USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 724 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 97 HIS : no HD1:sc= -0.0174 X(o=-0.0019,f=0) USER MOD Set 1.2: A 99 THR OG1 : rot -34:sc= 0.0155 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= -0.0837 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -155:sc= -0.137 (180deg=-0.981) USER MOD Set 3.1: A 9 SER OG : rot 23:sc= 1.02 USER MOD Set 3.2: A 42 ASN : amide:sc= -3.64! C(o=-2.6!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0633 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 26:sc= 0.453 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -70:sc= -0.422 USER MOD Single : A 16 SER OG : rot 172:sc= -0.434 USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= -0.14 (180deg=-0.832) USER MOD Single : A 22 SER OG : rot -132:sc= -0.977 USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0374) USER MOD Single : A 28 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.276) USER MOD Single : A 30 SER OG : rot 150:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -151:sc= 0.557 USER MOD Single : A 37 SER OG : rot -85:sc= 0.376 USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= -0.0142 (180deg=-0.442) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -131:sc= -0.252 (180deg=-1.6) USER MOD Single : A 49 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=-0.13) USER MOD Single : A 52 THR OG1 : rot -134:sc= -0.0319 USER MOD Single : A 53 THR OG1 : rot -14:sc= 0.758 USER MOD Single : A 55 CYS SG : rot 70:sc= -0.731 USER MOD Single : A 60 MET CE :methyl 164:sc= -0.0551 (180deg=-0.787) USER MOD Single : A 62 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-3.1!) USER MOD Single : A 65 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.1!) USER MOD Single : A 66 GLN : amide:sc= -0.0127 K(o=-0.013,f=-1.3) USER MOD Single : A 67 GLN : amide:sc= -1.25 K(o=-1.2,f=-3.9!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0417 F(o=-3.3!,f=-0.042) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -160:sc= 0.668 USER MOD Single : A 75 LYS NZ :NH3+ 147:sc= -0.0406 (180deg=-1.58!) USER MOD Single : A 80 TYR OH : rot 27:sc= 0.106 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -3.45! X(o=-3.4!,f=-3) USER MOD Single : A 94 SER OG : rot 180:sc= -0.946 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.429 10.216 -15.504 1.00 0.00 N ATOM 2 CA GLY A 1 1.605 11.410 -15.458 1.00 0.00 C ATOM 3 C GLY A 1 1.662 12.103 -14.112 1.00 0.00 C ATOM 4 O GLY A 1 2.123 13.240 -14.010 1.00 0.00 O ATOM 0 H1 GLY A 1 2.355 9.779 -16.445 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.420 10.471 -15.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.103 9.541 -14.783 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.931 12.103 -16.234 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.572 11.144 -15.682 1.00 0.00 H new ATOM 8 N SER A 2 1.191 11.418 -13.075 1.00 0.00 N ATOM 9 CA SER A 2 1.186 11.977 -11.728 1.00 0.00 C ATOM 10 C SER A 2 1.706 10.961 -10.716 1.00 0.00 C ATOM 11 O SER A 2 1.414 9.769 -10.810 1.00 0.00 O ATOM 12 CB SER A 2 -0.227 12.421 -11.343 1.00 0.00 C ATOM 13 OG SER A 2 -0.516 13.708 -11.861 1.00 0.00 O ATOM 0 H SER A 2 0.808 10.475 -13.142 1.00 0.00 H new ATOM 0 HA SER A 2 1.847 12.844 -11.718 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.953 11.702 -11.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.325 12.432 -10.257 1.00 0.00 H new ATOM 0 HG SER A 2 -1.425 13.968 -11.603 1.00 0.00 H new ATOM 19 N SER A 3 2.478 11.442 -9.747 1.00 0.00 N ATOM 20 CA SER A 3 3.043 10.577 -8.718 1.00 0.00 C ATOM 21 C SER A 3 2.667 11.072 -7.325 1.00 0.00 C ATOM 22 O SER A 3 2.158 10.313 -6.501 1.00 0.00 O ATOM 23 CB SER A 3 4.566 10.513 -8.855 1.00 0.00 C ATOM 24 OG SER A 3 5.137 11.809 -8.813 1.00 0.00 O ATOM 0 H SER A 3 2.727 12.427 -9.653 1.00 0.00 H new ATOM 0 HA SER A 3 2.631 9.577 -8.853 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.981 9.903 -8.052 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.830 10.026 -9.794 1.00 0.00 H new ATOM 0 HG SER A 3 6.111 11.740 -8.901 1.00 0.00 H new ATOM 30 N GLY A 4 2.922 12.351 -7.069 1.00 0.00 N ATOM 31 CA GLY A 4 2.605 12.927 -5.776 1.00 0.00 C ATOM 32 C GLY A 4 3.825 13.494 -5.078 1.00 0.00 C ATOM 33 O GLY A 4 4.958 13.214 -5.469 1.00 0.00 O ATOM 0 H GLY A 4 3.343 12.999 -7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.865 13.717 -5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.150 12.164 -5.144 1.00 0.00 H new ATOM 37 N SER A 5 3.594 14.297 -4.044 1.00 0.00 N ATOM 38 CA SER A 5 4.684 14.910 -3.294 1.00 0.00 C ATOM 39 C SER A 5 4.915 14.178 -1.975 1.00 0.00 C ATOM 40 O SER A 5 4.022 14.099 -1.132 1.00 0.00 O ATOM 41 CB SER A 5 4.381 16.385 -3.025 1.00 0.00 C ATOM 42 OG SER A 5 5.553 17.088 -2.653 1.00 0.00 O ATOM 0 H SER A 5 2.662 14.538 -3.707 1.00 0.00 H new ATOM 0 HA SER A 5 5.591 14.837 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.949 16.839 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.637 16.468 -2.233 1.00 0.00 H new ATOM 0 HG SER A 5 5.332 18.028 -2.488 1.00 0.00 H new ATOM 48 N SER A 6 6.120 13.644 -1.805 1.00 0.00 N ATOM 49 CA SER A 6 6.469 12.915 -0.591 1.00 0.00 C ATOM 50 C SER A 6 5.895 13.607 0.642 1.00 0.00 C ATOM 51 O SER A 6 6.211 14.762 0.923 1.00 0.00 O ATOM 52 CB SER A 6 7.989 12.795 -0.461 1.00 0.00 C ATOM 53 OG SER A 6 8.601 14.073 -0.435 1.00 0.00 O ATOM 0 H SER A 6 6.871 13.702 -2.493 1.00 0.00 H new ATOM 0 HA SER A 6 6.038 11.916 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.237 12.251 0.450 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.384 12.216 -1.296 1.00 0.00 H new ATOM 0 HG SER A 6 7.962 14.735 -0.098 1.00 0.00 H new ATOM 59 N GLY A 7 5.048 12.890 1.375 1.00 0.00 N ATOM 60 CA GLY A 7 4.442 13.450 2.569 1.00 0.00 C ATOM 61 C GLY A 7 4.478 12.490 3.741 1.00 0.00 C ATOM 62 O GLY A 7 5.525 11.929 4.062 1.00 0.00 O ATOM 0 H GLY A 7 4.771 11.932 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.962 14.369 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.408 13.720 2.356 1.00 0.00 H new ATOM 66 N SER A 8 3.330 12.302 4.385 1.00 0.00 N ATOM 67 CA SER A 8 3.235 11.408 5.533 1.00 0.00 C ATOM 68 C SER A 8 2.378 10.189 5.203 1.00 0.00 C ATOM 69 O SER A 8 1.198 10.317 4.878 1.00 0.00 O ATOM 70 CB SER A 8 2.648 12.148 6.736 1.00 0.00 C ATOM 71 OG SER A 8 3.475 13.232 7.121 1.00 0.00 O ATOM 0 H SER A 8 2.453 12.757 4.131 1.00 0.00 H new ATOM 0 HA SER A 8 4.240 11.067 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.652 12.516 6.490 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.535 11.458 7.572 1.00 0.00 H new ATOM 0 HG SER A 8 3.077 13.690 7.891 1.00 0.00 H new ATOM 77 N SER A 9 2.982 9.008 5.289 1.00 0.00 N ATOM 78 CA SER A 9 2.276 7.766 4.996 1.00 0.00 C ATOM 79 C SER A 9 2.477 6.750 6.117 1.00 0.00 C ATOM 80 O SER A 9 3.569 6.209 6.290 1.00 0.00 O ATOM 81 CB SER A 9 2.760 7.181 3.668 1.00 0.00 C ATOM 82 OG SER A 9 4.102 6.736 3.766 1.00 0.00 O ATOM 0 H SER A 9 3.958 8.885 5.559 1.00 0.00 H new ATOM 0 HA SER A 9 1.212 7.990 4.919 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.118 6.349 3.378 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.680 7.934 2.884 1.00 0.00 H new ATOM 0 HG SER A 9 4.318 6.552 4.704 1.00 0.00 H new ATOM 88 N ASP A 10 1.416 6.496 6.874 1.00 0.00 N ATOM 89 CA ASP A 10 1.474 5.544 7.977 1.00 0.00 C ATOM 90 C ASP A 10 0.821 4.221 7.589 1.00 0.00 C ATOM 91 O ASP A 10 -0.222 4.200 6.936 1.00 0.00 O ATOM 92 CB ASP A 10 0.785 6.123 9.215 1.00 0.00 C ATOM 93 CG ASP A 10 1.380 5.598 10.507 1.00 0.00 C ATOM 94 OD1 ASP A 10 1.336 4.370 10.724 1.00 0.00 O ATOM 95 OD2 ASP A 10 1.889 6.417 11.301 1.00 0.00 O ATOM 0 H ASP A 10 0.505 6.936 6.744 1.00 0.00 H new ATOM 0 HA ASP A 10 2.523 5.357 8.208 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.865 7.210 9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.277 5.881 9.183 1.00 0.00 H new ATOM 100 N ALA A 11 1.444 3.119 7.994 1.00 0.00 N ATOM 101 CA ALA A 11 0.923 1.792 7.689 1.00 0.00 C ATOM 102 C ALA A 11 -0.081 1.341 8.744 1.00 0.00 C ATOM 103 O ALA A 11 -1.158 0.842 8.417 1.00 0.00 O ATOM 104 CB ALA A 11 2.063 0.790 7.579 1.00 0.00 C ATOM 0 H ALA A 11 2.310 3.119 8.534 1.00 0.00 H new ATOM 0 HA ALA A 11 0.405 1.843 6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.660 -0.197 7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.742 1.097 6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.605 0.751 8.524 1.00 0.00 H new ATOM 110 N SER A 12 0.279 1.517 10.011 1.00 0.00 N ATOM 111 CA SER A 12 -0.589 1.123 11.115 1.00 0.00 C ATOM 112 C SER A 12 -1.986 1.712 10.943 1.00 0.00 C ATOM 113 O SER A 12 -2.950 1.239 11.546 1.00 0.00 O ATOM 114 CB SER A 12 0.008 1.577 12.448 1.00 0.00 C ATOM 115 OG SER A 12 0.998 0.669 12.900 1.00 0.00 O ATOM 0 H SER A 12 1.166 1.930 10.299 1.00 0.00 H new ATOM 0 HA SER A 12 -0.669 0.036 11.113 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.445 2.569 12.335 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.782 1.660 13.194 1.00 0.00 H new ATOM 0 HG SER A 12 1.365 0.983 13.753 1.00 0.00 H new ATOM 121 N LYS A 13 -2.088 2.747 10.117 1.00 0.00 N ATOM 122 CA LYS A 13 -3.366 3.402 9.864 1.00 0.00 C ATOM 123 C LYS A 13 -4.138 2.680 8.764 1.00 0.00 C ATOM 124 O LYS A 13 -5.368 2.628 8.786 1.00 0.00 O ATOM 125 CB LYS A 13 -3.144 4.864 9.470 1.00 0.00 C ATOM 126 CG LYS A 13 -2.509 5.700 10.568 1.00 0.00 C ATOM 127 CD LYS A 13 -3.272 5.575 11.876 1.00 0.00 C ATOM 128 CE LYS A 13 -2.806 6.606 12.893 1.00 0.00 C ATOM 129 NZ LYS A 13 -3.426 6.387 14.229 1.00 0.00 N ATOM 0 H LYS A 13 -1.300 3.151 9.611 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.953 3.365 10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.510 4.901 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.101 5.307 9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.477 5.384 10.716 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.481 6.745 10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.339 5.702 11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.136 4.573 12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.721 6.561 12.985 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.055 7.606 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.083 7.110 14.