USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 704 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 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 THR OG1 : rot 104:sc= 1.25 USER MOD Set 2.1: A 16 MET CE :methyl 171:sc= -0.259 (180deg=-0.39) USER MOD Set 2.2: A 24 GLN :FLIP amide:sc= -0.0602 F(o=-2,f=-0.32) USER MOD Set 3.1: A 19 TYR OH : rot 61:sc= 1.34 USER MOD Set 3.2: A 49 SER OG : rot 74:sc= 1.4 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0904 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -162:sc= -0.0716 (180deg=-0.458) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.058 (180deg=-0.329) USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= -0.0102 (180deg=-0.146) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -106:sc= 0.0574 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 170:sc= -0.0326 USER MOD Single : A 25 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 30 HIS : no HD1:sc= -0.562 X(o=-0.56,f=-0.61) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0147 (180deg=-0.185) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -0.0369 (180deg=-0.23) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 92:sc= 1.2 USER MOD Single : A 40 ASN : amide:sc= -0.144 K(o=-0.14,f=-3.4!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 82:sc= 1.04 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= 0.208 (180deg=-0.234) USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= -0.0133 (180deg=-0.133) USER MOD Single : A 54 THR OG1 : rot 14:sc= 0.706 USER MOD Single : A 55 MET CE :methyl 177:sc= -3.81! (180deg=-3.97!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0697 (180deg=-0.418) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= -0.969 (180deg=-0.969) USER MOD Single : A 68 LYS NZ :NH3+ 173:sc=-0.000657 (180deg=-0.079) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -116:sc= 0.224 USER MOD Single : A 78 MET CE :methyl -152:sc= 0 (180deg=-0.513) USER MOD Single : A 81 TYR OH : rot 90:sc= -2.2! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.920 16.562 26.895 1.00 52.53 N ATOM 2 CA GLY A 1 -4.790 15.651 26.630 1.00 24.21 C ATOM 3 C GLY A 1 -3.818 16.240 25.635 1.00 71.15 C ATOM 4 O GLY A 1 -3.827 17.449 25.394 1.00 64.31 O ATOM 0 H1 GLY A 1 -6.120 16.579 27.915 1.00 52.53 H new ATOM 0 H2 GLY A 1 -5.676 17.521 26.574 1.00 52.53 H new ATOM 0 H3 GLY A 1 -6.762 16.229 26.382 1.00 52.53 H new ATOM 0 HA2 GLY A 1 -4.270 15.436 27.563 1.00 24.21 H new ATOM 0 HA3 GLY A 1 -5.169 14.702 26.250 1.00 24.21 H new ATOM 10 N SER A 2 -2.984 15.397 25.051 1.00 52.10 N ATOM 11 CA SER A 2 -2.011 15.843 24.074 1.00 3.41 C ATOM 12 C SER A 2 -2.702 16.160 22.751 1.00 71.23 C ATOM 13 O SER A 2 -3.130 15.257 22.024 1.00 45.24 O ATOM 14 CB SER A 2 -0.936 14.771 23.881 1.00 63.41 C ATOM 15 OG SER A 2 -0.371 14.394 25.130 1.00 70.14 O ATOM 0 H SER A 2 -2.963 14.395 25.239 1.00 52.10 H new ATOM 0 HA SER A 2 -1.532 16.752 24.436 1.00 3.41 H new ATOM 0 HB2 SER A 2 -1.370 13.898 23.394 1.00 63.41 H new ATOM 0 HB3 SER A 2 -0.154 15.148 23.222 1.00 63.41 H new ATOM 0 HG SER A 2 0.313 13.707 24.986 1.00 70.14 H new ATOM 21 N HIS A 3 -2.828 17.438 22.453 1.00 62.35 N ATOM 22 CA HIS A 3 -3.511 17.873 21.253 1.00 1.41 C ATOM 23 C HIS A 3 -2.519 18.273 20.171 1.00 65.50 C ATOM 24 O HIS A 3 -1.965 19.370 20.197 1.00 51.20 O ATOM 25 CB HIS A 3 -4.453 19.042 21.570 1.00 73.42 C ATOM 26 CG HIS A 3 -5.339 19.438 20.426 1.00 42.21 C ATOM 27 ND1 HIS A 3 -5.157 20.587 19.691 1.00 23.41 N ATOM 28 CD2 HIS A 3 -6.428 18.829 19.900 1.00 41.10 C ATOM 29 CE1 HIS A 3 -6.092 20.668 18.766 1.00 1.03 C ATOM 30 NE2 HIS A 3 -6.876 19.613 18.871 1.00 54.44 N ATOM 0 H HIS A 3 -2.464 18.196 23.030 1.00 62.35 H new ATOM 0 HA HIS A 3 -4.100 17.036 20.878 1.00 1.41 H new ATOM 0 HB2 HIS A 3 -5.076 18.772 22.423 1.00 73.42 H new ATOM 0 HB3 HIS A 3 -3.858 19.904 21.871 1.00 73.42 H new ATOM 0 HD2 HIS A 3 -6.863 17.897 20.231 1.00 41.10 H new ATOM 0 HE1 HIS A 3 -6.198 21.464 18.044 1.00 1.03 H new ATOM 0 HE2 HIS A 3 -7.684 19.414 18.282 1.00 54.44 H new ATOM 39 N MET A 4 -2.291 17.377 19.235 1.00 12.04 N ATOM 40 CA MET A 4 -1.392 17.653 18.127 1.00 45.23 C ATOM 41 C MET A 4 -2.179 18.148 16.927 1.00 52.10 C ATOM 42 O MET A 4 -1.716 19.002 16.175 1.00 22.42 O ATOM 43 CB MET A 4 -0.578 16.410 17.760 1.00 75.20 C ATOM 44 CG MET A 4 0.415 15.984 18.831 1.00 31.31 C ATOM 45 SD MET A 4 1.687 17.229 19.143 1.00 40.24 S ATOM 46 CE MET A 4 2.549 17.239 17.567 1.00 64.21 C ATOM 0 H MET A 4 -2.715 16.449 19.216 1.00 12.04 H new ATOM 0 HA MET A 4 -0.695 18.432 18.436 1.00 45.23 H new ATOM 0 HB2 MET A 4 -1.262 15.585 17.564 1.00 75.20 H new ATOM 0 HB3 MET A 4 -0.037 16.603 16.833 1.00 75.20 H new ATOM 0 HG2 MET A 4 -0.122 15.780 19.757 1.00 31.31 H new ATOM 0 HG3 MET A 4 0.892 15.052 18.527 1.00 31.31 H new ATOM 0 HE1 MET A 4 3.529 17.699 17.691 1.00 64.21 H new ATOM 0 HE2 MET A 4 2.671 16.216 17.212 1.00 64.21 H new ATOM 0 HE3 MET A 4 1.971 17.808 16.840 1.00 64.21 H new ATOM 56 N GLY A 5 -3.377 17.618 16.762 1.00 74.23 N ATOM 57 CA GLY A 5 -4.224 18.026 15.666 1.00 12.41 C ATOM 58 C GLY A 5 -3.805 17.395 14.360 1.00 13.01 C ATOM 59 O GLY A 5 -3.336 16.253 14.336 1.00 13.20 O ATOM 0 H GLY A 5 -3.781 16.907 17.372 1.00 74.23 H new ATOM 0 HA2 GLY A 5 -5.256 17.753 15.885 1.00 12.41 H new ATOM 0 HA3 GLY A 5 -4.194 19.111 15.570 1.00 12.41 H new ATOM 63 N LYS A 6 -3.969 18.126 13.278 1.00 3.23 N ATOM 64 CA LYS A 6 -3.608 17.632 11.963 1.00 41.55 C ATOM 65 C LYS A 6 -2.509 18.476 11.351 1.00 3.13 C ATOM 66 O LYS A 6 -2.594 19.704 11.331 1.00 70.03 O ATOM 67 CB LYS A 6 -4.827 17.616 11.043 1.00 0.14 C ATOM 68 CG LYS A 6 -5.886 16.605 11.445 1.00 23.22 C ATOM 69 CD LYS A 6 -7.091 16.654 10.516 1.00 34.22 C ATOM 70 CE LYS A 6 -7.893 17.937 10.693 1.00 50.25 C ATOM 71 NZ LYS A 6 -8.465 18.051 12.059 1.00 44.43 N ATOM 0 H LYS A 6 -4.353 19.071 13.282 1.00 3.23 H new ATOM 0 HA LYS A 6 -3.239 16.613 12.078 1.00 41.55 H new ATOM 0 HB2 LYS A 6 -5.274 18.610 11.030 1.00 0.14 H new ATOM 0 HB3 LYS A 6 -4.500 17.400 10.026 1.00 0.14 H new ATOM 0 HG2 LYS A 6 -5.457 15.603 11.432 1.00 23.22 H new ATOM 0 HG3 LYS A 6 -6.207 16.801 12.468 1.00 23.22 H new ATOM 0 HD2 LYS A 6 -6.756 16.575 9.482 1.00 34.22 H new ATOM 0 HD3 LYS A 6 -7.733 15.795 10.709 1.00 34.22 H new ATOM 0 HE2 LYS A 6 -7.251 18.796 10.496 1.00 50.25 H new ATOM 0 HE3 LYS A 6 -8.698 17.965 9.959 1.00 50.25 H new ATOM 0 HZ1 LYS A 6 -9.222 18.764 12.060 1.00 44.43 H new ATOM 0 HZ2 LYS A 6 -8.855 17.132 12.350 1.00 44.43 H new ATOM 0 HZ3 LYS A 6 -7.719 18.337 12.725 1.00 44.43 H new ATOM 85 N GLY A 7 -1.485 17.818 10.857 1.00 5.30 N ATOM 86 CA GLY A 7 -0.382 18.509 10.236 1.00 42.11 C ATOM 87 C GLY A 7 0.090 17.797 8.994 1.00 24.33 C ATOM 88 O GLY A 7 1.289 17.607 8.791 1.00 74.45 O ATOM 0 H GLY A 7 -1.394 16.802 10.874 1.00 5.30 H new ATOM 0 HA2 GLY A 7 -0.685 19.524 9.981 1.00 42.11 H new ATOM 0 HA3 GLY A 7 0.442 18.591 10.945 1.00 42.11 H new ATOM 92 N ASP A 8 -0.851 17.384 8.164 1.00 63.44 N ATOM 93 CA ASP A 8 -0.523 16.680 6.932 1.00 54.03 C ATOM 94 C ASP A 8 -0.979 17.479 5.726 1.00 53.20 C ATOM 95 O ASP A 8 -2.119 17.961 5.686 1.00 73.15 O ATOM 96 CB ASP A 8 -1.165 15.285 6.903 1.00 4.54 C ATOM 97 CG ASP A 8 -0.655 14.377 7.999 1.00 13.03 C ATOM 98 OD1 ASP A 8 0.481 13.865 7.875 1.00 11.04 O ATOM 99 OD2 ASP A 8 -1.387 14.162 8.988 1.00 44.32 O ATOM 0 H ASP A 8 -1.850 17.523 8.319 1.00 63.44 H new ATOM 0 HA ASP A 8 0.560 16.563 6.895 1.00 54.03 H new ATOM 0 HB2 ASP A 8 -2.246 15.387 6.997 1.00 4.54 H new ATOM 0 HB3 ASP A 8 -0.971 14.822 5.936 1.00 4.54 H new ATOM 104 N PRO A 9 -0.098 17.650 4.733 1.00 3.22 N ATOM 105 CA PRO A 9 -0.424 18.376 3.515 1.00 1.31 C ATOM 106 C PRO A 9 -1.161 17.489 2.510 1.00 22.25 C ATOM 107 O PRO A 9 -1.400 16.307 2.766 1.00 4.03 O ATOM 108 CB PRO A 9 0.949 18.765 2.974 1.00 53.50 C ATOM 109 CG PRO A 9 1.845 17.654 3.409 1.00 34.03 C ATOM 110 CD PRO A 9 1.295 17.153 4.724 1.00 41.42 C ATOM 0 HA PRO A 9 -1.085 19.224 3.694 1.00 1.31 H new ATOM 0 HB2 PRO A 9 0.936 18.863 1.889 1.00 53.50 H new ATOM 0 HB3 PRO A 9 1.279 19.723 3.377 1.00 53.50 H new ATOM 0 HG2 PRO A 9 1.863 16.856 2.666 1.00 34.03 H new ATOM 0 HG3 PRO A 9 2.870 18.005 3.525 1.00 34.03 H new ATOM 0 HD2 PRO A 9 1.333 16.065 4.786 1.00 41.42 H new ATOM 0 HD3 PRO A 9 1.864 17.540 5.569 1.00 41.42 H new ATOM 118 N LYS A 10 -1.498 18.051 1.360 1.00 23.22 N ATOM 119 CA LYS A 10 -2.203 17.304 0.318 1.00 45.42 C ATOM 120 C LYS A 10 -1.235 16.489 -0.544 1.00 53.54 C ATOM 121 O LYS A 10 -1.506 16.212 -1.715 1.00 10.11 O ATOM 122 CB LYS A 10 -3.035 18.250 -0.552 1.00 11.51 C ATOM 123 CG LYS A 10 -4.187 18.916 0.189 1.00 3.53 C ATOM 124 CD LYS A 10 -5.139 17.882 0.772 1.00 33.05 C ATOM 125 CE LYS A 10 -6.308 18.534 1.490 1.00 51.45 C ATOM 126 NZ LYS A 10 -7.169 19.313 0.566 1.00 63.31 N ATOM 0 H LYS A 10 -1.297 19.022 1.120 1.00 23.22 H new ATOM 0 HA LYS A 10 -2.875 16.602 0.812 1.00 45.42 H new ATOM 0 HB2 LYS A 10 -2.382 19.023 -0.959 1.00 11.51 H new ATOM 0 HB3 LYS A 10 -3.435 17.692 -1.399 1.00 11.51 H new ATOM 0 HG2 LYS A 10 -3.794 19.543 0.989 1.00 3.53 H new ATOM 0 HG3 LYS A 10 -4.730 19.571 -0.492 1.00 3.53 H new ATOM 0 HD2 LYS A 10 -5.514 17.242 -0.027 1.00 33.05 H new ATOM 0 HD3 LYS A 10 -4.598 17.240 1.467 1.00 33.05 H new ATOM 0 HE2 LYS A 10 -6.906 17.765 1.980 1.00 51.45 H new ATOM 0 HE3 LYS A 10 -5.930 19.191 2.273 1.00 51.45 H new ATOM 0 HZ1 LYS A 10 -8.054 19.569 1.049 1.00 63.31 H new ATOM 0 HZ2 LYS A 10 -6.671 20.178 0.274 1.00 63.31 H new ATOM 0 HZ3 LYS A 10 -7.386 18.739 -0.273 1.00 63.31 H new ATOM 140 N LYS A 11 -0.123 16.093 0.050 1.00 72.14 N ATOM 141 CA LYS A 11 0.866 15.286 -0.631 1.00 11.33 C ATOM 142 C LYS A 11 0.842 13.859 -0.081 1.00 31.11 C ATOM 143 O LYS A 11 1.017 13.650 1.124 1.00 11.22 O ATOM 144 CB LYS A 11 2.267 15.887 -0.456 1.00 32.41 C ATOM 145 CG LYS A 11 3.366 15.085 -1.143 1.00 63.22 C ATOM 146 CD LYS A 11 4.748 15.608 -0.788 1.00 52.34 C ATOM 147 CE LYS A 11 5.840 14.759 -1.423 1.00 53.03 C ATOM 148 NZ LYS A 11 7.194 15.171 -0.977 1.00 72.34 N ATOM 0 H LYS A 11 0.116 16.322 1.015 1.00 72.14 H new ATOM 0 HA LYS A 11 