.53 N ATOM 516 CA ASN A 40 -6.748 -5.890 -1.783 1.00 44.52 C ATOM 517 C ASN A 40 -6.878 -4.560 -1.047 1.00 1.23 C ATOM 518 O ASN A 40 -7.905 -4.277 -0.429 1.00 51.21 O ATOM 519 CB ASN A 40 -6.714 -7.042 -0.777 1.00 1.40 C ATOM 520 CG ASN A 40 -8.072 -7.307 -0.156 1.00 61.25 C ATOM 521 OD1 ASN A 40 -8.435 -6.702 0.852 1.00 22.24 O ATOM 522 ND2 ASN A 40 -8.830 -8.216 -0.759 1.00 22.33 N ATOM 0 H ASN A 40 -4.691 -6.134 -2.111 1.00 73.53 H new ATOM 0 HA ASN A 40 -7.614 -6.011 -2.434 1.00 44.52 H new ATOM 0 HB2 ASN A 40 -6.363 -7.946 -1.275 1.00 1.40 H new ATOM 0 HB3 ASN A 40 -5.996 -6.812 0.010 1.00 1.40 H new ATOM 0 HD21 ASN A 40 -9.754 -8.437 -0.388 1.00 22.33 H new ATOM 0 HD22 ASN A 40 -8.488 -8.693 -1.593 1.00 22.33 H new ATOM 529 N THR A 41 -5.829 -3.746 -1.117 1.00 12.55 N ATOM 530 CA THR A 41 -5.825 -2.446 -0.457 1.00 33.14 C ATOM 531 C THR A 41 -5.925 -1.313 -1.472 1.00 64.51 C ATOM 532 O THR A 41 -5.722 -1.519 -2.669 1.00 54.14 O ATOM 533 CB THR A 41 -4.554 -2.250 0.391 1.00 32.41 C ATOM 534 OG1 THR A 41 -3.524 -3.138 -0.058 1.00 51.24 O ATOM 535 CG2 THR A 41 -4.841 -2.503 1.863 1.00 34.04 C ATOM 0 H THR A 41 -4.971 -3.964 -1.624 1.00 12.55 H new ATOM 0 HA THR A 41 -6.697 -2.422 0.197 1.00 33.14 H new ATOM 0 HB THR A 41 -4.221 -1.219 0.274 1.00 32.41 H new ATOM 0 HG1 THR A 41 -2.854 -3.246 0.649 1.00 51.24 H new ATOM 0 HG21 THR A 41 -3.929 -2.359 2.442 1.00 34.04 H new ATOM 0 HG22 THR A 41 -5.605 -1.807 2.210 1.00 34.04 H new ATOM 0 HG23 THR A 41 -5.196 -3.525 1.994 1.00 34.04 H new ATOM 543 N THR A 42 -6.237 -0.116 -0.987 1.00 42.41 N ATOM 544 CA THR A 42 -6.363 1.050 -1.853 1.00 13.14 C ATOM 545 C THR A 42 -5.024 1.416 -2.482 1.00 21.40 C ATOM 546 O THR A 42 -4.898 1.547 -3.700 1.00 11.34 O ATOM 547 CB THR A 42 -6.904 2.268 -1.079 1.00 64.15 C ATOM 548 OG1 THR A 42 -8.325 2.167 -0.939 1.00 11.43 O ATOM 549 CG2 THR A 42 -6.550 3.563 -1.794 1.00 50.25 C ATOM 0 H THR A 42 -6.407 0.072 0.001 1.00 42.41 H new ATOM 0 HA THR A 42 -7.070 0.785 -2.639 1.00 13.14 H new ATOM 0 HB THR A 42 -6.442 2.279 -0.092 1.00 64.15 H new ATOM 0 HG1 THR A 42 -8.661 2.944 -0.445 1.00 11.43 H new ATOM 0 HG21 THR A 42 -6.942 4.409 -1.230 1.00 50.25 H new ATOM 0 HG22 THR A 42 -5.466 3.650 -1.873 1.00 50.25 H new ATOM 0 HG23 THR A 42 -6.988 3.559 -2.792 1.00 50.25 H new ATOM 557 N PRO A 43 -3.997 1.583 -1.635 1.00 53.11 N ATOM 558 CA PRO A 43 -2.648 1.935 -2.087 1.00 23.41 C ATOM 559 C PRO A 43 -1.971 0.791 -2.836 1.00 10.54 C ATOM 560 O PRO A 43 -0.921 0.976 -3.452 1.00 32.12 O ATOM 561 CB PRO A 43 -1.904 2.234 -0.783 1.00 0.11 C ATOM 562 CG PRO A 43 -2.633 1.455 0.257 1.00 55.43 C ATOM 563 CD PRO A 43 -4.075 1.442 -0.171 1.00 61.24 C ATOM 0 HA PRO A 43 -2.658 2.769 -2.789 1.00 23.41 H new ATOM 0 HB2 PRO A 43 -0.859 1.930 -0.845 1.00 0.11 H new ATOM 0 HB3 PRO A 43 -1.913 3.300 -0.558 1.00 0.11 H new ATOM 0 HG2 PRO A 43 -2.239 0.441 0.333 1.00 55.43 H new ATOM 0 HG3 PRO A 43 -2.521 1.915 1.239 1.00 55.43 H new ATOM 0 HD2 PRO A 43 -4.572 0.516 0.118 1.00 61.24 H new ATOM 0 HD3 PRO A 43 -4.636 2.259 0.282 1.00 61.24 H new ATOM 571 N ASP A 44 -2.579 -0.388 -2.779 1.00 24.54 N ATOM 572 CA ASP A 44 -2.035 -1.562 -3.453 1.00 51.30 C ATOM 573 C ASP A 44 -2.529 -1.637 -4.894 1.00 63.15 C ATOM 574 O ASP A 44 -1.791 -2.043 -5.793 1.00 53.30 O ATOM 575 CB ASP A 44 -2.424 -2.835 -2.700 1.00 52.03 C ATOM 576 CG ASP A 44 -1.404 -3.219 -1.647 1.00 31.33 C ATOM 577 OD1 ASP A 44 -0.617 -2.341 -1.234 1.00 33.31 O ATOM 578 OD2 ASP A 44 -1.393 -4.398 -1.234 1.00 41.32 O ATOM 0 H ASP A 44 -3.449 -0.557 -2.273 1.00 24.54 H new ATOM 0 HA ASP A 44 -0.949 -1.474 -3.464 1.00 51.30 H new ATOM 0 HB2 ASP A 44 -3.395 -2.691 -2.226 1.00 52.03 H new ATOM 0 HB3 ASP A 44 -2.535 -3.654 -3.410 1.00 52.03 H new ATOM 583 N ARG A 45 -3.781 -1.245 -5.107 1.00 64.01 N ATOM 584 CA ARG A 45 -4.373 -1.271 -6.439 1.00 15.52 C ATOM 585 C ARG A 45 -3.843 -0.122 -7.292 1.00 70.11 C ATOM 586 O ARG A 45 -3.549 -0.299 -8.474 1.00 32.51 O ATOM 587 CB ARG A 45 -5.898 -1.187 -6.343 1.00 60.23 C ATOM 588 CG ARG A 45 -6.502 -2.182 -5.366 1.00 13.12 C ATOM 589 CD ARG A 45 -7.505 -3.097 -6.051 1.00 32.01 C ATOM 590 NE ARG A 45 -8.518 -2.345 -6.788 1.00 25.41 N ATOM 591 CZ ARG A 45 -9.341 -2.895 -7.674 1.00 3.11 C ATOM 592 NH1 ARG A 45 -9.272 -4.194 -7.931 1.00 43.33 N ATOM 593 NH2 ARG A 45 -10.236 -2.145 -8.304 1.00 44.22 N ATOM 0 H ARG A 45 -4.405 -0.906 -4.375 1.00 64.01 H new ATOM 0 HA ARG A 45 -4.096 -2.212 -6.915 1.00 15.52 H new ATOM 0 HB2 ARG A 45 -6.180 -0.178 -6.042 1.00 60.23 H new ATOM 0 HB3 ARG A 45 -6.326 -1.356 -7.331 1.00 60.23 H new ATOM 0 HG2 ARG A 45 -5.709 -2.781 -4.918 1.00 13.12 H new ATOM 0 HG3 ARG A 45 -6.993 -1.645 -4.555 1.00 13.12 H new ATOM 0 HD2 ARG A 45 -6.979 -3.764 -6.735 1.00 32.01 H new ATOM 0 HD3 ARG A 45 -7.991 -3.725 -5.305 1.00 32.01 H new ATOM 0 HE ARG A 45 -8.598 -1.343 -6.613 1.00 25.41 H new ATOM 0 HH11 ARG A 45 -8.586 -4.774 -7.448 1.00 43.33 H new ATOM 0 HH12 ARG A 45 -9.905 -4.614 -8.612 1.00 43.33 H new ATOM 0 HH21 ARG A 45 -10.292 -1.146 -8.108 1.00 44.22 H new ATOM 0 HH22 ARG A 45 -10.868 -2.568 -8.984 1.00 44.22 H new ATOM 607 N GLN A 46 -3.724 1.054 -6.684 1.00 72.05 N ATOM 608 CA GLN A 46 -3.231 2.231 -7.389 1.00 44.03 C ATOM 609 C GLN A 46 -1.858 1.965 -7.998 1.00 3.10 C ATOM 610 O GLN A 46 -1.643 2.186 -9.189 1.00 61.24 O ATOM 611 CB GLN A 46 -3.157 3.427 -6.439 1.00 11.32 C ATOM 612 CG GLN A 46 -4.508 3.843 -5.879 1.00 2.22 C ATOM 613 CD GLN A 46 -4.385 4.803 -4.712 1.00 13.20 C ATOM 614 OE1 GLN A 46 -3.577 4.597 -3.806 1.00 50.41 O ATOM 615 NE2 GLN A 46 -5.189 5.860 -4.728 1.00 1.13 N ATOM 0 H GLN A 46 -3.962 1.217 -5.706 1.00 72.05 H new ATOM 0 HA GLN A 46 -3.928 2.459 -8.195 1.00 44.03 H new ATOM 0 HB2 GLN A 46 -2.490 3.183 -5.612 1.00 11.32 H new ATOM 0 HB3 GLN A 46 -2.715 4.273 -6.966 1.00 11.32 H new ATOM 0 HG2 GLN A 46 -5.096 4.310 -6.669 1.00 2.22 H new ATOM 0 HG3 GLN A 46 -5.053 2.955 -5.558 1.00 2.22 H new ATOM 0 HE21 GLN A 46 -5.844 5.991 -5.499 1.00 1.13 H new ATOM 0 HE22 GLN A 46 -5.152 6.541 -3.969 1.00 1.13 H new ATOM 624 N ALA A 47 -0.931 1.490 -7.172 1.00 15.24 N ATOM 625 CA ALA A 47 0.420 1.193 -7.629 1.00 22.21 