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.461 6.455 14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.168 5.443 14.581 1.00 0.00 H new ATOM 143 N VAL A 14 -3.408 2.122 7.803 1.00 0.00 N ATOM 144 CA VAL A 14 -4.025 1.400 6.696 1.00 0.00 C ATOM 145 C VAL A 14 -4.907 0.265 7.204 1.00 0.00 C ATOM 146 O VAL A 14 -4.483 -0.546 8.028 1.00 0.00 O ATOM 147 CB VAL A 14 -2.963 0.823 5.742 1.00 0.00 C ATOM 148 CG1 VAL A 14 -3.606 -0.115 4.732 1.00 0.00 C ATOM 149 CG2 VAL A 14 -2.213 1.945 5.038 1.00 0.00 C ATOM 0 H VAL A 14 -2.389 2.156 7.769 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.639 2.118 6.153 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.245 0.250 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.840 -0.513 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.093 -0.937 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.346 0.432 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.466 1.519 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.916 2.547 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.719 2.573 5.779 1.00 0.00 H new ATOM 159 N THR A 15 -6.138 0.211 6.705 1.00 0.00 N ATOM 160 CA THR A 15 -7.081 -0.824 7.108 1.00 0.00 C ATOM 161 C THR A 15 -7.483 -1.693 5.922 1.00 0.00 C ATOM 162 O THR A 15 -7.562 -1.217 4.790 1.00 0.00 O ATOM 163 CB THR A 15 -8.349 -0.216 7.737 1.00 0.00 C ATOM 164 OG1 THR A 15 -8.956 0.705 6.823 1.00 0.00 O ATOM 165 CG2 THR A 15 -8.018 0.499 9.039 1.00 0.00 C ATOM 0 H THR A 15 -6.505 0.872 6.021 1.00 0.00 H new ATOM 0 HA THR A 15 -6.575 -1.440 7.852 1.00 0.00 H new ATOM 0 HB THR A 15 -9.045 -1.027 7.952 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.392 1.502 6.739 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.929 0.920 9.465 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.583 -0.210 9.743 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.305 1.300 8.843 1.00 0.00 H new ATOM 173 N SER A 16 -7.737 -2.970 6.189 1.00 0.00 N ATOM 174 CA SER A 16 -8.128 -3.907 5.142 1.00 0.00 C ATOM 175 C SER A 16 -9.351 -4.716 5.566 1.00 0.00 C ATOM 176 O SER A 16 -9.492 -5.086 6.732 1.00 0.00 O ATOM 177 CB SER A 16 -6.969 -4.849 4.812 1.00 0.00 C ATOM 178 OG SER A 16 -6.703 -5.729 5.891 1.00 0.00 O ATOM 0 H SER A 16 -7.679 -3.380 7.121 1.00 0.00 H new ATOM 0 HA SER A 16 -8.384 -3.332 4.252 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.208 -5.426 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.076 -4.266 4.585 1.00 0.00 H new ATOM 0 HG SER A 16 -6.049 -6.403 5.610 1.00 0.00 H new ATOM 184 N LYS A 17 -10.233 -4.987 4.611 1.00 0.00 N ATOM 185 CA LYS A 17 -11.444 -5.752 4.881 1.00 0.00 C ATOM 186 C LYS A 17 -11.640 -6.848 3.838 1.00 0.00 C ATOM 187 O LYS A 17 -10.921 -6.905 2.841 1.00 0.00 O ATOM 188 CB LYS A 17 -12.663 -4.828 4.900 1.00 0.00 C ATOM 189 CG LYS A 17 -12.753 -3.915 3.690 1.00 0.00 C ATOM 190 CD LYS A 17 -13.487 -2.625 4.017 1.00 0.00 C ATOM 191 CE LYS A 17 -12.533 -1.554 4.523 1.00 0.00 C ATOM 192 NZ LYS A 17 -12.331 -1.642 5.996 1.00 0.00 N ATOM 0 H LYS A 17 -10.132 -4.688 3.641 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.336 -6.221 5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.567 -5.434 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.632 -4.218 5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.750 -3.683 3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.268 -4.432 2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.003 -2.263 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.250 -2.820 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.572 -1.655 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.925 -0.569 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.019 -0.719 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.226 -1.910 6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.607 -2.359 6.205 1.00 0.00 H new ATOM 206 N GLY A 18 -12.620 -7.716 4.074 1.00 0.00 N ATOM 207 CA GLY A 18 -12.893 -8.797 3.145 1.00 0.00 C ATOM 208 C GLY A 18 -12.441 -10.143 3.674 1.00 0.00 C ATOM 209 O GLY A 18 -11.625 -10.215 4.592 1.00 0.00 O ATOM 0 H GLY A 18 -13.229 -7.689 4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.962 -8.832 2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.391 -8.595 2.199 1.00 0.00 H new ATOM 213 N ALA A 19 -12.975 -11.214 3.094 1.00 0.00 N ATOM 214 CA ALA A 19 -12.621 -12.565 3.512 1.00 0.00 C ATOM 215 C ALA A 19 -11.320 -13.019 2.859 1.00 0.00 C ATOM 216 O ALA A 19 -10.736 -14.027 3.253 1.00 0.00 O ATOM 217 CB ALA A 19 -13.747 -13.532 3.179 1.00 0.00 C ATOM 0 H ALA A 19 -13.654 -11.172 2.334 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.471 -12.557 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.469 -14.537 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.655 -13.225 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.924 -13.527 2.104 1.00 0.00 H new ATOM 223 N GLY A 20 -10.872 -12.267 1.858 1.00 0.00 N ATOM 224 CA GLY A 20 -9.643 -12.610 1.166 1.00 0.00 C ATOM 225 C GLY A 20 -8.417 -12.429 2.038 1.00 0.00 C ATOM 226 O GLY A 20 -7.291 -12.664 1.597 1.00 0.00 O ATOM 0 H GLY A 20 -11.338 -11.427 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.696 -13.645 0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.546 -11.990 0.275 1.00 0.00 H new ATOM 230 N LEU A 21 -8.632 -12.008 3.280 1.00 0.00 N ATOM 231 CA LEU A 21 -7.535 -11.793 4.217 1.00 0.00 C ATOM 232 C LEU A 21 -7.686 -12.684 5.446 1.00 0.00 C ATOM 233 O LEU A 21 -6.857 -12.651 6.355 1.00 0.00 O ATOM 234 CB LEU A 21 -7.480 -10.324 4.641 1.00 0.00 C ATOM 235 CG LEU A 21 -7.588 -9.296 3.515 1.00 0.00 C ATOM 236 CD1 LEU A 21 -8.244 -8.019 4.018 1.00 0.00 C ATOM 237 CD2 LEU A 21 -6.215 -8.998 2.931 1.00 0.00 C ATOM 0 H LEU A 21 -9.557 -11.809 3.661 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.604 -12.054 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.286 -10.141 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.543 -10.155 5.172 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.213 -9.715 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.312 -7.299 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.244 -8.245 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.646 -7.597 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.311 -8.264 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.566 -8.601 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.782 -9.915 2.532 1.00 0.00 H new ATOM 249 N SER A 22 -8.749 -13.482 5.465 1.00 0.00 N ATOM 250 CA SER A 22 -9.010 -14.381 6.583 1.00 0.00 C ATOM 251 C SER A 22 -8.867 -15.838 6.153 1.00 0.00 C ATOM 252 O SER A 22 -8.543 -16.707 6.962 1.00 0.00 O ATOM 253 CB SER A 22 -10.412 -14.138 7.144 1.00 0.00 C ATOM 254 OG SER A 22 -11.282 -13.636 6.144 1.00 0.00 O ATOM 0 H SER A 22 -9.443 -13.524 4.719 1.00 0.00 H new ATOM 0 HA SER A 22 -8.275 -14.176 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.813 -15.069 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.358 -13.431 7.972 1.00 0.00 H new ATOM 0 HG SER A 22 -11.767 -12.859 6.492 1.00 0.00 H new ATOM 260 N LYS A 23 -9.110 -16.097 4.873 1.00 0.00 N ATOM 261 CA LYS A 23 -9.008 -17.447 4.332 1.00 0.00 C ATOM 262 C LYS A 23 -9.220 -17.445 2.821 1.00 0.00 C ATOM 263 O LYS A 23 -9.519 -16.409 2.228 1.00 0.00 O ATOM 264 CB LYS A 23 -10.034 -18.365 5.000 1.00 0.00 C ATOM 265 CG LYS A 23 -11.461 -17.855 4.903 1.00 0.00 C ATOM 266 CD LYS A 23 -12.444 -18.823 5.539 1.00 0.00 C ATOM 267 CE LYS A 23 -13.736 -18.126 5.937 1.00 0.00 C ATOM 268 NZ LYS A 23 -14.415 -17.506 4.765 1.00 0.00 N ATOM 0 H LYS A 23 -9.379 -15.389 4.190 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.005 -17.820 4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.978 -19.352 4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.771 -18.486 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.536 -16.885 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.724 -17.704 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.665 -19.630 4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.990 -19.279 6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.407 -18.845 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.521 -17.358 6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.346 -17.145 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.836 -16.721 4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.537 -18.219 4.017 1.00 0.00 H new ATOM 282 N ALA A 24 -9.063 -18.612 2.205 1.00 0.00 N ATOM 283 CA ALA A 24 -9.241 -18.746 0.765 1.00 0.00 C ATOM 284 C ALA A 24 -9.732 -20.142 0.399 1.00 0.00 C ATOM 285 O ALA A 24 -9.535 -21.097 1.151 1.00 0.00 O ATOM 286 CB ALA A 24 -7.938 -18.436 0.042 1.00 0.00 C ATOM 0 H ALA A 24 -8.813 -19.479 2.681 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.999 -18.029 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.085 -18.540 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.630 -17.416 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.165 -19.130 0.371 1.00 0.00 H new ATOM 292 N PHE A 25 -10.372 -20.254 -0.760 1.00 0.00 N ATOM 293 CA PHE A 25 -10.893 -21.535 -1.225 1.00 0.00 C ATOM 294 C PHE A 25 -10.340 -21.878 -2.605 1.00 0.00 C ATOM 295 O PHE A 25 -10.252 -21.019 -3.483 1.00 0.00 O ATOM 296 CB PHE A 25 -12.422 -21.501 -1.270 1.00 0.00 C ATOM 297 CG PHE A 25 -13.060 -21.441 0.088 1.00 0.00 C ATOM 298 CD1 PHE A 25 -12.952 -20.301 0.869 1.00 0.00 C ATOM 299 CD2 PHE A 25 -13.769 -22.523 0.584 1.00 0.00 C ATOM 300 CE1 PHE A 25 -13.538 -20.244 2.119 1.00 0.00 C ATOM 301 CE2 PHE A 25 -14.358 -22.471 1.833 1.00 0.00 C ATOM 302 CZ PHE A 25 -14.243 -21.329 2.602 1.00 0.00 C ATOM 0 H PHE A 25 -10.543 -19.474 -1.395 1.00 0.00 H new ATOM 0 HA PHE A 25 -10.574 -22.306 -0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.741 -20.636 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.782 -22.387 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.404 -19.448 0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.863 -23.418 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -13.445 -19.351 2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -14.908 -23.322 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 25 -14.703 -21.285 3.578 1.00 0.00 H new ATOM 312 N VAL A 26 -9.967 -23.141 -2.789 1.00 0.00 N ATOM 313 CA VAL A 26 -9.423 -23.600 -4.061 1.00 0.00 C ATOM 314 C VAL A 26 -10.398 -23.338 -5.203 1.00 0.00 C ATOM 315 O VAL A 26 -11.540 -23.794 -5.175 1.00 0.00 O ATOM 316 CB VAL A 26 -9.090 -25.103 -4.020 1.00 0.00 C ATOM 317 CG1 VAL A 26 -8.535 -25.564 -5.359 1.00 0.00 C ATOM 318 CG2 VAL A 26 -8.110 -25.401 -2.896 1.00 0.00 C ATOM 0 H VAL A 26 -10.032 -23.864 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.506 -23.037 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.009 -25.656 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.306 -26.628 -5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.275 -25.387 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.626 -25.007 -5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.886 -26.468 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.190 -24.839 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.551 -25.110 -1.942 1.00 0.00 H new ATOM 328 N GLY A 27 -9.940 -22.598 -6.209 1.00 0.00 N ATOM 329 CA GLY A 27 -10.784 -22.288 -7.347 1.00 0.00 C ATOM 330 C GLY A 27 -11.509 -20.966 -7.188 1.00 0.00 C ATOM 331 O GLY A 27 -11.421 -20.095 -8.053 1.00 0.00 O ATOM 0 H GLY A 27 -8.999 -22.208 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.174 -22.258 -8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.515 -23.086 -7.482 1.00 0.00 H new ATOM 335 N GLN A 28 -12.229 -20.817 -6.080 1.00 0.00 N ATOM 336 CA GLN A 28 -12.973 -19.592 -5.813 1.00 0.00 C ATOM 337 C GLN A 28 -12.065 -18.371 -5.908 1.00 0.00 C ATOM 338 O GLN A 28 -10.870 -18.449 -5.625 1.00 0.00 O ATOM 339 CB GLN A 28 -13.619 -19.655 -4.428 1.00 0.00 C ATOM 340 CG GLN A 28 -14.816 -20.590 -4.356 1.00 0.00 C ATOM 341 CD GLN A 28 -15.602 -20.434 -3.070 1.00 0.00 C ATOM 342 OE1 GLN A 28 -16.294 -19.435 -2.869 1.00 0.00 O ATOM 