USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 Single : A 1 GLY N :NH3+ -126:sc= 0.123 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= 0.802 (180deg=0.365) USER MOD Single : A 16 CYS SG : rot 68:sc= 0.396 USER MOD Single : A 19 TYR OH : rot -170:sc= 1.03 USER MOD Single : A 35 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.023) USER MOD Single : A 40 SER OG : rot 180:sc= 0.267 USER MOD Single : A 41 SER OG : rot 180:sc=0.000663 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.28) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 160:sc= -0.281 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= -0.0274 (180deg=-0.417) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 27:sc= 0.0919 USER MOD Single : A 86 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.5!) USER MOD Single : A 88 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.38) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc=-0.00468 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.901 4.103 0.147 1.00 52.21 N ATOM 2 CA GLY A 1 6.126 3.671 -1.241 1.00 73.50 C ATOM 3 C GLY A 1 5.304 4.488 -2.206 1.00 12.53 C ATOM 4 O GLY A 1 4.922 5.591 -1.833 1.00 74.25 O ATOM 0 H1 GLY A 1 6.814 4.325 0.594 1.00 52.21 H new ATOM 0 H2 GLY A 1 5.297 4.950 0.154 1.00 52.21 H new ATOM 0 H3 GLY A 1 5.433 3.340 0.677 1.00 52.21 H new ATOM 0 HA2 GLY A 1 7.183 3.767 -1.488 1.00 73.50 H new ATOM 0 HA3 GLY A 1 5.869 2.617 -1.343 1.00 73.50 H new ATOM 8 N ALA A 2 5.044 4.010 -3.415 1.00 32.13 N ATOM 9 CA ALA A 2 4.242 4.744 -4.392 1.00 34.03 C ATOM 10 C ALA A 2 3.340 3.703 -5.058 1.00 41.12 C ATOM 11 O ALA A 2 3.673 2.534 -5.086 1.00 60.40 O ATOM 12 CB ALA A 2 5.136 5.413 -5.431 1.00 32.43 C ATOM 0 H ALA A 2 5.380 3.106 -3.748 1.00 32.13 H new ATOM 0 HA ALA A 2 3.662 5.535 -3.916 1.00 34.03 H new ATOM 0 HB1 ALA A 2 4.519 5.954 -6.148 1.00 32.43 H new ATOM 0 HB2 ALA A 2 5.811 6.110 -4.935 1.00 32.43 H new ATOM 0 HB3 ALA A 2 5.718 4.654 -5.953 1.00 32.43 H new ATOM 18 N MET A 3 2.188 4.142 -5.551 1.00 42.14 N ATOM 19 CA MET A 3 1.218 3.244 -6.184 1.00 52.52 C ATOM 20 C MET A 3 1.671 2.882 -7.589 1.00 73.35 C ATOM 21 O MET A 3 2.361 3.674 -8.255 1.00 23.35 O ATOM 22 CB MET A 3 -0.161 3.927 -6.257 1.00 75.14 C ATOM 23 CG MET A 3 -0.186 5.275 -6.967 1.00 45.43 C ATOM 24 SD MET A 3 -1.823 6.013 -6.963 1.00 51.50 S ATOM 25 CE MET A 3 -1.466 7.636 -7.631 1.00 14.40 C ATOM 0 H MET A 3 1.898 5.120 -5.526 1.00 42.14 H new ATOM 0 HA MET A 3 1.146 2.336 -5.585 1.00 52.52 H new ATOM 0 HB2 MET A 3 -0.854 3.255 -6.764 1.00 75.14 H new ATOM 0 HB3 MET A 3 -0.534 4.063 -5.242 1.00 75.14 H new ATOM 0 HG2 MET A 3 0.517 5.952 -6.482 1.00 45.43 H new ATOM 0 HG3 MET A 3 0.151 5.148 -7.996 1.00 45.43 H new ATOM 0 HE1 MET A 3 -2.387 8.216 -7.690 1.00 14.40 H new ATOM 0 HE2 MET A 3 -0.756 8.148 -6.982 1.00 14.40 H new ATOM 0 HE3 MET A 3 -1.037 7.533 -8.628 1.00 14.40 H new ATOM 35 N ALA A 4 1.273 1.723 -8.069 1.00 42.21 N ATOM 36 CA ALA A 4 1.615 1.329 -9.433 1.00 70.32 C ATOM 37 C ALA A 4 0.708 2.090 -10.414 1.00 70.43 C ATOM 38 O ALA A 4 -0.447 2.432 -10.084 1.00 14.13 O ATOM 39 CB ALA A 4 1.405 -0.208 -9.631 1.00 3.40 C ATOM 0 H ALA A 4 0.720 1.041 -7.550 1.00 42.21 H new ATOM 0 HA ALA A 4 2.662 1.567 -9.618 1.00 70.32 H new ATOM 0 HB1 ALA A 4 1.665 -0.482 -10.653 1.00 3.40 H new ATOM 0 HB2 ALA A 4 2.042 -0.755 -8.936 1.00 3.40 H new ATOM 0 HB3 ALA A 4 0.361 -0.460 -9.442 1.00 3.40 H new ATOM 45 N LYS A 5 1.196 2.308 -11.617 1.00 24.04 N ATOM 46 CA LYS A 5 0.374 2.861 -12.668 1.00 30.05 C ATOM 47 C LYS A 5 -0.435 1.699 -13.224 1.00 42.13 C ATOM 48 O LYS A 5 0.078 0.572 -13.288 1.00 63.31 O ATOM 49 CB LYS A 5 1.221 3.466 -13.807 1.00 4.11 C ATOM 50 CG LYS A 5 1.973 4.715 -13.407 1.00 64.01 C ATOM 51 CD LYS A 5 2.639 5.351 -14.587 1.00 62.13 C ATOM 52 CE LYS A 5 3.395 6.616 -14.198 1.00 31.32 C ATOM 53 NZ LYS A 5 4.048 7.278 -15.399 1.00 24.40 N ATOM 0 H LYS A 5 2.159 2.110 -11.890 1.00 24.04 H new ATOM 0 HA LYS A 5 -0.248 3.662 -12.269 1.00 30.05 H new ATOM 0 HB2 LYS A 5 1.934 2.718 -14.154 1.00 4.11 H new ATOM 0 HB3 LYS A 5 0.569 3.699 -14.649 1.00 4.11 H new ATOM 0 HG2 LYS A 5 1.285 5.425 -12.949 1.00 64.01 H new ATOM 0 HG3 LYS A 5 2.722 4.466 -12.655 1.00 64.01 H new ATOM 0 HD2 LYS A 5 3.330 4.640 -15.041 1.00 62.13 H new ATOM 0 HD3 LYS A 5 1.889 5.593 -15.340 1.00 62.13 H new ATOM 0 HE2 LYS A 5 2.708 7.318 -13.725 1.00 31.32 H new ATOM 0 HE3 LYS A 5 4.158 6.370 -13.460 1.00 31.32 H new ATOM 0 HZ1 LYS A 5 4.552 8.134 -15.092 1.00 24.40 H new ATOM 0 HZ2 LYS A 5 4.722 6.617 -15.836 1.00 24.40 H new ATOM 0 HZ3 LYS A 5 3.318 7.536 -16.093 1.00 24.40 H new ATOM 67 N ALA A 6 -1.636 1.959 -13.687 1.00 63.02 N ATOM 68 CA ALA A 6 -2.445 0.949 -14.342 1.00 54.41 C ATOM 69 C ALA A 6 -1.752 0.646 -15.675 1.00 45.40 C ATOM 70 O ALA A 6 -1.061 1.520 -16.196 1.00 55.21 O ATOM 71 CB ALA A 6 -3.894 1.460 -14.577 1.00 64.52 C ATOM 0 H ALA A 6 -2.082 2.874 -13.622 1.00 63.02 H new ATOM 0 HA ALA A 6 -2.529 0.054 -13.726 1.00 54.41 H new ATOM 0 HB1 ALA A 6 -4.478 0.683 -15.069 1.00 64.52 H new ATOM 0 HB2 ALA A 6 -4.352 1.707 -13.619 1.00 64.52 H new ATOM 0 HB3 ALA A 6 -3.869 2.349 -15.207 1.00 64.52 H new ATOM 77 N PRO A 7 -1.936 -0.561 -16.232 1.00 10.33 N ATOM 78 CA PRO A 7 -1.295 -0.758 -17.534 1.00 4.30 C ATOM 79 C PRO A 7 -1.919 