C ATOM 626 C ALA A 47 0.414 0.084 -8.676 1.00 30.13 C ATOM 627 O ALA A 47 1.026 0.214 -9.736 1.00 14.45 O ATOM 628 CB ALA A 47 1.302 0.805 -6.452 1.00 24.25 C ATOM 0 H ALA A 47 -1.092 1.303 -6.182 1.00 15.24 H new ATOM 0 HA ALA A 47 0.826 2.092 -8.092 1.00 22.21 H new ATOM 0 HB1 ALA A 47 2.309 0.586 -6.808 1.00 24.25 H new ATOM 0 HB2 ALA A 47 1.341 1.629 -5.739 1.00 24.25 H new ATOM 0 HB3 ALA A 47 0.890 -0.078 -5.964 1.00 24.25 H new ATOM 634 N ALA A 48 -0.281 -1.007 -8.371 1.00 24.42 N ATOM 635 CA ALA A 48 -0.367 -2.138 -9.286 1.00 71.51 C ATOM 636 C ALA A 48 -0.729 -1.679 -10.694 1.00 54.42 C ATOM 637 O ALA A 48 -0.004 -1.948 -11.652 1.00 51.22 O ATOM 638 CB ALA A 48 -1.385 -3.150 -8.781 1.00 13.23 C ATOM 0 H ALA A 48 -0.793 -1.131 -7.497 1.00 24.42 H new ATOM 0 HA ALA A 48 0.613 -2.614 -9.328 1.00 71.51 H new ATOM 0 HB1 ALA A 48 -1.439 -3.989 -9.474 1.00 13.23 H new ATOM 0 HB2 ALA A 48 -1.083 -3.510 -7.798 1.00 13.23 H new ATOM 0 HB3 ALA A 48 -2.364 -2.676 -8.709 1.00 13.23 H new ATOM 644 N CYS A 49 -1.856 -0.984 -10.813 1.00 71.33 N ATOM 645 CA CYS A 49 -2.316 -0.488 -12.104 1.00 50.35 C ATOM 646 C CYS A 49 -1.309 0.491 -12.701 1.00 1.52 C ATOM 647 O CYS A 49 -0.783 0.270 -13.791 1.00 21.25 O ATOM 648 CB CYS A 49 -3.679 0.192 -11.957 1.00 22.00 C ATOM 649 SG CYS A 49 -4.406 0.750 -13.531 1.00 45.34 S ATOM 0 H CYS A 49 -2.467 -0.752 -10.030 1.00 71.33 H new ATOM 0 HA CYS A 49 -2.413 -1.339 -12.778 1.00 50.35 H new ATOM 0 HB2 CYS A 49 -4.369 -0.502 -11.476 1.00 22.00 H new ATOM 0 HB3 CYS A 49 -3.575 1.050 -11.293 1.00 22.00 H new ATOM 654 N ASN A 50 -1.046 1.575 -11.977 1.00 62.04 N ATOM 655 CA ASN A 50 -0.102 2.589 -12.435 1.00 32.44 C ATOM 656 C ASN A 50 1.190 1.945 -12.929 1.00 0.42 C ATOM 657 O ASN A 50 1.791 2.402 -13.901 1.00 44.24 O ATOM 658 CB ASN A 50 0.205 3.575 -11.306 1.00 41.22 C ATOM 659 CG ASN A 50 -1.027 4.333 -10.849 1.00 64.32 C ATOM 660 OD1 ASN A 50 -1.988 4.488 -11.602 1.00 51.31 O ATOM 661 ND2 ASN A 50 -1.002 4.808 -9.610 1.00 13.44 N ATOM 0 H ASN A 50 -1.473 1.774 -11.072 1.00 62.04 H new ATOM 0 HA ASN A 50 -0.559 3.128 -13.265 1.00 32.44 H new ATOM 0 HB2 ASN A 50 0.630 3.034 -10.460 1.00 41.22 H new ATOM 0 HB3 ASN A 50 0.961 4.285 -11.643 1.00 41.22 H new ATOM 0 HD21 ASN A 50 -1.802 5.326 -9.246 1.00 13.44 H new ATOM 0 HD22 ASN A 50 -0.183 4.655 -9.022 1.00 13.44 H new ATOM 668 N CYS A 51 1.611 0.882 -12.253 1.00 4.04 N ATOM 669 CA CYS A 51 2.832 0.175 -12.622 1.00 34.35 C ATOM 670 C CYS A 51 2.725 -0.394 -14.033 1.00 73.43 C ATOM 671 O CYS A 51 3.651 -0.272 -14.836 1.00 51.20 O ATOM 672 CB CYS A 51 3.114 -0.952 -11.626 1.00 11.14 C ATOM 673 SG CYS A 51 4.008 -0.417 -10.131 1.00 54.42 S ATOM 0 H CYS A 51 1.125 0.491 -11.446 1.00 4.04 H new ATOM 0 HA CYS A 51 3.657 0.887 -12.598 1.00 34.35 H new ATOM 0 HB2 CYS A 51 2.168 -1.404 -11.328 1.00 11.14 H new ATOM 0 HB3 CYS A 51 3.695 -1.727 -12.126 1.00 11.14 H new ATOM 678 N LEU A 52 1.589 -1.017 -14.330 1.00 1.23 N ATOM 679 CA LEU A 52 1.360 -1.605 -15.645 1.00 33.23 C ATOM 680 C LEU A 52 1.061 -0.525 -16.680 1.00 20.32 C ATOM 681 O LEU A 52 1.414 -0.659 -17.852 1.00 11.52 O ATOM 682 CB LEU A 52 0.202 -2.603 -15.584 1.00 22.43 C ATOM 683 CG LEU A 52 0.369 -3.766 -14.604 1.00 42.24 C ATOM 684 CD1 LEU A 52 -0.784 -4.748 -14.740 1.00 13.43 C ATOM 685 CD2 LEU A 52 1.700 -4.468 -14.833 1.00 34.44 C ATOM 0 H LEU A 52 0.813 -1.128 -13.678 1.00 1.23 H new ATOM 0 HA LEU A 52 2.268 -2.128 -15.945 1.00 33.23 H new ATOM 0 HB2 LEU A 52 -0.706 -2.060 -15.321 1.00 22.43 H new ATOM 0 HB3 LEU A 52 0.050 -3.014 -16.582 1.00 22.43 H new ATOM 0 HG LEU A 52 0.361 -3.366 -13.590 1.00 42.24 H new ATOM 0 HD11 LEU A 52 -0.648 -5.568 -14.035 1.00 13.43 H new ATOM 0 HD12 LEU A 52 -1.723 -4.238 -14.527 1.00 13.43 H new ATOM 0 HD13 LEU A 52 -0.808 -5.142 -15.756 1.00 13.43 H new ATOM 0 HD21 LEU A 52 1.803 -5.293 -14.128 1.00 34.44 H new ATOM 0 HD22 LEU A 52 1.737 -4.855 -15.851 1.00 34.44 H new ATOM 0 HD23 LEU A 52 2.515 -3.760 -14.684 1.00 34.44 H new ATOM 697 N LYS A 53 0.410 0.546 -16.239 1.00 21.23 N ATOM 698 CA LYS A 53 0.066 1.652 -17.125 1.00 24.52 C ATOM 699 C LYS A 53 1.320 2.270 -17.734 1.00 43.42 C ATOM 700 O LYS A 53 1.332 2.645 -18.907 1.00 10.44 O ATOM 701 CB LYS A 53 -0.722 2.718 -16.361 1.00 71.12 C ATOM 702 CG LYS A 53 -1.938 2.171 -15.634 1.00 31.22 C ATOM 703 CD LYS A 53 -3.212 2.877 -16.067 1.00 63.05 C ATOM 704 CE LYS A 53 -3.877 2.161 -17.233 1.00 45.23 C ATOM 705 NZ LYS A 53 -5.251 1.702 -16.891 1.00 70.30 N ATOM 0 H LYS A 53 0.110 0.672 -15.272 1.00 21.23 H new ATOM 0 HA LYS A 53 -0.553 1.260 -17.932 1.00 24.52 H new ATOM 0 HB2 LYS A 53 -0.062 3.197 -15.638 1.00 71.12 H new ATOM 0 HB3 LYS A 53 -1.044 3.490 -17.060 1.00 71.12 H new ATOM 0 HG2 LYS A 53 -2.029 1.102 -15.829 1.00 31.22 H new ATOM 0 HG3 LYS A 53 -1.803 2.289 -14.559 1.00 31.22 H new ATOM 0 HD2 LYS A 53 -3.905 2.928 -15.227 1.00 63.05 H new ATOM 0 HD3 LYS A 53 -2.981 3.903 -16.353 1.00 63.05 H new ATOM 0 HE2 LYS A 53 -3.921 2.830 -18.092 1.00 45.23 H new ATOM 0 HE3 LYS A 53 -3.270 1.304 -17.527 1.00 45.23 H new ATOM 0 HZ1 LYS A 53 -5.462 0.824 -17.407 1.00 70.30 H new ATOM 0 HZ2 LYS A 53 -5.314 1.526 -15.868 1.00 70.30 H new ATOM 0 HZ3 LYS A 53 -5.939 2.435 -17.159 1.00 70.30 H new ATOM 719 N SER A 54 2.374 2.373 -16.931 1.00 65.11 N ATOM 720 CA SER A 54 3.633 2.948 -17.391 1.00 51.41 C ATOM 721 C SER A 54 4.365 1.983 -18.318 1.00 23.33 C ATOM 722 O SER A 54 4.851 2.372 -19.379 1.00 64.01 O ATOM 723 CB SER A 54 4.523 3.302 -16.198 1.00 13.11 C ATOM 724 OG SER A 54 4.226 4.598 -15.706 1.00 74.45 O ATOM 0 H SER A 54 2.381 2.066 -15.958 1.00 65.11 H new ATOM 0 HA SER A 54 3.406 3.857 -17.948 1.00 51.41 H new ATOM 0 HB2 SER A 54 4.382 2.568 -15.405 1.00 13.11 H new ATOM 0 HB3 SER A 54 5.571 3.254 -16.495 1.00 13.11 H new ATOM 0 HG SER A 54 4.807 4.799 -14.943 1.00 74.45 H new ATOM 730 N ALA A 55 4.440 0.721 -17.907 1.00 71.24 N ATOM 731 CA ALA A 55 5.111 -0.302 -18.700 1.00 53.13 C ATOM 732 C ALA A 55 4.364 -0.564 -20.004 1.00 14.23 C ATOM 733 O ALA A 55 4.902 -1.173 -20.927 1.00 63.40 O ATOM 734 CB ALA A 55 5.244 -1.588 -17.899 1.00 22.14 C ATOM 0 H ALA A 55 4.044 0.383 -17.030 1.00 