343 NE2 GLN A 28 -15.501 -21.423 -2.189 1.00 0.00 N ATOM 0 H GLN A 28 -12.313 -21.529 -5.354 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.754 -19.500 -6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.872 -19.978 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.934 -18.653 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.473 -20.399 -5.204 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.473 -21.621 -4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.916 -22.233 -2.396 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.008 -21.373 -1.305 1.00 0.00 H new ATOM 352 N LYS A 29 -12.640 -17.242 -6.310 1.00 0.00 N ATOM 353 CA LYS A 29 -11.883 -16.003 -6.443 1.00 0.00 C ATOM 354 C LYS A 29 -11.979 -15.168 -5.170 1.00 0.00 C ATOM 355 O LYS A 29 -13.005 -14.542 -4.903 1.00 0.00 O ATOM 356 CB LYS A 29 -12.396 -15.194 -7.636 1.00 0.00 C ATOM 357 CG LYS A 29 -11.336 -14.314 -8.276 1.00 0.00 C ATOM 358 CD LYS A 29 -11.810 -13.744 -9.602 1.00 0.00 C ATOM 359 CE LYS A 29 -10.639 -13.335 -10.483 1.00 0.00 C ATOM 360 NZ LYS A 29 -10.187 -11.945 -10.194 1.00 0.00 N ATOM 0 H LYS A 29 -13.628 -17.160 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.837 -16.261 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.789 -15.879 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.227 -14.568 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.081 -13.499 -7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.427 -14.894 -8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.416 -14.485 -10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.449 -12.880 -9.420 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.810 -14.026 -10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.928 -13.412 -11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.099 -11.416 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.882 -11.475 -9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.264 -11.973 -9.715 1.00 0.00 H new ATOM 374 N SER A 30 -10.904 -15.163 -4.389 1.00 0.00 N ATOM 375 CA SER A 30 -10.868 -14.406 -3.143 1.00 0.00 C ATOM 376 C SER A 30 -10.511 -12.946 -3.404 1.00 0.00 C ATOM 377 O SER A 30 -9.564 -12.647 -4.131 1.00 0.00 O ATOM 378 CB SER A 30 -9.858 -15.025 -2.175 1.00 0.00 C ATOM 379 OG SER A 30 -10.381 -16.195 -1.571 1.00 0.00 O ATOM 0 H SER A 30 -10.046 -15.674 -4.597 1.00 0.00 H new ATOM 0 HA SER A 30 -11.861 -14.444 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.939 -15.267 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.597 -14.300 -1.404 1.00 0.00 H new ATOM 0 HG SER A 30 -9.648 -16.813 -1.366 1.00 0.00 H new ATOM 385 N SER A 31 -11.277 -12.040 -2.804 1.00 0.00 N ATOM 386 CA SER A 31 -11.045 -10.610 -2.974 1.00 0.00 C ATOM 387 C SER A 31 -11.061 -9.894 -1.627 1.00 0.00 C ATOM 388 O SER A 31 -11.735 -10.323 -0.691 1.00 0.00 O ATOM 389 CB SER A 31 -12.103 -10.006 -3.898 1.00 0.00 C ATOM 390 OG SER A 31 -13.223 -9.548 -3.160 1.00 0.00 O ATOM 0 H SER A 31 -12.063 -12.271 -2.196 1.00 0.00 H new ATOM 0 HA SER A 31 -10.062 -10.478 -3.425 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.670 -9.178 -4.459 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.423 -10.752 -4.626 1.00 0.00 H new ATOM 0 HG SER A 31 -13.884 -9.165 -3.773 1.00 0.00 H new ATOM 396 N PHE A 32 -10.313 -8.799 -1.537 1.00 0.00 N ATOM 397 CA PHE A 32 -10.239 -8.022 -0.305 1.00 0.00 C ATOM 398 C PHE A 32 -9.910 -6.562 -0.602 1.00 0.00 C ATOM 399 O PHE A 32 -9.079 -6.263 -1.460 1.00 0.00 O ATOM 400 CB PHE A 32 -9.186 -8.613 0.633 1.00 0.00 C ATOM 401 CG PHE A 32 -7.785 -8.519 0.098 1.00 0.00 C ATOM 402 CD1 PHE A 32 -7.095 -7.318 0.135 1.00 0.00 C ATOM 403 CD2 PHE A 32 -7.160 -9.631 -0.442 1.00 0.00 C ATOM 404 CE1 PHE A 32 -5.806 -7.228 -0.357 1.00 0.00 C ATOM 405 CE2 PHE A 32 -5.871 -9.547 -0.935 1.00 0.00 C ATOM 406 CZ PHE A 32 -5.194 -8.344 -0.893 1.00 0.00 C ATOM 0 H PHE A 32 -9.749 -8.430 -2.303 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.214 -8.065 0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.235 -8.098 1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.425 -9.660 0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.569 -6.442 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.685 -10.574 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.278 -6.286 -0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.394 -10.421 -1.353 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.188 -8.276 -1.279 1.00 0.00 H new ATOM 416 N LEU A 33 -10.569 -5.656 0.113 1.00 0.00 N ATOM 417 CA LEU A 33 -10.348 -4.226 -0.073 1.00 0.00 C ATOM 418 C LEU A 33 -9.377 -3.685 0.972 1.00 0.00 C ATOM 419 O LEU A 33 -9.294 -4.203 2.086 1.00 0.00 O ATOM 420 CB LEU A 33 -11.675 -3.471 0.009 1.00 0.00 C ATOM 421 CG LEU A 33 -11.682 -2.060 -0.582 1.00 0.00 C ATOM 422 CD1 LEU A 33 -10.980 -1.087 0.353 1.00 0.00 C ATOM 423 CD2 LEU A 33 -11.024 -2.053 -1.954 1.00 0.00 C ATOM 0 H LEU A 33 -11.260 -5.886 0.827 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.911 -4.076 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.438 -4.060 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.969 -3.406 1.057 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.718 -1.740 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.994 -0.088 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.494 -1.071 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.947 -1.404 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.038 -1.041 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.993 -2.394 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.569 -2.719 -2.623 1.00 0.00 H new ATOM 435 N VAL A 34 -8.644 -2.639 0.605 1.00 0.00 N ATOM 436 CA VAL A 34 -7.681 -2.024 1.511 1.00 0.00 C ATOM 437 C VAL A 34 -7.813 -0.506 1.506 1.00 0.00 C ATOM 438 O VAL A 34 -7.497 0.153 0.515 1.00 0.00 O ATOM 439 CB VAL A 34 -6.236 -2.404 1.135 1.00 0.00 C ATOM 440 CG1 VAL A 34 -5.258 -1.879 2.175 1.00 0.00 C ATOM 441 CG2 VAL A 34 -6.105 -3.911 0.980 1.00 0.00 C ATOM 0 H VAL A 34 -8.699 -2.199 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.900 -2.401 2.510 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.994 -1.941 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.243 -2.157 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.335 -0.793 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.495 -2.310 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.078 -4.162 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.366 -4.397 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.777 -4.256 0.194 1.00 0.00 H new ATOM 451 N ASP A 35 -8.283 0.045 2.620 1.00 0.00 N ATOM 452 CA ASP A 35 -8.456 1.487 2.747 1.00 0.00 C ATOM 453 C ASP A 35 -7.154 2.155 3.177 1.00 0.00 C ATOM 454 O ASP A 35 -6.527 1.744 4.154 1.00 0.00 O ATOM 455 CB ASP A 35 -9.564 1.803 3.753 1.00 0.00 C ATOM 456 CG ASP A 35 -10.240 3.131 3.473 1.00 0.00 C ATOM 457 OD1 ASP A 35 -9.604 3.997 2.836 1.00 0.00 O ATOM 458 OD2 ASP A 35 -11.404 3.304 3.891 1.00 0.00 O ATOM 0 H ASP A 35 -8.551 -0.486 3.449 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.740 1.881 1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.309 1.008 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.144 1.817 4.759 1.00 0.00 H new ATOM 463 N CYS A 36 -6.754 3.187 2.442 1.00 0.00 N ATOM 464 CA CYS A 36 -5.525 3.911 2.746 1.00 0.00 C ATOM 465 C CYS A 36 -5.780 5.413 2.806 1.00 0.00 C ATOM 466 O CYS A 36 -4.894 6.216 2.511 1.00 0.00 O ATOM 467 CB CYS A 36 -4.454 3.604 1.698 1.00 0.00 C ATOM 468 SG CYS A 36 -3.898 1.884 1.693 1.00 0.00 S ATOM 0 H CYS A 36 -7.263 3.541 1.632 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.171 3.582 3.723 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.845 3.851 0.711 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.595 4.252 1.872 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.666 1.827 1.282 1.00 0.00 H new ATOM 474 N SER A 37 -6.997 5.787 3.188 1.00 0.00 N ATOM 475 CA SER A 37 -7.370 7.194 3.281 1.00 0.00 C ATOM 476 C SER A 37 -6.764 7.836 4.525 1.00 0.00 C ATOM 477 O SER A 37 -5.908 8.715 4.430 1.00 0.00 O ATOM 478 CB SER A 37 -8.893 7.338 3.310 1.00 0.00 C ATOM 479 OG SER A 37 -9.459 6.567 4.357 1.00 0.00 O ATOM 0 H SER A 37 -7.741 5.136 3.438 1.00 0.00 H new ATOM 0 HA SER A 37 -6.980 7.707 2.402 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.160 8.387 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.310 7.020 2.354 1.00 0.00 H new ATOM 0 HG SER A 37 -9.595 5.647 4.049 1.00 0.00 H new ATOM 485 N LYS A 38 -7.215 7.390 5.693 1.00 0.00 N ATOM 486 CA LYS A 38 -6.717 7.918 6.958 1.00 0.00 C ATOM 487 C LYS A 38 -5.226 7.641 7.115 1.00 0.00 C ATOM 488 O LYS A 38 -4.575 8.183 8.007 1.00 0.00 O ATOM 489 CB LYS A 38 -7.487 7.303 8.129 1.00 0.00 C ATOM 490 CG LYS A 38 -8.972 7.624 8.116 1.00 0.00 C ATOM 491 CD LYS A 38 -9.238 9.055 8.550 1.00 0.00 C ATOM 492 CE LYS A 38 -10.641 9.502 8.169 1.00 0.00 C ATOM 493 NZ LYS A 38 -11.608 8.369 8.188 1.00 0.00 N ATOM 0 H LYS A 38 -7.925 6.664 5.790 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.869 8.997 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.358 6.221 8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.055 7.659 9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.370 7.467 7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.499 6.938 8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.109 9.139 9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.506 9.718 8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.975 10.277 8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.623 9.947 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.579 8.741 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.468 7.779 7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.453 7.795 9.041 1.00 0.00 H new ATOM 507 N ALA A 39 -4.691 6.795 6.240 1.00 0.00 N ATOM 508 CA ALA A 39 -3.275 6.449 6.280 1.00 0.00 C ATOM 509 C ALA A 39 -2.426 7.536 5.630 1.00 0.00 C ATOM 510 O ALA A 39 -1.607 8.174 6.290 1.00 0.00 O ATOM 511 CB ALA A 39 -3.040 5.111 5.594 1.00 0.00 C ATOM 0 H ALA A 39 -5.216 6.337 5.495 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.975 6.367 7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.979 4.865 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.611 4.335 6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.362 5.174 4.555 1.00 0.00 H new ATOM 517 N GLY A 40 -2.627 7.740 4.332 1.00 0.00 N ATOM 518 CA GLY A 40 -1.871 8.750 3.615 1.00 0.00 C ATOM 519 C GLY A 40 -2.129 8.716 2.121 1.00 0.00 C ATOM 520 O GLY A 40 -3.233 8.392 1.683 1.00 0.00 O ATOM 0 H GLY A 40 -3.299 7.224 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.129 9.736 4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.807 8.603 3.800 1.00 0.00 H new ATOM 524 N SER A 41 -1.110 9.054 1.338 1.00 0.00 N ATOM 525 CA SER A 41 -1.233 9.066 -0.115 1.00 0.00 C ATOM 526 C SER A 41 -0.094 8.286 -0.763 1.00 0.00 C ATOM 527 O SER A 41 0.479 8.718 -1.762 1.00 0.00 O ATOM 528 CB SER A 41 -1.243 10.504 -0.635 1.00 0.00 C ATOM 529 OG SER A 41 0.006 11.135 -0.412 1.00 0.00 O ATOM 0 H SER A 41 -0.190 9.323 1.685 1.00 0.00 H new ATOM 0 HA SER A 