0.625 15.267 -1.694 1.00 11.33 H new ATOM 0 HB2 LYS A 11 2.269 16.903 -0.851 1.00 32.41 H new ATOM 0 HB3 LYS A 11 2.492 15.958 0.608 1.00 32.41 H new ATOM 0 HG2 LYS A 11 3.288 14.037 -0.853 1.00 63.22 H new ATOM 0 HG3 LYS A 11 3.227 15.128 -2.223 1.00 63.22 H new ATOM 0 HD2 LYS A 11 4.846 16.640 -1.123 1.00 52.34 H new ATOM 0 HD3 LYS A 11 4.871 15.612 0.295 1.00 52.34 H new ATOM 0 HE2 LYS A 11 5.678 13.711 -1.170 1.00 53.03 H new ATOM 0 HE3 LYS A 11 5.776 14.838 -2.508 1.00 53.03 H new ATOM 0 HZ1 LYS A 11 7.908 14.568 -1.433 1.00 72.34 H new ATOM 0 HZ2 LYS A 11 7.359 16.163 -1.241 1.00 72.34 H new ATOM 0 HZ3 LYS A 11 7.265 15.071 0.056 1.00 72.34 H new ATOM 162 N PRO A 12 0.596 12.867 -0.950 1.00 54.44 N ATOM 163 CA PRO A 12 0.584 11.456 -0.551 1.00 53.23 C ATOM 164 C PRO A 12 2.003 10.925 -0.314 1.00 34.10 C ATOM 165 O PRO A 12 2.985 11.611 -0.599 1.00 2.43 O ATOM 166 CB PRO A 12 -0.058 10.761 -1.755 1.00 4.53 C ATOM 167 CG PRO A 12 0.265 11.636 -2.917 1.00 24.22 C ATOM 168 CD PRO A 12 0.311 13.043 -2.388 1.00 54.42 C ATOM 0 HA PRO A 12 0.051 11.288 0.385 1.00 53.23 H new ATOM 0 HB2 PRO A 12 0.343 9.757 -1.892 1.00 4.53 H new ATOM 0 HB3 PRO A 12 -1.135 10.659 -1.624 1.00 4.53 H new ATOM 0 HG2 PRO A 12 1.221 11.356 -3.360 1.00 24.22 H new ATOM 0 HG3 PRO A 12 -0.489 11.539 -3.698 1.00 24.22 H new ATOM 0 HD2 PRO A 12 1.085 13.631 -2.881 1.00 54.42 H new ATOM 0 HD3 PRO A 12 -0.634 13.562 -2.548 1.00 54.42 H new ATOM 176 N ARG A 13 2.109 9.702 0.194 1.00 44.12 N ATOM 177 CA ARG A 13 3.418 9.116 0.479 1.00 21.33 C ATOM 178 C ARG A 13 3.885 8.233 -0.672 1.00 10.25 C ATOM 179 O ARG A 13 4.815 7.439 -0.529 1.00 53.15 O ATOM 180 CB ARG A 13 3.403 8.326 1.796 1.00 25.03 C ATOM 181 CG ARG A 13 2.493 7.109 1.804 1.00 33.12 C ATOM 182 CD ARG A 13 2.610 6.354 3.118 1.00 71.32 C ATOM 183 NE ARG A 13 1.748 5.170 3.168 1.00 23.40 N ATOM 184 CZ ARG A 13 1.522 4.454 4.283 1.00 73.42 C ATOM 185 NH1 ARG A 13 2.107 4.801 5.427 1.00 62.35 N ATOM 186 NH2 ARG A 13 0.724 3.390 4.247 1.00 35.34 N ATOM 0 H ARG A 13 1.315 9.101 0.416 1.00 44.12 H new ATOM 0 HA ARG A 13 4.127 9.937 0.589 1.00 21.33 H new ATOM 0 HB2 ARG A 13 4.420 8.002 2.020 1.00 25.03 H new ATOM 0 HB3 ARG A 13 3.097 8.995 2.600 1.00 25.03 H new ATOM 0 HG2 ARG A 13 1.460 7.421 1.650 1.00 33.12 H new ATOM 0 HG3 ARG A 13 2.754 6.449 0.976 1.00 33.12 H new ATOM 0 HD2 ARG A 13 3.646 6.051 3.267 1.00 71.32 H new ATOM 0 HD3 ARG A 13 2.352 7.021 3.940 1.00 71.32 H new ATOM 0 HE ARG A 13 1.292 4.871 2.306 1.00 23.40 H new ATOM 0 HH11 ARG A 13 2.727 5.610 5.458 1.00 62.35 H new ATOM 0 HH12 ARG A 13 1.935 4.258 6.273 1.00 62.35 H new ATOM 0 HH21 ARG A 13 0.281 3.114 3.371 1.00 35.34 H new ATOM 0 HH22 ARG A 13 0.556 2.850 5.096 1.00 35.34 H new ATOM 200 N GLY A 14 3.244 8.388 -1.816 1.00 63.11 N ATOM 201 CA GLY A 14 3.627 7.631 -2.981 1.00 64.43 C ATOM 202 C GLY A 14 2.659 6.502 -3.259 1.00 21.11 C ATOM 203 O GLY A 14 1.456 6.632 -3.013 1.00 0.11 O ATOM 0 H GLY A 14 2.462 9.028 -1.958 1.00 63.11 H new ATOM 0 HA2 GLY A 14 3.672 8.293 -3.846 1.00 64.43 H new ATOM 0 HA3 GLY A 14 4.628 7.225 -2.838 1.00 64.43 H new ATOM 207 N LYS A 15 3.174 5.403 -3.766 1.00 70.34 N ATOM 208 CA LYS A 15 2.359 4.230 -4.055 1.00 13.22 C ATOM 209 C LYS A 15 2.486 3.218 -2.913 1.00 11.40 C ATOM 210 O LYS A 15 2.837 3.599 -1.788 1.00 35.31 O ATOM 211 CB LYS A 15 2.752 3.623 -5.427 1.00 72.25 C ATOM 212 CG LYS A 15 4.257 3.554 -5.719 1.00 63.41 C ATOM 213 CD LYS A 15 4.948 2.508 -4.872 1.00 13.22 C ATOM 214 CE LYS A 15 6.404 2.343 -5.248 1.00 45.33 C ATOM 215 NZ LYS A 15 7.053 1.274 -4.450 1.00 30.22 N ATOM 0 H LYS A 15 4.163 5.291 -3.990 1.00 70.34 H new ATOM 0 HA LYS A 15 1.310 4.520 -4.125 1.00 13.22 H new ATOM 0 HB2 LYS A 15 2.342 2.615 -5.488 1.00 72.25 H new ATOM 0 HB3 LYS A 15 2.275 4.209 -6.213 1.00 72.25 H new ATOM 0 HG2 LYS A 15 4.412 3.328 -6.774 1.00 63.41 H new ATOM 0 HG3 LYS A 15 4.708 4.529 -5.532 1.00 63.41 H new ATOM 0 HD2 LYS A 15 4.875 2.787 -3.821 1.00 13.22 H new ATOM 0 HD3 LYS A 15 4.434 1.553 -4.985 1.00 13.22 H new ATOM 0 HE2 LYS A 15 6.482 2.105 -6.309 1.00 45.33 H new ATOM 0 HE3 LYS A 15 6.930 3.285 -5.093 1.00 45.33 H new ATOM 0 HZ1 LYS A 15 7.679 1.703 -3.739 1.00 30.22 H new ATOM 0 HZ2 LYS A 15 6.324 0.706 -3.973 1.00 30.22 H new ATOM 0 HZ3 LYS A 15 7.612 0.662 -5.079 1.00 30.22 H new ATOM 229 N MET A 16 2.195 1.939 -3.166 1.00 62.54 N ATOM 230 CA MET A 16 2.313 0.902 -2.151 1.00 50.41 C ATOM 231 C MET A 16 3.633 0.159 -2.311 1.00 65.21 C ATOM 232 O MET A 16 4.203 0.113 -3.399 1.00 70.33 O ATOM 233 CB MET A 16 1.157 -0.099 -2.286 1.00 44.32 C ATOM 234 CG MET A 16 -0.225 0.508 -2.110 1.00 43.13 C ATOM 235 SD MET A 16 -1.557 -0.617 -2.604 1.00 12.42 S ATOM 236 CE MET A 16 -1.228 -2.029 -1.554 1.00 62.11 C ATOM 0 H MET A 16 1.874 1.601 -4.073 1.00 62.54 H new ATOM 0 HA MET A 16 2.277 1.374 -1.169 1.00 50.41 H new ATOM 0 HB2 MET A 16 1.212 -0.568 -3.268 1.00 44.32 H new ATOM 0 HB3 MET A 16 1.290 -0.890 -1.548 1.00 44.32 H new ATOM 0 HG2 MET A 16 -0.362 0.790 -1.066 1.00 43.13 H new ATOM 0 HG3 MET A 16 -0.292 1.423 -2.698 1.00 43.13 H new ATOM 0 HE1 MET A 16 -2.054 -2.737 -1.627 1.00 62.11 H new ATOM 0 HE2 MET A 16 -0.305 -2.513 -1.874 1.00 62.11 H new ATOM 0 HE3 MET A 16 -1.125 -1.698 -0.521 1.00 62.11 H new ATOM 246 N SER A 17 4.113 -0.430 -1.244 1.00 44.30 N ATOM 247 CA SER A 17 5.329 -1.207 -1.305 1.00 52.24 C ATOM 248 C SER A 17 5.022 -2.586 -1.868 1.00 40.24 C ATOM 249 O SER A 17 3.884 -3.050 -1.778 1.00 41.23 O ATOM 250 CB SER A 17 5.933 -1.324 0.085 1.00 13.20 C ATOM 251 OG SER A 17 6.027 -0.046 0.703 1.00 3.54 O ATOM 0 H SER A 17 3.681 -0.387 -0.321 1.00 44.30 H new ATOM 0 HA SER A 17 6.048 -0.711 -1.957 1.00 52.24 H new ATOM 0 HB2 SER A 17 5.321 -1.986 0.698 1.00 13.20 H new ATOM 0 HB3 SER A 17 6.923 -1.775 0.020 1.00 13.20 H new ATOM 0 HG SER A 17 6.416 -0.143 1.597 1.00 3.54 H new ATOM 257 N SER A 18 6.019 -3.237 -2.453 1.00 25.14 N ATOM 258 CA SER A 18 5.878 -4.560 -3.035 1.00 35.50 C ATOM 259 C SER A 18 5.277 -5.560 -2.044 1.00 55.44 C ATOM 260 O SER A 18 4.457 -6.400 -2.421 1.00 43.23 O ATOM 261 CB SER A 18 7.239 -5.039 -3.513 1.00 50.11 C ATOM 262 OG SER A 18 7.876 -4.043 -4.303 1.00 12.24 O ATOM 0 H SER A 18 6.960 -2.853 -2.536 1.00 25.14 H new ATOM 0 HA SER A 18 5.189 -4.494 -3.877 1.00 35.50 H new ATOM 0 HB2 SER A 18 7.865 -5.284 -2.655 1.00 50.11 H new ATOM 0 HB3 SER A 18 7.124 -5.953 -4.096 1.00 50.11 H new ATOM 0 HG SER A 18 8.807 -4.301 -4.465 1.00 12.24 H new ATOM 268 N TYR A 19 5.683 -5.464 -0.780 1.00 11.34 N ATOM 269 CA TYR A 19 5.156 -6.343 0.252 1.00 54.40 C ATOM 270 C TYR A 19 3.648 -6.159 0.402 1.00 31.23 C ATOM 271 O TYR A 19 2.917 -7.123 0.609 1.00 63.01 O ATOM 272 CB TYR A 19 5.860 -6.106 1.594 1.00 12.52 C ATOM 273 CG TYR A 19 5.234 -6.871 2.742 1.00 45.25 C ATOM 274 CD1 TYR A 19 5.288 -8.260 2.790 1.00 32.00 C ATOM 275 CD2 TYR A 19 4.575 -6.205 3.767 1.00 63.12 C ATOM 276 CE1 TYR A 19 4.699 -8.960 3.825 1.00 3.21 C ATOM 277 CE2 TYR A 19 3.989 -6.898 4.807 1.00 42.11 C ATOM 278 CZ TYR A 19 4.051 -8.274 4.830 1.00 50.15 C ATOM 279 OH TYR A 19 3.458 -8.968 5.861 1.00 25.21 O ATOM 0 H TYR A 19 6.372 -4.788 -0.450 1.00 11.34 H new ATOM 0 HA TYR A 19 5.351 -7.370 -0.056 1.00 54.40 H new ATOM 0 HB2 TYR A 19 6.907 -6.394 1.503 1.00 12.52 H new ATOM 0 HB3 TYR A 19 5.841 -5.041 1.823 1.00 12.52 H new ATOM 0 HD1 TYR A 19 5.798 -8.800 2.006 1.00 32.00 H new ATOM 0 HD2 TYR A 19 4.520 -5.127 3.750 1.00 63.12 H new ATOM 0 HE1 TYR A 19 4.746 -10.039 3.847 1.00 3.21 H new ATOM 0 HE2 TYR A 19 3.484 -6.364 5.599 1.00 42.11 H new ATOM 0 HH TYR A 19 4.138 -9.488 6.339 1.00 25.21 H new ATOM 289 N ALA A 20 3.187 -4.921 0.270 1.00 2.24 N ATOM 290 CA ALA A 20 1.769 -4.620 0.381 1.00 0.25 C ATOM 291 C ALA A 20 1.001 -5.296 -0.744 1.00 33.10 C ATOM 292 O ALA A 20 -0.071 -5.857 -0.526 1.00 63.11 O ATOM 293 CB ALA A 20 1.538 -3.121 0.367 1.00 63.44 C ATOM 0 H ALA A 20 3.777 -4.110 0.086 1.00 2.24 H new ATOM 0 HA ALA A 20 1.403 -5.008 1.332 1.00 0.25 H new ATOM 0 HB1 ALA A 20 0.471 -2.917 0.451 1.00 63.44 H new ATOM 0 HB2 ALA A 20 2.062 -2.664 1.206 1.00 63.44 H new ATOM 0 HB3 ALA A 20 1.915 -2.703 -0.567 1.00 63.44 H new ATOM 299 N PHE A 21 1.544 -5.225 -1.958 1.00 64.31 N ATOM 300 CA PHE A 21 0.958 -5.926 -3.099 1.00 44.31 C ATOM 301 C PHE A 21 0.881 -7.428 -2.844 1.00 15.24 C ATOM 302 O PHE A 21 0.003 -8.114 -3.365 1.00 65.02 O ATOM 303 CB PHE A 21 1.743 -5.644 -4.375 1.00 33.12 C ATOM 304 CG PHE A 21 1.563 -4.250 -4.888 1.00 70.51 C ATOM 305 CD1 PHE A 21 0.481 -3.932 -5.690 1.00 73.01 C ATOM 306 CD2 PHE A 21 2.468 -3.258 -4.568 1.00 44.02 C ATOM 307 CE1 PHE A 21 0.306 -2.650 -6.162 1.00 64.14 C ATOM 308 CE2 PHE A 21 2.300 -1.975 -5.038 1.00 54.12 C ATOM 309 CZ PHE A 21 1.217 -1.671 -5.834 1.00 44.10 C ATOM 0 H PHE A 21 2.385 -4.691 -2.177 1.00 64.31 H new ATOM 0 HA PHE A 21 -0.057 -5.551 -3.229 1.00 44.31 H new ATOM 0 HB2 PHE A 21 2.802 -5.820 -4.187 1.00 33.12 H new ATOM 0 HB3 PHE A 21 1.434 -6.350 -5.146 1.00 33.12 H new ATOM 0 HD1 PHE A 21 -0.235 -4.698 -5.949 1.00 73.01 H new ATOM 0 HD2 PHE A 21 3.317 -3.491 -3.942 1.00 44.02 H new ATOM 0 HE1 PHE A 21 -0.542 -2.414 -6.787 1.00 64.14 H new ATOM 0 HE2 PHE A 21 3.016 -1.208 -4.783 1.00 54.12 H new ATOM 0 HZ PHE A 21 1.083 -0.664 -6.201 1.00 44.10 H new ATOM 319 N PHE A 22 1.793 -7.942 -2.046 1.00 21.53 N ATOM 320 CA PHE A 22 1.744 -9.337 -1.686 1.00 11.31 C ATOM 321 C PHE A 22 0.681 -9.554 -0.611 1.00 63.53 C ATOM 322 O PHE A 22 -0.004 -10.571 -0.598 1.00 1.32 O ATOM 323 CB PHE A 22 3.103 -9.843 -1.216 1.00 21.34 C ATOM 324 CG PHE A 22 3.082 -11.292 -0.839 1.00 40.44 C ATOM 325 CD1 PHE A 22 2.670 -12.252 -1.752 1.00 72.41 C ATOM 326 CD2 PHE A 22 3.457 -11.695 0.423 1.00 53.20 C ATOM 327 CE1 PHE A 22 2.636 -13.584 -1.407 1.00 31.30 C ATOM 328 CE2 PHE A 22 3.427 -13.025 0.771 1.00 54.33 C ATOM 329 CZ PHE A 22 3.015 -13.971 -0.142 1.00 30.23 C ATOM 0 H PHE A 22 2.568 -7.419 -1.640 1.00 21.53 H new ATOM 0 HA PHE A 22 1.477 -9.911 -2.573 1.00 11.31 H new ATOM 0 HB2 PHE A 22 3.837 -9.688 -2.007 1.00 21.34 H new ATOM 0 HB3 PHE A 22 3.429 -9.254 -0.359 1.00 21.34 H new ATOM 0 HD1 PHE A 22 2.372 -11.950 -2.745 1.00 72.41 H new ATOM 0 HD2 PHE A 22 3.778 -10.960 1.146 1.00 53.20 H new ATOM 0 HE1 PHE A 22 2.313 -14.322 -2.126 1.00 31.30 H new ATOM 0 HE2 PHE A 22 3.727 -13.329 1.763 1.00 54.33 H new ATOM 0 HZ PHE A 22 2.990 -15.015 0.135 1.00 30.23 H new ATOM 339 N VAL A 23 0.544 -8.575 0.278 1.00 70.32 N ATOM 340 CA VAL A 23 -0.472 -8.604 1.328 1.00 5.54 C ATOM 341 C VAL A 23 -1.867 -8.739 0.714 1.00 35.44 C ATOM 342 O VAL A 23 -2.714 -9.468 1.222 1.00 31.14 O ATOM 343 CB VAL A 23 -0.407 -7.317 2.204 1.00 33.05 C ATOM 344 CG1 VAL A 23 -1.615 -7.201 3.121 1.00 41.30 C ATOM 345 CG2 VAL A 23 0.873 -7.297 3.020 1.00 14.22 C ATOM 0 H VAL A 23 1.131 -7.741 0.292 1.00 70.32 H new ATOM 0 HA VAL A 23 -0.273 -9.467 1.963 1.00 5.54 H new ATOM 0 HB VAL A 23 -0.415 -6.460 1.531 1.00 33.05 H new ATOM 0 HG11 VAL A 23 -1.534 -6.291 3.716 1.00 41.30 H new ATOM 0 HG12 VAL A 23 -2.525 -7.163 2.522 1.00 41.30 H new ATOM 0 HG13 VAL A 23 -1.653 -8.066 3.784 1.00 41.30 H new ATOM 0 HG21 VAL A 23 0.904 -6.392 3.627 1.00 14.22 H new ATOM 0 HG22 VAL A 23 0.903 -8.171 3.671 1.00 14.22 H new ATOM 0 HG23 VAL A 23 1.732 -7.314 2.350 1.00 14.22 H new ATOM 355 N GLN A 24 -2.066 -8.081 -0.413 1.00 44.45 N ATOM 356 CA GLN A 24 -3.367 -8.129 -1.059 1.00 13.20 C ATOM 357 C GLN A 24 -3.517 -9.440 -1.837 1.00 54.53 C ATOM 358 O GLN A 24 -4.584 -10.059 -1.828 1.00 31.01 O ATOM 359 CB GLN A 24 -3.598 -6.905 -1.963 1.00 24.21 C ATOM 360 CG GLN A 24 -2.592 -6.755 -3.088 1.00 21.05 C ATOM 361 CD GLN A 24 -2.786 -5.489 -3.898 1.00 73.04 C ATOM 362 OE1 GLN A 24 -3.274 -4.442 -3.260 1.00 15.12 O flip ATOM 363 NE2 GLN A 24 -2.489 -5.451 -5.088 1.00 63.11 N flip ATOM 0 H GLN A 24 -1.363 -7.519 -0.892 1.00 44.45 H new ATOM 0 HA GLN A 24 -4.135 -8.096 -0.286 1.00 13.20 H new ATOM 0 HB2 GLN A 24 -4.598 -6.970 -2.393 1.00 24.21 H new ATOM 0 HB3 GLN A 24 -3.573 -6.005 -1.348 1.00 24.21 H new ATOM 0 HG2 GLN A 24 -1.585 -6.760 -2.670 1.00 21.05 H new ATOM 0 HG3 GLN A 24 -2.666 -7.617 -3.750 1.00 21.05 H new ATOM 0 HE21 GLN A 24 -2.114 -6.281 -5.547 1.00 63.11 H new ATOM 0 HE22 GLN A 24 -2.617 -4.589 -5.618 1.00 63.11 H new ATOM 372 N THR A 25 -2.424 -9.884 -2.468 1.00 52.44 N ATOM 373 CA THR A 25 -2.389 -11.130 -3.231 1.00 64.33 C ATOM 374 C THR A 25 -2.481 -12.353 -2.294 1.00 61.05 C ATOM 375 O THR A 25 -2.748 -13.472 -2.729 1.00 45.45 O ATOM 376 CB THR A 25 -1.088 -11.212 -4.074 1.00 13.23 C ATOM 377 OG1 THR A 25 -0.979 -10.050 -4.913 1.00 24.42 O ATOM 378 CG2 THR A 25 -1.069 -12.457 -4.947 1.00 52.44 C ATOM 0 H THR A 25 -1.535 -9.384 -2.462 1.00 52.44 H new ATOM 0 HA THR A 25 -3.250 -11.138 -3.900 1.00 64.33 H new ATOM 0 HB THR A 25 -0.246 -11.260 -3.384 1.00 13.23 H new ATOM 0 HG1 THR A 25 -0.607 -9.306 -4.395 1.00 24.42 H new ATOM 0 HG21 THR A 25 -0.144 -12.483 -5.524 1.00 52.44 H new ATOM 0 HG22 THR A 25 -1.129 -13.344 -4.317 1.00 52.44 H new ATOM 0 HG23 THR A 25 -1.920 -12.437 -5.627 1.00 52.44 H new ATOM 386 N CYS A 26 -2.310 -12.123 -1.018 1.00 14.04 N ATOM 387 CA CYS A 26 -2.357 -13.191 -0.036 1.00 14.32 C ATOM 388 C CYS A 26 -3.743 -13.257 0.593 1.00 31.44 C ATOM 389 O CYS A 26 -4.124 -14.255 1.203 1.00 32.54 O ATOM 390 CB CYS A 26 -1.278 -12.911 1.031 1.00 54.31 C ATOM 391 SG CYS A 26 -1.074 -14.177 2.325 1.00 3.12 S ATOM 0 H CYS A 26 -2.135 -11.198 -0.625 1.00 14.04 H new ATOM 0 HA CYS A 26 -2.161 -14.154 -0.507 1.00 14.32 H new ATOM 0 HB2 CYS A 26 -0.321 -12.782 0.525 1.00 54.31 H new ATOM 0 HB3 CYS A 26 -1.513 -11.963 1.514 1.00 54.31 H new ATOM 396 N ARG A 27 -4.498 -12.186 0.412 1.00 31.34 N ATOM 397 CA ARG A 27 -5.830 -12.079 0.980 1.00 52.02 C ATOM 398 C ARG A 27 -6.887 -12.586 0.026 1.00 61.32 C ATOM 399 O ARG A 27 -7.694 -13.432 0.394 1.00 72.33 O ATOM 400 CB ARG A 27 -6.143 -10.638 1.381 1.00 62.30 C ATOM 401 CG ARG A 27 -5.909 -10.337 2.852 1.00 3.21 C ATOM 402 CD ARG A 27 -4.493 -10.670 3.275 1.00 45.12 C ATOM 403 NE ARG A 27 -4.219 -10.258 4.646 1.00 23.35 N ATOM 404 CZ ARG A 27 -3.005 -9.976 5.113 1.00 45.42 C ATOM 405 NH1 ARG A 27 -1.938 -10.140 4.339 1.00 60.45 N ATOM 406 NH2 ARG A 27 -2.857 -9.554 6.358 1.00 31.25 N ATOM 0 H ARG A 27 -4.207 -11.372 -0.129 1.00 31.34 H new ATOM 0 HA ARG A 27 -5.845 -12.705 1.872 1.00 52.02 H new ATOM 0 HB2 ARG A 27 -5.530 -9.965 0.782 1.00 62.30 H new ATOM 0 HB3 ARG A 27 -7.184 -10.423 1.139 1.00 62.30 H new ATOM 0 HG2 ARG A 27 -6.107 -9.282 3.043 1.00 3.21 H new ATOM 0 HG3 ARG A 27 -6.613 -10.909 3.457 1.00 3.21 H new ATOM 0 HD2 ARG A 27 -4.330 -11.744 3.180 1.00 45.12 H new ATOM 0 HD3 ARG A 27 -3.789 -10.180 2.602 1.00 45.12 H new ATOM 0 HE ARG A 27 -5.008 -10.181 5.288 1.00 23.35 H new ATOM 0 HH11 ARG A 27 -2.048 -10.483 3.385 1.00 60.45 H new ATOM 0 HH12 ARG A 27 -1.009 -9.923 4.699 1.00 60.45 H new ATOM 0 HH21 ARG A 27 -3.673 -9.445 6.960 1.00 31.25 H new ATOM 0 HH22 ARG A 27 -1.927 -9.338 6.716 1.00 31.25 H new ATOM 420 N GLU A 28 -6.866 -12.076 -1.206 1.00 33.22 N ATOM 421 CA GLU A 28 -7.881 -12.410 -2.205 1.00 62.33 C ATOM 422 C GLU A 28 -8.128 -13.921 -2.336 1.00 4.32 C ATOM 423 O GLU A 28 -9.228 -14.393 -2.046 1.00 25.03 O ATOM 424 CB GLU A 28 -7.554 -11.775 -3.570 1.00 12.52 C ATOM 425 CG GLU A 28 -6.119 -11.966 -4.041 1.00 33.54 C ATOM 426 CD GLU A 28 -5.894 -11.419 -5.434 1.00 4.13 C ATOM 427 OE1 GLU A 28 -5.674 -10.194 -5.577 1.00 42.11 O ATOM 428 OE2 GLU A 28 -5.955 -12.211 -6.401 1.00 65.13 O ATOM 0 H GLU A 28 -6.153 -11.426 -1.537 1.00 33.22 H new ATOM 0 HA GLU A 28 -8.815 -11.980 -1.844 1.00 62.33 H new ATOM 0 HB2 GLU A 28 -8.225 -12.195 -4.319 1.00 12.52 H new ATOM 0 HB3 GLU A 28 -7.764 -10.707 -3.517 1.00 12.52 H new ATOM 0 HG2 GLU A 28 -5.442 -11.471 -3.345 1.00 33.54 H new ATOM 0 HG3 GLU A 28 -5.872 -13.028 -4.026 1.00 33.54 H new ATOM 435 N GLU A 29 -7.110 -14.671 -2.761 1.00 73.32 N ATOM 436 CA GLU A 29 -7.225 -16.118 -2.956 1.00 55.10 C ATOM 437 C GLU A 29 -7.710 -16.830 -1.692 1.00 64.23 C ATOM 438 O GLU A 29 -8.666 -17.607 -1.729 1.00 63.23 O ATOM 439 CB GLU A 29 -5.870 -16.701 -3.350 1.00 60.45 C ATOM 440 CG GLU A 29 -5.271 -16.134 -4.624 1.00 75.31 C ATOM 441 CD GLU A 29 -3.908 -16.721 -4.912 1.00 35.14 C ATOM 442 OE1 GLU A 29 -3.815 -17.956 -5.090 1.00 41.34 O ATOM 443 OE2 GLU A 29 -2.920 -15.962 -4.933 1.00 55.50 O ATOM 0 H GLU A 29 -6.187 -14.295 -2.979 1.00 73.32 H new ATOM 0 HA GLU A 29 -7.957 -16.277 -3.748 1.00 55.10 H new ATOM 0 HB2 GLU A 29 -5.169 -16.535 -2.532 1.00 60.45 H new ATOM 0 HB3 GLU A 29 -5.976 -17.780 -3.465 1.00 60.45 H new ATOM 0 HG2 GLU A 29 -5.939 -16.337 -5.461 1.00 75.31 H new ATOM 0 HG3 GLU A 29 -5.189 -15.051 -4.537 1.00 75.31 H new ATOM 450 N HIS A 30 -7.063 -16.532 -0.577 1.00 75.14 N ATOM 451 CA HIS A 30 -7.335 -17.226 0.679 1.00 43.44 C ATOM 452 C HIS A 30 -8.737 -16.922 1.200 1.00 41.33 C ATOM 453 O HIS A 30 -9.416 -17.805 1.731 1.00 2.31 O ATOM 454 CB HIS A 30 -6.287 -16.855 1.731 1.00 12.14 C ATOM 455 CG HIS A 30 -6.254 -17.780 2.918 1.00 2.50 C ATOM 456 ND1 HIS A 30 -5.257 -18.710 3.117 1.00 70.24 N ATOM 457 CD2 HIS A 30 -7.089 -17.900 3.979 1.00 13.03 C ATOM 458 CE1 HIS A 30 -5.480 -19.361 4.243 1.00 53.01 C ATOM 459 NE2 HIS A 30 -6.584 -18.888 4.785 1.00 53.23 N ATOM 0 H HIS A 30 -6.343 -15.812 -0.512 1.00 75.14 H new ATOM 0 HA HIS A 30 -7.279 -18.297 0.482 1.00 43.44 H new ATOM 0 HB2 HIS A 30 -5.303 -16.848 1.262 1.00 12.14 H new ATOM 0 HB3 HIS A 30 -6.481 -15.841 2.080 1.00 12.14 H new ATOM 0 HD2 HIS A 30 -7.985 -17.324 4.157 1.00 13.03 H new ATOM 0 HE1 HIS A 30 -4.863 -20.148 4.651 1.00 53.01 H new ATOM 0 HE2 HIS A 30 -6.996 -19.205 5.662 1.00 53.23 H new ATOM 468 N LYS A 31 -9.168 -15.680 1.045 1.00 64.54 N ATOM 469 CA LYS A 31 -10.474 -15.265 1.525 1.00 41.23 C ATOM 470 C LYS A 31 -11.582 -15.884 0.676 1.00 54.33 C ATOM 471 O LYS A 31 -12.656 -16.200 1.177 1.00 53.41 O ATOM 472 CB LYS A 31 -10.584 -13.734 1.526 1.00 73.34 C ATOM 473 CG LYS A 31 -11.800 -13.191 2.263 1.00 24.20 C ATOM 474 CD LYS A 31 -11.766 -13.551 3.742 1.00 14.42 C ATOM 475 CE LYS A 31 -12.962 -12.977 4.489 1.00 54.11 C ATOM 476 NZ LYS A 31 -12.982 -11.492 4.461 1.00 20.12 N ATOM 0 H LYS A 31 -8.631 -14.942 0.590 1.00 64.54 H new ATOM 0 HA LYS A 31 -10.592 -15.619 2.549 1.00 41.23 H new ATOM 0 HB2 LYS A 31 -9.684 -13.318 1.979 1.00 73.34 H new ATOM 0 HB3 LYS A 31 -10.613 -13.383 0.494 1.00 73.34 H new ATOM 0 HG2 LYS A 31 -11.839 -12.107 2.153 1.00 24.20 H new ATOM 0 HG3 LYS A 31 -12.708 -13.590 1.812 1.00 24.20 H new ATOM 0 HD2 LYS A 31 -11.754 -14.635 3.852 1.00 14.42 H new ATOM 0 HD3 LYS A 31 -10.845 -13.175 4.187 1.00 14.42 H new ATOM 0 HE2 LYS A 31 -13.882 -13.359 4.047 1.00 54.11 H new ATOM 0 HE3 LYS A 31 -12.940 -13.319 5.524 1.00 54.11 H new ATOM 0 HZ1 LYS A 31 -13.686 -11.141 5.142 1.00 20.12 H new ATOM 0 HZ2 LYS A 31 -12.042 -11.127 4.716 1.00 20.12 H new ATOM 0 HZ3 LYS A 31 -13.233 -11.166 3.506 1.00 20.12 H new ATOM 490 N LYS A 32 -11.318 -16.044 -0.610 1.00 4.53 N ATOM 491 CA LYS A 32 -12.290 -16.658 -1.502 1.00 12.42 C ATOM 492 C LYS A 32 -12.444 -18.153 -1.207 1.00 72.43 C ATOM 493 O LYS A 32 -13.561 -18.678 -1.190 1.00 21.40 O ATOM 494 CB LYS A 32 -11.915 -16.429 -2.970 1.00 31.31 C ATOM 495 CG LYS A 32 -11.958 -14.964 -3.389 1.00 60.54 C ATOM 496 CD LYS A 32 -11.686 -14.786 -4.878 1.00 3.34 C ATOM 497 CE LYS A 32 -12.803 -15.379 -5.726 1.00 2.43 C ATOM 498 NZ LYS A 32 -12.578 -15.158 -7.174 1.00 33.50 N ATOM 0 H LYS A 32 -10.447 -15.760 -1.058 1.00 4.53 H new ATOM 0 HA LYS A 32 -13.252 -16.179 -1.321 1.00 12.42 H new ATOM 0 HB2 LYS A 32 -10.912 -16.819 -3.145 1.00 31.31 H new ATOM 0 HB3 LYS A 32 -12.594 -17.000 -3.603 1.00 31.31 H new ATOM 0 HG2 LYS A 32 -12.935 -14.547 -3.147 1.00 60.54 H new ATOM 0 HG3 LYS A 32 -11.221 -14.402 -2.816 1.00 60.54 H new ATOM 0 HD2 LYS A 32 -11.580 -13.725 -5.105 1.00 3.34 H new ATOM 0 HD3 LYS A 32 -10.740 -15.263 -5.135 1.00 3.34 H new ATOM 0 HE2 LYS A 32 -12.878 -16.449 -5.530 1.00 2.43 H new ATOM 0 HE3 LYS A 32 -13.754 -14.934 -5.435 1.00 2.43 H new ATOM 0 HZ1 LYS A 32 -13.361 -15.577 -7.715 1.00 33.50 H new ATOM 0 HZ2 LYS A 32 -12.532 -14.137 -7.366 1.00 33.50 H new ATOM 0 HZ3 LYS A 32 -11.683 -15.605 -7.458 1.00 33.50 H new ATOM 512 N LYS A 33 -11.320 -18.840 -0.977 1.00 73.22 