71.24 H new ATOM 0 HA ALA A 55 6.107 0.063 -18.949 1.00 53.13 H new ATOM 0 HB1 ALA A 55 5.747 -2.343 -18.504 1.00 22.14 H new ATOM 0 HB2 ALA A 55 5.827 -1.397 -16.998 1.00 22.14 H new ATOM 0 HB3 ALA A 55 4.253 -1.947 -17.620 1.00 22.14 H new ATOM 740 N ALA A 56 3.120 -0.100 -20.071 1.00 41.31 N ATOM 741 CA ALA A 56 2.300 -0.283 -21.262 1.00 51.11 C ATOM 742 C ALA A 56 2.575 0.808 -22.291 1.00 63.14 C ATOM 743 O ALA A 56 2.427 0.592 -23.493 1.00 54.55 O ATOM 744 CB ALA A 56 0.825 -0.300 -20.890 1.00 12.45 C ATOM 0 H ALA A 56 2.659 0.405 -19.315 1.00 41.31 H new ATOM 0 HA ALA A 56 2.562 -1.242 -21.709 1.00 51.11 H new ATOM 0 HB1 ALA A 56 0.225 -0.437 -21.789 1.00 12.45 H new ATOM 0 HB2 ALA A 56 0.634 -1.120 -20.197 1.00 12.45 H new ATOM 0 HB3 ALA A 56 0.558 0.645 -20.416 1.00 12.45 H new ATOM 750 N GLY A 57 2.977 1.981 -21.811 1.00 61.11 N ATOM 751 CA GLY A 57 3.266 3.088 -22.703 1.00 51.35 C ATOM 752 C GLY A 57 4.446 2.808 -23.613 1.00 33.33 C ATOM 753 O GLY A 57 4.566 3.399 -24.686 1.00 34.03 O ATOM 0 H GLY A 57 3.108 2.184 -20.820 1.00 61.11 H new ATOM 0 HA2 GLY A 57 2.386 3.301 -23.310 1.00 51.35 H new ATOM 0 HA3 GLY A 57 3.470 3.982 -22.113 1.00 51.35 H new ATOM 757 N SER A 58 5.321 1.904 -23.183 1.00 14.13 N ATOM 758 CA SER A 58 6.500 1.550 -23.963 1.00 43.44 C ATOM 759 C SER A 58 6.197 0.395 -24.912 1.00 64.42 C ATOM 760 O SER A 58 7.086 -0.105 -25.602 1.00 64.51 O ATOM 761 CB SER A 58 7.657 1.174 -23.036 1.00 65.01 C ATOM 762 OG SER A 58 7.751 2.075 -21.946 1.00 62.40 O ATOM 0 H SER A 58 5.235 1.404 -22.298 1.00 14.13 H new ATOM 0 HA SER A 58 6.787 2.418 -24.556 1.00 43.44 H new ATOM 0 HB2 SER A 58 7.513 0.160 -22.662 1.00 65.01 H new ATOM 0 HB3 SER A 58 8.592 1.177 -23.596 1.00 65.01 H new ATOM 0 HG SER A 58 8.497 1.812 -21.368 1.00 62.40 H new ATOM 768 N ILE A 59 4.937 -0.024 -24.941 1.00 32.24 N ATOM 769 CA ILE A 59 4.516 -1.120 -25.805 1.00 13.22 C ATOM 770 C ILE A 59 3.715 -0.604 -26.996 1.00 65.00 C ATOM 771 O ILE A 59 2.781 0.183 -26.838 1.00 23.44 O ATOM 772 CB ILE A 59 3.665 -2.148 -25.036 1.00 63.31 C ATOM 773 CG1 ILE A 59 4.239 -2.372 -23.635 1.00 51.23 C ATOM 774 CG2 ILE A 59 3.600 -3.461 -25.803 1.00 52.41 C ATOM 775 CD1 ILE A 59 3.471 -3.391 -22.823 1.00 54.22 C ATOM 0 H ILE A 59 4.189 0.379 -24.376 1.00 32.24 H new ATOM 0 HA ILE A 59 5.423 -1.606 -26.163 1.00 13.22 H new ATOM 0 HB ILE A 59 2.652 -1.757 -24.935 1.00 63.31 H new ATOM 0 HG12 ILE A 59 5.276 -2.697 -23.724 1.00 51.23 H new ATOM 0 HG13 ILE A 59 4.247 -1.423 -23.098 1.00 51.23 H new ATOM 0 HG21 ILE A 59 2.995 -4.178 -25.247 1.00 52.41 H new ATOM 0 HG22 ILE A 59 3.151 -3.289 -26.781 1.00 52.41 H new ATOM 0 HG23 ILE A 59 4.607 -3.858 -25.931 1.00 52.41 H new ATOM 0 HD11 ILE A 59 3.934 -3.498 -21.842 1.00 54.22 H new ATOM 0 HD12 ILE A 59 2.440 -3.058 -22.703 1.00 54.22 H new ATOM 0 HD13 ILE A 59 3.485 -4.352 -23.338 1.00 54.22 H new ATOM 787 N THR A 60 4.087 -1.054 -28.191 1.00 13.32 N ATOM 788 CA THR A 60 3.404 -0.639 -29.410 1.00 13.24 C ATOM 789 C THR A 60 2.386 -1.684 -29.853 1.00 5.01 C ATOM 790 O THR A 60 1.383 -1.359 -30.488 1.00 41.01 O ATOM 791 CB THR A 60 4.402 -0.392 -30.557 1.00 12.55 C ATOM 792 OG1 THR A 60 3.782 0.388 -31.586 1.00 22.23 O ATOM 793 CG2 THR A 60 4.895 -1.708 -31.138 1.00 1.12 C ATOM 0 H THR A 60 4.857 -1.706 -28.340 1.00 13.32 H new ATOM 0 HA THR A 60 2.887 0.293 -29.181 1.00 13.24 H new ATOM 0 HB THR A 60 5.257 0.152 -30.155 1.00 12.55 H new ATOM 0 HG1 THR A 60 4.423 0.542 -32.311 1.00 22.23 H new ATOM 0 HG21 THR A 60 5.598 -1.508 -31.946 1.00 1.12 H new ATOM 0 HG22 THR A 60 5.392 -2.286 -30.359 1.00 1.12 H new ATOM 0 HG23 THR A 60 4.048 -2.274 -31.526 1.00 1.12 H new ATOM 801 N LYS A 61 2.651 -2.941 -29.514 1.00 32.23 N ATOM 802 CA LYS A 61 1.758 -4.036 -29.875 1.00 15.53 C ATOM 803 C LYS A 61 0.738 -4.293 -28.770 1.00 11.42 C ATOM 804 O LYS A 61 0.066 -5.325 -28.759 1.00 51.10 O ATOM 805 CB LYS A 61 2.562 -5.309 -30.148 1.00 14.34 C ATOM 806 CG LYS A 61 3.418 -5.230 -31.399 1.00 64.53 C ATOM 807 CD LYS A 61 4.495 -6.302 -31.406 1.00 23.42 C ATOM 808 CE LYS A 61 5.241 -6.336 -32.731 1.00 53.33 C ATOM 809 NZ LYS A 61 5.940 -7.634 -32.942 1.00 53.51 N ATOM 0 H LYS A 61 3.478 -3.227 -28.989 1.00 32.23 H new ATOM 0 HA LYS A 61 1.222 -3.751 -30.781 1.00 15.53 H new ATOM 0 HB2 LYS A 61 3.204 -5.514 -29.291 1.00 14.34 H new ATOM 0 HB3 LYS A 61 1.875 -6.150 -30.240 1.00 14.34 H new ATOM 0 HG2 LYS A 61 2.787 -5.341 -32.281 1.00 64.53 H new ATOM 0 HG3 LYS A 61 3.882 -4.246 -31.462 1.00 64.53 H new ATOM 0 HD2 LYS A 61 5.200 -6.116 -30.595 1.00 23.42 H new ATOM 0 HD3 LYS A 61 4.042 -7.275 -31.218 1.00 23.42 H new ATOM 0 HE2 LYS A 61 4.539 -6.165 -33.547 1.00 53.33 H new ATOM 0 HE3 LYS A 61 5.967 -5.524 -32.760 1.00 53.33 H new ATOM 0 HZ1 LYS A 61 6.436 -7.617 -33.856 1.00 53.51 H new ATOM 0 HZ2 LYS A 61 6.628 -7.786 -32.177 1.00 53.51 H new ATOM 0 HZ3 LYS A 61 5.244 -8.407 -32.940 1.00 53.51 H new ATOM 823 N LEU A 62 0.626 -3.348 -27.843 1.00 3.13 N ATOM 824 CA LEU A 62 -0.313 -3.471 -26.734 1.00 33.44 C ATOM 825 C LEU A 62 -1.754 -3.449 -27.235 1.00 64.31 C ATOM 826 O LEU A 62 -2.167 -2.518 -27.924 1.00 11.30 O ATOM 827 CB LEU A 62 -0.095 -2.341 -25.726 1.00 22.51 C ATOM 828 CG LEU A 62 -1.110 -2.253 -24.586 1.00 21.22 C ATOM 829 CD1 LEU A 62 -0.819 -3.308 -23.529 1.00 52.14 C ATOM 830 CD2 LEU A 62 -1.100 -0.862 -23.970 1.00 14.22 C ATOM 0 H LEU A 62 1.174 -2.488 -27.838 1.00 3.13 H new ATOM 0 HA LEU A 62 -0.132 -4.427 -26.243 1.00 33.44 H new ATOM 0 HB2 LEU A 62 0.899 -2.454 -25.293 1.00 22.51 H new ATOM 0 HB3 LEU A 62 -0.102 -1.394 -26.265 1.00 22.51 H new ATOM 0 HG LEU A 62 -2.103 -2.441 -24.994 1.00 21.22 H new ATOM 0 HD11 LEU A 62 -1.552 -3.230 -22.726 1.00 52.14 H new ATOM 0 HD12 LEU A 62 -0.878 -4.299 -23.979 1.00 52.14 H new ATOM 0 HD13 LEU A 62 0.181 -3.152 -23.125 1.00 52.14 H new ATOM 0 HD21 LEU A 62 -1.828 -0.817 -23.160 1.00 14.22 H new ATOM 0 HD22 LEU A 62 -0.107 -0.645 -23.577 1.00 14.22 H new ATOM 0 HD23 LEU A 62 -1.358 -0.125 -24.731 1.00 14.22 H new ATOM 842 N ASN A 63 -2.513 -4.481 -26.883 1.00 35.34 N ATOM 843 CA ASN A 63 -3.909 -4.579 -27.296 1.00 23.53 C ATOM 844 C ASN A 63 -4.844 -4.276 -26.129 1.00 70.12 C ATOM 845 O ASN A 63 -5.208 -5.168 -25.362 1.00 13.10 O ATOM 846 CB ASN A 63 -4.201 -5.976 -27.849 1.00 14.31 C ATOM 847 CG ASN A 63 -3.534 -6.218 -29.189 1.00 75.11 C ATOM 848 OD1 ASN A 63 -2.309 -6.182 -29.301 1.00 20.13 O ATOM 849 ND2 ASN A 63 -4.341 -6.466 -30.215 1.00 23.54 N ATOM 0 H ASN A 63 -2.186 -5.261 -26.313 1.00 35.34 H new ATOM 0 HA ASN A 63 -4.084 -3.841 -28.079 1.00 23.53 H new ATOM 0 HB2 ASN A 63 -3.859 -6.725 -27.135 1.00 14.31 H new ATOM 0 HB3 ASN A 63 -5.278 -6.104 -27.954 1.00 14.31 H new ATOM 0 HD21 ASN A 63 -3.950 -6.636 -31.142 1.00 23.54 H new ATOM 0 HD22 ASN A 63 -5.351 -6.486 -30.076 1.00 23.54 H new ATOM 856 N THR A 64 -5.231 -3.010 -26.001 1.00 64.43 N ATOM 857 CA THR A 64 -6.123 -2.588 -24.929 1.00 23.40 C ATOM 858 C THR A 64 -7.368 -3.466 -24.872 1.00 50.25 C ATOM 859 O THR A 64 -7.959 -3.652 -23.810 1.00 74.40 O ATOM 860 CB THR A 64 -6.551 -1.119 -25.100 1.00 53.24 C ATOM 861 OG1 THR A 64 -7.312 -0.968 -26.304 1.00 14.30 O ATOM 862 CG2 THR A 64 -5.338 -0.203 -25.143 1.00 43.34 C ATOM 0 H THR A 64 -4.940 -2.259 -26.627 1.00 64.43 H new ATOM 0 HA THR A 64 -5.567 -2.690 -23.997 1.00 23.40 H new ATOM 0 HB THR A 64 -7.166 -0.841 -24.244 1.00 53.24 H new ATOM 0 HG1 THR A 64 -7.582 -0.031 -26.405 1.00 14.30 H new ATOM 0 HG21 THR A 64 -5.666 0.829 -25.264 1.00 43.34 H new ATOM 0 HG22 THR A 64 -4.777 -0.299 -24.214 1.00 43.34 H new ATOM 0 HG23 THR A 64 -4.701 -0.482 -25.982 1.00 43.34 H new ATOM 870 N ASN A 65 -7.761 -4.003 -26.023 1.00 43.31 N ATOM 871 CA ASN A 65 -8.937 -4.861 -26.104 1.00 23.41 C ATOM 872 C ASN A 65 -8.730 -6.144 -25.304 1.00 63.12 C ATOM 873 O ASN A 65 -9.630 -6.602 -24.603 1.00 34.33 O ATOM 874 CB ASN A 65 -9.246 -5.201 -27.563 1.00 74.42 C ATOM 875 CG ASN A 65 -10.192 -4.202 -28.201 1.00 72.34 C ATOM 876 OD1 ASN A 65 -9.841 -3.039 -28.402 1.00 74.52 O ATOM 877 ND2 ASN A 65 -11.399 -4.653 -28.523 1.00 53.22 N ATOM 0 H ASN A 65 -7.282 -3.859 -26.912 1.00 43.31 H new ATOM 0 HA ASN A 65 -9.781 -4.320 -25.677 1.00 23.41 H new ATOM 0 HB2 ASN A 65 -8.316 -5.231 -28.131 1.00 74.42 H new ATOM 0 HB3 ASN A 65 -9.684 -6.198 -27.616 1.00 74.42 H new ATOM 0 HD21 ASN A 65 -12.079 -4.027 -28.955 1.00 53.22 H new ATOM 0 HD22 ASN A 65 -11.646 -5.625 -28.338 1.00 53.22 H new ATOM 884 N ASN A 66 -7.536 -6.718 -25.415 1.00 71.13 N ATOM 885 CA ASN A 66 -7.210 -7.948 -24.703 1.00 32.13 C ATOM 886 C ASN A 66 -6.963 -7.670 -23.223 1.00 62.20 C ATOM 887 O ASN A 66 -7.054 -8.570 -22.388 1.00 53.24 O ATOM 888 CB ASN A 66 -5.977 -8.610 -25.322 1.00 13.51 C ATOM 889 CG ASN A 66 -6.155 -8.892 -26.801 1.00 65.33 C ATOM 890 OD1 ASN A 66 -6.470 -7.995 -27.583 1.00 12.13 O ATOM 891 ND2 ASN A 66 -5.952 -10.145 -27.192 1.00 62.04 N ATOM 0 H ASN A 66 -6.779 -6.351 -25.991 1.00 71.13 H new ATOM 0 HA ASN A 66 -8.060 -8.625 -24.791 1.00 32.13 H new ATOM 0 HB2 ASN A 66 -5.111 -7.964 -25.180 1.00 13.51 H new ATOM 0 HB3 ASN A 66 -5.768 -9.543 -24.799 1.00 13.51 H new ATOM 0 HD21 ASN A 66 -6.056 -10.396 -28.175 1.00 62.04 H new ATOM 0 HD22 ASN A 66 -5.692 -10.857 -26.509 1.00 62.04 H new ATOM 898 N ALA A 67 -6.650 -6.418 -22.906 1.00 64.20 N ATOM 899 CA ALA A 67 -6.392 -6.021 -21.528 1.00 2.25 C ATOM 900 C ALA A 67 -7.685 -5.962 -20.722 1.00 53.21 C ATOM 901 O ALA A 67 -7.711 -6.319 -19.545 1.00 34.01 O ATOM 902 CB ALA A 67 -5.683 -4.675 -21.490 1.00 25.30 C ATOM 0 H ALA A 67 -6.569 -5.661 -23.585 1.00 64.20 H new ATOM 0 HA ALA A 67 -5.746 -6.773 -21.075 1.00 2.25 H new ATOM 0 HB1 ALA A 67 -5.497 -4.391 -20.454 1.00 25.30 H new ATOM 0 HB2 ALA A 67 -4.735 -4.748 -22.022 1.00 25.30 H new ATOM 0 HB3 ALA A 67 -6.309 -3.920 -21.966 1.00 25.30 H new ATOM 908 N ALA A 68 -8.757 -5.508 -21.364 1.00 44.14 N ATOM 909 CA ALA A 68 -10.054 -5.403 -20.708 1.00 23.42 C ATOM 910 C ALA A 68 -10.715 -6.771 -20.577 1.00 63.41 C ATOM 911 O ALA A 68 -11.372 -7.061 -19.578 1.00 12.41 O ATOM 912 CB ALA A 68 -10.958 -4.449 -21.474 1.00 61.30 C ATOM 0 H ALA A 68 -8.752 -5.207 -22.339 1.00 44.14 H new ATOM 0 HA ALA A 68 -9.895 -5.008 -19.705 1.00 23.42 H new ATOM 0 HB1 ALA A 68 -11.923 -4.381 -20.972 1.00 61.30 H new ATOM 0 HB2 ALA A 68 -10.497 -3.462 -21.511 1.00 61.30 H new ATOM 0 HB3 ALA A 68 -11.102 -4.820 -22.489 1.00 61.30 H new ATOM 918 N ALA A 69 -10.536 -7.609 -21.593 1.00 72.13 N ATOM 919 CA ALA A 69 -11.114 -8.947 -21.591 1.00 34.22 C ATOM 920 C ALA A 69 -10.200 -9.939 -20.880 1.00 11.03 C ATOM 921 O ALA A 69 -10.603 -11.062 -20.575 1.00 32.32 O ATOM 922 CB ALA A 69 -11.388 -9.406 -23.015 1.00 72.43 C ATOM 0 H ALA A 69 -9.995 -7.385 -22.428 1.00 72.13 H new ATOM 0 HA ALA A 69 -12.057 -8.907 -21.046 1.00 34.22 H new ATOM 0 HB1 ALA A 69 -11.819 -10.407 -22.998 1.00 72.43 H new ATOM 0 HB2 ALA A 69 -12.086 -8.718 -23.491 1.00 72.43 H new ATOM 0 HB3 ALA A 69 -10.455 -9.423 -23.578 1.00 72.43 H new ATOM 928 N LEU A 70 -8.968 -9.518 -20.619 1.00 5.13 N ATOM 929 CA LEU A 70 -7.995 -10.370 -19.944 1.00 2.15 C ATOM 930 C LEU A 70 -8.540 -10.866 -18.608 1.00 3.00 C ATOM 931 O LEU A 70 -8.660 -12.067 -18.366 1.00 75.24 O ATOM 932 CB LEU A 70 -6.687 -9.608 -19.722 1.00 62.34 C ATOM 933 CG LEU A 70 -5.864 -10.027 -18.503 1.00 53.41 C ATOM 934 CD1 LEU A 70 -5.472 -11.493 -18.601 1.00 53.32 C ATOM 935 CD2 LEU A 70 -4.628 -9.150 -18.368 1.00 1.14 C ATOM 0 H LEU A 70 -8.619 -8.592 -20.864 1.00 5.13 H new ATOM 0 HA LEU A 70 -7.802 -11.233 -20.581 1.00 2.15 H new ATOM 0 HB2 LEU A 70 -6.067 -9.724 -20.611 1.00 62.34 H new ATOM 0 HB3 LEU A 70 -6.919 -8.547 -19.631 1.00 62.34 H new ATOM 0 HG LEU A 70 -6.478 -9.896 -17.612 1.00 53.41 H new ATOM 0 HD11 LEU A 70 -4.887 -11.773 -17.725 1.00 53.32 H new ATOM 0 HD12 LEU A 70 -6.371 -12.108 -18.648 1.00 53.32 H new ATOM 0 HD13 LEU A 70 -4.877 -11.651 -19.500 1.00 53.32 H new ATOM 0 HD21 LEU A 70 -4.054 -9.462 -17.495 1.00 1.14 H new ATOM 0 HD22 LEU A 70 -4.012 -9.249 -19.262 1.00 1.14 H new ATOM 0 HD23 LEU A 70 -4.931 -8.110 -18.250 1.00 1.14 H new ATOM 947 N PRO A 71 -8.879 -9.920 -17.719 1.00 71.52 N ATOM 948 CA PRO A 71 -9.420 -10.237 -16.394 1.00 24.31 C ATOM 949 C PRO A 71 -10.829 -10.814 -16.466 1.00 32.44 C ATOM 950 O PRO A 71 -11.251 -11.559 -15.582 1.00 33.01 O ATOM 