41 -2.175 8.585 -0.379 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.470 10.507 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.033 11.068 -0.139 1.00 0.00 H new ATOM 0 HG SER A 41 -0.025 12.053 -0.755 1.00 0.00 H new ATOM 535 N ASN A 42 0.229 7.133 -0.187 1.00 0.00 N ATOM 536 CA ASN A 42 1.301 6.291 -0.707 1.00 0.00 C ATOM 537 C ASN A 42 0.757 5.275 -1.707 1.00 0.00 C ATOM 538 O ASN A 42 -0.433 5.271 -2.018 1.00 0.00 O ATOM 539 CB ASN A 42 2.011 5.567 0.438 1.00 0.00 C ATOM 540 CG ASN A 42 3.471 5.294 0.132 1.00 0.00 C ATOM 541 OD1 ASN A 42 3.799 4.361 -0.602 1.00 0.00 O ATOM 542 ND2 ASN A 42 4.356 6.108 0.695 1.00 0.00 N ATOM 0 H ASN A 42 -0.236 6.760 0.640 1.00 0.00 H new ATOM 0 HA ASN A 42 2.017 6.933 -1.220 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.939 6.168 1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.502 4.624 0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.353 5.973 0.526 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.039 6.868 1.296 1.00 0.00 H new ATOM 549 N MET A 43 1.639 4.414 -2.205 1.00 0.00 N ATOM 550 CA MET A 43 1.247 3.391 -3.168 1.00 0.00 C ATOM 551 C MET A 43 1.072 2.039 -2.484 1.00 0.00 C ATOM 552 O MET A 43 1.898 1.635 -1.664 1.00 0.00 O ATOM 553 CB MET A 43 2.291 3.281 -4.281 1.00 0.00 C ATOM 554 CG MET A 43 3.712 3.116 -3.767 1.00 0.00 C ATOM 555 SD MET A 43 4.813 2.386 -4.994 1.00 0.00 S ATOM 556 CE MET A 43 4.100 0.751 -5.160 1.00 0.00 C ATOM 0 H MET A 43 2.629 4.404 -1.958 1.00 0.00 H new ATOM 0 HA MET A 43 0.292 3.684 -3.603 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.043 2.432 -4.918 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.240 4.173 -4.905 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.102 4.089 -3.468 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.701 2.489 -2.875 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.887 0.001 -5.081 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.367 0.592 -4.369 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.612 0.664 -6.131 1.00 0.00 H new ATOM 566 N LEU A 44 -0.008 1.344 -2.824 1.00 0.00 N ATOM 567 CA LEU A 44 -0.292 0.037 -2.243 1.00 0.00 C ATOM 568 C LEU A 44 0.236 -1.083 -3.135 1.00 0.00 C ATOM 569 O LEU A 44 -0.216 -1.253 -4.268 1.00 0.00 O ATOM 570 CB LEU A 44 -1.797 -0.133 -2.028 1.00 0.00 C ATOM 571 CG LEU A 44 -2.221 -1.304 -1.142 1.00 0.00 C ATOM 572 CD1 LEU A 44 -1.951 -0.991 0.321 1.00 0.00 C ATOM 573 CD2 LEU A 44 -3.692 -1.631 -1.358 1.00 0.00 C ATOM 0 H LEU A 44 -0.702 1.664 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 44 0.215 -0.022 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.187 0.786 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.272 -0.250 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.631 -2.178 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.259 -1.836 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.886 -0.808 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.514 -0.105 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.976 -2.467 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.299 -0.761 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.856 -1.900 -2.402 1.00 0.00 H new ATOM 585 N LEU A 45 1.193 -1.844 -2.616 1.00 0.00 N ATOM 586 CA LEU A 45 1.781 -2.950 -3.365 1.00 0.00 C ATOM 587 C LEU A 45 1.548 -4.276 -2.649 1.00 0.00 C ATOM 588 O LEU A 45 1.280 -4.306 -1.448 1.00 0.00 O ATOM 589 CB LEU A 45 3.280 -2.718 -3.561 1.00 0.00 C ATOM 590 CG LEU A 45 4.155 -2.903 -2.321 1.00 0.00 C ATOM 591 CD1 LEU A 45 4.633 -4.343 -2.214 1.00 0.00 C ATOM 592 CD2 LEU A 45 5.339 -1.947 -2.357 1.00 0.00 C ATOM 0 H LEU A 45 1.578 -1.716 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 45 1.297 -2.996 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.634 -3.398 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.425 -1.705 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 45 3.556 -2.675 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.254 -4.455 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.772 -5.008 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.216 -4.600 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.951 -2.092 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.939 -2.144 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.976 -0.919 -2.384 1.00 0.00 H new ATOM 604 N ILE A 46 1.655 -5.371 -3.395 1.00 0.00 N ATOM 605 CA ILE A 46 1.460 -6.701 -2.830 1.00 0.00 C ATOM 606 C ILE A 46 2.674 -7.589 -3.083 1.00 0.00 C ATOM 607 O ILE A 46 3.316 -7.498 -4.128 1.00 0.00 O ATOM 608 CB ILE A 46 0.209 -7.383 -3.415 1.00 0.00 C ATOM 609 CG1 ILE A 46 -1.016 -6.483 -3.243 1.00 0.00 C ATOM 610 CG2 ILE A 46 -0.020 -8.731 -2.749 1.00 0.00 C ATOM 611 CD1 ILE A 46 -1.585 -6.496 -1.841 1.00 0.00 C ATOM 0 H ILE A 46 1.875 -5.363 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 46 1.325 -6.571 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 46 0.368 -7.549 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.745 -5.461 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.790 -6.799 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.908 -9.200 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.845 -9.372 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.162 -8.588 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.451 -5.836 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.887 -7.510 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.827 -6.151 -1.138 1.00 0.00 H new ATOM 623 N GLY A 47 2.982 -8.449 -2.117 1.00 0.00 N ATOM 624 CA GLY A 47 4.117 -9.343 -2.254 1.00 0.00 C ATOM 625 C GLY A 47 3.770 -10.778 -1.911 1.00 0.00 C ATOM 626 O GLY A 47 4.399 -11.386 -1.045 1.00 0.00 O ATOM 0 H GLY A 47 2.466 -8.543 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.490 -9.297 -3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.924 -9.003 -1.605 1.00 0.00 H new ATOM 630 N VAL A 48 2.764 -11.320 -2.589 1.00 0.00 N ATOM 631 CA VAL A 48 2.334 -12.693 -2.351 1.00 0.00 C ATOM 632 C VAL A 48 3.522 -13.648 -2.341 1.00 0.00 C ATOM 633 O VAL A 48 4.197 -13.827 -3.355 1.00 0.00 O ATOM 634 CB VAL A 48 1.325 -13.158 -3.419 1.00 0.00 C ATOM 635 CG1 VAL A 48 0.056 -12.322 -3.355 1.00 0.00 C ATOM 636 CG2 VAL A 48 1.948 -13.091 -4.805 1.00 0.00 C ATOM 0 H VAL A 48 2.231 -10.830 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 48 1.851 -12.708 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 48 1.059 -14.195 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.644 -12.665 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.399 -12.426 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.301 -11.275 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.222 -13.423 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.245 -12.065 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.825 -13.737 -4.841 1.00 0.00 H new ATOM 646 N HIS A 49 3.773 -14.259 -1.187 1.00 0.00 N ATOM 647 CA HIS A 49 4.880 -15.197 -1.044 1.00 0.00 C ATOM 648 C HIS A 49 4.467 -16.597 -1.489 1.00 0.00 C ATOM 649 O HIS A 49 3.316 -16.999 -1.319 1.00 0.00 O ATOM 650 CB HIS A 49 5.363 -15.232 0.406 1.00 0.00 C ATOM 651 CG HIS A 49 6.815 -15.568 0.546 1.00 0.00 C ATOM 652 ND1 HIS A 49 7.818 -14.840 -0.058 1.00 0.00 N ATOM 653 CD2 HIS A 49 7.433 -16.561 1.228 1.00 0.00 C ATOM 654 CE1 HIS A 49 8.989 -15.371 0.244 1.00 0.00 C ATOM 655 NE2 HIS A 49 8.783 -16.416 1.025 1.00 0.00 N ATOM 0 H HIS A 49 3.225 -14.121 -0.338 1.00 0.00 H new ATOM 0 HA HIS A 49 5.696 -14.858 -1.682 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.177 -14.261 0.866 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.774 -15.964 0.959 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.953 -17.325 1.821 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.951 -15.012 -0.091 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.509 -17.018 1.414 1.00 0.00 H new ATOM 663 N GLY A 50 5.413 -17.335 -2.061 1.00 0.00 N ATOM 664 CA GLY A 50 5.128 -18.681 -2.522 1.00 0.00 C ATOM 665 C GLY A 50 5.865 -19.737 -1.722 1.00 0.00 C ATOM 666 O GLY A 50 6.693 -20.480 -2.249 1.00 0.00 O ATOM 0 H GLY A 50 6.373 -17.024 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.055 -18.864 -2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.404 -18.768 -3.573 1.00 0.00 H new ATOM 670 N PRO A 51 5.565 -19.812 -0.417 1.00 0.00 N ATOM 671 CA PRO A 51 6.196 -20.781 0.485 1.00 0.00 C ATOM 672 C PRO A 51 5.753 -22.212 0.201 1.00 0.00 C ATOM 673 O PRO A 51 6.530 -23.155 0.350 1.00 0.00 O ATOM 674 CB PRO A 51 5.717 -20.338 1.871 1.00 0.00 C ATOM 675 CG PRO A 51 4.434 -19.624 1.618 1.00 0.00 C ATOM 676 CD PRO A 51 4.588 -18.958 0.279 1.00 0.00 C ATOM 0 HA PRO A 51 7.281 -20.793 0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.571 -21.193 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.445 -19.685 2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.595 -20.319 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.236 -18.890 2.399 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.641 -18.912 -0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.948 -17.934 0.379 1.00 0.00 H new ATOM 684 N THR A 52 4.498 -22.367 -0.211 1.00 0.00 N ATOM 685 CA THR A 52 3.951 -23.684 -0.516 1.00 0.00 C ATOM 686 C THR A 52 3.556 -23.788 -1.984 1.00 0.00 C ATOM 687 O THR A 52 3.862 -24.777 -2.652 1.00 0.00 O ATOM 688 CB THR A 52 2.723 -23.998 0.359 1.00 0.00 C ATOM 689 OG1 THR A 52 1.698 -23.024 0.131 1.00 0.00 O ATOM 690 CG2 THR A 52 3.097 -24.013 1.833 1.00 0.00 C ATOM 0 H THR A 52 3.842 -21.597 -0.341 1.00 0.00 H new ATOM 0 HA THR A 52 4.735 -24.410 -0.302 1.00 0.00 H new ATOM 0 HB THR A 52 2.353 -24.986 0.086 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.335 -22.723 0.990 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.213 -24.237 2.430 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.856 -24.775 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.490 -23.037 2.119 1.00 0.00 H new ATOM 698 N THR A 53 2.875 -22.761 -2.483 1.00 0.00 N ATOM 699 CA THR A 53 2.437 -22.738 -3.873 1.00 0.00 C ATOM 700 C THR A 53 2.137 -21.315 -4.331 1.00 0.00 C ATOM 701 O THR A 53 1.459 -20.547 -3.648 1.00 0.00 O ATOM 702 CB THR A 53 1.183 -23.608 -4.082 1.00 0.00 C ATOM 703 OG1 THR A 53 1.458 -24.962 -3.707 1.00 0.00 O ATOM 704 CG2 THR A 53 0.728 -23.561 -5.533 1.00 0.00 C ATOM 0 H THR A 53 2.615 -21.934 -1.945 1.00 0.00 H new ATOM 0 HA THR A 53 3.255 -23.144 -4.469 1.00 0.00 H new ATOM 0 HB THR A 53 0.385 -23.213 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.426 -25.086 -3.616 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.159 -24.183 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.491 -22.533 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.525 -23.934 -6.176 1.00 0.00 H new ATOM 712 N PRO A 54 2.652 -20.953 -5.516 1.00 0.00 N ATOM 713 CA PRO A 54 2.450 -19.620 -6.092 1.00 0.00 C ATOM 714 C PRO A 54 1.010 -19.393 -6.538 1.00 0.00 C ATOM 715 O PRO A 54 0.256 -20.345 -6.743 1.00 0.00 O ATOM 716 CB PRO A 54 3.392 -19.610 -7.299 1.00 0.00 C ATOM 717 CG PRO A 54 3.546 -21.044 -7.672 1.00 0.00 C ATOM 718 CD PRO A 54 3.469 -21.817 -6.384 1.00 0.00 C ATOM 0 HA PRO A 54 2.651 -18.829 