N ATOM 513 CA LYS A 33 -11.329 -20.275 -0.657 1.00 62.10 C ATOM 514 C LYS A 33 -11.971 -20.533 0.710 1.00 72.31 C ATOM 515 O LYS A 33 -12.506 -21.615 0.964 1.00 52.33 O ATOM 516 CB LYS A 33 -9.902 -20.836 -0.661 1.00 20.44 C ATOM 517 CG LYS A 33 -9.144 -20.620 -1.961 1.00 45.14 C ATOM 518 CD LYS A 33 -9.792 -21.345 -3.125 1.00 32.12 C ATOM 519 CE LYS A 33 -9.073 -21.042 -4.430 1.00 42.34 C ATOM 520 NZ LYS A 33 -7.637 -21.412 -4.376 1.00 52.03 N ATOM 0 H LYS A 33 -10.389 -18.425 -1.006 1.00 73.22 H new ATOM 0 HA LYS A 33 -11.919 -20.778 -1.423 1.00 62.10 H new ATOM 0 HB2 LYS A 33 -9.342 -20.375 0.153 1.00 20.44 H new ATOM 0 HB3 LYS A 33 -9.945 -21.905 -0.453 1.00 20.44 H new ATOM 0 HG2 LYS A 33 -9.097 -19.553 -2.180 1.00 45.14 H new ATOM 0 HG3 LYS A 33 -8.117 -20.967 -1.844 1.00 45.14 H new ATOM 0 HD2 LYS A 33 -9.779 -22.419 -2.940 1.00 32.12 H new ATOM 0 HD3 LYS A 33 -10.838 -21.048 -3.205 1.00 32.12 H new ATOM 0 HE2 LYS A 33 -9.556 -21.583 -5.243 1.00 42.34 H new ATOM 0 HE3 LYS A 33 -9.165 -19.980 -4.656 1.00 42.34 H new ATOM 0 HZ1 LYS A 33 -7.234 -21.382 -5.334 1.00 52.03 H new ATOM 0 HZ2 LYS A 33 -7.128 -20.741 -3.765 1.00 52.03 H new ATOM 0 HZ3 LYS A 33 -7.540 -22.373 -3.990 1.00 52.03 H new ATOM 534 N HIS A 34 -11.899 -19.544 1.588 1.00 63.23 N ATOM 535 CA HIS A 34 -12.484 -19.653 2.920 1.00 53.14 C ATOM 536 C HIS A 34 -13.470 -18.521 3.166 1.00 21.30 C ATOM 537 O HIS A 34 -13.111 -17.495 3.744 1.00 20.31 O ATOM 538 CB HIS A 34 -11.402 -19.642 4.010 1.00 34.11 C ATOM 539 CG HIS A 34 -10.698 -20.951 4.197 1.00 54.11 C ATOM 540 ND1 HIS A 34 -10.884 -21.747 5.304 1.00 64.50 N ATOM 541 CD2 HIS A 34 -9.792 -21.594 3.424 1.00 74.35 C ATOM 542 CE1 HIS A 34 -10.128 -22.818 5.208 1.00 73.14 C ATOM 543 NE2 HIS A 34 -9.454 -22.753 4.076 1.00 75.30 N ATOM 0 H HIS A 34 -11.440 -18.652 1.403 1.00 63.23 H new ATOM 0 HA HIS A 34 -13.011 -20.606 2.968 1.00 53.14 H new ATOM 0 HB2 HIS A 34 -10.664 -18.878 3.764 1.00 34.11 H new ATOM 0 HB3 HIS A 34 -11.859 -19.351 4.956 1.00 34.11 H new ATOM 0 HD2 HIS A 34 -9.407 -21.258 2.472 1.00 74.35 H new ATOM 0 HE1 HIS A 34 -10.069 -23.616 5.933 1.00 73.14 H new ATOM 0 HE2 HIS A 34 -8.790 -23.451 3.740 1.00 75.30 H new ATOM 552 N PRO A 35 -14.727 -18.681 2.719 1.00 64.03 N ATOM 553 CA PRO A 35 -15.757 -17.652 2.890 1.00 5.31 C ATOM 554 C PRO A 35 -16.069 -17.402 4.359 1.00 14.11 C ATOM 555 O PRO A 35 -16.420 -16.288 4.754 1.00 61.32 O ATOM 556 CB PRO A 35 -16.984 -18.233 2.171 1.00 21.25 C ATOM 557 CG PRO A 35 -16.734 -19.701 2.101 1.00 44.51 C ATOM 558 CD PRO A 35 -15.245 -19.868 2.012 1.00 1.12 C ATOM 0 HA PRO A 35 -15.440 -16.689 2.490 1.00 5.31 H new ATOM 0 HB2 PRO A 35 -17.901 -18.015 2.718 1.00 21.25 H new ATOM 0 HB3 PRO A 35 -17.097 -17.804 1.175 1.00 21.25 H new ATOM 0 HG2 PRO A 35 -17.130 -20.206 2.982 1.00 44.51 H new ATOM 0 HG3 PRO A 35 -17.227 -20.139 1.233 1.00 44.51 H new ATOM 0 HD2 PRO A 35 -14.915 -20.793 2.484 1.00 1.12 H new ATOM 0 HD3 PRO A 35 -14.905 -19.900 0.977 1.00 1.12 H new ATOM 566 N ASP A 36 -15.933 -18.439 5.164 1.00 42.33 N ATOM 567 CA ASP A 36 -16.194 -18.381 6.593 1.00 42.01 C ATOM 568 C ASP A 36 -14.897 -18.163 7.374 1.00 20.11 C ATOM 569 O ASP A 36 -14.799 -18.571 8.532 1.00 14.22 O ATOM 570 CB ASP A 36 -16.870 -19.680 7.050 1.00 25.22 C ATOM 571 CG ASP A 36 -16.003 -20.905 6.816 1.00 34.11 C ATOM 572 OD1 ASP A 36 -15.693 -21.207 5.642 1.00 72.21 O ATOM 573 OD2 ASP A 36 -15.622 -21.573 7.806 1.00 31.41 O ATOM 0 H ASP A 36 -15.634 -19.359 4.841 1.00 42.33 H new ATOM 0 HA ASP A 36 -16.858 -17.539 6.790 1.00 42.01 H new ATOM 0 HB2 ASP A 36 -17.109 -19.607 8.111 1.00 25.22 H new ATOM 0 HB3 ASP A 36 -17.814 -19.801 6.518 1.00 25.22 H new ATOM 578 N ALA A 37 -13.903 -17.538 6.709 1.00 72.33 N ATOM 579 CA ALA A 37 -12.558 -17.254 7.284 1.00 73.43 C ATOM 580 C ALA A 37 -12.586 -16.960 8.793 1.00 31.43 C ATOM 581 O ALA A 37 -11.768 -17.493 9.536 1.00 74.33 O ATOM 582 CB ALA A 37 -11.903 -16.106 6.535 1.00 42.41 C ATOM 0 H ALA A 37 -14.006 -17.211 5.748 1.00 72.33 H new ATOM 0 HA ALA A 37 -11.969 -18.163 7.161 1.00 73.43 H new ATOM 0 HB1 ALA A 37 -10.921 -15.906 6.963 1.00 42.41 H new ATOM 0 HB2 ALA A 37 -11.794 -16.373 5.484 1.00 42.41 H new ATOM 0 HB3 ALA A 37 -12.524 -15.214 6.620 1.00 42.41 H new ATOM 588 N SER A 38 -13.573 -16.163 9.239 1.00 51.44 N ATOM 589 CA SER A 38 -13.763 -15.836 10.672 1.00 44.50 C ATOM 590 C SER A 38 -12.429 -15.494 11.391 1.00 5.52 C ATOM 591 O SER A 38 -12.256 -15.789 12.579 1.00 0.43 O ATOM 592 CB SER A 38 -14.466 -16.993 11.376 1.00 1.22 C ATOM 593 OG SER A 38 -15.686 -17.313 10.719 1.00 72.34 O ATOM 0 H SER A 38 -14.260 -15.727 8.624 1.00 51.44 H new ATOM 0 HA SER A 38 -14.384 -14.941 10.722 1.00 44.50 H new ATOM 0 HB2 SER A 38 -13.814 -17.867 11.390 1.00 1.22 H new ATOM 0 HB3 SER A 38 -14.665 -16.727 12.414 1.00 1.22 H new ATOM 0 HG SER A 38 -15.523 -18.005 10.044 1.00 72.34 H new ATOM 599 N VAL A 39 -11.508 -14.852 10.678 1.00 40.23 N ATOM 600 CA VAL A 39 -10.197 -14.538 11.243 1.00 72.51 C ATOM 601 C VAL A 39 -10.009 -13.020 11.443 1.00 62.10 C ATOM 602 O VAL A 39 -10.922 -12.328 11.899 1.00 50.44 O ATOM 603 CB VAL A 39 -9.040 -15.117 10.364 1.00 71.45 C ATOM 604 CG1 VAL A 39 -8.989 -16.632 10.474 1.00 31.34 C ATOM 605 CG2 VAL A 39 -9.199 -14.697 8.903 1.00 70.45 C ATOM 0 H VAL A 39 -11.642 -14.541 9.716 1.00 40.23 H new ATOM 0 HA VAL A 39 -10.155 -15.015 12.222 1.00 72.51 H new ATOM 0 HB VAL A 39 -8.101 -14.709 10.737 1.00 71.45 H new ATOM 0 HG11 VAL A 39 -8.177 -17.015 9.855 1.00 31.34 H new ATOM 0 HG12 VAL A 39 -8.818 -16.916 11.512 1.00 31.34 H new ATOM 0 HG13 VAL A 39 -9.935 -17.054 10.133 1.00 31.34 H new ATOM 0 HG21 VAL A 39 -8.382 -15.113 8.314 1.00 70.45 H new ATOM 0 HG22 VAL A 39 -10.149 -15.069 8.519 1.00 70.45 H new ATOM 0 HG23 VAL A 39 -9.180 -13.609 8.833 1.00 70.45 H new ATOM 615 N ASN A 40 -8.840 -12.521 11.072 1.00 61.02 N ATOM 616 CA ASN A 40 -8.503 -11.117 11.232 1.00 51.21 C ATOM 617 C ASN A 40 -7.394 -10.737 10.272 1.00 35.34 C ATOM 618 O ASN A 40 -6.428 -11.482 10.103 1.00 41.14 O ATOM 619 CB ASN A 40 -8.091 -10.813 12.678 1.00 22.34 C ATOM 620 CG ASN A 40 -7.646 -9.374 12.865 1.00 14.12 C ATOM 621 OD1 ASN A 40 -6.459 -9.061 12.763 1.00 10.33 O ATOM 622 ND2 ASN A 40 -8.587 -8.494 13.135 1.00 11.01 N ATOM 0 H ASN A 40 -8.098 -13.080 10.651 1.00 61.02 H new ATOM 0 HA ASN A 40 -9.387 -10.522 11.003 1.00 51.21 H new ATOM 0 HB2 ASN A 40 -8.930 -11.020 13.343 1.00 22.34 H new ATOM 0 HB3 ASN A 40 -7.281 -11.481 12.970 1.00 22.34 H new ATOM 0 HD21 ASN A 40 -8.344 -7.512 13.268 1.00 11.01 H new ATOM 0 HD22 ASN A 40 -9.559 -8.794 13.211 1.00 11.01 H new ATOM 629 N PHE A 41 -7.543 -9.589 9.640 1.00 33.34 N ATOM 630 CA PHE A 41 -6.595 -9.115 8.643 1.00 54.24 C ATOM 631 C PHE A 41 -5.170 -8.975 9.201 1.00 22.10 C ATOM 632 O PHE A 41 -4.230 -9.521 8.639 1.00 54.21 O ATOM 633 CB PHE A 41 -7.074 -7.775 8.064 1.00 14.12 C ATOM 634 CG PHE A 41 -6.151 -7.178 7.037 1.00 32.44 C ATOM 635 CD1 PHE A 41 -6.179 -7.614 5.723 1.00 41.34 C ATOM 636 CD2 PHE A 41 -5.254 -6.180 7.388 1.00 34.13 C ATOM 637 CE1 PHE A 41 -5.330 -7.068 4.780 1.00 14.14 C ATOM 638 CE2 PHE A 41 -4.403 -5.633 6.449 1.00 12.24 C ATOM 639 CZ PHE A 41 -4.442 -6.078 5.144 1.00 41.41 C ATOM 0 H PHE A 41 -8.326 -8.955 9.802 1.00 33.34 H new ATOM 0 HA PHE A 41 -6.553 -9.865 7.853 1.00 54.24 H new ATOM 0 HB2 PHE A 41 -8.056 -7.918 7.613 1.00 14.12 H new ATOM 0 HB3 PHE A 41 -7.198 -7.064 8.880 1.00 14.12 H new ATOM 0 HD1 PHE A 41 -6.872 -8.389 5.432 1.00 41.34 H new ATOM 0 HD2 PHE A 41 -5.221 -5.827 8.408 1.00 34.13 H new ATOM 0 HE1 PHE A 41 -5.362 -7.416 3.758 1.00 14.14 H new ATOM 0 HE2 PHE A 41 -3.708 -4.858 6.736 1.00 12.24 H new ATOM 0 HZ PHE A 41 -3.777 -5.651 4.408 1.00 41.41 H new ATOM 649 N SER A 42 -5.028 -8.240 10.296 1.00 71.25 N ATOM 650 CA SER A 42 -3.712 -7.953 10.878 1.00 24.34 C ATOM 651 C SER A 42 -2.861 -9.216 11.141 1.00 75.14 C ATOM 652 O SER A 42 -1.711 -9.291 10.698 1.00 43.21 O ATOM 653 CB SER A 42 -3.878 -7.146 12.160 1.00 5.14 C ATOM 654 OG SER A 42 -4.599 -5.950 11.906 1.00 3.44 O ATOM 0 H SER A 42 -5.809 -7.827 10.806 1.00 71.25 H new ATOM 0 HA SER A 42 -3.164 -7.371 10.137 1.00 24.34 H new ATOM 0 HB2 SER A 42 -4.403 -7.742 12.906 1.00 5.14 H new ATOM 0 HB3 SER A 42 -2.899 -6.906 12.575 1.00 5.14 H new ATOM 0 HG SER A 42 -4.698 -5.445 12.740 1.00 3.44 H new ATOM 660 N GLU A 43 -3.419 -10.196 11.853 1.00 65.52 N ATOM 661 CA GLU A 43 -2.670 -11.422 12.190 1.00 34.22 C ATOM 662 C GLU A 43 -2.448 -12.333 10.974 1.00 61.04 C ATOM 663 O GLU A 43 -1.734 -13.326 11.055 1.00 72.45 O ATOM 664 CB GLU A 43 -3.363 -12.197 13.299 1.00 31.33 C ATOM 665 CG GLU A 43 -4.695 -12.791 12.903 1.00 44.44 C ATOM 666 CD GLU A 43 -5.248 -13.695 13.969 1.00 24.14 C ATOM 667 OE1 GLU A 43 -4.695 -14.801 14.159 1.00 14.14 O ATOM 668 OE2 GLU A 43 -6.235 -13.315 14.623 1.00 62.22 O ATOM 0 H GLU A 43 -4.375 -10.173 12.207 1.00 65.52 H new ATOM 0 HA GLU A 43 -1.690 -11.096 12.538 1.00 34.22 H new ATOM 0 HB2 GLU A 43 -2.705 -13.000 13.632 1.00 31.33 H new ATOM 0 HB3 GLU A 43 -3.513 -11.534 14.151 1.00 31.33 H new ATOM 0 HG2 GLU A 43 -5.405 -11.988 12.704 1.00 44.44 H new ATOM 0 HG3 GLU A 43 -4.580 -13.352 11.976 1.00 44.44 H new ATOM 675 N PHE A 44 -3.052 -11.983 9.869 1.00 52.14 N ATOM 676 CA PHE A 44 -2.903 -12.790 8.664 1.00 22.23 C ATOM 677 C PHE A 44 -1.622 -12.460 7.897 1.00 13.32 C ATOM 678 O PHE A 44 -1.142 -13.269 7.101 1.00 4.42 O ATOM 679 CB PHE A 44 -4.128 -12.619 7.768 1.00 31.21 C ATOM 680 CG PHE A 44 -4.247 -13.658 6.693 1.00 25.52 C ATOM 681 CD1 PHE A 44 -4.808 -14.890 6.969 1.00 4.01 C ATOM 682 CD2 PHE A 44 -3.802 -13.402 5.410 1.00 1.51 C ATOM 683 CE1 PHE A 44 -4.921 -15.846 5.986 1.00 13.22 C ATOM 684 CE2 PHE A 44 -3.911 -14.354 4.423 1.00 74.51 C ATOM 685 CZ PHE A 44 -4.471 -15.576 4.711 1.00 11.12 C ATOM 0 H PHE A 44 -3.645 -11.159 9.767 1.00 52.14 H new ATOM 0 HA PHE A 44 -2.824 -13.832 8.973 1.00 22.23 H new ATOM 0 HB2 PHE A 44 -5.025 -12.647 8.387 1.00 31.21 H new ATOM 0 HB3 PHE A 44 -4.091 -11.633 7.304 1.00 31.21 H new ATOM 0 HD1 PHE A 44 -5.161 -15.105 7.967 1.00 4.01 H new ATOM 0 HD2 PHE A 44 -3.363 -12.443 5.179 