951 CB PRO A 71 -9.432 -8.882 -15.683 1.00 12.13 C ATOM 952 CG PRO A 71 -9.516 -7.879 -16.781 1.00 11.33 C ATOM 953 CD PRO A 71 -8.762 -8.469 -17.940 1.00 22.32 C ATOM 0 HA PRO A 71 -8.828 -10.997 -15.883 1.00 24.31 H new ATOM 0 HB2 PRO A 71 -10.281 -8.798 -15.005 1.00 12.13 H new ATOM 0 HB3 PRO A 71 -8.531 -8.740 -15.085 1.00 12.13 H new ATOM 0 HG2 PRO A 71 -10.554 -7.682 -17.050 1.00 11.33 H new ATOM 0 HG3 PRO A 71 -9.080 -6.928 -16.475 1.00 11.33 H new ATOM 0 HD2 PRO A 71 -9.196 -8.172 -18.895 1.00 22.32 H new ATOM 0 HD3 PRO A 71 -7.721 -8.146 -17.948 1.00 22.32 H new ATOM 961 N GLY A 72 -11.554 -10.466 -17.525 1.00 4.32 N ATOM 962 CA GLY A 72 -12.908 -10.959 -17.692 1.00 12.31 C ATOM 963 C GLY A 72 -12.948 -12.424 -18.076 1.00 75.43 C ATOM 964 O GLY A 72 -13.618 -13.227 -17.426 1.00 12.13 O ATOM 0 H GLY A 72 -11.227 -9.851 -18.270 1.00 4.32 H new ATOM 0 HA2 GLY A 72 -13.461 -10.815 -16.764 1.00 12.31 H new ATOM 0 HA3 GLY A 72 -13.413 -10.372 -18.459 1.00 12.31 H new ATOM 968 N LYS A 73 -12.231 -12.776 -19.138 1.00 40.10 N ATOM 969 CA LYS A 73 -12.187 -14.155 -19.610 1.00 2.22 C ATOM 970 C LYS A 73 -11.616 -15.078 -18.539 1.00 24.34 C ATOM 971 O LYS A 73 -11.825 -16.291 -18.574 1.00 64.35 O ATOM 972 CB LYS A 73 -11.345 -14.253 -20.884 1.00 52.32 C ATOM 973 CG LYS A 73 -12.142 -14.030 -22.158 1.00 31.20 C ATOM 974 CD LYS A 73 -11.986 -12.609 -22.673 1.00 24.05 C ATOM 975 CE LYS A 73 -12.699 -12.416 -24.002 1.00 15.34 C ATOM 976 NZ LYS A 73 -14.107 -12.900 -23.951 1.00 1.52 N ATOM 0 H LYS A 73 -11.672 -12.124 -19.689 1.00 40.10 H new ATOM 0 HA LYS A 73 -13.207 -14.470 -19.831 1.00 2.22 H new ATOM 0 HB2 LYS A 73 -10.541 -13.519 -20.835 1.00 52.32 H new ATOM 0 HB3 LYS A 73 -10.877 -15.237 -20.926 1.00 52.32 H new ATOM 0 HG2 LYS A 73 -11.812 -14.733 -22.923 1.00 31.20 H new ATOM 0 HG3 LYS A 73 -13.196 -14.236 -21.970 1.00 31.20 H new ATOM 0 HD2 LYS A 73 -12.386 -11.909 -21.939 1.00 24.05 H new ATOM 0 HD3 LYS A 73 -10.927 -12.378 -22.790 1.00 24.05 H new ATOM 0 HE2 LYS A 73 -12.687 -11.360 -24.270 1.00 15.34 H new ATOM 0 HE3 LYS A 73 -12.160 -12.950 -24.785 1.00 15.34 H new ATOM 0 HZ1 LYS A 73 -14.618 -12.572 -24.795 1.00 1.52 H new ATOM 0 HZ2 LYS A 73 -14.116 -13.940 -23.923 1.00 1.52 H new ATOM 0 HZ3 LYS A 73 -14.572 -12.527 -23.099 1.00 1.52 H new ATOM 990 N CYS A 74 -10.895 -14.497 -17.586 1.00 0.15 N ATOM 991 CA CYS A 74 -10.294 -15.267 -16.503 1.00 54.10 C ATOM 992 C CYS A 74 -11.234 -15.343 -15.303 1.00 51.31 C ATOM 993 O CYS A 74 -10.818 -15.681 -14.196 1.00 0.43 O ATOM 994 CB CYS A 74 -8.962 -14.642 -16.083 1.00 34.40 C ATOM 995 SG CYS A 74 -7.641 -14.803 -17.327 1.00 0.23 S ATOM 0 H CYS A 74 -10.712 -13.494 -17.542 1.00 0.15 H new ATOM 0 HA CYS A 74 -10.114 -16.279 -16.866 1.00 54.10 H new ATOM 0 HB2 CYS A 74 -9.120 -13.585 -15.871 1.00 34.40 H new ATOM 0 HB3 CYS A 74 -8.631 -15.107 -15.155 1.00 34.40 H new ATOM 1000 N GLY A 75 -12.505 -15.026 -15.532 1.00 41.34 N ATOM 1001 CA GLY A 75 -13.484 -15.064 -14.462 1.00 21.22 C ATOM 1002 C GLY A 75 -13.084 -14.205 -13.279 1.00 25.01 C ATOM 1003 O GLY A 75 -12.746 -14.721 -12.213 1.00 73.13 O ATOM 0 H GLY A 75 -12.874 -14.743 -16.440 1.00 41.34 H new ATOM 0 HA2 GLY A 75 -14.448 -14.726 -14.843 1.00 21.22 H new ATOM 0 HA3 GLY A 75 -13.616 -16.094 -14.131 1.00 21.22 H new ATOM 1007 N VAL A 76 -13.119 -12.889 -13.466 1.00 63.51 N ATOM 1008 CA VAL A 76 -12.756 -11.956 -12.406 1.00 71.50 C ATOM 1009 C VAL A 76 -13.763 -10.816 -12.309 1.00 73.13 C ATOM 1010 O VAL A 76 -14.326 -10.385 -13.314 1.00 75.15 O ATOM 1011 CB VAL A 76 -11.351 -11.368 -12.633 1.00 0.22 C ATOM 1012 CG1 VAL A 76 -10.892 -10.594 -11.406 1.00 65.43 C ATOM 1013 CG2 VAL A 76 -10.362 -12.470 -12.980 1.00 23.13 C ATOM 0 H VAL A 76 -13.395 -12.445 -14.342 1.00 63.51 H new ATOM 0 HA VAL A 76 -12.759 -12.520 -11.473 1.00 71.50 H new ATOM 0 HB VAL A 76 -11.397 -10.676 -13.474 1.00 0.22 H new ATOM 0 HG11 VAL A 76 -9.897 -10.186 -11.584 1.00 65.43 H new ATOM 0 HG12 VAL A 76 -11.589 -9.779 -11.208 1.00 65.43 H new ATOM 0 HG13 VAL A 76 -10.861 -11.262 -10.545 1.00 65.43 H new ATOM 0 HG21 VAL A 76 -9.374 -12.036 -13.137 1.00 23.13 H new ATOM 0 HG22 VAL A 76 -10.317 -13.189 -12.162 1.00 23.13 H new ATOM 0 HG23 VAL A 76 -10.685 -12.976 -13.890 1.00 23.13 H new ATOM 1023 N ASN A 77 -13.985 -10.331 -11.092 1.00 21.32 N ATOM 1024 CA ASN A 77 -14.925 -9.240 -10.863 1.00 60.00 C ATOM 1025 C ASN A 77 -14.228 -7.888 -10.981 1.00 0.04 C ATOM 1026 O ASN A 77 -13.363 -7.552 -10.171 1.00 63.14 O ATOM 1027 CB ASN A 77 -15.570 -9.376 -9.482 1.00 42.42 C ATOM 1028 CG ASN A 77 -16.383 -10.648 -9.346 1.00 74.25 C ATOM 1029 OD1 ASN A 77 -15.831 -11.742 -9.229 1.00 43.02 O ATOM 1030 ND2 ASN A 77 -17.704 -10.510 -9.362 1.00 71.31 N ATOM 0 H ASN A 77 -13.527 -10.676 -10.249 1.00 21.32 H new ATOM 0 HA ASN A 77 -15.701 -9.296 -11.626 1.00 60.00 H new ATOM 0 HB2 ASN A 77 -14.793 -9.362 -8.718 1.00 42.42 H new ATOM 0 HB3 ASN A 77 -16.213 -8.516 -9.298 1.00 42.42 H new ATOM 0 HD21 ASN A 77 -18.304 -11.331 -9.275 1.00 71.31 H new ATOM 0 HD22 ASN A 77 -18.119 -9.583 -9.461 1.00 71.31 H new ATOM 1037 N ILE A 78 -14.611 -7.117 -11.993 1.00 13.04 N ATOM 1038 CA ILE A 78 -14.025 -5.801 -12.215 1.00 24.33 C ATOM 1039 C ILE A 78 -15.027 -4.855 -12.867 1.00 33.24 C ATOM 1040 O ILE A 78 -15.039 -4.665 -14.083 1.00 23.00 O ATOM 1041 CB ILE A 78 -12.767 -5.888 -13.100 1.00 11.24 C ATOM 1042 CG1 ILE A 78 -11.732 -6.818 -12.464 1.00 34.52 C ATOM 1043 CG2 ILE A 78 -12.178 -4.503 -13.319 1.00 5.50 C ATOM 1044 CD1 ILE A 78 -10.453 -6.934 -13.262 1.00 24.32 C ATOM 0 H ILE A 78 -15.325 -7.381 -12.672 1.00 13.04 H new ATOM 0 HA ILE A 78 -13.745 -5.411 -11.236 1.00 24.33 H new ATOM 0 HB ILE A 78 -13.050 -6.299 -14.069 1.00 11.24 H new ATOM 0 HG12 ILE A 78 -11.495 -6.455 -11.464 1.00 34.52 H new ATOM 0 HG13 ILE A 78 -12.169 -7.810 -12.348 1.00 34.52 H new ATOM 0 HG21 ILE A 78 -11.290 -4.580 -13.946 1.00 5.50 H new ATOM 0 HG22 ILE A 78 -12.915 -3.868 -13.810 1.00 5.50 H new ATOM 0 HG23 ILE A 78 -11.907 -4.067 -12.358 1.00 5.50 H new ATOM 0 HD11 ILE A 78 -9.766 -7.609 -12.752 1.00 24.32 H new ATOM 0 HD12 ILE A 78 -10.677 -7.326 -14.254 1.00 24.32 H new