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.975 -19.030 -8.122 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.353 -19.161 -7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.761 -21.355 -8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.498 -21.217 -8.175 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.007 -22.794 -6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.458 -21.992 -5.961 1.00 0.00 H new ATOM 726 N CYS A 55 0.634 -18.128 -6.686 1.00 0.00 N ATOM 727 CA CYS A 55 -0.717 -17.776 -7.108 1.00 0.00 C ATOM 728 C CYS A 55 -0.789 -17.616 -8.623 1.00 0.00 C ATOM 729 O CYS A 55 0.203 -17.280 -9.269 1.00 0.00 O ATOM 730 CB CYS A 55 -1.167 -16.484 -6.424 1.00 0.00 C ATOM 731 SG CYS A 55 -0.469 -14.982 -7.152 1.00 0.00 S ATOM 0 H CYS A 55 1.246 -17.329 -6.520 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.385 -18.585 -6.814 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.255 -16.423 -6.465 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.890 -16.527 -5.371 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.990 -14.787 -8.327 1.00 0.00 H new ATOM 737 N GLU A 56 -1.970 -17.859 -9.183 1.00 0.00 N ATOM 738 CA GLU A 56 -2.170 -17.744 -10.623 1.00 0.00 C ATOM 739 C GLU A 56 -1.930 -16.313 -11.093 1.00 0.00 C ATOM 740 O GLU A 56 -1.292 -16.085 -12.120 1.00 0.00 O ATOM 741 CB GLU A 56 -3.586 -18.186 -11.000 1.00 0.00 C ATOM 742 CG GLU A 56 -3.858 -19.656 -10.727 1.00 0.00 C ATOM 743 CD GLU A 56 -3.796 -19.997 -9.251 1.00 0.00 C ATOM 744 OE1 GLU A 56 -2.676 -20.184 -8.732 1.00 0.00 O ATOM 745 OE2 GLU A 56 -4.868 -20.076 -8.615 1.00 0.00 O ATOM 0 H GLU A 56 -2.802 -18.136 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.450 -18.396 -11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.305 -17.583 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.750 -17.985 -12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.842 -19.918 -11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.131 -20.262 -11.267 1.00 0.00 H new ATOM 752 N GLU A 57 -2.448 -15.352 -10.333 1.00 0.00 N ATOM 753 CA GLU A 57 -2.291 -13.943 -10.673 1.00 0.00 C ATOM 754 C GLU A 57 -2.814 -13.051 -9.551 1.00 0.00 C ATOM 755 O GLU A 57 -3.478 -13.522 -8.627 1.00 0.00 O ATOM 756 CB GLU A 57 -3.026 -13.625 -11.977 1.00 0.00 C ATOM 757 CG GLU A 57 -4.531 -13.813 -11.888 1.00 0.00 C ATOM 758 CD GLU A 57 -5.216 -13.682 -13.235 1.00 0.00 C ATOM 759 OE1 GLU A 57 -5.155 -12.584 -13.827 1.00 0.00 O ATOM 760 OE2 GLU A 57 -5.813 -14.676 -13.697 1.00 0.00 O ATOM 0 H GLU A 57 -2.979 -15.524 -9.479 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.228 -13.744 -10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.813 -12.595 -12.262 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.635 -14.263 -12.770 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.746 -14.796 -11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.946 -13.076 -11.201 1.00 0.00 H new ATOM 767 N VAL A 58 -2.510 -11.760 -9.638 1.00 0.00 N ATOM 768 CA VAL A 58 -2.950 -10.801 -8.631 1.00 0.00 C ATOM 769 C VAL A 58 -3.516 -9.543 -9.280 1.00 0.00 C ATOM 770 O VAL A 58 -2.769 -8.660 -9.702 1.00 0.00 O ATOM 771 CB VAL A 58 -1.795 -10.406 -7.691 1.00 0.00 C ATOM 772 CG1 VAL A 58 -2.278 -9.420 -6.639 1.00 0.00 C ATOM 773 CG2 VAL A 58 -1.193 -11.641 -7.040 1.00 0.00 C ATOM 0 H VAL A 58 -1.961 -11.354 -10.395 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.732 -11.289 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.018 -9.920 -8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.449 -9.152 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.658 -8.523 -7.128 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.073 -9.877 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.379 -11.344 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.959 -12.158 -6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.809 -12.308 -7.812 1.00 0.00 H new ATOM 783 N SER A 59 -4.840 -9.468 -9.357 1.00 0.00 N ATOM 784 CA SER A 59 -5.507 -8.319 -9.958 1.00 0.00 C ATOM 785 C SER A 59 -5.668 -7.191 -8.943 1.00 0.00 C ATOM 786 O SER A 59 -6.496 -7.271 -8.036 1.00 0.00 O ATOM 787 CB SER A 59 -6.877 -8.726 -10.505 1.00 0.00 C ATOM 788 OG SER A 59 -7.283 -7.865 -11.555 1.00 0.00 O ATOM 0 H SER A 59 -5.473 -10.189 -9.011 1.00 0.00 H new ATOM 0 HA SER A 59 -4.887 -7.960 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.837 -9.753 -10.868 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.615 -8.700 -9.703 1.00 0.00 H new ATOM 0 HG SER A 59 -8.160 -8.147 -11.889 1.00 0.00 H new ATOM 794 N MET A 60 -4.868 -6.142 -9.102 1.00 0.00 N ATOM 795 CA MET A 60 -4.922 -4.997 -8.200 1.00 0.00 C ATOM 796 C MET A 60 -5.349 -3.737 -8.946 1.00 0.00 C ATOM 797 O MET A 60 -4.711 -3.331 -9.917 1.00 0.00 O ATOM 798 CB MET A 60 -3.559 -4.776 -7.541 1.00 0.00 C ATOM 799 CG MET A 60 -2.919 -6.055 -7.024 1.00 0.00 C ATOM 800 SD MET A 60 -1.122 -5.942 -6.927 1.00 0.00 S ATOM 801 CE MET A 60 -0.924 -4.323 -6.189 1.00 0.00 C ATOM 0 H MET A 60 -4.175 -6.061 -9.846 1.00 0.00 H new ATOM 0 HA MET A 60 -5.661 -5.209 -7.428 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.888 -4.309 -8.262 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.674 -4.077 -6.713 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.319 -6.283 -6.036 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.192 -6.883 -7.677 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.091 -4.220 -5.805 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.108 -3.555 -6.941 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.635 -4.207 -5.371 1.00 0.00 H new ATOM 811 N LYS A 61 -6.433 -3.122 -8.486 1.00 0.00 N ATOM 812 CA LYS A 61 -6.946 -1.907 -9.108 1.00 0.00 C ATOM 813 C LYS A 61 -7.353 -0.884 -8.052 1.00 0.00 C ATOM 814 O LYS A 61 -7.637 -1.239 -6.907 1.00 0.00 O ATOM 815 CB LYS A 61 -8.143 -2.234 -10.004 1.00 0.00 C ATOM 816 CG LYS A 61 -7.764 -2.508 -11.449 1.00 0.00 C ATOM 817 CD LYS A 61 -7.262 -3.930 -11.634 1.00 0.00 C ATOM 818 CE LYS A 61 -8.396 -4.880 -11.985 1.00 0.00 C ATOM 819 NZ LYS A 61 -9.093 -5.385 -10.769 1.00 0.00 N ATOM 0 H LYS A 61 -6.974 -3.445 -7.684 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.150 -1.477 -9.717 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.660 -3.105 -9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.847 -1.403 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.629 -2.340 -12.091 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.992 -1.805 -11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.510 -3.952 -12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.774 -4.267 -10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.112 -4.369 -12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.002 -5.722 -12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.540 -6.300 -10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.404 -5.505 -9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.822 -4.703 -10.478 1.00 0.00 H new ATOM 833 N HIS A 62 -7.380 0.386 -8.443 1.00 0.00 N ATOM 834 CA HIS A 62 -7.754 1.460 -7.530 1.00 0.00 C ATOM 835 C HIS A 62 -9.186 1.918 -7.788 1.00 0.00 C ATOM 836 O HIS A 62 -9.417 2.901 -8.493 1.00 0.00 O ATOM 837 CB HIS A 62 -6.794 2.640 -7.676 1.00 0.00 C ATOM 838 CG HIS A 62 -7.260 3.881 -6.978 1.00 0.00 C ATOM 839 ND1 HIS A 62 -7.471 5.077 -7.631 1.00 0.00 N ATOM 840 CD2 HIS A 62 -7.556 4.107 -5.677 1.00 0.00 C ATOM 841 CE1 HIS A 62 -7.876 5.985 -6.761 1.00 0.00 C ATOM 842 NE2 HIS A 62 -7.937 5.422 -5.568 1.00 0.00 N ATOM 0 H HIS A 62 -7.147 0.697 -9.386 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.692 1.076 -6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -5.819 2.355 -7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.658 2.858 -8.735 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.503 3.387 -4.874 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.116 7.013 -6.987 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.221 5.888 -4.706 1.00 0.00 H new ATOM 850 N VAL A 63 -10.146 1.199 -7.214 1.00 0.00 N ATOM 851 CA VAL A 63 -11.555 1.532 -7.382 1.00 0.00 C ATOM 852 C VAL A 63 -11.814 3.001 -7.068 1.00 0.00 C ATOM 853 O VAL A 63 -12.770 3.594 -7.565 1.00 0.00 O ATOM 854 CB VAL A 63 -12.449 0.661 -6.480 1.00 0.00 C ATOM 855 CG1 VAL A 63 -12.855 -0.615 -7.202 1.00 0.00 C ATOM 856 CG2 VAL A 63 -11.737 0.340 -5.175 1.00 0.00 C ATOM 0 H VAL A 63 -9.973 0.382 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.804 1.337 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.354 1.222 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -13.486 -1.217 -6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.407 -0.361 -8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.963 -1.182 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -12.383 -0.276 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.815 -0.201 -5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.502 1.267 -4.651 1.00 0.00 H new ATOM 866 N GLY A 64 -10.953 3.585 -6.239 1.00 0.00 N ATOM 867 CA GLY A 64 -11.105 4.981 -5.873 1.00 0.00 C ATOM 868 C GLY A 64 -11.427 5.163 -4.403 1.00 0.00 C ATOM 869 O GLY A 64 -11.636 4.189 -3.682 1.00 0.00 O ATOM 0 H GLY A 64 -10.153 3.116 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.186 5.518 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.898 5.427 -6.473 1.00 0.00 H new ATOM 873 N ASN A 65 -11.465 6.415 -3.958 1.00 0.00 N ATOM 874 CA ASN A 65 -11.761 6.721 -2.563 1.00 0.00 C ATOM 875 C ASN A 65 -10.707 6.119 -1.639 1.00 0.00 C ATOM 876 O ASN A 65 -11.017 5.687 -0.529 1.00 0.00 O ATOM 877 CB ASN A 65 -13.147 6.195 -2.187 1.00 0.00 C ATOM 878 CG ASN A 65 -13.755 6.949 -1.020 1.00 0.00 C ATOM 879 OD1 ASN A 65 -13.275 8.017 -0.639 1.00 0.00 O ATOM 880 ND2 ASN A 65 -14.816 6.395 -0.446 1.00 0.00 N ATOM 0 H ASN A 65 -11.295 7.233 -4.543 1.00 0.00 H new ATOM 0 HA ASN A 65 -11.747 7.804 -2.443 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.808 6.272 -3.050 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.075 5.137 -1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.267 6.856 0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.180 5.508 -0.795 1.00 0.00 H new ATOM 887 N GLN A 66 -9.463 6.095 -2.105 1.00 0.00 N ATOM 888 CA GLN A 66 -8.364 5.546 -1.319 1.00 0.00 C ATOM 889 C GLN A 66 -8.558 4.052 -1.082 1.00 0.00 C ATOM 890 O GLN A 66 -8.061 3.500 -0.100 1.00 0.00 O ATOM 891 CB GLN A 66 -8.251 6.276 0.020 1.00 0.00 C ATOM 892 CG GLN A 66 -8.344 7.789 -0.103 1.00 0.00 C ATOM 893 CD GLN A 66 -7.088 8.405 -0.686 1.00 0.00 C ATOM 894 OE1 GLN A 66 -6.711 8.117 -1.823 1.00 0.00 O ATOM 895 NE2 GLN A 66 -6.431 9.259 0.090 1.00 0.00 N ATOM 0 H GLN A 66 -9.191 6.449 -3.022 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.442 5.690 -1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.041 5.924 0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.302 6.015 0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.196 8.047 -0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.532 8.219 0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.779 9.469 1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.579 9.705 -0.250 1.00 0.00 H new