1.00 1.51 H new ATOM 0 HE1 PHE A 44 -5.361 -16.806 6.213 1.00 13.22 H new ATOM 0 HE2 PHE A 44 -3.558 -14.142 3.425 1.00 74.51 H new ATOM 0 HZ PHE A 44 -4.559 -16.325 3.938 1.00 11.12 H new ATOM 695 N SER A 45 -1.054 -11.297 8.161 1.00 62.31 N ATOM 696 CA SER A 45 0.131 -10.848 7.440 1.00 60.32 C ATOM 697 C SER A 45 1.333 -11.778 7.663 1.00 51.02 C ATOM 698 O SER A 45 2.135 -11.995 6.752 1.00 30.11 O ATOM 699 CB SER A 45 0.478 -9.413 7.831 1.00 75.44 C ATOM 700 OG SER A 45 -0.606 -8.540 7.542 1.00 32.13 O ATOM 0 H SER A 45 -1.391 -10.644 8.868 1.00 62.31 H new ATOM 0 HA SER A 45 -0.103 -10.879 6.376 1.00 60.32 H new ATOM 0 HB2 SER A 45 0.716 -9.367 8.894 1.00 75.44 H new ATOM 0 HB3 SER A 45 1.368 -9.088 7.291 1.00 75.44 H new ATOM 0 HG SER A 45 -1.265 -8.585 8.266 1.00 32.13 H new ATOM 706 N LYS A 46 1.436 -12.346 8.857 1.00 31.15 N ATOM 707 CA LYS A 46 2.553 -13.224 9.190 1.00 10.15 C ATOM 708 C LYS A 46 2.546 -14.509 8.360 1.00 4.43 C ATOM 709 O LYS A 46 3.607 -15.065 8.065 1.00 61.22 O ATOM 710 CB LYS A 46 2.574 -13.549 10.686 1.00 20.23 C ATOM 711 CG LYS A 46 1.300 -14.182 11.213 1.00 23.32 C ATOM 712 CD LYS A 46 1.402 -14.442 12.701 1.00 75.44 C ATOM 713 CE LYS A 46 0.083 -14.913 13.279 1.00 10.53 C ATOM 714 NZ LYS A 46 0.149 -15.034 14.755 1.00 75.54 N ATOM 0 H LYS A 46 0.762 -12.216 9.611 1.00 31.15 H new ATOM 0 HA LYS A 46 3.465 -12.681 8.941 1.00 10.15 H new ATOM 0 HB2 LYS A 46 3.408 -14.221 10.887 1.00 20.23 H new ATOM 0 HB3 LYS A 46 2.764 -12.631 11.241 1.00 20.23 H new ATOM 0 HG2 LYS A 46 0.453 -13.526 11.011 1.00 23.32 H new ATOM 0 HG3 LYS A 46 1.110 -15.118 10.688 1.00 23.32 H new ATOM 0 HD2 LYS A 46 2.170 -15.193 12.887 1.00 75.44 H new ATOM 0 HD3 LYS A 46 1.717 -13.531 13.209 1.00 75.44 H new ATOM 0 HE2 LYS A 46 -0.706 -14.213 13.005 1.00 10.53 H new ATOM 0 HE3 LYS A 46 -0.182 -15.877 12.845 1.00 10.53 H new ATOM 0 HZ1 LYS A 46 -0.770 -15.358 15.118 1.00 75.54 H new ATOM 0 HZ2 LYS A 46 0.886 -15.721 15.014 1.00 75.54 H new ATOM 0 HZ3 LYS A 46 0.378 -14.108 15.169 1.00 75.54 H new ATOM 728 N LYS A 47 1.356 -14.982 7.978 1.00 32.11 N ATOM 729 CA LYS A 47 1.245 -16.187 7.155 1.00 24.42 C ATOM 730 C LYS A 47 1.570 -15.851 5.698 1.00 24.52 C ATOM 731 O LYS A 47 1.606 -16.721 4.829 1.00 21.42 O ATOM 732 CB LYS A 47 -0.156 -16.788 7.250 1.00 71.31 C ATOM 733 CG LYS A 47 -0.215 -18.250 6.825 1.00 35.01 C ATOM 734 CD LYS A 47 -1.589 -18.636 6.305 1.00 11.14 C ATOM 735 CE LYS A 47 -1.878 -17.974 4.964 1.00 40.22 C ATOM 736 NZ LYS A 47 -0.884 -18.361 3.922 1.00 52.14 N ATOM 0 H LYS A 47 0.464 -14.552 8.223 1.00 32.11 H new ATOM 0 HA LYS A 47 1.958 -16.923 7.526 1.00 24.42 H new ATOM 0 HB2 LYS A 47 -0.512 -16.701 8.276 1.00 71.31 H new ATOM 0 HB3 LYS A 47 -0.836 -16.208 6.626 1.00 71.31 H new ATOM 0 HG2 LYS A 47 0.530 -18.433 6.051 1.00 35.01 H new ATOM 0 HG3 LYS A 47 0.043 -18.885 7.673 1.00 35.01 H new ATOM 0 HD2 LYS A 47 -1.649 -19.719 6.199 1.00 11.14 H new ATOM 0 HD3 LYS A 47 -2.350 -18.344 7.029 1.00 11.14 H new ATOM 0 HE2 LYS A 47 -2.878 -18.252 4.631 1.00 40.22 H new ATOM 0 HE3 LYS A 47 -1.872 -16.891 5.086 1.00 40.22 H new ATOM 0 HZ1 LYS A 47 -1.263 -18.135 2.980 1.00 52.14 H new ATOM 0 HZ2 LYS A 47 0.001 -17.836 4.074 1.00 52.14 H new ATOM 0 HZ3 LYS A 47 -0.696 -19.382 3.984 1.00 52.14 H new ATOM 750 N CYS A 48 1.766 -14.598 5.455 1.00 24.24 N ATOM 751 CA CYS A 48 2.134 -14.143 4.138 1.00 62.10 C ATOM 752 C CYS A 48 3.636 -13.869 4.092 1.00 32.42 C ATOM 753 O CYS A 48 4.339 -14.351 3.203 1.00 25.31 O ATOM 754 CB CYS A 48 1.327 -12.898 3.754 1.00 12.24 C ATOM 755 SG CYS A 48 -0.485 -13.096 3.950 1.00 3.34 S ATOM 0 H CYS A 48 1.679 -13.858 6.152 1.00 24.24 H new ATOM 0 HA CYS A 48 1.902 -14.920 3.410 1.00 62.10 H new ATOM 0 HB2 CYS A 48 1.659 -12.059 4.366 1.00 12.24 H new ATOM 0 HB3 CYS A 48 1.544 -12.642 2.717 1.00 12.24 H new ATOM 760 N SER A 49 4.115 -13.101 5.077 1.00 71.00 N ATOM 761 CA SER A 49 5.534 -12.741 5.194 1.00 24.22 C ATOM 762 C SER A 49 6.452 -13.955 5.039 1.00 34.10 C ATOM 763 O SER A 49 7.516 -13.859 4.422 1.00 24.14 O ATOM 764 CB SER A 49 5.793 -12.088 6.548 1.00 4.22 C ATOM 765 OG SER A 49 4.976 -10.950 6.733 1.00 5.24 O ATOM 0 H SER A 49 3.530 -12.711 5.816 1.00 71.00 H new ATOM 0 HA SER A 49 5.758 -12.044 4.387 1.00 24.22 H new ATOM 0 HB2 SER A 49 5.603 -12.808 7.344 1.00 4.22 H new ATOM 0 HB3 SER A 49 6.842 -11.801 6.621 1.00 4.22 H new ATOM 0 HG SER A 49 4.054 -11.234 6.907 1.00 5.24 H new ATOM 771 N GLU A 50 6.031 -15.097 5.585 1.00 45.34 N ATOM 772 CA GLU A 50 6.828 -16.315 5.527 1.00 13.12 C ATOM 773 C GLU A 50 7.145 -16.727 4.085 1.00 43.03 C ATOM 774 O GLU A 50 8.215 -17.280 3.810 1.00 11.00 O ATOM 775 CB GLU A 50 6.158 -17.454 6.324 1.00 44.42 C ATOM 776 CG GLU A 50 4.708 -17.756 5.948 1.00 33.50 C ATOM 777 CD GLU A 50 4.577 -18.730 4.794 1.00 71.13 C ATOM 778 OE1 GLU A 50 5.054 -19.875 4.925 1.00 31.34 O ATOM 779 OE2 GLU A 50 3.988 -18.365 3.758 1.00 14.22 O ATOM 0 H GLU A 50 5.141 -15.200 6.072 1.00 45.34 H new ATOM 0 HA GLU A 50 7.786 -16.104 6.002 1.00 13.12 H new ATOM 0 HB2 GLU A 50 6.746 -18.362 6.191 1.00 44.42 H new ATOM 0 HB3 GLU A 50 6.195 -17.203 7.384 1.00 44.42 H new ATOM 0 HG2 GLU A 50 4.192 -18.163 6.818 1.00 33.50 H new ATOM 0 HG3 GLU A 50 4.206 -16.824 5.686 1.00 33.50 H new ATOM 786 N ARG A 51 6.235 -16.438 3.163 1.00 64.33 N ATOM 787 CA ARG A 51 6.476 -16.755 1.774 1.00 34.41 C ATOM 788 C ARG A 51 7.284 -15.640 1.125 1.00 22.45 C ATOM 789 O ARG A 51 8.194 -15.902 0.358 1.00 52.45 O ATOM 790 CB ARG A 51 5.181 -16.973 0.988 1.00 2.05 C ATOM 791 CG ARG A 51 5.448 -17.343 -0.466 1.00 24.04 C ATOM 792 CD ARG A 51 4.205 -17.282 -1.332 1.00 12.32 C ATOM 793 NE ARG A 51 4.560 -17.325 -2.757 1.00 21.53 N ATOM 794 CZ ARG A 51 3.802 -16.846 -3.749 1.00 0.42 C ATOM 795 NH1 ARG A 51 2.583 -16.376 -3.501 1.00 15.24 N ATOM 796 NH2 ARG A 51 4.265 -16.844 -4.994 1.00 21.30 N ATOM 0 H ARG A 51 5.338 -15.991 3.354 1.00 64.33 H new ATOM 0 HA ARG A 51 7.034 -17.691 1.749 1.00 34.41 H new ATOM 0 HB2 ARG A 51 4.599 -17.763 1.462 1.00 2.05 H new ATOM 0 HB3 ARG A 51 4.577 -16.066 1.026 1.00 2.05 H new ATOM 0 HG2 ARG A 51 6.201 -16.669 -0.874 1.00 24.04 H new ATOM 0 HG3 ARG A 51 5.864 -18.350 -0.508 1.00 24.04 H new ATOM 0 HD2 ARG A 51 3.547 -18.117 -1.091 1.00 12.32 H new ATOM 0 HD3 ARG A 51 3.651 -16.368 -1.118 1.00 12.32 H new ATOM 0 HE ARG A 51 5.451 -17.752 -3.008 1.00 21.53 H new ATOM 0 HH11 ARG A 51 2.219 -16.379 -2.548 1.00 15.24 H new ATOM 0 HH12 ARG A 51 2.012 -16.012 -4.264 1.00 15.24 H new ATOM 0 HH21 ARG A 51 5.197 -17.207 -5.192 1.00 21.30 H new ATOM 0 HH22 ARG A 51 3.688 -16.479 -5.752 1.00 21.30 H new ATOM 810 N TRP A 52 6.929 -14.401 1.422 1.00 3.03 N ATOM 811 CA TRP A 52 7.608 -13.212 0.891 1.00 51.52 C ATOM 812 C TRP A 52 9.123 -13.320 1.059 1.00 60.34 C ATOM 813 O TRP A 52 9.884 -13.039 0.132 1.00 62.24 O ATOM 814 CB TRP A 52 7.084 -11.945 1.598 1.00 61.13 C ATOM 815 CG TRP A 52 7.873 -10.699 1.292 1.00 1.21 C ATOM 816 CD1 TRP A 52 8.832 -10.121 2.079 1.00 60.22 C ATOM 817 CD2 TRP A 52 7.772 -9.879 0.122 1.00 64.31 C ATOM 818 NE1 TRP A 52 9.332 -9.003 1.466 1.00 34.44 N ATOM 819 CE2 TRP A 52 8.700 -8.831 0.265 1.00 12.52 C ATOM 820 CE3 TRP A 52 6.992 -9.931 -1.030 1.00 44.51 C ATOM 821 CZ2 TRP A 52 8.865 -7.846 -0.704 1.00 5.15 C ATOM 822 CZ3 TRP A 52 7.156 -8.955 -1.990 1.00 30.22 C ATOM 823 CH2 TRP A 52 8.087 -7.926 -1.823 1.00 14.13 C ATOM 0 H TRP A 52 6.152 -14.181 2.046 1.00 3.03 H new ATOM 0 HA TRP A 52 7.391 -13.144 -0.175 1.00 51.52 H new ATOM 0 HB2 TRP A 52 6.045 -11.784 1.309 1.00 61.13 H new ATOM 0 HB3 TRP A 52 7.093 -12.113 2.675 1.00 61.13 H new ATOM 0 HD1 TRP A 52 9.148 -10.492 3.043 1.00 60.22 H new ATOM 0 HE1 TRP A 52 10.059 -8.396 1.844 1.00 34.44 H new ATOM 0 HE3 TRP A 52 6.271 -10.723 -1.169 1.00 44.51 H new ATOM 0 HZ2 TRP A 52 9.582 -7.048 -0.576 1.00 5.15 H new ATOM 0 HZ3 TRP A 52 6.555 -8.986 -2.887 1.00 30.22 H new ATOM 0 HH2 TRP A 52 8.193 -7.179 -2.595 1.00 14.13 H new ATOM 834 N LYS A 53 9.546 -13.756 2.234 1.00 13.33 N ATOM 835 CA LYS A 53 10.964 -13.887 2.545 1.00 53.54 C ATOM 836 C LYS A 53 11.618 -15.015 1.741 1.00 3.33 C ATOM 837 O LYS A 53 12.842 -15.086 1.640 1.00 14.12 O ATOM 838 CB LYS A 53 11.151 -14.139 4.040 1.00 3.04 C ATOM 839 CG LYS A 53 10.547 -13.064 4.927 1.00 60.14 C ATOM 840 CD LYS A 53 10.731 -13.394 6.398 1.00 73.00 C ATOM 841 CE LYS A 53 10.031 -12.381 7.290 1.00 42.43 C ATOM 842 NZ LYS A 53 10.554 -11.007 7.092 1.00 24.35 N ATOM 0 H LYS A 53 8.924 -14.028 2.995 1.00 13.33 H new ATOM 0 HA LYS A 53 11.452 -12.952 2.268 1.00 53.54 H new ATOM 0 HB2 LYS A 53 10.704 -15.100 4.295 1.00 3.04 H new ATOM 0 HB3 LYS A 53 12.217 -14.216 4.255 1.00 3.04 H new ATOM 0 HG2 LYS A 53 11.013 -12.104 4.707 1.00 60.14 H new ATOM 0 HG3 LYS A 53 9.485 -12.961 4.705 1.00 60.14 H new ATOM 0 HD2 LYS A 53 10.338 -14.390 6.600 1.00 73.00 H new ATOM 0 HD3 LYS A 53 11.794 -13.416 6.636 1.00 73.00 H new ATOM 0 HE2 LYS A 53 8.961 -12.394 7.083 1.00 42.43 H new ATOM 0 HE3 LYS A 53 10.157 -12.669 8.334 1.00 42.43 H new ATOM 0 HZ1 LYS A 53 10.161 -10.378 7.821 1.00 24.35 H new ATOM 0 HZ2 LYS A 53 11.591 -11.017 7.165 1.00 24.35 H new ATOM 0 HZ3 LYS A 53 10.277 -10.662 6.151 1.00 24.35 H new ATOM 856 N THR A 54 10.807 -15.881 1.164 1.00 31.31 N ATOM 857 CA THR A 54 11.314 -17.013 0.415 1.00 64.22 C ATOM 858 C THR A 54 10.893 -16.964 -1.063 1.00 0.11 C ATOM 859 O THR A 54 11.022 -17.954 -1.783 1.00 30.30 O ATOM 860 CB THR A 54 10.844 -18.344 1.045 1.00 65.24 C ATOM 861 OG1 THR A 54 9.429 -18.295 1.300 1.00 71.10 O ATOM 862 CG2 THR A 54 11.585 -18.619 2.345 1.00 12.40 C ATOM 0 H THR A 54 9.789 -15.821 1.201 1.00 31.31 H new ATOM 0 HA THR A 54 12.402 -16.957 0.458 1.00 64.22 H new ATOM 0 HB THR A 54 11.061 -19.148 0.342 1.00 65.24 H new ATOM 0 HG1 THR A 54 9.036 -17.536 0.821 1.00 71.10 H new ATOM 0 HG21 THR A 54 11.237 -19.561 2.770 1.00 12.40 H new ATOM 0 HG22 THR A 54 12.655 -18.683 2.147 1.00 12.40 H new ATOM 0 HG23 THR A 54 11.394 -17.810 3.051 1.00 12.40 H new ATOM 870 N MET A 55 10.406 -15.813 -1.514 1.00 74.13 N ATOM 871 CA MET A 55 9.979 -15.674 -2.907 1.00 53.32 C ATOM 872 C MET A 55 11.119 -15.256 -3.808 