ATOM 0 HD13 ILE A 78 -9.993 -5.951 -13.356 1.00 24.32 H new ATOM 1056 N PRO A 79 -15.889 -4.245 -12.040 1.00 34.43 N ATOM 1057 CA PRO A 79 -16.911 -3.306 -12.513 1.00 62.40 C ATOM 1058 C PRO A 79 -16.308 -1.996 -13.009 1.00 75.54 C ATOM 1059 O PRO A 79 -17.012 -1.147 -13.557 1.00 45.02 O ATOM 1060 CB PRO A 79 -17.771 -3.062 -11.271 1.00 33.52 C ATOM 1061 CG PRO A 79 -16.864 -3.336 -10.122 1.00 4.15 C ATOM 1062 CD PRO A 79 -15.933 -4.425 -10.579 1.00 31.12 C ATOM 0 HA PRO A 79 -17.468 -3.703 -13.362 1.00 62.40 H new ATOM 0 HB2 PRO A 79 -18.146 -2.039 -11.244 1.00 33.52 H new ATOM 0 HB3 PRO A 79 -18.640 -3.720 -11.255 1.00 33.52 H new ATOM 0 HG2 PRO A 79 -16.309 -2.441 -9.841 1.00 4.15 H new ATOM 0 HG3 PRO A 79 -17.430 -3.649 -9.244 1.00 4.15 H new ATOM 0 HD2 PRO A 79 -14.944 -4.323 -10.132 1.00 31.12 H new ATOM 0 HD3 PRO A 79 -16.305 -5.413 -10.307 1.00 31.12 H new ATOM 1070 N TYR A 80 -15.004 -1.839 -12.815 1.00 21.51 N ATOM 1071 CA TYR A 80 -14.307 -0.632 -13.241 1.00 55.44 C ATOM 1072 C TYR A 80 -14.128 -0.613 -14.756 1.00 44.53 C ATOM 1073 O TYR A 80 -13.668 -1.587 -15.352 1.00 23.24 O ATOM 1074 CB TYR A 80 -12.945 -0.534 -12.554 1.00 2.54 C ATOM 1075 CG TYR A 80 -13.009 0.062 -11.165 1.00 43.34 C ATOM 1076 CD1 TYR A 80 -13.288 -0.732 -10.060 1.00 10.43 C ATOM 1077 CD2 TYR A 80 -12.791 1.419 -10.959 1.00 63.14 C ATOM 1078 CE1 TYR A 80 -13.348 -0.192 -8.790 1.00 12.45 C ATOM 1079 CE2 TYR A 80 -12.847 1.967 -9.693 1.00 14.22 C ATOM 1080 CZ TYR A 80 -13.127 1.158 -8.611 1.00 44.12 C ATOM 1081 OH TYR A 80 -13.185 1.701 -7.348 1.00 33.30 O ATOM 0 H TYR A 80 -14.408 -2.533 -12.365 1.00 21.51 H new ATOM 0 HA TYR A 80 -14.913 0.227 -12.954 1.00 55.44 H new ATOM 0 HB2 TYR A 80 -12.506 -1.530 -12.493 1.00 2.54 H new ATOM 0 HB3 TYR A 80 -12.280 0.071 -13.170 1.00 2.54 H new ATOM 0 HD1 TYR A 80 -13.461 -1.789 -10.196 1.00 10.43 H new ATOM 0 HD2 TYR A 80 -12.574 2.056 -11.804 1.00 63.14 H new ATOM 0 HE1 TYR A 80 -13.567 -0.823 -7.942 1.00 12.45 H new ATOM 0 HE2 TYR A 80 -12.673 3.023 -9.550 1.00 14.22 H new ATOM 0 HH TYR A 80 -13.005 2.663 -7.397 1.00 33.30 H new ATOM 1091 N LYS A 81 -14.493 0.505 -15.375 1.00 13.12 N ATOM 1092 CA LYS A 81 -14.372 0.655 -16.820 1.00 42.30 C ATOM 1093 C LYS A 81 -12.909 0.621 -17.249 1.00 45.24 C ATOM 1094 O LYS A 81 -12.204 1.628 -17.166 1.00 21.45 O ATOM 1095 CB LYS A 81 -15.017 1.967 -17.273 1.00 62.02 C ATOM 1096 CG LYS A 81 -16.513 1.858 -17.512 1.00 1.42 C ATOM 1097 CD LYS A 81 -17.028 3.011 -18.357 1.00 41.13 C ATOM 1098 CE LYS A 81 -18.528 3.197 -18.192 1.00 75.42 C ATOM 1099 NZ LYS A 81 -18.953 4.589 -18.507 1.00 33.21 N ATOM 0 H LYS A 81 -14.875 1.321 -14.897 1.00 13.12 H new ATOM 0 HA LYS A 81 -14.891 -0.180 -17.292 1.00 42.30 H new ATOM 0 HB2 LYS A 81 -14.833 2.732 -16.519 1.00 62.02 H new ATOM 0 HB3 LYS A 81 -14.534 2.302 -18.191 1.00 62.02 H new ATOM 0 HG2 LYS A 81 -16.735 0.914 -18.009 1.00 1.42 H new ATOM 0 HG3 LYS A 81 -17.035 1.845 -16.555 1.00 1.42 H new ATOM 0 HD2 LYS A 81 -16.513 3.929 -18.074 1.00 41.13 H new ATOM 0 HD3 LYS A 81 -16.797 2.826 -19.406 1.00 41.13 H new ATOM 0 HE2 LYS A 81 -19.054 2.500 -18.845 1.00 75.42 H new ATOM 0 HE3 LYS A 81 -18.814 2.953 -17.169 1.00 75.42 H new ATOM 0 HZ1 LYS A 81 -19.982 4.674 -18.382 1.00 33.21 H new ATOM 0 HZ2 LYS A 81 -18.471 5.252 -17.868 1.00 33.21 H new ATOM 0 HZ3 LYS A 81 -18.704 4.814 -19.491 1.00 33.21 H new ATOM 1113 N ILE A 82 -12.459 -0.541 -17.710 1.00 62.12 N ATOM 1114 CA ILE A 82 -11.080 -0.704 -18.155 1.00 34.20 C ATOM 1115 C ILE A 82 -10.694 0.379 -19.156 1.00 2.42 C ATOM 1116 O ILE A 82 -11.077 0.325 -20.324 1.00 70.24 O ATOM 1117 CB ILE A 82 -10.856 -2.085 -18.799 1.00 31.34 C ATOM 1118 CG1 ILE A 82 -10.748 -3.164 -17.719 1.00 2.22 C ATOM 1119 CG2 ILE A 82 -9.606 -2.069 -19.666 1.00 12.22 C ATOM 1120 CD1 ILE A 82 -9.457 -3.103 -16.932 1.00 35.34 C ATOM 0 H ILE A 82 -13.029 -1.384 -17.785 1.00 62.12 H new ATOM 0 HA ILE A 82 -10.450 -0.618 -17.269 1.00 34.20 H new ATOM 0 HB ILE A 82 -11.711 -2.317 -19.434 1.00 31.34 H new ATOM 0 HG12 ILE A 82 -11.588 -3.064 -17.032 1.00 2.22 H new ATOM 0 HG13 ILE A 82 -10.833 -4.145 -18.187 1.00 2.22 H new ATOM 0 HG21 ILE A 82 -9.461 -3.052 -20.114 1.00 12.22 H new ATOM 0 HG22 ILE A 82 -9.719 -1.324 -20.454 1.00 12.22 H new ATOM 0 HG23 ILE A 82 -8.741 -1.819 -19.052 1.00 12.22 H new ATOM 0 HD11 ILE A 82 -9.449 -3.896 -16.184 1.00 35.34 H new ATOM 0 HD12 ILE A 82 -8.612 -3.233 -17.608 1.00 35.34 H new ATOM 0 HD13 ILE A 82 -9.379 -2.136 -16.435 1.00 35.34 H new ATOM 1132 N SER A 83 -9.931 1.363 -18.690 1.00 22.13 N ATOM 1133 CA SER A 83 -9.493 2.461 -19.543 1.00 53.24 C ATOM 1134 C SER A 83 -8.037 2.819 -19.264 1.00 44.03 C ATOM 1135 O SER A 83 -7.692 3.263 -18.168 1.00 72.33 O ATOM 1136 CB SER A 83 -10.382 3.688 -19.328 1.00 21.21 C ATOM 1137 OG SER A 83 -11.319 3.830 -20.381 1.00 73.31 O ATOM 0 H SER A 83 -9.603 1.422 -17.726 1.00 22.13 H new ATOM 0 HA SER A 83 -9.577 2.138 -20.581 1.00 53.24 H new ATOM 0 HB2 SER A 83 -10.909 3.597 -18.378 1.00 21.21 H new ATOM 0 HB3 SER A 83 -9.763 4.583 -19.265 1.00 21.21 H new ATOM 0 HG SER A 83 -11.876 4.620 -20.219 1.00 73.31 H new ATOM 1143 N THR A 84 -7.183 2.623 -20.265 1.00 34.21 N ATOM 1144 CA THR A 84 -5.764 2.923 -20.129 1.00 22.13 C ATOM 1145 C THR A 84 -5.539 4.406 -19.859 1.00 3.23 C ATOM 1146 O THR A 84 -4.461 4.813 -19.422 1.00 72.42 O ATOM 1147 CB THR A 84 -4.980 2.518 -21.392 1.00 33.04 C ATOM 1148 OG1 THR A 84 -5.494 3.216 -22.532 1.00 1.05 O ATOM 1149 CG2 THR A 84 -5.070 1.018 -21.626 1.00 73.44 C ATOM 0 H THR A 84 -7.451 2.258 -21.179 1.00 34.21 H new ATOM 0 HA THR A 84 -5.398 2.343 -19.282 1.00 22.13 H new ATOM 0 HB THR A 84 -3.933 2.785 -21.245 1.00 33.04 H new ATOM 0 HG1 THR A 84 -4.990 2.955 -23.330 1.00 1.05 H new ATOM 0 HG21 THR A 84 -4.509 0.755 -22.523 1.00 73.44 H new ATOM 0 HG22 THR A 84 -4.652 0.490 -20.769 1.00 73.44 H new ATOM 0 HG23 THR A 84 -6.114 0.732 -21.754 1.00 73.44 H new ATOM 1157 N THR A 85 -6.563 5.213 -20.120 1.00 62.33 N ATOM 1158 CA THR A 85 -6.476 6.652 -19.906 1.00 35.31 C ATOM 1159 C THR A 85 -6.993 7.034 -18.524 1.00 34.44 C ATOM 1160 O THR A 85 -6.875 8.184 -18.101 1.00 11.14 O ATOM 