ATOM 904 N GLN A 67 -9.285 3.403 -1.986 1.00 0.00 N ATOM 905 CA GLN A 67 -9.545 1.973 -1.874 1.00 0.00 C ATOM 906 C GLN A 67 -8.872 1.206 -3.008 1.00 0.00 C ATOM 907 O GLN A 67 -8.893 1.638 -4.160 1.00 0.00 O ATOM 908 CB GLN A 67 -11.051 1.705 -1.885 1.00 0.00 C ATOM 909 CG GLN A 67 -11.837 2.611 -0.950 1.00 0.00 C ATOM 910 CD GLN A 67 -13.336 2.441 -1.097 1.00 0.00 C ATOM 911 OE1 GLN A 67 -13.978 3.141 -1.881 1.00 0.00 O ATOM 912 NE2 GLN A 67 -13.903 1.507 -0.343 1.00 0.00 N ATOM 0 H GLN A 67 -9.704 3.845 -2.804 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.128 1.627 -0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.427 1.831 -2.900 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.229 0.666 -1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.550 2.400 0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.572 3.649 -1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.333 0.950 0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.909 1.347 -0.400 1.00 0.00 H new ATOM 921 N TYR A 68 -8.276 0.068 -2.672 1.00 0.00 N ATOM 922 CA TYR A 68 -7.594 -0.758 -3.662 1.00 0.00 C ATOM 923 C TYR A 68 -8.157 -2.176 -3.670 1.00 0.00 C ATOM 924 O TYR A 68 -8.124 -2.874 -2.658 1.00 0.00 O ATOM 925 CB TYR A 68 -6.091 -0.796 -3.377 1.00 0.00 C ATOM 926 CG TYR A 68 -5.387 0.511 -3.662 1.00 0.00 C ATOM 927 CD1 TYR A 68 -5.267 1.486 -2.680 1.00 0.00 C ATOM 928 CD2 TYR A 68 -4.844 0.772 -4.914 1.00 0.00 C ATOM 929 CE1 TYR A 68 -4.625 2.683 -2.936 1.00 0.00 C ATOM 930 CE2 TYR A 68 -4.199 1.965 -5.178 1.00 0.00 C ATOM 931 CZ TYR A 68 -4.093 2.917 -4.186 1.00 0.00 C ATOM 932 OH TYR A 68 -3.452 4.107 -4.446 1.00 0.00 O ATOM 0 H TYR A 68 -8.251 -0.304 -1.723 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.760 -0.315 -4.644 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.935 -1.063 -2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.636 -1.583 -3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.682 1.306 -1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.928 0.030 -5.694 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.541 3.431 -2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.780 2.151 -6.156 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.134 4.112 -5.373 1.00 0.00 H new ATOM 942 N ASN A 69 -8.674 -2.593 -4.822 1.00 0.00 N ATOM 943 CA ASN A 69 -9.245 -3.927 -4.964 1.00 0.00 C ATOM 944 C ASN A 69 -8.180 -4.933 -5.391 1.00 0.00 C ATOM 945 O ASN A 69 -7.588 -4.808 -6.463 1.00 0.00 O ATOM 946 CB ASN A 69 -10.386 -3.911 -5.984 1.00 0.00 C ATOM 947 CG ASN A 69 -11.403 -5.007 -5.732 1.00 0.00 C ATOM 948 OD1 ASN A 69 -10.969 -6.078 -5.078 1.00 0.00 O flip ATOM 949 ND2 ASN A 69 -12.565 -4.891 -6.121 1.00 0.00 N flip ATOM 0 H ASN A 69 -8.709 -2.027 -5.670 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.638 -4.231 -3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.885 -2.942 -5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.975 -4.025 -6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.854 -4.050 -6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.239 -5.636 -5.944 1.00 0.00 H new ATOM 956 N VAL A 70 -7.942 -5.930 -4.545 1.00 0.00 N ATOM 957 CA VAL A 70 -6.950 -6.958 -4.835 1.00 0.00 C ATOM 958 C VAL A 70 -7.570 -8.350 -4.785 1.00 0.00 C ATOM 959 O VAL A 70 -8.035 -8.798 -3.736 1.00 0.00 O ATOM 960 CB VAL A 70 -5.772 -6.897 -3.845 1.00 0.00 C ATOM 961 CG1 VAL A 70 -4.760 -7.990 -4.151 1.00 0.00 C ATOM 962 CG2 VAL A 70 -5.116 -5.525 -3.884 1.00 0.00 C ATOM 0 H VAL A 70 -8.423 -6.048 -3.653 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.579 -6.764 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.156 -7.063 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.935 -7.931 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.241 -8.965 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.378 -7.859 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.285 -5.499 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.744 -5.328 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.847 -4.764 -3.612 1.00 0.00 H new ATOM 972 N THR A 71 -7.574 -9.033 -5.926 1.00 0.00 N ATOM 973 CA THR A 71 -8.137 -10.374 -6.012 1.00 0.00 C ATOM 974 C THR A 71 -7.121 -11.362 -6.574 1.00 0.00 C ATOM 975 O THR A 71 -6.377 -11.042 -7.502 1.00 0.00 O ATOM 976 CB THR A 71 -9.400 -10.397 -6.894 1.00 0.00 C ATOM 977 OG1 THR A 71 -10.068 -9.132 -6.826 1.00 0.00 O ATOM 978 CG2 THR A 71 -10.349 -11.501 -6.451 1.00 0.00 C ATOM 0 H THR A 71 -7.193 -8.679 -6.803 1.00 0.00 H new ATOM 0 HA THR A 71 -8.405 -10.670 -4.998 1.00 0.00 H new ATOM 0 HB THR A 71 -9.095 -10.592 -7.922 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.869 -9.154 -7.391 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.233 -11.498 -7.088 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.848 -12.466 -6.531 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.647 -11.331 -5.416 1.00 0.00 H new ATOM 986 N TYR A 72 -7.095 -12.563 -6.007 1.00 0.00 N ATOM 987 CA TYR A 72 -6.168 -13.597 -6.451 1.00 0.00 C ATOM 988 C TYR A 72 -6.880 -14.938 -6.602 1.00 0.00 C ATOM 989 O TYR A 72 -8.059 -15.069 -6.273 1.00 0.00 O ATOM 990 CB TYR A 72 -5.009 -13.731 -5.462 1.00 0.00 C ATOM 991 CG TYR A 72 -5.451 -14.042 -4.050 1.00 0.00 C ATOM 992 CD1 TYR A 72 -5.946 -15.296 -3.716 1.00 0.00 C ATOM 993 CD2 TYR A 72 -5.374 -13.080 -3.049 1.00 0.00 C ATOM 994 CE1 TYR A 72 -6.352 -15.584 -2.427 1.00 0.00 C ATOM 995 CE2 TYR A 72 -5.776 -13.360 -1.758 1.00 0.00 C ATOM 996 CZ TYR A 72 -6.264 -14.613 -1.451 1.00 0.00 C ATOM 997 OH TYR A 72 -6.667 -14.895 -0.166 1.00 0.00 O ATOM 0 H TYR A 72 -7.705 -12.844 -5.239 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.774 -13.303 -7.424 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.338 -14.519 -5.806 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.436 -12.804 -5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.015 -16.059 -4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.993 -12.097 -3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.736 -16.564 -2.185 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.709 -12.601 -0.992 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.842 -14.058 0.313 1.00 0.00 H new ATOM 1007 N VAL A 73 -6.154 -15.933 -7.102 1.00 0.00 N ATOM 1008 CA VAL A 73 -6.714 -17.265 -7.296 1.00 0.00 C ATOM 1009 C VAL A 73 -5.716 -18.345 -6.892 1.00 0.00 C ATOM 1010 O VAL A 73 -4.513 -18.206 -7.112 1.00 0.00 O ATOM 1011 CB VAL A 73 -7.133 -17.491 -8.761 1.00 0.00 C ATOM 1012 CG1 VAL A 73 -7.575 -18.930 -8.975 1.00 0.00 C ATOM 1013 CG2 VAL A 73 -8.236 -16.521 -9.155 1.00 0.00 C ATOM 0 H VAL A 73 -5.177 -15.842 -7.380 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.596 -17.333 -6.659 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.270 -17.303 -9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.867 -19.070 -10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.752 -19.603 -8.736 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.424 -19.150 -8.327 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.520 -16.695 -10.193 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.102 -16.674 -8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.878 -15.498 -9.043 1.00 0.00 H new ATOM 1023 N VAL A 74 -6.224 -19.422 -6.301 1.00 0.00 N ATOM 1024 CA VAL A 74 -5.378 -20.527 -5.868 1.00 0.00 C ATOM 1025 C VAL A 74 -5.953 -21.867 -6.313 1.00 0.00 C ATOM 1026 O VAL A 74 -7.122 -22.165 -6.070 1.00 0.00 O ATOM 1027 CB VAL A 74 -5.208 -20.537 -4.337 1.00 0.00 C ATOM 1028 CG1 VAL A 74 -4.540 -19.254 -3.865 1.00 0.00 C ATOM 1029 CG2 VAL A 74 -6.554 -20.730 -3.653 1.00 0.00 C ATOM 0 H VAL A 74 -7.218 -19.552 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.403 -20.381 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.565 -21.374 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.428 -19.279 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.558 -19.163 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.155 -18.399 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.415 -20.735 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.223 -19.915 -3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.989 -21.679 -3.967 1.00 0.00 H new ATOM 1039 N LYS A 75 -5.123 -22.672 -6.967 1.00 0.00 N ATOM 1040 CA LYS A 75 -5.547 -23.982 -7.446 1.00 0.00 C ATOM 1041 C LYS A 75 -5.139 -25.078 -6.467 1.00 0.00 C ATOM 1042 O LYS A 75 -5.034 -26.247 -6.837 1.00 0.00 O ATOM 1043 CB LYS A 75 -4.942 -24.265 -8.824 1.00 0.00 C ATOM 1044 CG LYS A 75 -5.806 -23.785 -9.977 1.00 0.00 C ATOM 1045 CD LYS A 75 -5.906 -22.269 -10.006 1.00 0.00 C ATOM 1046 CE LYS A 75 -6.905 -21.796 -11.050 1.00 0.00 C ATOM 1047 NZ LYS A 75 -8.279 -21.676 -10.488 1.00 0.00 N ATOM 0 H LYS A 75 -4.152 -22.440 -7.178 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.634 -23.976 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.965 -23.785 -8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.777 -25.338 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.388 -24.141 -10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.804 -24.215 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.205 -21.904 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.926 -21.843 -10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.588 -20.831 -11.445 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.914 -22.495 -11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.778 -20.892 -10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.799 -22.562 -10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.221 -21.490 -9.466 1.00 0.00 H new ATOM 1061 N GLU A 76 -4.912 -24.692 -5.215 1.00 0.00 N ATOM 1062 CA GLU A 76 -4.517 -25.643 -4.182 1.00 0.00 C ATOM 1063 C GLU A 76 -4.931 -25.148 -2.800 1.00 0.00 C ATOM 1064 O GLU A 76 -5.352 -24.002 -2.639 1.00 0.00 O ATOM 1065 CB GLU A 76 -3.005 -25.873 -4.222 1.00 0.00 C ATOM 1066 CG GLU A 76 -2.550 -27.070 -3.404 1.00 0.00 C ATOM 1067 CD GLU A 76 -1.148 -27.523 -3.763 1.00 0.00 C ATOM 1068 OE1 GLU A 76 -0.708 -27.251 -4.900 1.00 0.00 O ATOM 1069 OE2 GLU A 76 -0.489 -28.149 -2.906 1.00 0.00 O ATOM 0 H GLU A 76 -4.995 -23.728 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.026 -26.586 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.694 -26.012 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.500 -24.979 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.586 -26.816 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.245 -27.896 -3.557 1.00 0.00 H new ATOM 1076 N ARG A 77 -4.809 -26.020 -1.804 1.00 0.00 N ATOM 1077 CA ARG A 77 -5.171 -25.674 -0.436 1.00 0.00 C ATOM 1078 C ARG A 77 -3.977 -25.832 0.500 1.00 0.00 C ATOM 1079 O ARG A 77 -2.923 -26.325 0.100 1.00 0.00 O ATOM 1080 CB ARG A 77 -6.330 -26.550 0.045 1.00 0.00 C ATOM 1081 CG ARG A 77 -6.079 -28.039 -0.127 1.00 0.00 C ATOM 1082 CD ARG A 77 -6.556 -28.531 -1.484 1.00 0.00 C ATOM 1083 NE ARG A 77 -6.981 -29.928 -1.442 1.00 0.00 N ATOM 1084 CZ ARG A 77 -7.437 -30.590 -2.499 1.00 0.00 C ATOM 1085 NH1 ARG A 77 -7.526 -29.985 -3.676 1.00 0.00 N ATOM 1086 NH2 ARG A 77 -7.805 -31.859 -2.381 1.00 0.00 N ATOM 0 H ARG A 77 -4.462 -26.972 -1.920 