1.00 60.43 C ATOM 873 O MET A 55 11.967 -14.443 -3.426 1.00 33.04 O ATOM 874 CB MET A 55 8.812 -14.696 -3.054 1.00 21.32 C ATOM 875 CG MET A 55 7.463 -15.314 -2.757 1.00 62.50 C ATOM 876 SD MET A 55 6.086 -14.334 -3.385 1.00 74.32 S ATOM 877 CE MET A 55 6.166 -12.907 -2.327 1.00 65.24 C ATOM 0 H MET A 55 10.297 -14.972 -0.947 1.00 74.13 H new ATOM 0 HA MET A 55 9.639 -16.661 -3.219 1.00 53.32 H new ATOM 0 HB2 MET A 55 8.971 -13.851 -2.384 1.00 21.32 H new ATOM 0 HB3 MET A 55 8.806 -14.301 -4.070 1.00 21.32 H new ATOM 0 HG2 MET A 55 7.422 -16.311 -3.195 1.00 62.50 H new ATOM 0 HG3 MET A 55 7.354 -15.435 -1.679 1.00 62.50 H new ATOM 0 HE1 MET A 55 5.407 -12.186 -2.631 1.00 65.24 H new ATOM 0 HE2 MET A 55 5.987 -13.209 -1.295 1.00 65.24 H new ATOM 0 HE3 MET A 55 7.153 -12.451 -2.406 1.00 65.24 H new ATOM 887 N SER A 56 11.142 -15.827 -5.001 1.00 44.23 N ATOM 888 CA SER A 56 12.163 -15.521 -5.980 1.00 35.33 C ATOM 889 C SER A 56 12.014 -14.082 -6.494 1.00 41.52 C ATOM 890 O SER A 56 10.945 -13.473 -6.375 1.00 41.22 O ATOM 891 CB SER A 56 12.077 -16.504 -7.148 1.00 53.43 C ATOM 892 OG SER A 56 12.157 -17.848 -6.694 1.00 73.44 O ATOM 0 H SER A 56 10.455 -16.513 -5.314 1.00 44.23 H new ATOM 0 HA SER A 56 13.138 -15.615 -5.501 1.00 35.33 H new ATOM 0 HB2 SER A 56 11.141 -16.354 -7.685 1.00 53.43 H new ATOM 0 HB3 SER A 56 12.884 -16.307 -7.853 1.00 53.43 H new ATOM 0 HG SER A 56 12.098 -18.456 -7.460 1.00 73.44 H new ATOM 898 N ALA A 57 13.092 -13.559 -7.072 1.00 13.40 N ATOM 899 CA ALA A 57 13.092 -12.192 -7.600 1.00 11.35 C ATOM 900 C ALA A 57 11.976 -11.985 -8.621 1.00 35.31 C ATOM 901 O ALA A 57 11.376 -10.913 -8.694 1.00 33.11 O ATOM 902 CB ALA A 57 14.436 -11.866 -8.226 1.00 50.20 C ATOM 0 H ALA A 57 13.975 -14.056 -7.188 1.00 13.40 H new ATOM 0 HA ALA A 57 12.913 -11.516 -6.764 1.00 11.35 H new ATOM 0 HB1 ALA A 57 14.419 -10.847 -8.613 1.00 50.20 H new ATOM 0 HB2 ALA A 57 15.219 -11.955 -7.473 1.00 50.20 H new ATOM 0 HB3 ALA A 57 14.636 -12.561 -9.042 1.00 50.20 H new ATOM 908 N LYS A 58 11.692 -13.026 -9.394 1.00 41.50 N ATOM 909 CA LYS A 58 10.650 -12.967 -10.414 1.00 60.43 C ATOM 910 C LYS A 58 9.265 -12.867 -9.782 1.00 43.44 C ATOM 911 O LYS A 58 8.374 -12.213 -10.323 1.00 0.43 O ATOM 912 CB LYS A 58 10.708 -14.191 -11.338 1.00 63.32 C ATOM 913 CG LYS A 58 11.905 -14.230 -12.291 1.00 34.10 C ATOM 914 CD LYS A 58 13.210 -14.547 -11.574 1.00 4.04 C ATOM 915 CE LYS A 58 14.359 -14.704 -12.561 1.00 41.14 C ATOM 916 NZ LYS A 58 14.125 -15.821 -13.513 1.00 75.13 N ATOM 0 H LYS A 58 12.170 -13.925 -9.334 1.00 41.50 H new ATOM 0 HA LYS A 58 10.831 -12.071 -11.007 1.00 60.43 H new ATOM 0 HB2 LYS A 58 10.724 -15.091 -10.723 1.00 63.32 H new ATOM 0 HB3 LYS A 58 9.792 -14.225 -11.928 1.00 63.32 H new ATOM 0 HG2 LYS A 58 11.727 -14.979 -13.063 1.00 34.10 H new ATOM 0 HG3 LYS A 58 11.995 -13.268 -12.795 1.00 34.10 H new ATOM 0 HD2 LYS A 58 13.442 -13.751 -10.867 1.00 4.04 H new ATOM 0 HD3 LYS A 58 13.096 -15.464 -10.996 1.00 4.04 H new ATOM 0 HE2 LYS A 58 14.490 -13.775 -13.116 1.00 41.14 H new ATOM 0 HE3 LYS A 58 15.285 -14.881 -12.014 1.00 41.14 H new ATOM 0 HZ1 LYS A 58 15.026 -16.094 -13.956 1.00 75.13 H new ATOM 0 HZ2 LYS A 58 13.729 -16.636 -13.002 1.00 75.13 H new ATOM 0 HZ3 LYS A 58 13.456 -15.516 -14.249 1.00 75.13 H new ATOM 930 N GLU A 59 9.093 -13.506 -8.629 1.00 52.44 N ATOM 931 CA GLU A 59 7.812 -13.490 -7.925 1.00 25.15 C ATOM 932 C GLU A 59 7.551 -12.111 -7.333 1.00 33.24 C ATOM 933 O GLU A 59 6.411 -11.721 -7.120 1.00 31.31 O ATOM 934 CB GLU A 59 7.784 -14.552 -6.820 1.00 1.35 C ATOM 935 CG GLU A 59 7.999 -15.973 -7.321 1.00 43.31 C ATOM 936 CD GLU A 59 7.829 -17.013 -6.228 1.00 34.22 C ATOM 937 OE1 GLU A 59 8.825 -17.330 -5.536 1.00 74.32 O ATOM 938 OE2 GLU A 59 6.698 -17.528 -6.060 1.00 54.55 O ATOM 0 H GLU A 59 9.824 -14.042 -8.161 1.00 52.44 H new ATOM 0 HA GLU A 59 7.026 -13.721 -8.644 1.00 25.15 H new ATOM 0 HB2 GLU A 59 8.553 -14.317 -6.085 1.00 1.35 H new ATOM 0 HB3 GLU A 59 6.825 -14.501 -6.305 1.00 1.35 H new ATOM 0 HG2 GLU A 59 7.294 -16.180 -8.126 1.00 43.31 H new ATOM 0 HG3 GLU A 59 9.000 -16.057 -7.744 1.00 43.31 H new ATOM 945 N LYS A 60 8.622 -11.367 -7.119 1.00 30.24 N ATOM 946 CA LYS A 60 8.534 -10.035 -6.544 1.00 44.52 C ATOM 947 C LYS A 60 8.475 -8.966 -7.623 1.00 75.50 C ATOM 948 O LYS A 60 8.008 -7.850 -7.382 1.00 0.31 O ATOM 949 CB LYS A 60 9.701 -9.778 -5.594 1.00 32.54 C ATOM 950 CG LYS A 60 9.733 -10.720 -4.402 1.00 14.42 C ATOM 951 CD LYS A 60 10.886 -10.400 -3.471 1.00 41.33 C ATOM 952 CE LYS A 60 10.934 -11.368 -2.302 1.00 64.41 C ATOM 953 NZ LYS A 60 12.078 -11.096 -1.402 1.00 14.24 N ATOM 0 H LYS A 60 9.572 -11.666 -7.337 1.00 30.24 H new ATOM 0 HA LYS A 60 7.606 -9.982 -5.974 1.00 44.52 H new ATOM 0 HB2 LYS A 60 10.636 -9.872 -6.146 1.00 32.54 H new ATOM 0 HB3 LYS A 60 9.646 -8.751 -5.234 1.00 32.54 H new ATOM 0 HG2 LYS A 60 8.792 -10.649 -3.856 1.00 14.42 H new ATOM 0 HG3 LYS A 60 9.821 -11.748 -4.752 1.00 14.42 H new ATOM 0 HD2 LYS A 60 11.825 -10.445 -4.022 1.00 41.33 H new ATOM 0 HD3 LYS A 60 10.784 -9.381 -3.098 1.00 41.33 H new ATOM 0 HE2 LYS A 60 10.004 -11.300 -1.737 1.00 64.41 H new ATOM 0 HE3 LYS A 60 11.004 -12.388 -2.679 1.00 64.41 H new ATOM 0 HZ1 LYS A 60 12.073 -11.779 -0.618 1.00 14.24 H new ATOM 0 HZ2 LYS A 60 12.967 -11.186 -1.934 1.00 14.24 H new ATOM 0 HZ3 LYS A 60 11.998 -10.132 -1.021 1.00 14.24 H new ATOM 967 N GLY A 61 8.937 -9.317 -8.816 1.00 1.51 N ATOM 968 CA GLY A 61 8.922 -8.382 -9.925 1.00 62.13 C ATOM 969 C GLY A 61 7.520 -7.987 -10.317 1.00 42.13 C ATOM 970 O GLY A 61 7.292 -6.880 -10.807 1.00 22.32 O ATOM 0 H GLY A 61 9.323 -10.235 -9.036 1.00 1.51 H new ATOM 0 HA2 GLY A 61 9.487 -7.490 -9.654 1.00 62.13 H new ATOM 0 HA3 GLY A 61 9.425 -8.829 -10.782 1.00 62.13 H new ATOM 974 N LYS A 62 6.576 -8.891 -10.084 1.00 20.21 N ATOM 975 CA LYS A 62 5.178 -8.650 -10.399 1.00 33.41 C ATOM 976 C LYS A 62 4.611 -7.542 -9.517 1.00 50.23 C ATOM 977 O LYS A 62 3.836 -6.706 -9.975 1.00 64.23 O ATOM 978 CB LYS A 62 4.365 -9.932 -10.200 1.00 72.20 C ATOM 979 CG LYS A 62 2.896 -9.798 -10.574 1.00 23.22 C ATOM 980 CD LYS A 62 2.109 -11.030 -10.165 1.00 24.31 C ATOM 981 CE LYS A 62 0.664 -10.948 -10.628 1.00 25.45 C ATOM 982 NZ LYS A 62 -0.129 -12.107 -10.152 1.00 31.30 N ATOM 0 H LYS A 62 6.759 -9.807 -9.673 1.00 20.21 H new ATOM 0 HA LYS A 62 5.111 -8.338 -11.441 1.00 33.41 H new ATOM 0 HB2 LYS A 62 4.810 -10.728 -10.797 1.00 72.20 H new ATOM 0 HB3 LYS A 62 4.437 -10.237 -9.156 1.00 72.20 H new ATOM 0 HG2 LYS A 62 2.474 -8.917 -10.090 1.00 23.22 H new ATOM 0 HG3 LYS A 62 2.805 -9.646 -11.649 1.00 23.22 H new ATOM 0 HD2 LYS A 62 2.577 -11.919 -10.588 1.00 24.31 H new ATOM 0 HD3 LYS A 62 2.139 -11.139 -9.081 1.00 24.31 H new ATOM 0 HE2 LYS A 62 0.216 -10.025 -10.261 1.00 25.45 H new ATOM 0 HE3 LYS A 62 0.632 -10.907 -11.717 1.00 25.45 H new ATOM 0 HZ1 LYS A 62 -1.110 -12.018 -10.487 1.00 31.30 H new ATOM 0 HZ2 LYS A 62 0.285 -12.986 -10.523 1.00 31.30 H new ATOM 0 HZ3 LYS A 62 -0.119 -12.131 -9.112 1.00 31.30 H new ATOM 996 N PHE A 63 5.013 -7.536 -8.253 1.00 1.34 N ATOM 997 CA PHE A 63 4.520 -6.549 -7.300 1.00 52.11 C ATOM 998 C PHE A 63 5.007 -5.160 -7.660 1.00 53.34 C ATOM 999 O PHE A 63 4.256 -4.189 -7.578 1.00 22.22 O ATOM 1000 CB PHE A 63 4.942 -6.912 -5.880 1.00 61.54 C ATOM 1001 CG PHE A 63 4.539 -8.300 -5.478 1.00 23.00 C ATOM 1002 CD1 PHE A 63 3.218 -8.713 -5.572 1.00 21.53 C ATOM 1003 CD2 PHE A 63 5.478 -9.190 -5.013 1.00 41.23 C ATOM 1004 CE1 PHE A 63 2.851 -9.993 -5.210 1.00 62.34 C ATOM 1005 CE2 PHE A 63 5.121 -10.470 -4.648 1.00 20.32 C ATOM 1006 CZ PHE A 63 3.806 -10.873 -4.747 1.00 52.22 C ATOM 0 H PHE A 63 5.679 -8.203 -7.863 1.00 1.34 H new ATOM 0 HA PHE A 63 3.431 -6.551 -7.346 1.00 52.11 H new ATOM 0 HB2 PHE A 63 6.024 -6.816 -5.794 1.00 61.54 H new ATOM 0 HB3 PHE A 63 4.503 -6.198 -5.184 1.00 61.54 H new ATOM 0 HD1 PHE A 63 2.468 -8.025 -5.933 1.00 21.53 H new ATOM 0 HD2 PHE A 63 6.510 -8.882 -4.933 1.00 41.23 H new ATOM 0 HE1 PHE A 63 1.820 -10.304 -5.289 1.00 62.34 H new ATOM 0 HE2 PHE A 63 5.871 -11.157 -4.285 1.00 20.32 H new ATOM 0 HZ PHE A 63 3.525 -11.876 -4.462 1.00 52.22 H new ATOM 1016 N GLU A 64 6.265 -5.068 -8.067 1.00 42.32 N ATOM 1017 CA GLU A 64 6.823 -3.800 -8.492 1.00 2.42 C ATOM 1018 C GLU A 64 6.136 -3.354 -9.778 1.00 5.32 C ATOM 1019 O GLU A 64 5.704 -2.209 -9.901 1.00 21.13 O ATOM 1020 CB GLU A 64 8.328 -3.921 -8.697 1.00 41.13 C ATOM 1021 CG GLU A 64 9.070 -4.364 -7.449 1.00 75.43 C ATOM 1022 CD GLU A 64 10.567 -4.325 -7.616 1.00 2.20 C ATOM 1023 OE1 GLU A 64 11.166 -3.258 -7.372 1.00 52.55 O ATOM 1024 OE2 GLU A 64 11.159 -5.361 -7.972 1.00 12.14 O ATOM 0 H GLU A 64 6.913 -5.854 -8.111 1.00 42.32 H new ATOM 0 HA GLU A 64 6.651 -3.052 -7.718 1.00 2.42 H new ATOM 0 HB2 GLU A 64 8.522 -4.633 -9.499 1.00 41.13 H new ATOM 0 HB3 GLU A 64 8.722 -2.958 -9.023 1.00 41.13 H new ATOM 0 HG2 GLU A 64 8.785 -3.722 -6.615 1.00 75.43 H new ATOM 0 HG3 GLU A 64 8.764 -5.378 -7.190 1.00 75.43 H new ATOM 1031 N ASP A 65 6.108 -4.263 -10.753 1.00 52.35 N ATOM 1032 CA ASP A 65 5.353 -4.069 -12.003 1.00 1.10 C ATOM 1033 C ASP A 65 3.966 -3.463 -11.745 1.00 21.43 C ATOM 1034 O ASP A 65 3.595 -2.467 -12.363 1.00 3.04 O ATOM 1035 CB ASP A 65 5.196 -5.396 -12.749 1.00 0.02 C ATOM 1036 CG ASP A 65 4.508 -5.232 -14.087 1.00 14.04 C ATOM 1037 OD1 ASP A 65 3.258 -5.290 -14.139 1.00 5.23 O ATOM 1038 OD2 ASP A 65 5.212 -5.049 -15.098 1.00 54.42 O ATOM 0 H ASP A 65 6.604 -5.153 -10.704 1.00 52.35 H new ATOM 0 HA ASP A 65 5.924 -3.370 -12.615 1.00 1.10 H new ATOM 0 HB2 ASP A 65 6.179 -5.841 -12.902 1.00 0.02 H new ATOM 0 HB3 ASP A 65 4.624 -6.090 -12.133 1.00 0.02 H new ATOM 1043 N MET A 66 3.205 -4.070 -10.839 1.00 0.54 N ATOM 1044 CA MET A 66 1.874 -3.562 -10.495 1.00 34.53 C ATOM 1045 C MET A 66 1.949 -2.176 -9.852 1.00 35.34 C ATOM 1046 O MET A 66 1.053 -1.353 -10.033 1.00 10.44 O ATOM 1047 CB MET A 66 1.129 -4.536 -9.578 1.00 21.34 C ATOM 1048 CG MET A 66 0.778 -5.859 -10.243 1.00 1.21 C ATOM 1049 SD MET A 66 -0.241 -6.928 -9.205 1.00 3.30 S ATOM 1050 CE MET A 66 0.845 -7.199 -7.811 1.00 70.14 C ATOM 0 H MET A 66 