0.044 -18.656 1.00 1.22 C ATOM 80 O PRO A 7 -3.037 0.531 -18.538 1.00 33.23 O ATOM 81 CB PRO A 7 -1.467 -2.251 -17.784 1.00 5.23 C ATOM 82 CG PRO A 7 -2.711 -2.603 -17.092 1.00 21.33 C ATOM 83 CD PRO A 7 -2.680 -1.776 -15.824 1.00 52.15 C ATOM 0 HA PRO A 7 -0.259 -0.418 -17.516 1.00 4.30 H new ATOM 0 HB2 PRO A 7 -1.531 -2.469 -18.850 1.00 5.23 H new ATOM 0 HB3 PRO A 7 -0.622 -2.818 -17.393 1.00 5.23 H new ATOM 0 HG2 PRO A 7 -3.585 -2.367 -17.700 1.00 21.33 H new ATOM 0 HG3 PRO A 7 -2.755 -3.669 -16.871 1.00 21.33 H new ATOM 0 HD2 PRO A 7 -3.684 -1.535 -15.475 1.00 52.15 H new ATOM 0 HD3 PRO A 7 -2.178 -2.302 -15.012 1.00 52.15 H new ATOM 91 N GLU A 8 -1.169 0.172 -19.748 1.00 31.11 N ATOM 92 CA GLU A 8 -1.632 0.916 -20.915 1.00 73.34 C ATOM 93 C GLU A 8 -2.915 0.293 -21.488 1.00 14.32 C ATOM 94 O GLU A 8 -3.159 -0.910 -21.376 1.00 11.33 O ATOM 95 CB GLU A 8 -0.553 0.902 -21.984 1.00 62.41 C ATOM 96 CG GLU A 8 0.618 1.828 -21.689 1.00 25.25 C ATOM 97 CD GLU A 8 1.631 1.855 -22.823 1.00 53.54 C ATOM 98 OE1 GLU A 8 1.225 2.038 -24.012 1.00 60.42 O ATOM 99 OE2 GLU A 8 2.819 1.712 -22.534 1.00 41.35 O ATOM 0 H GLU A 8 -0.237 -0.231 -19.848 1.00 31.11 H new ATOM 0 HA GLU A 8 -1.846 1.940 -20.608 1.00 73.34 H new ATOM 0 HB2 GLU A 8 -0.180 -0.116 -22.096 1.00 62.41 H new ATOM 0 HB3 GLU A 8 -0.997 1.186 -22.938 1.00 62.41 H new ATOM 0 HG2 GLU A 8 0.245 2.837 -21.513 1.00 25.25 H new ATOM 0 HG3 GLU A 8 1.111 1.506 -20.772 1.00 25.25 H new ATOM 106 N SER A 9 -3.722 1.126 -22.119 1.00 34.03 N ATOM 107 CA SER A 9 -5.007 0.694 -22.667 1.00 1.53 C ATOM 108 C SER A 9 -4.983 0.799 -24.195 1.00 60.51 C ATOM 109 O SER A 9 -4.320 1.659 -24.768 1.00 74.02 O ATOM 110 CB SER A 9 -6.153 1.533 -22.101 1.00 75.41 C ATOM 111 OG SER A 9 -6.193 1.438 -20.689 1.00 3.23 O ATOM 0 H SER A 9 -3.514 2.113 -22.268 1.00 34.03 H new ATOM 0 HA SER A 9 -5.172 -0.344 -22.380 1.00 1.53 H new ATOM 0 HB2 SER A 9 -6.028 2.575 -22.397 1.00 75.41 H new ATOM 0 HB3 SER A 9 -7.100 1.194 -22.520 1.00 75.41 H new ATOM 0 HG SER A 9 -6.932 1.983 -20.345 1.00 3.23 H new ATOM 117 N ALA A 10 -5.757 -0.062 -24.848 1.00 50.00 N ATOM 118 CA ALA A 10 -5.839 -0.075 -26.313 1.00 41.43 C ATOM 119 C ALA A 10 -6.420 1.228 -26.838 1.00 14.10 C ATOM 120 O ALA A 10 -6.014 1.706 -27.880 1.00 23.35 O ATOM 121 CB ALA A 10 -6.672 -1.269 -26.774 1.00 43.01 C ATOM 0 H ALA A 10 -6.339 -0.763 -24.389 1.00 50.00 H new ATOM 0 HA ALA A 10 -4.832 -0.172 -26.719 1.00 41.43 H new ATOM 0 HB1 ALA A 10 -6.730 -1.274 -27.862 1.00 43.01 H new ATOM 0 HB2 ALA A 10 -6.205 -2.192 -26.431 1.00 43.01 H new ATOM 0 HB3 ALA A 10 -7.677 -1.194 -26.358 1.00 43.01 H new ATOM 127 N THR A 11 -7.358 1.796 -26.088 1.00 22.53 N ATOM 128 CA THR A 11 -8.027 3.046 -26.449 1.00 75.11 C ATOM 129 C THR A 11 -7.010 4.174 -26.699 1.00 23.24 C ATOM 130 O THR A 11 -7.141 4.939 -27.623 1.00 75.44 O ATOM 131 CB THR A 11 -8.985 3.501 -25.299 1.00 65.12 C ATOM 132 OG1 THR A 11 -9.711 2.377 -24.838 1.00 43.13 O ATOM 133 CG2 THR A 11 -9.959 4.600 -25.779 1.00 12.22 C ATOM 0 H THR A 11 -7.680 1.401 -25.205 1.00 22.53 H new ATOM 0 HA THR A 11 -8.591 2.857 -27.363 1.00 75.11 H new ATOM 0 HB THR A 11 -8.388 3.921 -24.490 1.00 65.12 H new ATOM 0 HG1 THR A 11 -10.314 2.651 -24.115 1.00 43.13 H new ATOM 0 HG21 THR A 11 -10.611 4.894 -24.956 1.00 12.22 H new ATOM 0 HG22 THR A 11 -9.391 5.466 -26.119 1.00 12.22 H new ATOM 0 HG23 THR A 11 -10.563 4.217 -26.601 1.00 12.22 H new ATOM 141 N GLU A 12 -5.979 4.229 -25.864 1.00 53.15 N ATOM 142 CA GLU A 12 -4.937 5.274 -25.945 1.00 12.25 C ATOM 143 C GLU A 12 -4.213 5.191 -27.245 1.00 73.35 C ATOM 144 O GLU A 12 -3.810 6.188 -27.791 1.00 40.14 O ATOM 145 CB GLU A 12 -3.916 5.104 -24.824 1.00 43.25 C ATOM 146 CG GLU A 12 -4.537 5.082 -23.434 1.00 4.22 C ATOM 147 CD GLU A 12 -3.547 4.640 -22.377 1.00 34.15 C ATOM 148 OE1 GLU A 12 -2.699 3.762 -22.688 1.00 33.54 O ATOM 149 OE2 GLU A 12 -3.679 5.073 -21.240 1.00 2.45 O ATOM 0 H GLU A 12 -5.832 3.558 -25.110 1.00 53.15 H new ATOM 0 HA GLU A 12 -5.434 6.240 -25.854 1.00 12.25 H new ATOM 0 HB2 GLU A 12 -3.366 4.176 -24.982 1.00 43.25 H new ATOM 0 HB3 GLU A 12 -3.192 5.917 -24.877 1.00 43.25 H new ATOM 0 HG2 GLU A 12 -4.910 6.076 -23.188 1.00 4.22 H new ATOM 0 HG3 GLU A 12 -5.395 4.410 -23.431 1.00 4.22 H new ATOM 156 N LYS A 13 -4.029 3.979 -27.739 1.00 73.24 N ATOM 157 CA LYS A 13 -3.247 3.787 -28.966 1.00 60.24 C ATOM 158 C LYS A 13 -4.004 4.276 -30.197 1.00 22.14 C ATOM 159 O LYS A 13 -3.437 4.822 -31.113 1.00 73.33 O ATOM 160 CB LYS A 13 -2.908 2.321 -29.125 1.00 20.23 C ATOM 161 CG LYS A 13 -2.242 1.653 -27.883 1.00 73.21 C ATOM 162 CD LYS A 13 -0.865 2.219 -27.524 1.00 43.34 C ATOM 163 CE LYS A 13 -0.906 3.288 -26.443 1.00 65.32 C ATOM 164 NZ LYS A 13 -1.268 2.701 -25.101 1.00 72.12 N ATOM 0 H LYS A 13 -4.399 3.123 -27.325 1.00 73.24 H new ATOM 0 HA LYS A 13 -2.333 4.375 -28.880 1.00 60.24 H new ATOM 0 HB2 LYS A 13 -3.822 1.777 -29.363 1.00 20.23 H new ATOM 0 HB3 LYS A 13 -2.240 2.210 -29.979 1.00 20.23 H new ATOM 0 HG2 LYS A 13 -2.904 1.768 -27.025 1.00 73.21 H new ATOM 0 HG3 LYS A 13 -2.145 0.583 -28.069 1.00 73.21 H new ATOM 0 HD2 LYS A 13 -0.222 1.404 -27.192 1.00 43.34 H new ATOM 0 HD3 LYS A 13 -0.410 2.639 -28.421 1.00 43.34 H new ATOM 0 HE2 LYS A 13 0.065 3.778 -26.377 1.00 65.32 H new ATOM 0 HE3 