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.484 -24.630 -0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.520 -26.341 1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.232 -26.277 -0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.014 -28.245 -0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.592 -28.589 0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.385 -27.910 -1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.754 -28.418 -2.213 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.924 -30.422 -0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.244 -29.009 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.877 -30.495 -4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.738 -32.328 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.155 -32.366 -3.194 1.00 0.00 H new ATOM 1100 N GLY A 78 -4.150 -25.411 1.749 1.00 0.00 N ATOM 1101 CA GLY A 78 -3.078 -25.514 2.722 1.00 0.00 C ATOM 1102 C GLY A 78 -2.870 -24.226 3.494 1.00 0.00 C ATOM 1103 O GLY A 78 -3.832 -23.548 3.855 1.00 0.00 O ATOM 0 H GLY A 78 -5.013 -25.000 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.302 -26.320 3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.153 -25.782 2.212 1.00 0.00 H new ATOM 1107 N ASP A 79 -1.610 -23.889 3.750 1.00 0.00 N ATOM 1108 CA ASP A 79 -1.279 -22.674 4.485 1.00 0.00 C ATOM 1109 C ASP A 79 -0.603 -21.655 3.573 1.00 0.00 C ATOM 1110 O ASP A 79 0.463 -21.917 3.015 1.00 0.00 O ATOM 1111 CB ASP A 79 -0.367 -23.001 5.669 1.00 0.00 C ATOM 1112 CG ASP A 79 0.828 -23.842 5.264 1.00 0.00 C ATOM 1113 OD1 ASP A 79 1.758 -23.289 4.639 1.00 0.00 O ATOM 1114 OD2 ASP A 79 0.834 -25.051 5.573 1.00 0.00 O ATOM 0 H ASP A 79 -0.802 -24.440 3.460 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.207 -22.241 4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.018 -22.073 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.940 -23.531 6.430 1.00 0.00 H new ATOM 1119 N TYR A 80 -1.229 -20.493 3.426 1.00 0.00 N ATOM 1120 CA TYR A 80 -0.690 -19.435 2.579 1.00 0.00 C ATOM 1121 C TYR A 80 -0.219 -18.252 3.419 1.00 0.00 C ATOM 1122 O TYR A 80 -0.663 -18.063 4.552 1.00 0.00 O ATOM 1123 CB TYR A 80 -1.744 -18.972 1.572 1.00 0.00 C ATOM 1124 CG TYR A 80 -1.943 -19.931 0.420 1.00 0.00 C ATOM 1125 CD1 TYR A 80 -2.796 -21.021 0.536 1.00 0.00 C ATOM 1126 CD2 TYR A 80 -1.276 -19.747 -0.785 1.00 0.00 C ATOM 1127 CE1 TYR A 80 -2.980 -21.900 -0.514 1.00 0.00 C ATOM 1128 CE2 TYR A 80 -1.455 -20.619 -1.841 1.00 0.00 C ATOM 1129 CZ TYR A 80 -2.308 -21.694 -1.700 1.00 0.00 C ATOM 1130 OH TYR A 80 -2.488 -22.567 -2.749 1.00 0.00 O ATOM 0 H TYR A 80 -2.111 -20.259 3.882 1.00 0.00 H new ATOM 0 HA TYR A 80 0.167 -19.838 2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.694 -18.837 2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.454 -17.998 1.177 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.325 -21.184 1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.606 -18.908 -0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.646 -22.743 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.930 -20.460 -2.772 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.373 -22.982 -2.681 1.00 0.00 H new ATOM 1140 N VAL A 81 0.685 -17.457 2.855 1.00 0.00 N ATOM 1141 CA VAL A 81 1.217 -16.290 3.549 1.00 0.00 C ATOM 1142 C VAL A 81 1.042 -15.027 2.714 1.00 0.00 C ATOM 1143 O VAL A 81 1.748 -14.819 1.726 1.00 0.00 O ATOM 1144 CB VAL A 81 2.710 -16.469 3.883 1.00 0.00 C ATOM 1145 CG1 VAL A 81 3.263 -15.215 4.543 1.00 0.00 C ATOM 1146 CG2 VAL A 81 2.914 -17.684 4.775 1.00 0.00 C ATOM 0 H VAL A 81 1.064 -17.600 1.919 1.00 0.00 H new ATOM 0 HA VAL A 81 0.654 -16.189 4.477 1.00 0.00 H new ATOM 0 HB VAL A 81 3.255 -16.633 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.319 -15.360 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.151 -14.368 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.716 -15.017 5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.974 -17.795 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.357 -17.552 5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.557 -18.577 4.261 1.00 0.00 H new ATOM 1156 N LEU A 82 0.097 -14.185 3.117 1.00 0.00 N ATOM 1157 CA LEU A 82 -0.172 -12.939 2.406 1.00 0.00 C ATOM 1158 C LEU A 82 0.684 -11.803 2.956 1.00 0.00 C ATOM 1159 O LEU A 82 0.712 -11.561 4.162 1.00 0.00 O ATOM 1160 CB LEU A 82 -1.654 -12.576 2.516 1.00 0.00 C ATOM 1161 CG LEU A 82 -2.028 -11.153 2.100 1.00 0.00 C ATOM 1162 CD1 LEU A 82 -1.932 -10.995 0.591 1.00 0.00 C ATOM 1163 CD2 LEU A 82 -3.428 -10.806 2.586 1.00 0.00 C ATOM 0 H LEU A 82 -0.496 -14.342 3.932 1.00 0.00 H new ATOM 0 HA LEU A 82 0.083 -13.086 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.225 -13.274 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.969 -12.726 3.549 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.322 -10.463 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.202 -9.976 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.912 -11.201 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.614 -11.695 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.678 -9.790 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.146 -11.502 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.464 -10.878 3.673 1.00 0.00 H new ATOM 1175 N ALA A 83 1.380 -11.107 2.063 1.00 0.00 N ATOM 1176 CA ALA A 83 2.233 -9.994 2.458 1.00 0.00 C ATOM 1177 C ALA A 83 1.810 -8.704 1.763 1.00 0.00 C ATOM 1178 O ALA A 83 1.893 -8.589 0.540 1.00 0.00 O ATOM 1179 CB ALA A 83 3.689 -10.309 2.148 1.00 0.00 C ATOM 0 H ALA A 83 1.369 -11.295 1.061 1.00 0.00 H new ATOM 0 HA ALA A 83 2.124 -9.849 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.315 -9.469 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.993 -11.201 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.804 -10.483 1.078 1.00 0.00 H new ATOM 1185 N VAL A 84 1.354 -7.735 2.551 1.00 0.00 N ATOM 1186 CA VAL A 84 0.918 -6.453 2.011 1.00 0.00 C ATOM 1187 C VAL A 84 1.720 -5.303 2.610 1.00 0.00 C ATOM 1188 O VAL A 84 1.708 -5.087 3.822 1.00 0.00 O ATOM 1189 CB VAL A 84 -0.580 -6.212 2.276 1.00 0.00 C ATOM 1190 CG1 VAL A 84 -1.042 -4.928 1.605 1.00 0.00 C ATOM 1191 CG2 VAL A 84 -1.402 -7.399 1.798 1.00 0.00 C ATOM 0 H VAL A 84 1.277 -7.814 3.565 1.00 0.00 H new ATOM 0 HA VAL A 84 1.088 -6.489 0.935 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.729 -6.105 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.103 -4.775 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.474 -4.086 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.881 -5.001 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.458 -7.212 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.250 -7.540 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.088 -8.297 2.330 1.00 0.00 H new ATOM 1201 N LYS A 85 2.417 -4.565 1.752 1.00 0.00 N ATOM 1202 CA LYS A 85 3.225 -3.435 2.195 1.00 0.00 C ATOM 1203 C LYS A 85 2.543 -2.113 1.855 1.00 0.00 C ATOM 1204 O LYS A 85 1.719 -2.045 0.942 1.00 0.00 O ATOM 1205 CB LYS A 85 4.611 -3.487 1.548 1.00 0.00 C ATOM 1206 CG LYS A 85 5.543 -4.500 2.189 1.00 0.00 C ATOM 1207 CD LYS A 85 6.944 -4.416 1.605 1.00 0.00 C ATOM 1208 CE LYS A 85 7.777 -3.354 2.306 1.00 0.00 C ATOM 1209 NZ LYS A 85 9.230 -3.509 2.017 1.00 0.00 N ATOM 0 H LYS A 85 2.438 -4.730 0.746 1.00 0.00 H new ATOM 0 HA LYS A 85 3.334 -3.500 3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.500 -3.726 0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.067 -2.499 1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.585 -4.328 3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.146 -5.505 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.436 -5.384 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.883 -4.188 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.447 -2.365 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.612 -3.415 3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.764 -2.767 2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.551 -4.443 2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.391 -3.426 0.993 1.00 0.00 H new ATOM 1223 N TRP A 86 2.892 -1.066 2.593 1.00 0.00 N ATOM 1224 CA TRP A 86 2.315 0.255 2.368 1.00 0.00 C ATOM 1225 C TRP A 86 3.394 1.331 2.385 1.00 0.00 C ATOM 1226 O TRP A 86 3.737 1.864 3.439 1.00 0.00 O ATOM 1227 CB TRP A 86 1.257 0.559 3.431 1.00 0.00 C ATOM 1228 CG TRP A 86 0.745 1.966 3.373 1.00 0.00 C ATOM 1229 CD1 TRP A 86 0.905 2.936 4.321 1.00 0.00 C ATOM 1230 CD2 TRP A 86 -0.012 2.560 2.312 1.00 0.00 C ATOM 1231 NE1 TRP A 86 0.293 4.097 3.913 1.00 0.00 N ATOM 1232 CE2 TRP A 86 -0.276 3.892 2.684 1.00 0.00 C ATOM 1233 CE3 TRP A 86 -0.491 2.096 1.084 1.00 0.00 C ATOM 1234 CZ2 TRP A 86 -0.998 4.763 1.872 1.00 0.00 C ATOM 1235 CZ3 TRP A 86 -1.208 2.960 0.279 1.00 0.00 C ATOM 1236 CH2 TRP A 86 -1.455 4.282 0.675 1.00 0.00 C ATOM 0 H TRP A 86 3.572 -1.105 3.353 1.00 0.00 H new ATOM 0 HA TRP A 86 1.844 0.256 1.385 1.00 0.00 H new ATOM 0 HB2 TRP A 86 0.421 -0.130 3.309 1.00 0.00 H new ATOM 0 HB3 TRP A 86 1.680 0.374 4.418 1.00 0.00 H new ATOM 0 HD1 TRP A 86 1.434 2.809 5.254 1.00 0.00 H new ATOM 0 HE1 TRP A 86 0.267 4.970 4.440 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.304 1.080 0.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.190 5.781 2.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.585 2.611 -0.671 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -2.017 4.934 0.023 1.00 0.00 H new ATOM 1247 N GLY A 87 3.927 1.647 1.208 1.00 0.00 N ATOM 1248 CA GLY A 87 4.962 2.660 1.110 1.00 0.00 C ATOM 1249 C GLY A 87 6.149 2.363 2.005 1.00 0.00 C ATOM 1250 O GLY A 87 6.371 3.050 3.001 1.00 0.00 O ATOM 0 H GLY A 87 3.660 1.220 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.299 2.732 0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.543 3.630 1.377 1.00 0.00 H new ATOM 1254 N GLU A 88 6.914 1.335 1.650 1.00 0.00 N ATOM 1255 CA GLU A 88 8.083 0.947 2.430 1.00 0.00 C ATOM 1256 C GLU A 88 7.688 0.585 3.859 1.00 0.00 C ATOM 1257 O GLU A 88 8.389 0.924 4.812 1.00 0.00 O ATOM 1258 CB GLU A 88 9.112 2.080 2.445 1.00 0.00 C ATOM 1259 CG GLU A 88 9.929 2.178 1.168 1.00 0.00 C ATOM 1260 CD GLU A 88 11.308 2.762 1.401 1.00 0.00 C ATOM 1261 OE1 GLU A 88 11.393 3.906 1.895 1.00 0.00 O ATOM 1262 OE2 GLU A 88 12.303 2.075 1.090 1.00 0.00 O ATOM 0 H GLU A 88 6.745 0.756 0.827 1.00 0.00 H new ATOM 0 HA GLU A 88 8.526 0.069 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.596 3.026 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.787 1.935 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.028 1.186 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.395 2.795 0.446 1.00 0.00 H new ATOM 1269 N GLU A 89 6.560 -0.104 3.998 1.00 0.00 N ATOM 1270 CA GLU A 89 6.071 -0.511 5.310 1.00 0.00 C ATOM 1271 C GLU A 89 5.224 -1.777 5.207 1.00 0.00 C ATOM 1272 O GLU A 89 5.023 -2.315 4.118 1.00 0.00 O ATOM 1273 CB GLU A 89 5.250 0.614 5.944 1.00 0.00 C ATOM 1274 CG GLU A 89 6.038 1.895 6.159 1.00 0.00 C ATOM 1275 CD GLU A 89 5.327 2.871 7.076 1.00 0.00 C ATOM 1276 OE1 GLU A 89 4.081 2.936 7.022 1.00 0.00 O ATOM 1277 OE2 GLU A 89 6.016 3.571 7.847 1.00 0.00 