3.482 -4.910 -10.330 1.00 0.54 H new ATOM 0 HA MET A 66 1.315 -3.471 -11.426 1.00 34.53 H new ATOM 0 HB2 MET A 66 1.742 -4.733 -8.699 1.00 21.34 H new ATOM 0 HB3 MET A 66 0.212 -4.062 -9.228 1.00 21.34 H new ATOM 0 HG2 MET A 66 0.251 -5.661 -11.176 1.00 1.21 H new ATOM 0 HG3 MET A 66 1.698 -6.384 -10.501 1.00 1.21 H new ATOM 0 HE1 MET A 66 0.350 -7.844 -7.084 1.00 70.14 H new ATOM 0 HE2 MET A 66 1.764 -7.676 -8.153 1.00 70.14 H new ATOM 0 HE3 MET A 66 1.084 -6.243 -7.345 1.00 70.14 H new ATOM 1060 N ALA A 67 3.029 -1.915 -9.121 1.00 20.35 N ATOM 1061 CA ALA A 67 3.229 -0.616 -8.481 1.00 72.04 C ATOM 1062 C ALA A 67 3.389 0.486 -9.525 1.00 2.22 C ATOM 1063 O ALA A 67 3.152 1.661 -9.246 1.00 44.31 O ATOM 1064 CB ALA A 67 4.434 -0.651 -7.549 1.00 23.32 C ATOM 0 H ALA A 67 3.780 -2.585 -8.956 1.00 20.35 H new ATOM 0 HA ALA A 67 2.343 -0.395 -7.886 1.00 72.04 H new ATOM 0 HB1 ALA A 67 4.563 0.326 -7.084 1.00 23.32 H new ATOM 0 HB2 ALA A 67 4.274 -1.402 -6.776 1.00 23.32 H new ATOM 0 HB3 ALA A 67 5.328 -0.902 -8.120 1.00 23.32 H new ATOM 1070 N LYS A 68 3.782 0.093 -10.736 1.00 62.42 N ATOM 1071 CA LYS A 68 3.921 1.034 -11.843 1.00 41.51 C ATOM 1072 C LYS A 68 2.556 1.576 -12.235 1.00 44.30 C ATOM 1073 O LYS A 68 2.435 2.672 -12.771 1.00 52.35 O ATOM 1074 CB LYS A 68 4.577 0.353 -13.043 1.00 53.33 C ATOM 1075 CG LYS A 68 5.996 -0.130 -12.783 1.00 20.34 C ATOM 1076 CD LYS A 68 6.523 -0.977 -13.933 1.00 65.32 C ATOM 1077 CE LYS A 68 6.513 -0.214 -15.248 1.00 4.34 C ATOM 1078 NZ LYS A 68 7.385 0.986 -15.209 1.00 72.12 N ATOM 0 H LYS A 68 4.010 -0.872 -10.974 1.00 62.42 H new ATOM 0 HA LYS A 68 4.556 1.860 -11.522 1.00 41.51 H new ATOM 0 HB2 LYS A 68 3.965 -0.497 -13.345 1.00 53.33 H new ATOM 0 HB3 LYS A 68 4.590 1.050 -13.881 1.00 53.33 H new ATOM 0 HG2 LYS A 68 6.651 0.728 -12.634 1.00 20.34 H new ATOM 0 HG3 LYS A 68 6.019 -0.712 -11.862 1.00 20.34 H new ATOM 0 HD2 LYS A 68 7.539 -1.302 -13.709 1.00 65.32 H new ATOM 0 HD3 LYS A 68 5.915 -1.876 -14.030 1.00 65.32 H new ATOM 0 HE2 LYS A 68 6.842 -0.874 -16.051 1.00 4.34 H new ATOM 0 HE3 LYS A 68 5.492 0.089 -15.482 1.00 4.34 H new ATOM 0 HZ1 LYS A 68 7.440 1.406 -16.159 1.00 72.12 H new ATOM 0 HZ2 LYS A 68 6.989 1.681 -14.545 1.00 72.12 H new ATOM 0 HZ3 LYS A 68 8.338 0.712 -14.896 1.00 72.12 H new ATOM 1092 N ALA A 69 1.532 0.796 -11.956 1.00 12.24 N ATOM 1093 CA ALA A 69 0.173 1.192 -12.238 1.00 54.25 C ATOM 1094 C ALA A 69 -0.441 1.863 -11.017 1.00 34.14 C ATOM 1095 O ALA A 69 -1.340 2.692 -11.134 1.00 15.43 O ATOM 1096 CB ALA A 69 -0.645 -0.021 -12.642 1.00 40.34 C ATOM 0 H ALA A 69 1.620 -0.126 -11.529 1.00 12.24 H new ATOM 0 HA ALA A 69 0.174 1.905 -13.062 1.00 54.25 H new ATOM 0 HB1 ALA A 69 -1.670 0.285 -12.853 1.00 40.34 H new ATOM 0 HB2 ALA A 69 -0.210 -0.473 -13.534 1.00 40.34 H new ATOM 0 HB3 ALA A 69 -0.644 -0.748 -11.830 1.00 40.34 H new ATOM 1102 N ASP A 70 0.069 1.509 -9.847 1.00 45.54 N ATOM 1103 CA ASP A 70 -0.449 2.041 -8.592 1.00 71.34 C ATOM 1104 C ASP A 70 0.037 3.462 -8.336 1.00 15.20 C ATOM 1105 O ASP A 70 -0.636 4.245 -7.680 1.00 72.21 O ATOM 1106 CB ASP A 70 -0.062 1.140 -7.423 1.00 31.24 C ATOM 1107 CG ASP A 70 -0.694 1.584 -6.121 1.00 35.35 C ATOM 1108 OD1 ASP A 70 -1.939 1.508 -6.007 1.00 41.05 O ATOM 1109 OD2 ASP A 70 0.044 1.998 -5.206 1.00 3.22 O ATOM 0 H ASP A 70 0.843 0.854 -9.739 1.00 45.54 H new ATOM 0 HA ASP A 70 -1.535 2.067 -8.678 1.00 71.34 H new ATOM 0 HB2 ASP A 70 -0.365 0.116 -7.641 1.00 31.24 H new ATOM 0 HB3 ASP A 70 1.023 1.135 -7.315 1.00 31.24 H new ATOM 1114 N LYS A 71 1.196 3.807 -8.873 1.00 54.43 N ATOM 1115 CA LYS A 71 1.741 5.149 -8.683 1.00 55.41 C ATOM 1116 C LYS A 71 0.899 6.188 -9.415 1.00 74.13 C ATOM 1117 O LYS A 71 1.001 7.386 -9.145 1.00 62.35 O ATOM 1118 CB LYS A 71 3.201 5.219 -9.141 1.00 51.30 C ATOM 1119 CG LYS A 71 3.415 4.857 -10.601 1.00 12.44 C ATOM 1120 CD LYS A 71 4.885 4.938 -10.992 1.00 3.32 C ATOM 1121 CE LYS A 71 5.743 3.997 -10.154 1.00 22.11 C ATOM 1122 NZ LYS A 71 7.156 3.986 -10.601 1.00 62.11 N ATOM 0 H LYS A 71 1.775 3.187 -9.439 1.00 54.43 H new ATOM 0 HA LYS A 71 1.708 5.373 -7.617 1.00 55.41 H new ATOM 0 HB2 LYS A 71 3.575 6.228 -8.970 1.00 51.30 H new ATOM 0 HB3 LYS A 71 3.797 4.549 -8.521 1.00 51.30 H new ATOM 0 HG2 LYS A 71 3.045 3.848 -10.784 1.00 12.44 H new ATOM 0 HG3 LYS A 71 2.833 5.529 -11.232 1.00 12.44 H new ATOM 0 HD2 LYS A 71 4.995 4.689 -12.047 1.00 3.32 H new ATOM 0 HD3 LYS A 71 5.239 5.961 -10.868 1.00 3.32 H new ATOM 0 HE2 LYS A 71 5.696 4.299 -9.108 1.00 22.11 H new ATOM 0 HE3 LYS A 71 5.337 2.987 -10.213 1.00 22.11 H new ATOM 0 HZ1 LYS A 71 7.704 3.333 -10.005 1.00 62.11 H new ATOM 0 HZ2 LYS A 71 7.204 3.673 -11.592 1.00 62.11 H new ATOM 0 HZ3 LYS A 71 7.553 4.944 -10.521 1.00 62.11 H new ATOM 1136 N ALA A 72 0.035 5.713 -10.307 1.00 55.31 N ATOM 1137 CA ALA A 72 -0.839 6.570 -11.100 1.00 3.54 C ATOM 1138 C ALA A 72 -1.849 7.326 -10.235 1.00 22.12 C ATOM 1139 O ALA A 72 -2.534 8.219 -10.720 1.00 55.14 O ATOM 1140 CB ALA A 72 -1.562 5.755 -12.158 1.00 33.21 C ATOM 0 H ALA A 72 -0.079 4.718 -10.501 1.00 55.31 H new ATOM 0 HA ALA A 72 -0.206 7.312 -11.586 1.00 3.54 H new ATOM 0 HB1 ALA A 72 -2.210 6.409 -12.741 1.00 33.21 H new ATOM 0 HB2 ALA A 72 -0.832 5.286 -12.818 1.00 33.21 H new ATOM 0 HB3 ALA A 72 -2.163 4.984 -11.676 1.00 33.21 H new ATOM 1146 N ARG A 73 -1.939 6.976 -8.958 1.00 64.12 N ATOM 1147 CA ARG A 73 -2.887 7.642 -8.079 1.00 65.34 C ATOM 1148 C ARG A 73 -2.198 8.732 -7.265 1.00 62.21 C ATOM 1149 O ARG A 73 -2.839 9.666 -6.794 1.00 33.33 O ATOM 1150 CB ARG A 73 -3.669 6.645 -7.174 1.00 23.24 C ATOM 1151 CG ARG A 73 -2.828 5.683 -6.323 1.00 33.25 C ATOM 1152 CD ARG A 73 -2.152 6.367 -5.137 1.00 45.01 C ATOM 1153 NE ARG A 73 -3.108 7.082 -4.284 1.00 2.11 N ATOM 1154 CZ ARG A 73 -3.358 6.791 -3.004 1.00 44.34 C ATOM 1155 NH1 ARG A 73 -2.767 5.753 -2.418 1.00 4.35 N ATOM 1156 NH2 ARG A 73 -4.214 7.538 -2.316 1.00 75.12 N ATOM 0 H ARG A 73 -1.378 6.248 -8.516 1.00 64.12 H new ATOM 0 HA ARG A 73 -3.634 8.118 -8.713 1.00 65.34 H new ATOM 0 HB2 ARG A 73 -4.308 7.222 -6.505 1.00 23.24 H new ATOM 0 HB3 ARG A 73 -4.326 6.052 -7.810 1.00 23.24 H new ATOM 0 HG2 ARG A 73 -3.466 4.879 -5.956 1.00 33.25 H new ATOM 0 HG3 ARG A 73 -2.066 5.223 -6.952 1.00 33.25 H new ATOM 0 HD2 ARG A 73 -1.626 5.620 -4.542 1.00 45.01 H new ATOM 0 HD3 ARG A 73 -1.402 7.068 -5.504 1.00 45.01 H new ATOM 0 HE ARG A 73 -3.620 7.860 -4.699 1.00 2.11 H new ATOM 0 HH11 ARG A 73 -2.117 5.171 -2.946 1.00 4.35 H new ATOM 0 HH12 ARG A 73 -2.964 5.539 -1.440 1.00 4.35 H new ATOM 0 HH21 ARG A 73 -4.676 8.329 -2.765 1.00 75.12 H new ATOM 0 HH22 ARG A 73 -4.409 7.321 -1.339 1.00 75.12 H new ATOM 1170 N TYR A 74 -0.886 8.607 -7.104 1.00 33.33 N ATOM 1171 CA TYR A 74 -0.132 9.581 -6.340 1.00 3.23 C ATOM 1172 C TYR A 74 0.547 10.598 -7.257 1.00 52.20 C ATOM 1173 O TYR A 74 0.661 11.772 -6.907 1.00 65.23 O ATOM 1174 CB TYR A 74 0.885 8.885 -5.407 1.00 41.51 C ATOM 1175 CG TYR A 74 2.345 9.068 -5.782 1.00 54.41 C ATOM 1176 CD1 TYR A 74 3.073 10.157 -5.309 1.00 42.33 C ATOM 1177 CD2 TYR A 74 2.993 8.153 -6.598 1.00 71.31 C ATOM 1178 CE1 TYR A 74 4.398 10.325 -5.639 1.00 41.44 C ATOM 1179 CE2 TYR A 74 4.321 8.315 -6.931 1.00 44.24 C ATOM 1180 CZ TYR A 74 5.018 9.403 -6.449 1.00 74.43 C ATOM 1181 OH TYR A 74 6.338 9.568 -6.783 1.00 62.44 O ATOM 0 H TYR A 74 -0.330 7.845 -7.491 1.00 33.33 H new ATOM 0 HA TYR A 74 -0.832 10.130 -5.710 1.00 3.23 H new ATOM 0 HB2 TYR A 74 0.738 9.259 -4.394 1.00 41.51 H new ATOM 0 HB3 TYR A 74 0.663 7.818 -5.388 1.00 41.51 H new ATOM 0 HD1 TYR A 74 2.589 10.882 -4.672 1.00 42.33 H new ATOM 0 HD2 TYR A 74 2.449 7.301 -6.978 1.00 71.31 H new ATOM 0 HE1 TYR A 74 4.948 11.176 -5.264 1.00 41.44 H new ATOM 0 HE2 TYR A 74 4.813 7.593 -7.566 1.00 44.24 H new ATOM 0 HH TYR A 74 6.416 9.703 -7.751 1.00 62.44 H new ATOM 1191 N GLU A 75 0.992 10.137 -8.434 1.00 31.40 N ATOM 1192 CA GLU A 75 1.659 11.010 -9.402 1.00 41.11 C ATOM 1193 C GLU A 75 0.818 12.247 -9.696 1.00 33.44 C ATOM 1194 O GLU A 75 1.256 13.371 -9.445 1.00 62.43 O ATOM 1195 CB GLU A 75 1.969 10.255 -10.696 1.00 11.22 C ATOM 1196 CG GLU A 75 3.211 9.370 -10.626 1.00 34.45 C ATOM 1197 CD GLU A 75 4.493 10.170 -10.443 1.00 43.34 C ATOM 1198 OE1 GLU A 75 4.687 11.169 -11.169 1.00 45.13 O ATOM 1199 OE2 GLU A 75 5.321 9.794 -9.586 1.00 74.11 O ATOM 0 H GLU A 75 0.901 9.167 -8.736 1.00 31.40 H new ATOM 0 HA GLU A 75 2.601 11.336 -8.960 1.00 41.11 H new ATOM 0 HB2 GLU A 75 1.110 9.636 -10.956 1.00 11.22 H new ATOM 0 HB3 GLU A 75 2.097 10.977 -11.502 1.00 11.22 H new ATOM 0 HG2 GLU A 75 3.105 8.667 -9.800 1.00 34.45 H new ATOM 0 HG3 GLU A 75 3.283 8.780 -11.539 1.00 34.45 H new ATOM 1206 N ARG A 76 -0.388 12.036 -10.234 1.00 63.13 N ATOM 1207 CA ARG A 76 -1.336 13.123 -10.529 1.00 13.23 C ATOM 1208 C ARG A 76 -1.564 14.091 -9.352 1.00 24.20 C ATOM 1209 O ARG A 76 -1.991 15.229 -9.559 1.00 23.22 O ATOM 1210 CB ARG A 76 -2.670 12.535 -10.983 1.00 13.31 C ATOM 1211 CG ARG A 76 -3.366 11.680 -9.933 1.00 10.01 C ATOM 1212 CD ARG A 76 -4.625 11.041 -10.491 1.00 20.14 C ATOM 1213 NE ARG A 76 -4.320 10.062 -11.536 1.00 40.42 N ATOM 1214 CZ ARG A 76 -4.887 10.035 -12.744 1.00 14.13 C ATOM 1215 NH1 ARG A 76 -5.802 10.939 -13.075 1.00 31.11 N ATOM 1216 NH2 ARG A 76 -4.536 9.098 -13.617 1.00 1.32 N ATOM 0 H ARG A 76 -0.737 11.109 -10.478 1.00 63.13 H new ATOM 0 HA ARG A 76 -0.885 13.715 -11.326 1.00 13.23 H new ATOM 0 HB2 ARG A 76 -3.334 13.350 -11.270 1.00 13.31 H new ATOM 0 HB3 ARG A 76 -2.503 11.931 -11.875 1.00 13.31 H new ATOM 0 HG2 ARG A 76 -2.686 10.904 -9.583 1.00 10.01 H new ATOM 0 HG3 ARG A 76 -3.619 12.295 -9.069 1.00 10.01 H new ATOM 0 HD2 ARG A 76 -5.173 10.553 -9.685 1.00 20.14 H new ATOM 0 HD3 ARG A 76 -5.276 11.815 -10.897 1.00 20.14 H new ATOM 0 HE ARG A 76 -3.623 9.348 -11.325 1.00 40.42 H new ATOM 0 HH11 ARG A 76 -6.074 11.658 -12.405 1.00 31.11 H new ATOM 0 HH12 ARG A 76 -6.232 10.914 -13.999 1.00 31.11 H new ATOM 0 HH21 ARG A 76 -3.835 8.402 -13.364 1.00 1.32 H new ATOM 0 HH22 ARG A 76 -4.967 9.075 -14.541 1.00 1.32 H new ATOM 1230 N GLU A 77 -1.269 13.656 -8.142 1.00 24.51 N ATOM 1231 CA GLU A 77 -1.467 14.496 -6.974 1.00 24.43 C ATOM 1232 C GLU A 77 -0.273 15.413 -6.771 1.00 23.15 C ATOM 1233 O GLU A 77 -0.425 16.583 -6.431 1.00 41.20 O ATOM 1234 CB GLU A 77 -1.688 13.645 -5.724 1.00 52.11 C ATOM 1235 CG GLU A 77 -3.009 12.900 -5.709 1.00 51.35 C ATOM 1236 CD GLU A 77 -4.196 13.836 -5.729 1.00 61.12 C ATOM 1237 OE1 GLU A 77 -4.346 14.634 -4.772 1.00 42.12 O ATOM 1238 OE2 GLU A 77 -4.989 13.781 -6.695 1.00 43.33 O ATOM 0 H GLU A 77 -0.893 12.729 -7.941 1.00 24.51 H new ATOM 0 HA GLU A 77 -2.356 15.104 -7.142 1.00 24.43 H new ATOM 0 HB2 GLU A 77 -0.875 12.924 -5.640 1.00 52.11 H new ATOM 0 HB3 GLU A 77 -1.636 14.288 -4.845 1.00 52.11 H new ATOM 0 HG2 GLU A 77 -3.059 12.235 -6.572 1.00 51.35 H new ATOM 0 HG3 GLU A 77 -3.059 12.272 -4.820 1.00 51.35 H new ATOM 1245 N MET A 78 0.909 14.884 -7.020 1.00 62.12 N ATOM 1246 CA MET A 78 2.140 15.631 -6.820 1.00 74.02 C ATOM 1247 C MET A 78 2.411 16.562 -8.002 1.00 61.20 C ATOM 1248 O MET A 78 2.883 17.680 -7.830 1.00 44.41 O ATOM 1249 CB MET A 78 3.313 14.670 -6.623 1.00 5.11 C ATOM 1250 CG MET A 78 4.608 15.356 -6.228 1.00 24.01 C ATOM 1251 SD MET A 78 4.485 16.203 -4.642 1.00 43.22 S ATOM 1252 CE MET A 78 6.129 16.890 -4.513 1.00 23.14 C ATOM 0 H MET A 78 1.045 13.933 -7.364 1.00 62.12 H new ATOM 0 HA MET A 78 2.028 16.242 -5.924 1.00 74.02 H new ATOM 0 HB2 MET A 78 3.049 13.943 -5.855 1.00 5.11 H new ATOM 0 HB3 MET A 78 3.474 14.114 -7.547 1.00 5.11 H new ATOM 0 HG2 MET A 78 5.407 14.616 -6.180 1.00 24.01 H new ATOM 0 HG3 MET A 78 4.885 16.075 -6.999 1.00 24.01 H new ATOM 0 HE1 MET A 78 6.396 16.999 -3.462 1.00 23.14 H new ATOM 0 HE2 MET A 78 6.841 16.224 -5.001 1.00 23.14 H new ATOM 0 HE3 MET A 78 6.154 17.866 -4.997 1.00 23.14 H new ATOM 1262 N LYS A 79 2.101 16.093 -9.202 1.00 31.04 N ATOM 1263 CA LYS A 79 2.315 16.894 -10.413 1.00 31.12 C ATOM 1264 C LYS A 79 1.324 18.065 -10.510 1.00 10.50 C ATOM 1265 O LYS A 79 1.380 18.860 -11.452 1.00 21.34 O ATOM 1266 CB LYS A 79 2.266 16.006 -11.680 1.00 42.41 C ATOM 1267 CG LYS A 79 0.913 15.356 -11.974 1.00 43.54 C ATOM 1268 CD LYS A 79 -0.005 16.278 -12.769 1.00 31.44 C ATOM 1269 CE LYS A 79 -1.364 15.640 -13.009 1.00 30.14 C ATOM 1270 NZ LYS A 79 -2.277 16.547 -13.746 1.00 24.33 N ATOM 0 H LYS A 79 1.703 15.169 -9.370 1.00 31.04 H new ATOM 0 HA LYS A 79 3.313 17.328 -10.345 1.00 31.12 H new ATOM 0 HB2 LYS A 79 2.553 16.612 -12.539 1.00 42.41 H new ATOM 0 HB3 LYS A 79 3.014 15.219 -11.581 1.00 42.41 H new ATOM 0 HG2 LYS A 79 1.068 14.432 -12.531 1.00 43.54 H new ATOM 0 HG3 LYS A 79 0.430 15.085 -11.035 1.00 43.54 H new ATOM 0 HD2 LYS A 79 -0.133 17.218 -12.231 1.00 31.44 H new ATOM 0 HD3 LYS A 79 0.459 16.519 -13.725 1.00 31.44 H new ATOM 0 HE2 LYS A 79 -1.237 14.716 -13.573 1.00 30.14 H new ATOM 0 HE3 LYS A 79 -1.813 15.371 -12.053 1.00 30.14 H new ATOM 0 HZ1 LYS A 79 -3.193 16.076 -13.890 1.00 24.33 H new ATOM 0 HZ2 LYS A 79 -2.419 17.419 -13.197 1.00 24.33 H new ATOM 0 HZ3 LYS A 79 -1.861 16.784 -14.669 1.00 24.33 H new ATOM 1284 N THR A 80 0.424 18.166 -9.544 1.00 60.05 N ATOM 1285 CA THR A 80 -0.551 19.241 -9.530 1.00 71.21 C ATOM 1286 C THR A 80 -0.433 20.072 -8.248 1.00 72.34 C ATOM 1287 O THR A 80 -0.609 21.295 -8.265 1.00 31.40 O ATOM 1288 CB THR A 80 -1.986 18.688 -9.637 1.00 22.25 C ATOM 1289 OG1 THR A 80 -2.049 17.710 -10.683 1.00 52.52 O ATOM 1290 CG2 THR A 80 -2.975 19.807 -9.934 1.00 31.11 C ATOM 0 H THR A 80 0.350 17.516 -8.761 1.00 60.05 H new ATOM 0 HA THR A 80 -0.344 19.875 -10.392 1.00 71.21 H new ATOM 0 HB THR A 80 -2.250 18.230 -8.684 1.00 22.25 H new ATOM 0 HG1 THR A 80 -2.076 16.812 -10.290 1.00 52.52 H new ATOM 0 HG21 THR A 80 -3.981 19.394 -10.005 1.00 31.11 H new ATOM 0 HG22 THR A 80 -2.941 20.545 -9.132 1.00 31.11 H new ATOM 0 HG23 THR A 80 -2.711 20.285 -10.878 1.00 31.11 H new ATOM 1298 N TYR A 81 -0.118 19.410 -7.148 1.00 51.21 N ATOM 1299 CA TYR A 81 -0.010 20.077 -5.872 1.00 22.05 C ATOM 1300 C TYR A 81 1.440 20.223 -5.440 1.00 63.43 C ATOM 1301 O TYR A 81 2.199 19.253 -5.413 1.00 62.53 O ATOM 1302 CB TYR A 81 -0.807 19.317 -4.801 1.00 50.23 C ATOM 1303 CG TYR A 81 -0.591 19.839 -3.399 1.00 5.40 C ATOM 1304 CD1 TYR A 81 -1.241 20.981 -2.953 1.00 63.25 C ATOM 1305 CD2 TYR A 81 0.276 19.193 -2.523 1.00 23.21 C ATOM 1306 CE1 TYR A 81 -1.034 21.464 -1.678 1.00 64.24 C ATOM 1307 CE2 TYR A 81 0.487 19.672 -1.251 1.00 35.44 C ATOM 1308 CZ TYR A 81 -0.169 20.806 -0.833 1.00 74.54 C ATOM 1309 OH TYR A 81 0.045 21.287 0.432 1.00 15.12 O ATOM 0 H TYR A 81 0.067 18.407 -7.118 1.00 51.21 H new ATOM 0 HA TYR A 81 -0.429 21.077 -5.985 1.00 22.05 H new ATOM 0 HB2 TYR A 81 -1.869 19.375 -5.041 1.00 50.23 H new ATOM 0 HB3 TYR A 81 -0.530 18.263 -4.834 1.00 50.23 H new ATOM 0 HD1 TYR A 81 -1.919 21.499 -3.614 1.00 63.25 H new ATOM 0 HD2 TYR A 81 0.792 18.301 -2.847 1.00 23.21 H new ATOM 0 HE1 TYR A 81 -1.548 22.353 -1.344 1.00 64.24 H new ATOM 0 HE2 TYR A 81 1.165 19.160 -0.584 1.00 35.44 H new ATOM 0 HH TYR A 81 -0.604 20.887 1.048 1.00 15.12 H new ATOM 1319 N ILE A 82 1.815 21.434 -5.108 1.00 75.11 N ATOM 1320 CA ILE A 82 3.140 21.713 -4.615 1.00 54.21 C ATOM 1321 C ILE A 82 3.106 21.737 -3.089 1.00 51.44 C ATOM 1322 O ILE A 82 2.291 22.451 -2.496 1.00 31.51 O ATOM 1323 CB ILE A 82 3.690 23.078 -5.144 1.00 12.22 C ATOM 1324 CG1 ILE A 82 3.916 23.045 -6.669 1.00 62.25 C ATOM 1325 CG2 ILE A 82 4.982 23.453 -4.430 1.00 61.53 C ATOM 1326 CD1 ILE A 82 2.648 23.090 -7.499 1.00 20.55 C ATOM 0 H ILE A 82 1.210 22.253 -5.172 1.00 75.11 H new ATOM 0 HA ILE A 82 3.806 20.929 -4.975 1.00 54.21 H new ATOM 0 HB ILE A 82 2.937 23.837 -4.931 1.00 12.22 H new ATOM 0 HG12 ILE A 82 4.546 23.890 -6.947 1.00 62.25 H new ATOM 0 HG13 ILE A 82 4.467 22.139 -6.921 1.00 62.25 H new ATOM 0 HG21 ILE A 82 5.347 24.406 -4.814 1.00 61.53 H new ATOM 0 HG22 ILE A 82 4.794 23.541 -3.360 1.00 61.53 H new ATOM 0 HG23 ILE A 82 5.731 22.681 -4.604 1.00 61.53 H new ATOM 0 HD11 ILE A 82 2.905 23.063 -8.558 1.00 20.55 H new ATOM 0 HD12 ILE A 82 2.023 22.231 -7.255 1.00 20.55 H new ATOM 0 HD13 ILE A 82 2.103 24.009 -7.282 1.00 20.55 H new ATOM 1338 N PRO A 83 3.966 20.946 -2.429 1.00 51.50 N ATOM 1339 CA PRO A 83 4.020 20.893 -0.965 1.00 41.44 C ATOM 1340 C PRO A 83 4.356 22.257 -0.364 1.00 1.12 C ATOM 1341 O PRO A 83 5.094 23.043 -0.967 1.00 71.22 O ATOM 1342 CB PRO A 83 5.146 19.887 -0.678 1.00 45.01 C ATOM 1343 CG PRO A 83 5.935 19.821 -1.940 1.00 2.53 C ATOM 1344 CD PRO A 83 4.955 20.054 -3.049 1.00 63.22 C ATOM 0 HA PRO A 83 3.064 20.606 -0.528 1.00 41.44 H new ATOM 0 HB2 PRO A 83 5.765 20.215 0.157 1.00 45.01 H new ATOM 0 HB3 PRO A 83 4.744 18.909 -0.412 1.00 45.01 H new ATOM 0 HG2 PRO A 83 6.722 20.575 -1.949 1.00 2.53 H new ATOM 0 HG3 PRO A 83 6.422 18.852 -2.046 1.00 2.53 H new ATOM 0 HD2 PRO A 83 5.428 20.515 -3.916 1.00 63.22 H new ATOM 0 HD3 PRO A 83 4.502 19.123 -3.390 1.00 63.22 H new ATOM 1352 N PRO A 84 3.805 22.565 0.822 1.00 51.12 N ATOM 1353 CA PRO A 84 4.044 23.842 1.492 1.00 61.40 C ATOM 1354 C PRO A 84 5.514 24.023 1.821 1.00 53.20 C ATOM 1355 O PRO A 84 6.153 23.110 2.360 1.00 13.23 O ATOM 1356 CB PRO A 84 3.211 23.746 2.778 1.00 15.51 C ATOM 1357 CG PRO A 84 2.982 22.289 2.975 1.00 55.44 C ATOM 1358 CD PRO A 84 2.924 21.689 1.604 1.00 42.03 C ATOM 0 HA PRO A 84 3.770 24.694 0.870 1.00 61.40 H new ATOM 0 HB2 PRO A 84 3.740 24.181 3.626 1.00 15.51 H new ATOM 0 HB3 PRO A 84 2.269 24.285 2.680 1.00 15.51 H new ATOM 0 HG2 PRO A 84 3.786 21.844 3.562 1.00 55.44 H new ATOM 0 HG3 PRO A 84 2.054 22.110 3.518 1.00 55.44 H new ATOM 0 HD2 PRO A 84 3.274 20.657 1.600 1.00 42.03 H new ATOM 0 HD3 PRO A 84 1.908 21.682 1.209 1.00 42.03 H new ATOM 1366 N LYS A 85 6.048 25.198 1.482 1.00 24.22 N ATOM 1367 CA LYS A 85 7.459 25.519 1.706 1.00 2.24 C ATOM 1368 C LYS A 85 8.353 24.635 0.837 1.00 64.23 C ATOM 1369 O LYS A 85 9.545 24.465 1.118 1.00 33.44 O ATOM 1370 CB LYS A 85 7.825 25.362 3.191 1.00 54.23 C ATOM 1371 CG LYS A 85 7.060 26.299 4.122 1.00 20.02 C ATOM 1372 CD LYS A 85 7.316 25.961 5.585 1.00 54.23 C ATOM 1373 CE LYS A 85 8.780 26.131 5.954 1.00 15.44 C ATOM 1374 NZ LYS A 85 9.060 25.658 7.332 1.00 63.33 N ATOM 0 H LYS A 85 5.517 25.952 1.046 1.00 24.22 H new ATOM 0 HA LYS A 85 7.622 26.559 1.424 1.00 2.24 H new ATOM 0 HB2 LYS A 85 7.637 24.332 3.494 1.00 54.23 H new ATOM 0 HB3 LYS A 85 8.894 25.539 3.312 1.00 54.23 H new ATOM 0 HG2 LYS A 85 7.357 27.330 3.928 1.00 20.02 H new ATOM 0 HG3 LYS A 85 5.992 26.230 3.913 1.00 20.02 H new ATOM 0 HD2 LYS A 85 6.704 26.603 6.219 1.00 54.23 H new ATOM 0 HD3 LYS A 85 7.009 24.934 5.780 1.00 54.23 H new ATOM 0 HE2 LYS A 85 9.399 25.579 5.247 1.00 15.44 H new ATOM 0 HE3 LYS A 85 9.057 27.182 5.867 1.00 15.44 H new ATOM 0 HZ1 LYS A 85 10.069 25.791 7.546 1.00 63.33 H new ATOM 0 HZ2 LYS A 85 8.488 26.202 8.009 1.00 63.33 H new ATOM 0 HZ3 LYS A 85 8.820 24.649 7.408 1.00 63.33 H new ATOM 1388 N GLY A 86 7.769 24.087 -0.223 1.00 52.03 N ATOM 1389 CA GLY A 86 8.500 23.228 -1.122 1.00 22.43 C ATOM 1390 C GLY A 86 9.373 24.006 -2.076 1.00 15.52 C ATOM 1391 O GLY A 86 8.998 24.241 -3.231 1.00 60.45 O ATOM 0 H GLY A 86 6.790 24.228 -0.473 1.00 52.03 H new ATOM 0 HA2 GLY A 86 9.119 22.543 -0.543 1.00 22.43 H new ATOM 0 HA3 GLY A 86 7.797 22.619 -1.691 1.00 22.43 H new ATOM 1395 N GLU A 87 10.523 24.427 -1.592 1.00 31.22 N ATOM 1396 CA GLU A 87 11.471 25.159 -2.399 1.00 63.30 C ATOM 1397 C GLU A 87 12.365 24.193 -3.181 1.00 33.42 C ATOM 1398 O GLU A 87 13.363 23.706 -2.620 1.00 0.00 O ATOM 1399 CB GLU A 87 12.304 26.116 -1.521 1.00 25.10 C ATOM 1400 CG GLU A 87 12.882 25.476 -0.260 1.00 24.14 C ATOM 1401 CD GLU A 87 13.698 26.444 0.567 1.00 72.51 C ATOM 1402 OE1 GLU A 87 13.118 27.123 1.446 1.00 3.10 O ATOM 1403 OE2 GLU A 87 14.922 26.536 0.349 1.00 34.41 O ATOM 1404 OXT GLU A 87 12.053 23.912 -4.354 1.00 0.00 O ATOM 0 H GLU A 87 10.824 24.271 -0.630 1.00 31.22 H new ATOM 0 HA GLU A 87 10.924 25.765 -3.121 1.00 63.30 H new ATOM 0 HB2 GLU A 87 13.123 26.517 -2.118 1.00 25.10 H new ATOM 0 HB3 GLU A 87 11.678 26.960 -1.231 1.00 25.10 H new ATOM 0 HG2 GLU A 87 12.068 25.082 0.348 1.00 24.14 H new ATOM 0 HG3 GLU A 87 13.507 24.629 -0.542 1.00 24.14 H new TER 1411 GLU A 87