LYS A 13 -1.632 4.054 -26.714 1.00 65.32 H new ATOM 0 HZ1 LYS A 13 -1.568 3.462 -24.459 1.00 72.12 H new ATOM 0 HZ2 LYS A 13 -2.046 2.020 -25.218 1.00 72.12 H new ATOM 0 HZ3 LYS A 13 -0.440 2.216 -24.700 1.00 72.12 H new ATOM 178 N VAL A 14 -5.319 4.085 -30.180 1.00 25.14 N ATOM 179 CA VAL A 14 -6.191 4.534 -31.252 1.00 24.53 C ATOM 180 C VAL A 14 -6.129 6.060 -31.229 1.00 70.13 C ATOM 181 O VAL A 14 -5.966 6.707 -32.254 1.00 43.30 O ATOM 182 CB VAL A 14 -7.660 4.065 -31.018 1.00 42.31 C ATOM 183 CG1 VAL A 14 -8.582 4.681 -32.079 1.00 75.54 C ATOM 184 CG2 VAL A 14 -7.768 2.562 -31.070 1.00 65.12 C ATOM 0 H VAL A 14 -5.808 3.613 -29.419 1.00 25.14 H new ATOM 0 HA VAL A 14 -5.872 4.121 -32.209 1.00 24.53 H new ATOM 0 HB VAL A 14 -7.965 4.399 -30.026 1.00 42.31 H new ATOM 0 HG11 VAL A 14 -9.606 4.348 -31.909 1.00 75.54 H new ATOM 0 HG12 VAL A 14 -8.538 5.768 -32.013 1.00 75.54 H new ATOM 0 HG13 VAL A 14 -8.258 4.365 -33.070 1.00 75.54 H new ATOM 0 HG21 VAL A 14 -8.804 2.266 -30.903 1.00 65.12 H new ATOM 0 HG22 VAL A 14 -7.442 2.207 -32.048 1.00 65.12 H new ATOM 0 HG23 VAL A 14 -7.137 2.125 -30.296 1.00 65.12 H new ATOM 194 N LEU A 15 -6.196 6.622 -30.028 1.00 63.24 N ATOM 195 CA LEU A 15 -6.149 8.050 -29.857 1.00 31.14 C ATOM 196 C LEU A 15 -4.825 8.630 -30.289 1.00 35.14 C ATOM 197 O LEU A 15 -4.818 9.653 -30.952 1.00 63.34 O ATOM 198 CB LEU A 15 -6.432 8.385 -28.409 1.00 60.05 C ATOM 199 CG LEU A 15 -7.872 8.167 -27.913 1.00 4.53 C ATOM 200 CD1 LEU A 15 -7.864 8.154 -26.385 1.00 40.22 C ATOM 201 CD2 LEU A 15 -8.801 9.245 -28.443 1.00 51.53 C ATOM 0 H LEU A 15 -6.284 6.097 -29.158 1.00 63.24 H new ATOM 0 HA LEU A 15 -6.911 8.497 -30.496 1.00 31.14 H new ATOM 0 HB2 LEU A 15 -5.765 7.789 -27.786 1.00 60.05 H new ATOM 0 HB3 LEU A 15 -6.171 9.431 -28.245 1.00 60.05 H new ATOM 0 HG LEU A 15 -8.245 7.213 -28.285 1.00 4.53 H new ATOM 0 HD11 LEU A 15 -8.878 8.000 -26.017 1.00 40.22 H new ATOM 0 HD12 LEU A 15 -7.223 7.346 -26.031 1.00 40.22 H new ATOM 0 HD13 LEU A 15 -7.484 9.106 -26.015 1.00 40.22 H new ATOM 0 HD21 LEU A 15 -9.812 9.066 -28.077 1.00 51.53 H new ATOM 0 HD22 LEU A 15 -8.458 10.221 -28.100 1.00 51.53 H new ATOM 0 HD23 LEU A 15 -8.800 9.222 -29.533 1.00 51.53 H new ATOM 213 N CYS A 16 -3.715 7.947 -30.002 1.00 55.31 N ATOM 214 CA CYS A 16 -2.397 8.406 -30.444 1.00 21.13 C ATOM 215 C CYS A 16 -2.305 8.543 -31.980 1.00 51.03 C ATOM 216 O CYS A 16 -1.794 9.519 -32.491 1.00 11.35 O ATOM 217 CB CYS A 16 -1.303 7.434 -29.986 1.00 40.53 C ATOM 218 SG CYS A 16 -0.925 7.468 -28.210 1.00 33.54 S ATOM 0 H CYS A 16 -3.702 7.078 -29.468 1.00 55.31 H new ATOM 0 HA CYS A 16 -2.251 9.388 -29.994 1.00 21.13 H new ATOM 0 HB2 CYS A 16 -1.603 6.422 -30.257 1.00 40.53 H new ATOM 0 HB3 CYS A 16 -0.390 7.655 -30.539 1.00 40.53 H new ATOM 0 HG CYS A 16 -1.940 7.006 -27.541 1.00 33.54 H new ATOM 224 N ALA A 17 -2.775 7.551 -32.713 1.00 50.24 N ATOM 225 CA ALA A 17 -2.709 7.590 -34.161 1.00 71.14 C ATOM 226 C ALA A 17 -3.654 8.672 -34.721 1.00 51.13 C ATOM 227 O ALA A 17 -3.342 9.341 -35.719 1.00 52.04 O ATOM 228 CB ALA A 17 -3.073 6.196 -34.735 1.00 42.41 C ATOM 0 H ALA A 17 -3.206 6.710 -32.330 1.00 50.24 H new ATOM 0 HA ALA A 17 -1.693 7.845 -34.463 1.00 71.14 H new ATOM 0 HB1 ALA A 17 -3.023 6.226 -35.823 1.00 42.41 H new ATOM 0 HB2 ALA A 17 -2.369 5.453 -34.360 1.00 42.41 H new ATOM 0 HB3 ALA A 17 -4.083 5.927 -34.425 1.00 42.41 H new ATOM 234 N LEU A 18 -4.799 8.834 -34.089 1.00 21.02 N ATOM 235 CA LEU A 18 -5.775 9.838 -34.509 1.00 72.32 C ATOM 236 C LEU A 18 -5.255 11.226 -34.198 1.00 34.11 C ATOM 237 O LEU A 18 -5.515 12.161 -34.952 1.00 52.42 O ATOM 238 CB LEU A 18 -7.090 9.632 -33.733 1.00 32.21 C ATOM 239 CG LEU A 18 -8.192 8.934 -34.570 1.00 31.51 C ATOM 240 CD1 LEU A 18 -7.735 7.554 -35.138 1.00 31.00 C ATOM 241 CD2 LEU A 18 -9.450 8.791 -33.719 1.00 73.33 C ATOM 0 H LEU A 18 -5.084 8.284 -33.278 1.00 21.02 H new ATOM 0 HA LEU A 18 -5.944 9.735 -35.581 1.00 72.32 H new ATOM 0 HB2 LEU A 18 -6.889 9.037 -32.842 1.00 32.21 H new ATOM 0 HB3 LEU A 18 -7.459 10.600 -33.394 1.00 32.21 H new ATOM 0 HG LEU A 18 -8.404 9.558 -35.438 1.00 31.51 H new ATOM 0 HD11 LEU A 18 -8.547 7.111 -35.715 1.00 31.00 H new ATOM 0 HD12 LEU A 18 -6.867 7.695 -35.782 1.00 31.00 H new ATOM 0 HD13 LEU A 18 -7.472 6.891 -34.314 1.00 31.00 H new ATOM 0 HD21 LEU A 18 -10.230 8.301 -34.302 1.00 73.33 H new ATOM 0 HD22 LEU A 18 -9.226 8.192 -32.836 1.00 73.33 H new ATOM 0 HD23 LEU A 18 -9.794 9.778 -33.410 1.00 73.33 H new ATOM 253 N TYR A 19 -4.464 11.376 -33.166 1.00 52.42 N ATOM 254 CA TYR A 19 -3.834 12.656 -32.872 1.00 24.52 C ATOM 255 C TYR A 19 -2.904 12.967 -34.061 1.00 52.24 C ATOM 256 O TYR A 19 -2.950 14.070 -34.587 1.00 71.10 O ATOM 257 CB TYR A 19 -2.998 12.595 -31.590 1.00 4.14 C ATOM 258 CG TYR A 19 -3.724 13.010 -30.320 1.00 60.41 C ATOM 259 CD1 TYR A 19 -5.015 12.519 -30.005 1.00 23.42 C ATOM 260 CD2 TYR A 19 -3.081 13.849 -29.382 1.00 71.43 C ATOM 261 CE1 TYR A 19 -5.641 12.861 -28.789 1.00 0.34 C ATOM 262 CE2 TYR A 19 -3.719 14.187 -28.159 1.00 2.11 C ATOM 263 CZ TYR A 19 -4.990 13.697 -27.882 1.00 43.12 C ATOM 264 OH TYR A 19 -5.626 14.014 -26.708 1.00 74.34 O ATOM 0 H TYR A 19 -4.235 10.631 -32.508 1.00 52.42 H new ATOM 0 HA TYR A 19 -4.598 13.420 -32.727 1.00 24.52 H new ATOM 0 HB2 TYR A 19 -2.632 11.576 -31.463 1.00 4.14 H new ATOM 0 HB3 TYR A 19 -2.124 13.235 -31.715 1.00 4.14 H new ATOM 0 HD1 TYR A 19 -5.526 11.875 -30.705 1.00 23.42 H new ATOM 0 HD2 TYR A 19 -2.096 14.236 -29.597 1.00 71.43 H new ATOM 0 HE1 TYR A 19 -6.624 12.476 -28.560 1.00 0.34 H new ATOM 0 HE2 TYR A 19 -3.217 14.824 -27.445 1.00 2.11 H new ATOM 0 HH TYR A 19 -5.128 14.720 -26.246 1.00 74.34 H new ATOM 274 N ALA A 20 -2.117 11.995 -34.504 1.00 41.15 N ATOM 275 CA ALA A 20 -1.199 12.222 -35.584 1.00 34.14 C ATOM 276 C ALA A 20 -1.825 12.607 -36.928 1.00 31.41 C ATOM 277 O ALA A 20 -1.352 13.491 -37.603 1.00 45.44 O ATOM 278 CB ALA A 20 -0.306 10.984 -35.780 1.00 53.42 C ATOM 0 H ALA A 20 -2.105 11.048 -34.125 1.00 41.15 H new ATOM 0 HA ALA A 20 -0.625 13.095 -35.274 1.00 34.14 H new ATOM 0 HB1 ALA A 20 0.388 11.163 -36.601 1.00 53.42 H new ATOM 0 HB2 ALA A 20 0.255 10.792 -34.866 1.00 53.42 H new ATOM 0 HB3 ALA A 20 -0.928 10.120 -36.013 1.00 53.42 H new ATOM 284 N GLU A 21 -2.930 12.011 -37.288 1.00 71.04 N ATOM 285 CA GLU A 21 -3.579 12.314 -38.563 1.00 32.24 C ATOM 286 C GLU A 21 -4.262 13.679 -38.541 1.00 61.52 C ATOM 287 O GLU A 21 -4.370 14.330 -39.580 1.00 54.53 O ATOM 288 CB GLU A 21 -4.617 11.234 -38.932 1.00 43.13 C ATOM 289 CG GLU A 21 -5.955 11.273 -38.266 1.00 73.23 C ATOM 290 CD GLU A 21 -6.914 10.241 -38.741 1.00 24.51 C ATOM 291 OE1 GLU A 21 -7.495 10.413 -39.835 1.00 1.45 O ATOM 292 OE2 GLU A 21 -7.162 9.269 -38.000 1.00 11.13 O ATOM 0 H GLU A 21 -3.411 11.310 -36.725 1.00 71.04 H new ATOM 0 HA GLU A 21 -2.791 12.329 -39.316 1.00 32.24 H new ATOM 0 HB2 GLU A 21 -4.781 11.286 -40.008 1.00 43.13 H new ATOM 0 HB3 GLU A 21 -4.171 10.261 -38.724 1.00 43.13 H new ATOM 0 HG2 GLU A 21 -5.815 11.153 -37.192 1.00 73.23 H new ATOM 0 HG3 GLU A 21 -6.395 12.258 -38.422 1.00 73.23 H new ATOM 299 N ILE A 22 -4.681 14.132 -37.360 1.00 10.54 N ATOM 300 CA ILE A 22 -5.367 15.395 -37.242 1.00 31.15 C ATOM 301 C ILE A 22 -4.413 16.592 -37.063 1.00 32.34 C ATOM 302 O ILE A 22 -4.631 17.681 -37.605 1.00 41.50 O ATOM 303 CB ILE A 22 -6.363 15.325 -36.001 1.00 73.23 C ATOM 304 CG1 ILE A 22 -7.508 14.362 -36.318 1.00 25.41 C ATOM 305 CG2 ILE A 22 -6.933 16.716 -35.666 1.00 54.20 C ATOM 306 CD1 ILE A 22 -8.456 14.775 -37.445 1.00 20.33 C ATOM 0 H ILE A 22 -4.552 13.635 -36.478 1.00 10.54 H new ATOM 0 HA ILE A 22 -5.906 15.559 -38.175 1.00 31.15 H new ATOM 0 HB ILE A 22 -5.807 14.967 -35.134 1.00 73.23 H new ATOM 0 HG12 ILE A 22 -7.078 13.393 -36.572 1.00 25.41 H new ATOM 0 HG13 ILE A 22 -8.097 14.222 -35.411 1.00 25.41 H new ATOM 0 HG21 ILE A 22 -7.609 16.637 -34.815 1.00 54.20 H new ATOM 0 HG22 ILE A 22 -6.116 17.394 -35.418 1.00 54.20 H new ATOM 0 HG23 ILE A 22 -7.477 17.103 -36.527 1.00 54.20 H new ATOM 0 HD11 ILE A 22 -9.223 14.012 -37.573 1.00 20.33 H new ATOM 0 HD12 ILE A 22 -8.928 15.725 -37.194 1.00 20.33 H new ATOM 0 HD13 ILE A 22 -7.893 14.883 -38.372 1.00 20.33 H new ATOM 318 N LEU A 23 -3.370 16.372 -36.318 1.00 71.31 N ATOM 319 CA LEU A 23 -2.396 17.415 -36.011 1.00 43.41 C ATOM 320 C LEU A 23 -1.397 17.486 -37.168 1.00 54.00 C ATOM 321 O LEU A 23 -0.772 18.499 -37.421 1.00 12.20 O ATOM 322 CB LEU A 23 -1.655 17.097 -34.710 1.00 22.41 C ATOM 323 CG LEU A 23 -2.534 17.152 -33.440 1.00 71.14 C ATOM 324 CD1 LEU A 23 -1.931 16.321 -32.327 1.00 71.12 C ATOM 325 CD2 LEU A 23 -2.650 18.587 -32.994 1.00 13.44 C ATOM 0 H LEU A 23 -3.157 15.467 -35.898 1.00 71.31 H new ATOM 0 HA LEU A 23 -2.908 18.369 -35.884 1.00 43.41 H new ATOM 0 HB2 LEU A 23 -1.217 16.102 -34.790 1.00 22.41 H new ATOM 0 HB3 LEU A 23 -0.830 17.800 -34.596 1.00 22.41 H new ATOM 0 HG LEU A 23 -3.518 16.745 -33.671 1.00 71.14 H new ATOM 0 HD11 LEU A 23 -2.569 16.377 -31.445 1.00 71.12 H new ATOM 0 HD12 LEU A 23 -1.849 15.283 -32.651 1.00 71.12 H new ATOM 0 HD13 LEU A 23 -0.940 16.704 -32.083 1.00 71.12 H new ATOM 0 HD21 LEU A 23 -3.268 18.641 -32.098 1.00 13.44 H new ATOM 0 HD22 LEU A 23 -1.658 18.981 -32.774 1.00 13.44 H new ATOM 0 HD23 LEU A 23 -3.108 19.178 -33.787 1.00 13.44 H new ATOM 337 N GLY A 24 -1.269 16.394 -37.893 1.00 64.13 N ATOM 338 CA GLY A 24 -0.348 16.320 -39.014 1.00 15.02 C ATOM 339 C GLY A 24 1.083 16.151 -38.574 1.00 43.20 C ATOM 340 O GLY A 24 1.989 16.410 -39.381 1.00 73.13 O ATOM 0 H GLY A 24 -1.796 15.537 -37.726 1.00 64.13 H new ATOM 0 HA2 GLY A 24 -0.628 15.485 -39.656 1.00 15.02 H new ATOM 0 HA3 GLY A 24 -0.436 17.226 -39.613 1.00 15.02 H new ATOM 344 N VAL A 25 1.303 15.694 -37.340 1.00 43.11 N ATOM 345 CA VAL A 25 2.657 15.544 -36.813 1.00 14.42 C ATOM 346 C VAL A 25 3.165 14.157 -37.109 1.00 3.14 C ATOM 347 O VAL A 25 2.385 13.255 -37.439 1.00 4.43 O ATOM 348 CB VAL A 25 2.709 15.790 -35.269 1.00 11.14 C ATOM 349 CG1 VAL A 25 2.344 17.280 -34.985 1.00 34.50 C ATOM 350 CG2 VAL A 25 1.715 14.857 -34.497 1.00 44.43 C ATOM 0 H VAL A 25 0.564 15.423 -36.691 1.00 43.11 H new ATOM 0 HA VAL A 25 3.286 16.290 -37.298 1.00 14.42 H new ATOM 0 HB VAL A 25 3.717 15.564 -34.920 1.00 11.14 H new ATOM 0 HG11 VAL A 25 2.377 17.464 -33.911 1.00 34.50 H new ATOM 0 HG12 VAL A 25 3.059 17.932 -35.487 1.00 34.50 H new ATOM 0 HG13 VAL A 25 1.341 17.486 -35.358 1.00 34.50 H new ATOM 0 HG21 VAL A 25 1.782 15.059 -33.428 1.00 44.43 H new ATOM 0 HG22 VAL A 25 0.698 15.047 -34.839 1.00 44.43 H new ATOM 0 HG23 VAL A 25 