O ATOM 0 H GLU A 89 5.968 -0.392 3.219 1.00 0.00 H new ATOM 0 HA GLU A 89 6.934 -0.722 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.391 0.828 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.860 0.272 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.013 1.651 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.218 2.372 5.196 1.00 0.00 H new ATOM 1284 N HIS A 90 4.732 -2.247 6.349 1.00 0.00 N ATOM 1285 CA HIS A 90 3.907 -3.449 6.388 1.00 0.00 C ATOM 1286 C HIS A 90 2.639 -3.211 7.202 1.00 0.00 C ATOM 1287 O HIS A 90 2.700 -2.978 8.410 1.00 0.00 O ATOM 1288 CB HIS A 90 4.697 -4.616 6.981 1.00 0.00 C ATOM 1289 CG HIS A 90 5.626 -5.268 6.004 1.00 0.00 C ATOM 1290 ND1 HIS A 90 5.522 -6.593 5.636 1.00 0.00 N ATOM 1291 CD2 HIS A 90 6.680 -4.770 5.317 1.00 0.00 C ATOM 1292 CE1 HIS A 90 6.473 -6.882 4.766 1.00 0.00 C ATOM 1293 NE2 HIS A 90 7.190 -5.792 4.555 1.00 0.00 N ATOM 0 H HIS A 90 4.890 -1.814 7.259 1.00 0.00 H new ATOM 0 HA HIS A 90 3.620 -3.697 5.366 1.00 0.00 H new ATOM 0 HB2 HIS A 90 5.273 -4.258 7.834 1.00 0.00 H new ATOM 0 HB3 HIS A 90 3.998 -5.362 7.359 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.051 -3.757 5.360 1.00 0.00 H new ATOM 0 HE1 HIS A 90 6.637 -7.845 4.305 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.992 -5.721 3.928 1.00 0.00 H new ATOM 1301 N ILE A 91 1.492 -3.272 6.534 1.00 0.00 N ATOM 1302 CA ILE A 91 0.210 -3.064 7.196 1.00 0.00 C ATOM 1303 C ILE A 91 0.113 -3.886 8.476 1.00 0.00 C ATOM 1304 O ILE A 91 0.693 -4.966 8.596 1.00 0.00 O ATOM 1305 CB ILE A 91 -0.966 -3.432 6.273 1.00 0.00 C ATOM 1306 CG1 ILE A 91 -0.934 -4.924 5.939 1.00 0.00 C ATOM 1307 CG2 ILE A 91 -0.923 -2.598 5.001 1.00 0.00 C ATOM 1308 CD1 ILE A 91 -2.217 -5.433 5.319 1.00 0.00 C ATOM 0 H ILE A 91 1.424 -3.464 5.534 1.00 0.00 H new ATOM 0 HA ILE A 91 0.150 -2.004 7.442 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.898 -3.216 6.795 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.108 -5.117 5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.732 -5.488 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.761 -2.870 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.990 -1.541 5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.013 -2.785 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.122 -6.498 5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.044 -5.272 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.411 -4.896 4.391 1.00 0.00 H new ATOM 1320 N PRO A 92 -0.639 -3.366 9.458 1.00 0.00 N ATOM 1321 CA PRO A 92 -0.832 -4.037 10.747 1.00 0.00 C ATOM 1322 C PRO A 92 -1.687 -5.293 10.624 1.00 0.00 C ATOM 1323 O PRO A 92 -2.914 -5.218 10.570 1.00 0.00 O ATOM 1324 CB PRO A 92 -1.550 -2.982 11.592 1.00 0.00 C ATOM 1325 CG PRO A 92 -2.242 -2.110 10.601 1.00 0.00 C ATOM 1326 CD PRO A 92 -1.358 -2.084 9.385 1.00 0.00 C ATOM 0 HA PRO A 92 0.111 -4.376 11.175 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.260 -3.442 12.279 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.845 -2.412 12.197 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.229 -2.503 10.358 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.388 -1.106 10.999 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.940 -2.001 8.467 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.672 -1.237 9.405 1.00 0.00 H new ATOM 1334 N GLY A 93 -1.031 -6.449 10.582 1.00 0.00 N ATOM 1335 CA GLY A 93 -1.748 -7.705 10.466 1.00 0.00 C ATOM 1336 C GLY A 93 -1.012 -8.716 9.608 1.00 0.00 C ATOM 1337 O GLY A 93 -1.343 -9.902 9.613 1.00 0.00 O ATOM 0 H GLY A 93 -0.016 -6.538 10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.905 -8.123 11.460 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.733 -7.519 10.039 1.00 0.00 H new ATOM 1341 N SER A 94 -0.013 -8.246 8.868 1.00 0.00 N ATOM 1342 CA SER A 94 0.768 -9.116 7.997 1.00 0.00 C ATOM 1343 C SER A 94 2.080 -9.516 8.664 1.00 0.00 C ATOM 1344 O SER A 94 2.623 -8.799 9.504 1.00 0.00 O ATOM 1345 CB SER A 94 1.051 -8.418 6.665 1.00 0.00 C ATOM 1346 OG SER A 94 2.282 -8.852 6.114 1.00 0.00 O ATOM 0 H SER A 94 0.275 -7.267 8.854 1.00 0.00 H new ATOM 0 HA SER A 94 0.186 -10.019 7.809 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.242 -8.624 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.076 -7.339 6.814 1.00 0.00 H new ATOM 0 HG SER A 94 2.439 -8.393 5.263 1.00 0.00 H new ATOM 1352 N PRO A 95 2.603 -10.691 8.281 1.00 0.00 N ATOM 1353 CA PRO A 95 1.965 -11.553 7.282 1.00 0.00 C ATOM 1354 C PRO A 95 0.677 -12.184 7.798 1.00 0.00 C ATOM 1355 O PRO A 95 0.611 -12.640 8.940 1.00 0.00 O ATOM 1356 CB PRO A 95 3.020 -12.631 7.018 1.00 0.00 C ATOM 1357 CG PRO A 95 3.837 -12.674 8.263 1.00 0.00 C ATOM 1358 CD PRO A 95 3.857 -11.267 8.794 1.00 0.00 C ATOM 0 HA PRO A 95 1.672 -10.997 6.392 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.557 -13.597 6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.632 -12.382 6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.403 -13.360 8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.847 -13.027 8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.891 -11.249 9.883 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.727 -10.716 8.438 1.00 0.00 H new ATOM 1366 N PHE A 96 -0.346 -12.208 6.951 1.00 0.00 N ATOM 1367 CA PHE A 96 -1.634 -12.783 7.322 1.00 0.00 C ATOM 1368 C PHE A 96 -1.621 -14.299 7.154 1.00 0.00 C ATOM 1369 O PHE A 96 -0.866 -14.839 6.345 1.00 0.00 O ATOM 1370 CB PHE A 96 -2.752 -12.173 6.474 1.00 0.00 C ATOM 1371 CG PHE A 96 -3.264 -10.866 7.006 1.00 0.00 C ATOM 1372 CD1 PHE A 96 -2.693 -9.668 6.607 1.00 0.00 C ATOM 1373 CD2 PHE A 96 -4.317 -10.834 7.906 1.00 0.00 C ATOM 1374 CE1 PHE A 96 -3.162 -8.464 7.096 1.00 0.00 C ATOM 1375 CE2 PHE A 96 -4.791 -9.632 8.399 1.00 0.00 C ATOM 1376 CZ PHE A 96 -4.213 -8.445 7.992 1.00 0.00 C ATOM 0 H PHE A 96 -0.308 -11.836 6.002 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.818 -12.553 8.372 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -2.386 -12.024 5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.579 -12.881 6.414 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.872 -9.676 5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.773 -11.759 8.226 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.707 -7.538 6.778 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -5.612 -9.621 9.101 1.00 0.00 H new ATOM 0 HZ PHE A 96 -4.582 -7.504 8.374 1.00 0.00 H new ATOM 1386 N HIS A 97 -2.462 -14.981 7.925 1.00 0.00 N ATOM 1387 CA HIS A 97 -2.549 -16.436 7.862 1.00 0.00 C ATOM 1388 C HIS A 97 -3.810 -16.874 7.124 1.00 0.00 C ATOM 1389 O HIS A 97 -4.892 -16.938 7.706 1.00 0.00 O ATOM 1390 CB HIS A 97 -2.537 -17.030 9.271 1.00 0.00 C ATOM 1391 CG HIS A 97 -2.765 -18.509 9.299 1.00 0.00 C ATOM 1392 ND1 HIS A 97 -3.510 -19.137 10.276 1.00 0.00 N ATOM 1393 CD2 HIS A 97 -2.344 -19.486 8.463 1.00 0.00 C ATOM 1394 CE1 HIS A 97 -3.535 -20.437 10.039 1.00 0.00 C ATOM 1395 NE2 HIS A 97 -2.836 -20.675 8.944 1.00 0.00 N ATOM 0 H HIS A 97 -3.093 -14.550 8.601 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.682 -16.803 7.313 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.579 -16.809 9.741 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.306 -16.541 9.869 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.734 -19.355 7.581 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.041 -21.179 10.639 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -2.686 -21.592 8.524 1.00 0.00 H new ATOM 1403 N VAL A 98 -3.662 -17.174 5.837 1.00 0.00 N ATOM 1404 CA VAL A 98 -4.788 -17.606 5.019 1.00 0.00 C ATOM 1405 C VAL A 98 -4.931 -19.124 5.037 1.00 0.00 C ATOM 1406 O VAL A 98 -4.067 -19.847 4.538 1.00 0.00 O ATOM 1407 CB VAL A 98 -4.637 -17.134 3.561 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.639 -17.843 2.662 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -4.803 -15.624 3.470 1.00 0.00 C ATOM 0 H VAL A 98 -2.773 -17.126 5.339 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.682 -17.154 5.449 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.634 -17.389 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.516 -17.496 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.468 -18.919 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.651 -17.623 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.693 -15.308 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.792 -15.344 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.042 -15.137 4.080 1.00 0.00 H new ATOM 1419 N THR A 99 -6.027 -19.603 5.617 1.00 0.00 N ATOM 1420 CA THR A 99 -6.283 -21.036 5.701 1.00 0.00 C ATOM 1421 C THR A 99 -7.297 -21.476 4.652 1.00 0.00 C ATOM 1422 O THR A 99 -8.400 -20.934 4.573 1.00 0.00 O ATOM 1423 CB THR A 99 -6.801 -21.432 7.097 1.00 0.00 C ATOM 1424 OG1 THR A 99 -5.853 -21.047 8.099 1.00 0.00 O ATOM 1425 CG2 THR A 99 -7.049 -22.931 7.176 1.00 0.00 C ATOM 0 H THR A 99 -6.752 -19.020 6.036 1.00 0.00 H new ATOM 0 HA THR A 99 -5.333 -21.538 5.517 1.00 0.00 H new ATOM 0 HB THR A 99 -7.744 -20.913 7.271 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.945 -21.141 7.743 1.00 0.00 H new ATOM 0 HG21 THR A 99 -7.414 -23.187 8.170 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.792 -23.217 6.432 1.00 0.00 H new ATOM 0 HG23 THR A 99 -6.118 -23.464 6.983 1.00 0.00 H new ATOM 1433 N VAL A 100 -6.918 -22.463 3.846 1.00 0.00 N ATOM 1434 CA VAL A 100 -7.795 -22.977 2.801 1.00 0.00 C ATOM 1435 C VAL A 100 -8.250 -24.398 3.117 1.00 0.00 C ATOM 1436 O VAL A 100 -7.449 -25.278 3.428 1.00 0.00 O ATOM 1437 CB VAL A 100 -7.099 -22.966 1.428 1.00 0.00 C ATOM 1438 CG1 VAL A 100 -8.007 -23.564 0.364 1.00 0.00 C ATOM 1439 CG2 VAL A 100 -6.685 -21.551 1.052 1.00 0.00 C ATOM 0 H VAL A 100 -6.009 -22.923 3.897 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.663 -22.319 2.764 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.200 -23.579 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.498 -23.548 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.249 -24.593 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.925 -22.980 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.195 -21.562 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.568 -20.914 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.995 -21.162 1.801 1.00 0.00 H new ATOM 1449 N PRO A 101 -9.569 -24.628 3.034 1.00 0.00 N ATOM 1450 CA PRO A 101 -10.162 -25.941 3.306 1.00 0.00 C ATOM 1451 C PRO A 101 -9.816 -26.967 2.232 1.00 0.00 C ATOM 1452 O PRO A 101 -8.839 -27.706 2.357 1.00 0.00 O ATOM 1453 CB PRO A 101 -11.666 -25.658 3.309 1.00 0.00 C ATOM 1454 CG PRO A 101 -11.825 -24.447 2.457 1.00 0.00 C ATOM 1455 CD PRO A 101 -10.583 -23.625 2.668 1.00 0.00 C ATOM 0 HA PRO A 101 -9.793 -26.369 4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.228 -26.501 2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.034 -25.482 4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.938 -24.720 1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.716 -23.886 2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.303 -23.081 1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.720 -22.885 3.457 1.00 0.00 H new TER 1463 PRO A 101