1161 CB THR A 85 -7.273 7.427 -20.972 1.00 14.32 C ATOM 1162 OG1 THR A 85 -7.107 8.836 -20.779 1.00 43.31 O ATOM 1163 CG2 THR A 85 -8.751 7.073 -20.907 1.00 33.31 C ATOM 0 H THR A 85 -7.462 4.894 -20.480 1.00 62.33 H new ATOM 0 HA THR A 85 -5.422 6.921 -19.984 1.00 35.31 H new ATOM 0 HB THR A 85 -6.891 7.147 -21.954 1.00 14.32 H new ATOM 0 HG1 THR A 85 -6.888 9.014 -19.841 1.00 43.31 H new ATOM 0 HG21 THR A 85 -9.293 7.633 -21.669 1.00 33.31 H new ATOM 0 HG22 THR A 85 -8.877 6.005 -21.083 1.00 33.31 H new ATOM 0 HG23 THR A 85 -9.143 7.328 -19.922 1.00 33.31 H new ATOM 1171 N THR A 86 -7.567 6.061 -17.822 1.00 0.03 N ATOM 1172 CA THR A 86 -8.102 6.296 -16.487 1.00 35.53 C ATOM 1173 C THR A 86 -6.985 6.387 -15.454 1.00 42.23 C ATOM 1174 O THR A 86 -5.993 5.664 -15.533 1.00 71.55 O ATOM 1175 CB THR A 86 -9.081 5.181 -16.070 1.00 63.00 C ATOM 1176 OG1 THR A 86 -10.246 5.215 -16.902 1.00 45.21 O ATOM 1177 CG2 THR A 86 -9.488 5.335 -14.612 1.00 43.34 C ATOM 0 H THR A 86 -7.673 5.103 -18.156 1.00 0.03 H new ATOM 0 HA THR A 86 -8.637 7.245 -16.524 1.00 35.53 H new ATOM 0 HB THR A 86 -8.577 4.222 -16.191 1.00 63.00 H new ATOM 0 HG1 THR A 86 -10.933 4.626 -16.527 1.00 45.21 H new ATOM 0 HG21 THR A 86 -10.179 4.537 -14.341 1.00 43.34 H new ATOM 0 HG22 THR A 86 -8.602 5.279 -13.979 1.00 43.34 H new ATOM 0 HG23 THR A 86 -9.975 6.300 -14.470 1.00 43.34 H new ATOM 1185 N ASN A 87 -7.152 7.281 -14.485 1.00 53.54 N ATOM 1186 CA ASN A 87 -6.156 7.467 -13.436 1.00 55.32 C ATOM 1187 C ASN A 87 -6.387 6.489 -12.288 1.00 43.22 C ATOM 1188 O ASN A 87 -7.197 6.742 -11.396 1.00 25.23 O ATOM 1189 CB ASN A 87 -6.199 8.904 -12.913 1.00 1.41 C ATOM 1190 CG ASN A 87 -4.912 9.305 -12.217 1.00 71.42 C ATOM 1191 OD1 ASN A 87 -3.952 8.535 -12.172 1.00 73.14 O ATOM 1192 ND2 ASN A 87 -4.887 10.514 -11.670 1.00 11.21 N ATOM 0 H ASN A 87 -7.968 7.888 -14.404 1.00 53.54 H new ATOM 0 HA ASN A 87 -5.173 7.272 -13.864 1.00 55.32 H new ATOM 0 HB2 ASN A 87 -6.387 9.585 -13.743 1.00 1.41 H new ATOM 0 HB3 ASN A 87 -7.033 9.010 -12.219 1.00 1.41 H new ATOM 0 HD21 ASN A 87 -4.049 10.838 -11.188 1.00 11.21 H new ATOM 0 HD22 ASN A 87 -5.706 11.119 -11.732 1.00 11.21 H new ATOM 1199 N CYS A 88 -5.669 5.372 -12.318 1.00 25.45 N ATOM 1200 CA CYS A 88 -5.793 4.355 -11.280 1.00 71.44 C ATOM 1201 C CYS A 88 -5.292 4.881 -9.939 1.00 5.40 C ATOM 1202 O CYS A 88 -5.483 4.249 -8.901 1.00 63.45 O ATOM 1203 CB CYS A 88 -5.012 3.099 -11.672 1.00 21.31 C ATOM 1204 SG CYS A 88 -5.650 2.259 -13.157 1.00 41.03 S ATOM 0 H CYS A 88 -4.995 5.148 -13.050 1.00 25.45 H new ATOM 0 HA CYS A 88 -6.848 4.102 -11.179 1.00 71.44 H new ATOM 0 HB2 CYS A 88 -3.970 3.370 -11.841 1.00 21.31 H new ATOM 0 HB3 CYS A 88 -5.028 2.399 -10.837 1.00 21.31 H new ATOM 1209 N ASN A 89 -4.649 6.044 -9.969 1.00 51.51 N ATOM 1210 CA ASN A 89 -4.120 6.657 -8.756 1.00 65.20 C ATOM 1211 C ASN A 89 -5.222 7.372 -7.982 1.00 15.04 C ATOM 1212 O ASN A 89 -5.073 7.667 -6.795 1.00 52.13 O ATOM 1213 CB ASN A 89 -3.003 7.643 -9.103 1.00 42.44 C ATOM 1214 CG ASN A 89 -3.094 8.926 -8.299 1.00 42.15 C ATOM 1215 OD1 ASN A 89 -3.853 9.890 -8.808 1.00 51.21 O flip ATOM 1216 ND2 ASN A 89 -2.489 9.048 -7.234 1.00 4.12 N flip ATOM 0 H ASN A 89 -4.482 6.581 -10.820 1.00 51.51 H new ATOM 0 HA ASN A 89 -3.714 5.865 -8.127 1.00 65.20 H new ATOM 0 HB2 ASN A 89 -2.037 7.172 -8.922 1.00 42.44 H new ATOM 0 HB3 ASN A 89 -3.048 7.880 -10.166 1.00 42.44 H new ATOM 0 HD21 ASN A 89 -1.917 8.280 -6.881 1.00 4.12 H new ATOM 0 HD22 ASN A 89 -2.559 9.917 -6.704 1.00 4.12 H new ATOM 1223 N THR A 90 -6.332 7.648 -8.661 1.00 4.03 N ATOM 1224 CA THR A 90 -7.460 8.329 -8.038 1.00 22.31 C ATOM 1225 C THR A 90 -8.457 7.328 -7.465 1.00 0.45 C ATOM 1226 O THR A 90 -9.483 7.712 -6.903 1.00 31.02 O ATOM 1227 CB THR A 90 -8.187 9.244 -9.041 1.00 31.11 C ATOM 1228 OG1 THR A 90 -8.750 8.461 -10.099 1.00 73.13 O ATOM 1229 CG2 THR A 90 -7.233 10.278 -9.620 1.00 72.44 C ATOM 0 H THR A 90 -6.473 7.410 -9.643 1.00 4.03 H new ATOM 0 HA THR A 90 -7.055 8.938 -7.230 1.00 22.31 H new ATOM 0 HB THR A 90 -8.985 9.765 -8.512 1.00 31.11 H new ATOM 0 HG1 THR A 90 -8.034 7.987 -10.572 1.00 73.13 H new ATOM 0 HG21 THR A 90 -7.769 10.913 -10.326 1.00 72.44 H new ATOM 0 HG22 THR A 90 -6.829 10.891 -8.815 1.00 72.44 H new ATOM 0 HG23 THR A 90 -6.417 9.772 -10.135 1.00 72.44 H new ATOM 1237 N VAL A 91 -8.149 6.043 -7.609 1.00 42.40 N ATOM 1238 CA VAL A 91 -9.018 4.987 -7.103 1.00 43.45 C ATOM 1239 C VAL A 91 -8.821 4.784 -5.605 1.00 61.25 C ATOM 1240 O VAL A 91 -7.856 5.278 -5.022 1.00 21.22 O ATOM 1241 CB VAL A 91 -8.761 3.654 -7.830 1.00 20.42 C ATOM 1242 CG1 VAL A 91 -8.569 3.886 -9.321 1.00 34.42 C ATOM 1243 CG2 VAL A 91 -7.554 2.946 -7.233 1.00 31.15 C ATOM 0 H VAL A 91 -7.304 5.708 -8.072 1.00 42.40 H new ATOM 0 HA VAL A 91 -10.044 5.303 -7.291 1.00 43.45 H new ATOM 0 HB VAL A 91 -9.633 3.014 -7.696 1.00 20.42 H new ATOM 0 HG11 VAL A 91 -8.389 2.932 -9.817 1.00 34.42 H new ATOM 0 HG12 VAL A 91 -9.465 4.347 -9.736 1.00 34.42 H new ATOM 0 HG13 VAL A 91 -7.715 4.545 -9.480 1.00 34.42 H new ATOM 0 HG21 VAL A 91 -7.387 2.006 -7.759 1.00 31.15 H new ATOM 0 HG22 VAL A 91 -6.673 3.580 -7.335 1.00 31.15 H new ATOM 0 HG23 VAL A 91 -7.736 2.744 -6.177 1.00 31.15 H new ATOM 1253 N LYS A 92 -9.742 4.052 -4.987 1.00 41.34 N ATOM 1254 CA LYS A 92 -9.670 3.780 -3.557 1.00 13.43 C ATOM 1255 C LYS A 92 -10.486 2.543 -3.197 1.00 32.05 C ATOM 1256 O LYS A 92 -11.703 2.618 -3.023 1.00 42.21 O ATOM 1257 CB LYS A 92 -10.175 4.987 -2.762 1.00 33.54 C ATOM 1258 CG LYS A 92 -9.096 6.011 -2.459 1.00 44.24 C ATOM 1259 CD LYS A 92 -9.017 6.316 -0.973 1.00 3.30 C ATOM 1260 CE LYS A 92 -8.482 7.718 -0.719 1.00 73.42 C ATOM 1261 NZ LYS A 92 -9.408 8.765 -1.231 1.00 54.41 N ATOM 0 H LYS A 92 -10.547 3.636 -5.455 1.00 41.34 H new ATOM 0 HA LYS A 92 -8.627 3.593 -3.299 1.00 13.43 H new ATOM 0 HB2 LYS A 92 -10.976 5.470 -3.321 1.00 33.54 H new ATOM 0 HB3 LYS A 92 -10.607 4.638 -1.824 1.00 33.54 H new ATOM 0 HG2 LYS A 92 -8.132 5.639 -2.806 1.00 44.24 H new ATOM 0 HG3 LYS A 92 -9.300 6.929 -3.009 1.00 44.24 H new ATOM 0 HD2 LYS A 92 -10.007 6.217 -0.527 1.00 3.30 H new ATOM 0 HD3 LYS A 92 -8.372 5.585 -0.484 1.00 3.30 H new ATOM 0 HE2 LYS A 92 -8.329 7.860 0.351 1.00 73.42 H new ATOM 0 HE3 LYS A 92 -7.509 7.828 -1.198 1.00 73.42 H new ATOM 0 HZ1 LYS A 92 -9.248 9.653 -0.714 1.00 54.41 H new ATOM 0 HZ2 LYS A 92 -9.232 8.918 -2.245 1.00 54.41 H new ATOM 0 HZ3 LYS A 92 -10.391 8.456 -1.093 1.00 54.41 H new ATOM 1275 N PHE A 93 -9.809 1.405 -3.084 1.00 42.22 N ATOM 1276 CA PHE A 93 -10.471 0.151 -2.744 1.00 12.51 C ATOM 1277 C PHE A 93 -11.355 0.320 -1.511 1.00 42.33 C ATOM 1278 O PHE A 93 -12.339 -0.405 -1.371 1.00 4.51 O ATOM 1279 CB PHE A 93 -9.435 -0.947 -2.496 1.00 1.41 C ATOM 1280 CG PHE A 93 -10.015 -2.192 -1.888 1.00 4.30 C ATOM 1281 CD1 PHE A 93 -10.465 -3.226 -2.692 1.00 55.01 C ATOM 1282 CD2 PHE A 93 -10.109 -2.328 -0.512 1.00 50.43 C ATOM 1283 CE1 PHE A 93 -10.999 -4.373 -2.136 1.00 31.41 C ATOM 1284 CE2 PHE A 93 -10.641 -3.473 0.050 1.00 53.44 C ATOM 1285 CZ PHE A 93 -11.088 -4.496 -0.763 1.00 70.22 C ATOM 0 H PHE A 93 -8.802 1.325 -3.223 1.00 42.22 H new ATOM 0 HA PHE A 93 -11.101 -0.138 -3.585 1.00 12.51 H new ATOM 0 HB2 PHE A 93 -8.955 -1.203 -3.441 1.00 1.41 H new ATOM 0 HB3 PHE A 93 -8.657 -0.560 -1.838 1.00 1.41 H new ATOM 0 HD1 PHE A 93 -10.398 -3.135 -3.766 1.00 55.01 H new ATOM 0 HD2 PHE A 93 -9.763 -1.530 0.128 1.00 50.43 H new ATOM 0 HE1 PHE A 93 -11.346 -5.172 -2.774 1.00 31.41 H new ATOM 0 HE2 PHE A 93 -10.707 -3.568 1.124 1.00 53.44 H new ATOM 0 HZ PHE A 93 -11.506 -5.391 -0.326 1.00 70.22 H new TER 1295 PHE A 93 HETATM 1296 C1 PGM A 101 10.074 -1.168 -21.792 1.00 63.34 C HETATM 1297 O1 PGM A 101 10.808 -1.036 -23.013 1.00 11.43 O HETATM 1298 C2 PGM A 101 10.860 -0.600 -20.600 1.00 44.44 C HETATM 1299 O2 PGM A 101 10.677 0.814 -20.590 1.00 34.53 O HETATM 1300 C3 PGM A 101 10.169 -1.135 -19.347 1.00 53.02 C HETATM 1301 O4 PGM A 101 10.474 -2.511 -19.079 1.00 3.41 O HETATM 1302 P5 PGM A 101 9.700 -3.081 -17.781 1.00 74.14 P HETATM 1303 O5A PGM A 101 9.155 -2.147 -16.776 1.00 24.24 O HETATM 1304 O5B PGM A 101 10.474 -4.200 -17.219 1.00 64.40 O HETATM 1305 O6 PGM A 101 8.342 -3.699 -18.394 1.00 62.04 O HETATM 1306 C7 PGM A 101 8.584 -4.647 -19.425 1.00 53.35 C HETATM 1307 C8 PGM A 101 7.382 -5.075 -20.268 1.00 42.10 C HETATM 1308 O8 PGM A 101 6.813 -4.021 -21.059 1.00 53.25 O HETATM 1309 C9 PGM A 101 6.320 -5.624 -19.318 1.00 41.40 C HETATM 1310 OQ1 PGM A 101 4.209 -4.324 -18.318 1.00 41.21 O HETATM 1311 OQ2 PGM A 101 5.044 -5.609 -19.979 1.00 72.22 O HETATM 1312 CA PGM A 101 4.018 -4.969 -19.335 1.00 31.45 C HETATM 1313 CB PGM A 101 2.603 -5.002 -19.915 1.00 42.23 C HETATM 1314 CC PGM A 101 1.741 -3.828 -19.417 1.00 50.12 C HETATM 1315 CD PGM A 101 0.507 -3.818 -20.322 1.00 65.31 C HETATM 1316 CE PGM A 101 -0.741 -3.292 -19.597 1.00 52.24 C HETATM 1317 CF PGM A 101 -2.054 -3.890 -20.093 1.00 30.32 C HETATM 1318 CG PGM A 101 -3.231 -3.909 -19.109 1.00 4.14 C HETATM 1319 CH PGM A 101 -4.065 -2.630 -19.137 1.00 22.31 C HETATM 1320 CI PGM A 101 -5.364 -2.984 -18.399 1.00 33.10 C HETATM 1321 CJ PGM A 101 -5.119 -3.141 -16.900 1.00 32.44 C HETATM 1322 CK PGM A 101 -6.345 -2.782 -16.061 1.00 0.14 C HETATM 1323 CL PGM A 101 -5.901 -2.449 -14.634 1.00 73.34 C HETATM 1324 CM PGM A 101 -5.689 -3.819 -13.983 1.00 55.33 C HETATM 1325 CN PGM A 101 -4.758 -3.537 -12.812 1.00 54.55 C HETATM 1326 CO PGM A 101 -5.033 -4.626 -11.765 1.00 64.21 C HETATM 1327 CP PGM A 101 -4.211 -5.915 -11.807 1.00 64.03 C HETATM 0 HCP3 PGM A 101 -4.362 -6.412 -12.765 1.00 64.03 H new HETATM 0 HCP2 PGM A 101 -3.154 -5.677 -11.684 1.00 64.03 H new HETATM 0 HCP1 PGM A 101 -4.530 -6.576 -11.001 1.00 64.03 H new HETATM 0 HCO2 PGM A 101 -4.895 -4.179 -10.780 1.00 64.21 H new HETATM 0 HCO1 PGM A 101 -6.084 -4.903 -11.845 1.00 64.21 H new HETATM 0 HCN2 PGM A 101 -3.716 -3.559 -13.131 1.00 54.55 H new HETATM 0 HCN1 PGM A 101 -4.944 -2.546 -12.399 1.00 54.55 H new HETATM 0 HCM2 PGM A 101 -6.632 -4.250 -13.647 1.00 55.33 H new HETATM 0 HCM1 PGM A 101 -5.246 -4.528 -14.682 1.00 55.33 H new HETATM 0 HCL2 PGM A 101 -4.985 -1.858 -14.629 1.00 73.34 H new HETATM 0 HCL1 PGM A 101 -6.657 -1.869 -14.106 1.00 73.34 H new HETATM 0 HCK2 PGM A 101 -6.864 -1.930 -16.501 1.00 0.14 H new HETATM 0 HCK1 PGM A 101 -7.049 -3.614 -16.050 1.00 0.14 H new HETATM 0 HCJ2 PGM A 101 -4.828 -4.170 -16.689 1.00 32.44 H new HETATM 0 HCJ1 PGM A 101 -4.283 -2.507 -16.604 1.00 32.44 H new HETATM 0 HCI2 PGM A 101 -6.107 -2.205 -18.570 1.00 33.10 H new HETATM 0 HCI1 PGM A 101 -5.775 -3.910 -18.803 1.00 33.10 H new HETATM 0 HCH2 PGM A 101 -3.544 -1.808 -18.646 1.00 22.31 H new HETATM 0 HCH1 PGM A 101 -4.267 -2.313 -20.160 1.00 22.31 H new HETATM 0 HCG2 PGM A 101 -3.874 -4.758 -19.339 1.00 4.14 H new HETATM 0 HCG1 PGM A 101 -2.849 -4.063 -18.100 1.00 4.14 H new HETATM 0 HCF2 PGM A 101 -2.364 -3.337 -20.980 1.00 30.32 H new HETATM 0 HCF1 PGM A 101 -1.861 -4.915 -20.408 1.00 30.32 H new HETATM 0 HCE2 PGM A 101 -0.641 -3.498 -18.531 1.00 52.24 H new HETATM 0 HCE1 PGM A 101 -0.783 -2.209 -19.710 1.00 52.24 H new HETATM 0 HCD2 PGM A 101 0.705 -3.198 -21.197 1.00 65.31 H new HETATM 0 HCD1 PGM A 101 0.316 -4.828 -20.684 1.00 65.31 H new HETATM 0 HCC2 PGM A 101 1.461 -3.962 -18.372 1.00 50.12 H new HETATM 0 HCC1 PGM A 101 2.285 -2.886 -19.483 1.00 50.12 H new HETATM 0 HCB2 PGM A 101 2.658 -4.974 -21.003 1.00 42.23 H new HETATM 0 HCB1 PGM A 101 2.123 -5.943 -19.644 1.00 42.23 H new HETATM 0 HC92 PGM A 101 6.575 -6.640 -19.016 1.00 41.40 H new HETATM 0 HC91 PGM A 101 6.280 -5.022 -18.410 1.00 41.40 H new HETATM 0 HC72 PGM A 101 9.338 -4.234 -20.095 1.00 53.35 H new HETATM 0 HC71 PGM A 101 9.015 -5.539 -18.971 1.00 53.35 H new HETATM 0 HC32 PGM A 101 10.465 -0.530 -18.490 1.00 53.02 H new HETATM 0 HC31 PGM A 101 9.090 -1.023 -19.459 1.00 53.02 H new HETATM 0 HC12 PGM A 101 9.120 -0.648 -21.881 1.00 63.34 H new HETATM 0 HC11 PGM A 101 9.849 -2.219 -21.613 1.00 63.34 H new HETATM 0 HO8 PGM A 101 5.851 -4.176 -21.167 1.00 53.25 H new HETATM 0 HO2 PGM A 101 11.168 1.202 -19.836 1.00 34.53 H new HETATM 0 HO1 PGM A 101 10.283 -1.408 -23.752 1.00 11.43 H new HETATM 0 HC8 PGM A 101 7.732 -5.823 -20.979 1.00 42.10 H new HETATM 0 HC2 PGM A 101 11.917 -0.863 -20.650 1.00 44.44 H new