1.973 13.815 -34.686 1.00 44.43 H new ATOM 360 N GLU A 26 4.472 13.969 -37.019 1.00 74.23 N ATOM 361 CA GLU A 26 5.085 12.702 -37.390 1.00 41.30 C ATOM 362 C GLU A 26 4.961 11.655 -36.297 1.00 40.33 C ATOM 363 O GLU A 26 4.977 10.450 -36.560 1.00 75.52 O ATOM 364 CB GLU A 26 6.590 12.873 -37.729 1.00 74.04 C ATOM 365 CG GLU A 26 7.210 14.286 -37.540 1.00 33.44 C ATOM 366 CD GLU A 26 7.500 14.631 -36.083 1.00 73.34 C ATOM 367 OE1 GLU A 26 6.536 15.003 -35.375 1.00 24.02 O ATOM 368 OE2 GLU A 26 8.662 14.508 -35.640 1.00 33.53 O ATOM 0 H GLU A 26 5.129 14.677 -36.692 1.00 74.23 H new ATOM 0 HA GLU A 26 4.541 12.363 -38.271 1.00 41.30 H new ATOM 0 HB2 GLU A 26 7.155 12.172 -37.115 1.00 74.04 H new ATOM 0 HB3 GLU A 26 6.737 12.577 -38.768 1.00 74.04 H new ATOM 0 HG2 GLU A 26 8.136 14.347 -38.111 1.00 33.44 H new ATOM 0 HG3 GLU A 26 6.530 15.031 -37.954 1.00 33.44 H new ATOM 375 N ARG A 27 4.851 12.120 -35.062 1.00 42.31 N ATOM 376 CA ARG A 27 4.791 11.245 -33.892 1.00 52.51 C ATOM 377 C ARG A 27 3.958 11.820 -32.759 1.00 71.11 C ATOM 378 O ARG A 27 3.816 13.047 -32.650 1.00 3.30 O ATOM 379 CB ARG A 27 6.208 10.944 -33.404 1.00 54.24 C ATOM 380 CG ARG A 27 6.983 12.186 -32.934 1.00 54.01 C ATOM 381 CD ARG A 27 8.457 11.852 -32.725 1.00 14.22 C ATOM 382 NE ARG A 27 9.172 13.043 -32.231 1.00 10.02 N ATOM 383 CZ ARG A 27 10.477 13.106 -31.999 1.00 45.31 C ATOM 384 NH1 ARG A 27 11.268 12.064 -32.163 1.00 55.15 N ATOM 385 NH2 ARG A 27 10.989 14.223 -31.582 1.00 43.04 N ATOM 0 H ARG A 27 4.801 13.114 -34.838 1.00 42.31 H new ATOM 0 HA ARG A 27 4.296 10.325 -34.204 1.00 52.51 H new ATOM 0 HB2 ARG A 27 6.155 10.229 -32.583 1.00 54.24 H new ATOM 0 HB3 ARG A 27 6.764 10.464 -34.209 1.00 54.24 H new ATOM 0 HG2 ARG A 27 6.886 12.982 -33.672 1.00 54.01 H new ATOM 0 HG3 ARG A 27 6.554 12.559 -32.004 1.00 54.01 H new ATOM 0 HD2 ARG A 27 8.557 11.034 -32.011 1.00 14.22 H new ATOM 0 HD3 ARG A 27 8.899 11.513 -33.662 1.00 14.22 H new ATOM 0 HE ARG A 27 8.621 13.883 -32.054 1.00 10.02 H new ATOM 0 HH11 ARG A 27 10.881 11.174 -32.477 1.00 55.15 H new ATOM 0 HH12 ARG A 27 12.267 12.148 -31.975 1.00 55.15 H new ATOM 0 HH21 ARG A 27 10.390 15.036 -31.437 1.00 43.04 H new ATOM 0 HH22 ARG A 27 11.990 14.288 -31.399 1.00 43.04 H new ATOM 399 N VAL A 28 3.436 10.938 -31.919 1.00 0.45 N ATOM 400 CA VAL A 28 2.624 11.327 -30.771 1.00 4.15 C ATOM 401 C VAL A 28 2.999 10.463 -29.544 1.00 71.50 C ATOM 402 O VAL A 28 3.016 9.209 -29.648 1.00 70.21 O ATOM 403 CB VAL A 28 1.096 11.064 -31.061 1.00 71.15 C ATOM 404 CG1 VAL A 28 0.219 11.486 -29.872 1.00 53.33 C ATOM 405 CG2 VAL A 28 0.635 11.812 -32.312 1.00 4.30 C ATOM 0 H VAL A 28 3.563 9.930 -32.013 1.00 0.45 H new ATOM 0 HA VAL A 28 2.805 12.385 -30.582 1.00 4.15 H new ATOM 0 HB VAL A 28 0.985 9.992 -31.222 1.00 71.15 H new ATOM 0 HG11 VAL A 28 -0.828 11.291 -30.105 1.00 53.33 H new ATOM 0 HG12 VAL A 28 0.506 10.917 -28.988 1.00 53.33 H new ATOM 0 HG13 VAL A 28 0.356 12.550 -29.678 1.00 53.33 H new ATOM 0 HG21 VAL A 28 -0.422 11.612 -32.487 1.00 4.30 H new ATOM 0 HG22 VAL A 28 0.783 12.883 -32.171 1.00 4.30 H new ATOM 0 HG23 VAL A 28 1.215 11.476 -33.171 1.00 4.30 H new ATOM 415 N GLY A 29 3.254 11.099 -28.402 1.00 63.41 N ATOM 416 CA GLY A 29 3.462 10.357 -27.165 1.00 74.31 C ATOM 417 C GLY A 29 2.131 10.097 -26.434 1.00 40.03 C ATOM 418 O GLY A 29 1.123 10.730 -26.708 1.00 2.24 O ATOM 0 H GLY A 29 3.321 12.113 -28.310 1.00 63.41 H new ATOM 0 HA2 GLY A 29 3.949 9.407 -27.386 1.00 74.31 H new ATOM 0 HA3 GLY A 29 4.134 10.915 -26.513 1.00 74.31 H new ATOM 422 N VAL A 30 2.125 9.185 -25.473 1.00 72.50 N ATOM 423 CA VAL A 30 0.890 8.938 -24.690 1.00 3.44 C ATOM 424 C VAL A 30 0.583 10.115 -23.776 1.00 42.41 C ATOM 425 O VAL A 30 -0.529 10.229 -23.271 1.00 70.35 O ATOM 426 CB VAL A 30 0.958 7.649 -23.822 1.00 62.12 C ATOM 427 CG1 VAL A 30 0.506 6.418 -24.635 1.00 35.53 C ATOM 428 CG2 VAL A 30 2.381 7.439 -23.258 1.00 4.34 C ATOM 0 H VAL A 30 2.927 8.612 -25.210 1.00 72.50 H new ATOM 0 HA VAL A 30 0.099 8.807 -25.429 1.00 3.44 H new ATOM 0 HB VAL A 30 0.275 7.772 -22.981 1.00 62.12 H new ATOM 0 HG11 VAL A 30 0.562 5.528 -24.008 1.00 35.53 H new ATOM 0 HG12 VAL A 30 -0.521 6.561 -24.972 1.00 35.53 H new ATOM 0 HG13 VAL A 30 1.158 6.294 -25.500 1.00 35.53 H new ATOM 0 HG21 VAL A 30 2.403 6.532 -22.655 1.00 4.34 H new ATOM 0 HG22 VAL A 30 3.089 7.344 -24.082 1.00 4.34 H new ATOM 0 HG23 VAL A 30 2.657 8.293 -22.639 1.00 4.34 H new ATOM 438 N ASP A 31 1.573 10.944 -23.530 1.00 21.50 N ATOM 439 CA ASP A 31 1.455 12.057 -22.587 1.00 13.42 C ATOM 440 C ASP A 31 1.561 13.389 -23.361 1.00 2.43 C ATOM 441 O ASP A 31 1.827 14.423 -22.800 1.00 14.52 O ATOM 442 CB ASP A 31 2.542 11.967 -21.527 1.00 14.30 C ATOM 443 CG ASP A 31 2.015 12.245 -20.119 1.00 32.22 C ATOM 444 OD1 ASP A 31 1.154 13.136 -19.938 1.00 40.54 O ATOM 445 OD2 ASP A 31 2.410 11.491 -19.192 1.00 21.24 O ATOM 0 H ASP A 31 2.488 10.873 -23.974 1.00 21.50 H new ATOM 0 HA ASP A 31 0.489 12.009 -22.085 1.00 13.42 H new ATOM 0 HB2 ASP A 31 2.989 10.973 -21.554 1.00 14.30 H new ATOM 0 HB3 ASP A 31 3.333 12.679 -21.762 1.00 14.30 H new ATOM 450 N ASP A 32 1.376 13.312 -24.684 1.00 64.04 N ATOM 451 CA ASP A 32 1.546 14.505 -25.524 1.00 4.13 C ATOM 452 C ASP A 32 0.275 15.335 -25.564 1.00 21.33 C ATOM 453 O ASP A 32 -0.816 14.809 -25.846 1.00 4.22 O ATOM 454 CB ASP A 32 1.899 14.102 -26.948 1.00 14.33 C ATOM 455 CG ASP A 32 3.264 14.580 -27.349 1.00 23.45 C ATOM 456 OD1 ASP A 32 3.576 15.770 -27.137 1.00 65.54 O ATOM 457 OD2 ASP A 32 4.047 13.748 -27.852 1.00 34.42 O ATOM 0 H ASP A 32 1.116 12.463 -25.186 1.00 64.04 H new ATOM 0 HA ASP A 32 2.351 15.097 -25.088 1.00 4.13 H new ATOM 0 HB2 ASP A 32 1.855 13.017 -27.039 1.00 14.33 H new ATOM 0 HB3 ASP A 32 1.157 14.510 -27.634 1.00 14.33 H new ATOM 462 N ALA A 33 0.357 16.616 -25.249 1.00 41.44 N ATOM 463 CA ALA A 33 -0.834 17.444 -25.212 1.00 41.14 C ATOM 464 C ALA A 33 -1.211 17.837 -26.630 1.00 52.32 C ATOM 465 O ALA A 33 -0.399 18.287 -27.416 1.00 33.21 O ATOM 466 CB ALA A 33 -0.582 18.682 -24.351 1.00 65.33 C ATOM 0 H ALA A 33 1.225 17.100 -25.018 1.00 41.44 H new ATOM 0 HA ALA A 33 -1.659 16.887 -24.769 1.00 41.14 H new ATOM 0 HB1 ALA A 33 -1.481 19.298 -24.328 1.00 65.33 H new ATOM 0 HB2 ALA A 33 -0.327 18.374 -23.337 1.00 65.33 H new ATOM 0 HB3 ALA A 33 0.242 19.257 -24.773 1.00 65.33 H new ATOM 472 N PHE A 34 -2.490 17.726 -26.936 1.00 12.41 N ATOM 473 CA PHE A 34 -3.008 18.039 -28.281 1.00 42.44 C ATOM 474 C PHE A 34 -2.658 19.465 -28.705 1.00 74.12 C ATOM 475 O PHE A 34 -2.325 19.699 -29.852 1.00 75.24 O ATOM 476 CB PHE A 34 -4.528 17.835 -28.281 1.00 51.31 C ATOM 477 CG PHE A 34 -5.175 18.018 -29.617 1.00 51.13 C ATOM 478 CD1 PHE A 34 -5.224 16.969 -30.548 1.00 22.45 C ATOM 479 CD2 PHE A 34 -5.778 19.250 -29.929 1.00 74.32 C ATOM 480 CE1 PHE A 34 -5.868 17.140 -31.799 1.00 22.51 C ATOM 481 CE2 PHE A 34 -6.429 19.443 -31.173 1.00 63.52 C ATOM 482 CZ PHE A 34 -6.458 18.379 -32.110 1.00 74.45 C ATOM 0 H PHE A 34 -3.204 17.420 -26.275 1.00 12.41 H new ATOM 0 HA PHE A 34 -2.540 17.370 -29.003 1.00 42.44 H new ATOM 0 HB2 PHE A 34 -4.748 16.831 -27.919 1.00 51.31 H new ATOM 0 HB3 PHE A 34 -4.976 18.534 -27.575 1.00 51.31 H new ATOM 0 HD1 PHE A 34 -4.766 16.021 -30.309 1.00 22.45 H new ATOM 0 HD2 PHE A 34 -5.745 20.058 -29.213 1.00 74.32 H new ATOM 0 HE1 PHE A 34 -5.906 16.326 -32.508 1.00 22.51 H new ATOM 0 HE2 PHE A 34 -6.897 20.388 -31.404 1.00 63.52 H new ATOM 0 HZ PHE A 34 -6.936 18.520 -33.068 1.00 74.45 H new ATOM 492 N HIS A 35 -2.712 20.404 -27.775 1.00 0.24 N ATOM 493 CA HIS A 35 -2.396 21.797 -28.100 1.00 63.24 C ATOM 494 C HIS A 35 -0.889 22.091 -28.165 1.00 61.21 C ATOM 495 O HIS A 35 -0.485 23.106 -28.718 1.00 31.41 O ATOM 496 CB HIS A 35 -3.084 22.756 -27.112 1.00 74.31 C ATOM 497 CG HIS A 35 -2.594 22.639 -25.701 1.00 73.02 C ATOM 498 ND1 HIS A 35 -3.321 22.086 -24.685 1.00 33.55 N ATOM 499 CD2 HIS A 35 -1.412 23.031 -25.136 1.00 24.45 C ATOM 500 CE1 HIS A 35 -2.578 22.149 -23.574 1.00 13.45 C ATOM 501 NE2 HIS A 35 -1.402 22.708 -23.796 1.00 1.23 N ATOM 0 H HIS A 35 -2.967 20.238 -26.801 1.00 0.24 H new ATOM 0 HA HIS A 35 -2.785 21.964 -29.105 1.00 63.24 H new ATOM 0 HB2 HIS A 35 -2.934 23.780 -27.453 1.00 74.31 H new ATOM 0 HB3 HIS A 35 -4.158 22.568 -27.129 1.00 74.31 H new ATOM 0 HD2 HIS A 35 -0.606 23.521 -25.662 1.00 24.45 H new ATOM 0 HE1 HIS A 35 -2.902 21.786 -22.610 1.00 13.45 H new ATOM 0 HE2 HIS A 35 -0.651 22.866 -23.124 1.00 1.23 H new ATOM 509 N ASP A 36 -0.075 21.229 -27.568 1.00 71.54 N ATOM 510 CA ASP A 36 1.379 21.438 -27.538 1.00 4.12 C ATOM 511 C ASP A 36 1.915 21.083 -28.932 1.00 63.51 C ATOM 512 O ASP A 36 2.766 21.764 -29.480 1.00 30.23 O ATOM 513 CB ASP A 36 1.984 20.506 -26.489 1.00 71.43 C ATOM 514 CG ASP A 36 3.440 20.826 -26.174 1.00 21.03 C ATOM 515 OD1 ASP A 36 3.861 21.995 -26.308 1.00 20.13 O ATOM 516 OD2 ASP A 36 4.122 19.922 -25.646 1.00 11.22 O ATOM 0 H ASP A 36 -0.389 20.380 -27.098 1.00 71.54 H new ATOM 0 HA ASP A 36 1.635 22.467 -27.285 1.00 4.12 H new ATOM 0 HB2 ASP A 36 1.397 20.571 -25.573 1.00 71.43 H new ATOM 0 HB3 ASP A 36 1.912 19.477 -26.841 1.00 71.43 H new ATOM 521 N LEU A 37 1.280 20.088 -29.528 1.00 20.44 N ATOM 522 CA LEU A 37 1.556 19.664 -30.891 1.00 0.23 C ATOM 523 C LEU A 37 0.893 20.555 -31.956 1.00 53.24 C ATOM 524 O LEU A 37 0.741 20.134 -33.103 1.00 53.33 O ATOM 525 CB LEU A 37 1.101 18.198 -31.046 1.00 52.50 C ATOM 526 CG LEU A 37 1.729 17.162 -30.121 1.00 63.55 C ATOM 527 CD1 LEU A 37 0.931 15.827 -30.287 1.00 72.44 C ATOM 528 CD2 LEU A 37 3.225 16.955 -30.442 1.00 14.44 C ATOM 0 H LEU A 37 0.547 19.544 -29.072 1.00 20.44 H new ATOM 0 HA LEU A 37 2.629 19.757 -31.061 1.00 0.23 H new ATOM 0 HB2 LEU A 37 0.021 18.165 -30.903 1.00 52.50 H new ATOM 0 HB3 LEU A 37 1.296 17.893 -32.074 1.00 52.50 H new ATOM 0 HG LEU A 37 1.677 17.507 -29.088 1.00 63.55 H new ATOM 0 HD11 LEU A 37 1.358 15.064 -29.636 1.00 72.44 H new ATOM 0 HD12 LEU A 37 -0.112 15.991 -30.018 1.00 72.44 H new ATOM 0 HD13 LEU A 37 0.990 15.494 -31.323 1.00 72.44 H new ATOM 0 HD21 LEU A 37 3.643 16.210 -29.765 1.00 14.44 H new ATOM 0 HD22 LEU A 37 3.332 16.611 -31.471 1.00 14.44 H new ATOM 0 HD23 LEU A 37 3.758 17.898 -30.318 1.00 14.44 H new ATOM 540 N GLY A 38 0.531 21.785 -31.586 1.00 41.41 N ATOM 541 CA GLY A 38 -0.004 22.739 -32.534 1.00 15.43 C ATOM 542 C GLY A 38 -1.519 22.704 -32.679 1.00 21.21 C ATOM 543 O GLY A 38 -2.095 23.378 -33.534 1.00 65.25 O ATOM 0 H GLY A 38 0.603 22.136 -30.631 1.00 41.41 H new ATOM 0 HA2 GLY A 38 0.296 23.742 -32.230 1.00 15.43 H new ATOM 0 HA3 GLY A 38 0.446 22.554 -33.509 1.00 15.43 H new ATOM 547 N GLY A 39 -2.181 21.922 -31.836 1.00 60.14 N ATOM 548 CA GLY A 39 -3.630 21.848 -31.897 1.00 33.33 C ATOM 549 C GLY A 39 -4.351 23.069 -31.337 1.00 20.52 C ATOM 550 O GLY A 39 -3.767 23.927 -30.708 1.00 2.52 O ATOM 0 H GLY A 39 -1.747 21.343 -31.117 1.00 60.14 H new ATOM 0 HA2 GLY A 39 -3.930 21.709 -32.936 1.00 33.33 H new ATOM 0 HA3 GLY A 39 -3.959 20.965 -31.349 1.00 33.33 H new ATOM 554 N SER A 40 -5.650 23.125 -31.573 1.00 73.41 N ATOM 555 CA SER A 40 -6.488 24.218 -31.103 1.00 55.42 C ATOM 556 C SER A 40 -7.852 23.687 -30.733 1.00 65.11 C ATOM 557 O SER A 40 -8.211 22.565 -31.097 1.00 74.31 O ATOM 558 CB SER A 40 -6.650 25.233 -32.223 1.00 3.15 C ATOM 559 OG SER A 40 -7.292 24.646 -33.332 1.00 32.34 O ATOM 0 H SER A 40 -6.157 22.412 -32.098 1.00 73.41 H new ATOM 0 HA SER A 40 -6.024 24.683 -30.233 1.00 55.42 H new ATOM 0 HB2 SER A 40 -7.230 26.085 -31.869 1.00 3.15 H new ATOM 0 HB3 SER A 40 -5.673 25.614 -32.521 1.00 3.15 H new ATOM 0 HG SER A 40 -7.390 25.313 -34.044 1.00 32.34 H new ATOM 565 N SER A 41 -8.639 24.482 -30.034 1.00 13.41 N ATOM 566 CA SER A 41 -10.005 24.093 -29.660 1.00 31.04 C ATOM 567 C SER A 41 -10.904 23.805 -30.879 1.00 73.11 C ATOM 568 O SER A 41 -11.794 22.961 -30.806 1.00 44.24 O ATOM 569 CB SER A 41 -10.650 25.187 -28.798 1.00 44.44 C ATOM 570 OG SER A 41 -9.739 25.603 -27.800 1.00 64.12 O ATOM 0 H SER A 41 -8.363 25.408 -29.707 1.00 13.41 H new ATOM 0 HA SER A 41 -9.919 23.166 -29.093 1.00 31.04 H new ATOM 0 HB2 SER A 41 -10.934 26.035 -29.421 1.00 44.44 H new ATOM 0 HB3 SER A 41 -11.563 24.810 -28.337 1.00 44.44 H new ATOM 0 HG SER A 41 -10.152 26.303 -27.252 1.00 64.12 H new ATOM 576 N ALA A 42 -10.650 24.511 -31.969 1.00 4.24 N ATOM 577 CA ALA A 42 -11.362 24.293 -33.222 1.00 45.35 C ATOM 578 C ALA A 42 -10.922 22.965 -33.870 1.00 21.21 C ATOM 579 O ALA A 42 -11.760 22.193 -34.348 1.00 4.24 O ATOM 580 CB ALA A 42 -11.093 25.467 -34.163 1.00 13.23 C ATOM 0 H ALA A 42 -9.947 25.249 -32.012 1.00 4.24 H new ATOM 0 HA ALA A 42 -12.432 24.230 -33.023 1.00 45.35 H new ATOM 0 HB1 ALA A 42 -11.623 25.309 -35.102 1.00 13.23 H new ATOM 0 HB2 ALA A 42 -11.441 26.391 -33.701 1.00 13.23 H new ATOM 0 HB3 ALA A 42 -10.023 25.539 -34.358 1.00 13.23 H new ATOM 586 N LEU A 43 -9.623 22.695 -33.851 1.00 74.15 N ATOM 587 CA LEU A 43 -9.086 21.454 -34.453 1.00 31.25 C ATOM 588 C LEU A 43 -9.575 20.245 -33.674 1.00 53.34 C ATOM 589 O LEU A 43 -9.802 19.183 -34.220 1.00 23.21 O ATOM 590 CB LEU A 43 -7.569 21.484 -34.470 1.00 2.24 C ATOM 591 CG LEU A 43 -6.884 20.454 -35.363 1.00 14.34 C ATOM 592 CD1 LEU A 43 -7.176 20.702 -36.849 1.00 75.53 C ATOM 593 CD2 LEU A 43 -5.379 20.477 -35.114 1.00 42.34 C ATOM 0 H LEU A 43 -8.918 23.303 -33.433 1.00 74.15 H new ATOM 0 HA LEU A 43 -9.442 21.383 -35.481 1.00 31.25 H new ATOM 0 HB2 LEU A 43 -7.250 22.477 -34.786 1.00 2.24 H new ATOM 0 HB3 LEU A 43 -7.212 21.344 -33.450 1.00 2.24 H new ATOM 0 HG LEU A 43 -7.284 19.472 -35.110 1.00 14.34 H new ATOM 0 HD11 LEU A 43 -6.670 19.947 -37.450 1.00 75.53 H new ATOM 0 HD12 LEU A 43 -8.250 20.644 -37.023 1.00 75.53 H new ATOM 0 HD13 LEU A 43 -6.815 21.691 -37.130 1.00 75.53 H new ATOM 0 HD21 LEU A 43 -4.893 19.740 -35.753 1.00 42.34 H new ATOM 0 HD22 LEU A 43 -4.988 21.469 -35.341 1.00 42.34 H new ATOM 0 HD23 LEU A 43 -5.179 20.239 -34.069 1.00 42.34 H new ATOM 605 N ALA A 44 -9.765 20.425 -32.369 1.00 11.12 N ATOM 606 CA ALA A 44 -10.214 19.337 -31.492 1.00 72.03 C ATOM 607 C ALA A 44 -11.567 18.778 -31.951 1.00 31.25 C ATOM 608 O ALA A 44 -11.857 17.635 -31.782 1.00 3.33 O ATOM 609 CB ALA A 44 -10.303 19.845 -30.025 1.00 71.11 C ATOM 0 H ALA A 44 -9.616 21.314 -31.891 1.00 11.12 H new ATOM 0 HA ALA A 44 -9.486 18.528 -31.546 1.00 72.03 H new ATOM 0 HB1 ALA A 44 -10.637 19.033 -29.379 1.00 71.11 H new ATOM 0 HB2 ALA A 44 -9.321 20.189 -29.699 1.00 71.11 H new ATOM 0 HB3 ALA A 44 -11.013 20.670 -29.968 1.00 71.11 H new ATOM 615 N MET A 45 -12.373 19.612 -32.574 1.00 34.15 N ATOM 616 CA MET A 45 -13.663 19.200 -33.094 1.00 75.13 C ATOM 617 C MET A 45 -13.508 18.166 -34.221 1.00 33.22 C ATOM 618 O MET A 45 -14.368 17.339 -34.432 1.00 44.02 O ATOM 619 CB MET A 45 -14.459 20.402 -33.622 1.00 2.11 C ATOM 620 CG MET A 45 -14.716 21.454 -32.577 1.00 61.14 C ATOM 621 SD MET A 45 -15.557 22.884 -33.289 1.00 63.45 S ATOM 622 CE MET A 45 -15.790 23.877 -31.801 1.00 24.11 C ATOM 0 H MET A 45 -12.154 20.595 -32.735 1.00 34.15 H new ATOM 0 HA MET A 45 -14.207 18.745 -32.266 1.00 75.13 H new ATOM 0 HB2 MET A 45 -13.916 20.851 -34.453 1.00 2.11 H new ATOM 0 HB3 MET A 45 -15.413 20.052 -34.017 1.00 2.11 H new ATOM 0 HG2 MET A 45 -15.322 21.034 -31.775 1.00 61.14 H new ATOM 0 HG3 MET A 45 -13.772 21.768 -32.132 1.00 61.14 H new ATOM 0 HE1 MET A 45 -16.300 24.805 -32.059 1.00 24.11 H new ATOM 0 HE2 MET A 45 -16.392 23.320 -31.083 1.00 24.11 H new ATOM 0 HE3 MET A 45 -14.819 24.106 -31.361 1.00 24.11 H new ATOM 632 N ARG A 46 -12.381 18.219 -34.943 1.00 33.23 N ATOM 633 CA ARG A 46 -12.096 17.296 -36.051 1.00 10.20 C ATOM 634 C ARG A 46 -11.691 15.947 -35.464 1.00 12.44 C ATOM 635 O ARG A 46 -12.112 14.886 -35.970 1.00 62.43 O ATOM 636 CB ARG A 46 -10.950 17.822 -36.918 1.00 63.33 C ATOM 637 CG ARG A 46 -11.148 19.197 -37.487 1.00 40.21 C ATOM 638 CD ARG A 46 -12.473 19.300 -38.321 1.00 10.05 C ATOM 639 NE ARG A 46 -12.452 20.433 -39.233 1.00 64.34 N ATOM 640 CZ ARG A 46 -13.478 20.832 -39.978 1.00 54.12 C ATOM 641 NH1 ARG A 46 -14.624 20.170 -40.027 1.00 64.25 N ATOM 642 NH2 ARG A 46 -13.385 21.909 -40.682 1.00 63.32 N ATOM 0 H ARG A 46 -11.642 18.902 -34.776 1.00 33.23 H new ATOM 0 HA ARG A 46 -12.987 17.201 -36.672 1.00 10.20 H new ATOM 0 HB2 ARG A 46 -10.037 17.822 -36.322 1.00 63.33 H new ATOM 0 HB3 ARG A 46 -10.792 17.126 -37.742 1.00 63.33 H new ATOM 0 HG2 ARG A 46 -11.172 19.925 -36.676 1.00 40.21 H new ATOM 0 HG3 ARG A 46 -10.299 19.453 -38.121 1.00 40.21 H new ATOM 0 HD2 ARG A 46 -12.618 18.380 -38.888 1.00 10.05 H new ATOM 0 HD3 ARG A 46 -13.322 19.394 -37.644 1.00 10.05 H new ATOM 0 HE ARG A 46 -11.583 20.962 -39.306 1.00 64.34 H new ATOM 0 HH11 ARG A 46 -14.745 19.318 -39.479 1.00 64.25 H new ATOM 0 HH12 ARG A 46 -15.386 20.512 -40.613 1.00 64.25 H new ATOM 0 HH21 ARG A 46 -12.524 22.455 -40.667 1.00 63.32 H new ATOM 0 HH22 ARG A 46 -14.173 22.214 -41.253 1.00 63.32 H new ATOM 656 N LEU A 47 -10.938 16.000 -34.360 1.00 60.03 N ATOM 657 CA LEU A 47 -10.499 14.811 -33.641 1.00 12.31 C ATOM 658 C LEU A 47 -11.725 14.049 -33.136 1.00 11.34 C ATOM 659 O LEU A 47 -11.799 12.833 -33.269 1.00 65.31 O ATOM 660 CB LEU A 47 -9.614 15.229 -32.439 1.00 11.40 C ATOM 661 CG LEU A 47 -8.979 14.069 -31.678 1.00 50.44 C ATOM 662 CD1 LEU A 47 -7.904 13.354 -32.512 1.00 22.03 C ATOM 663 CD2 LEU A 47 -8.377 14.597 -30.344 1.00 11.02 C ATOM 0 H LEU A 47 -10.618 16.874 -33.943 1.00 60.03 H new ATOM 0 HA LEU A 47 -9.920 14.172 -34.307 1.00 12.31 H new ATOM 0 HB2 LEU A 47 -8.822 15.885 -32.800 1.00 11.40 H new ATOM 0 HB3 LEU A 47 -10.220 15.812 -31.745 1.00 11.40 H new ATOM 0 HG LEU A 47 -9.755 13.334 -31.465 1.00 50.44 H new ATOM 0 HD11 LEU A 47 -7.478 12.535 -31.932 1.00 22.03 H new ATOM 0 HD12 LEU A 47 -8.354 12.958 -33.423 1.00 22.03 H new ATOM 0 HD13 LEU A 47 -7.117 14.061 -32.774 1.00 22.03 H new ATOM 0 HD21 LEU A 47 -7.922 13.771 -29.798 1.00 11.02 H new ATOM 0 HD22 LEU A 47 -7.619 15.350 -30.560 1.00 11.02 H new ATOM 0 HD23 LEU A 47 -9.167 15.041 -29.739 1.00 11.02 H new ATOM 675 N ILE A 48 -12.664 14.778 -32.530 1.00 62.41 N ATOM 676 CA ILE A 48 -13.874 14.154 -31.994 1.00 51.42 C ATOM 677 C ILE A 48 -14.640 13.462 -33.113 1.00 73.24 C ATOM 678 O ILE A 48 -15.176 12.372 -32.935 1.00 24.15 O ATOM 679 CB ILE A 48 -14.765 15.222 -31.308 1.00 71.03 C ATOM 680 CG1 ILE A 48 -14.043 15.747 -30.066 1.00 72.34 C ATOM 681 CG2 ILE A 48 -16.159 14.644 -30.927 1.00 73.45 C ATOM 682 CD1 ILE A 48 -14.566 17.034 -29.541 1.00 10.04 C ATOM 0 H ILE A 48 -12.612 15.788 -32.399 1.00 62.41 H new ATOM 0 HA ILE A 48 -13.591 13.409 -31.251 1.00 51.42 H new ATOM 0 HB ILE A 48 -14.937 16.039 -32.009 1.00 71.03 H new ATOM 0 HG12 ILE A 48 -14.109 14.996 -29.279 1.00 72.34 H new ATOM 0 HG13 ILE A 48 -12.986 15.869 -30.302 1.00 72.34 H new ATOM 0 HG21 ILE A 48 -16.756 15.420 -30.449 1.00 73.45 H new ATOM 0 HG22 ILE A 48 -16.668 14.298 -31.827 1.00 73.45 H new ATOM 0 HG23 ILE A 48 -16.031 13.809 -30.238 1.00 73.45 H new ATOM 0 HD11 ILE A 48 -13.994 17.328 -28.661 1.00 10.04 H new ATOM 0 HD12 ILE A 48 -14.474 17.804 -30.307 1.00 10.04 H new ATOM 0 HD13 ILE A 48 -15.615 16.917 -29.269 1.00 10.04 H new ATOM 694 N ALA A 49 -14.670 14.066 -34.301 1.00 32.42 N ATOM 695 CA ALA A 49 -15.363 13.438 -35.411 1.00 72.34 C ATOM 696 C ALA A 49 -14.766 12.062 -35.737 1.00 72.43 C ATOM 697 O ALA A 49 -15.488 11.087 -35.892 1.00 54.01 O ATOM 698 CB ALA A 49 -15.314 14.325 -36.649 1.00 73.30 C ATOM 0 H ALA A 49 -14.234 14.964 -34.511 1.00 32.42 H new ATOM 0 HA ALA A 49 -16.402 13.301 -35.110 1.00 72.34 H new ATOM 0 HB1 ALA A 49 -15.839 13.835 -37.469 1.00 73.30 H new ATOM 0 HB2 ALA A 49 -15.792 15.280 -36.431 1.00 73.30 H new ATOM 0 HB3 ALA A 49 -14.276 14.495 -36.934 1.00 73.30 H new ATOM 704 N ARG A 50 -13.455 11.959 -35.743 1.00 24.13 N ATOM 705 CA ARG A 50 -12.789 10.681 -35.995 1.00 21.44 C ATOM 706 C ARG A 50 -12.963 9.664 -34.899 1.00 2.22 C ATOM 707 O ARG A 50 -13.068 8.484 -35.170 1.00 1.15 O ATOM 708 CB ARG A 50 -11.306 10.960 -36.199 1.00 34.44 C ATOM 709 CG ARG A 50 -11.009 11.565 -37.565 1.00 20.15 C ATOM 710 CD ARG A 50 -10.352 10.533 -38.431 1.00 31.55 C ATOM 711 NE ARG A 50 -11.183 9.336 -38.657 1.00 25.12 N ATOM 712 CZ ARG A 50 -10.740 8.071 -38.618 1.00 12.55 C ATOM 713 NH1 ARG A 50 -9.504 7.739 -38.395 1.00 44.45 N ATOM 714 NH2 ARG A 50 -11.598 7.126 -38.805 1.00 41.44 N ATOM 0 H ARG A 50 -12.821 12.740 -35.577 1.00 24.13 H new ATOM 0 HA ARG A 50 -13.253 10.242 -36.878 1.00 21.44 H new ATOM 0 HB2 ARG A 50 -10.957 11.639 -35.421 1.00 34.44 H new ATOM 0 HB3 ARG A 50 -10.746 10.032 -36.087 1.00 34.44 H new ATOM 0 HG2 ARG A 50 -11.931 11.913 -38.030 1.00 20.15 H new ATOM 0 HG3 ARG A 50 -10.359 12.433 -37.457 1.00 20.15 H new ATOM 0 HD2 ARG A 50 -10.106 10.982 -39.394 1.00 31.55 H new ATOM 0 HD3 ARG A 50 -9.411 10.230 -37.971 1.00 31.55 H new ATOM 0 HE ARG A 50 -12.172 9.482 -38.859 1.00 25.12 H new ATOM 0 HH11 ARG A 50 -8.802 8.462 -38.236 1.00 44.45 H new ATOM 0 HH12 ARG A 50 -9.235 6.755 -38.379 1.00 44.45 H new ATOM 0 HH21 ARG A 50 -12.578 7.353 -38.976 1.00 41.44 H new ATOM 0 HH22 ARG A 50 -11.297 6.152 -38.782 1.00 41.44 H new ATOM 728 N ILE A 51 -13.065 10.129 -33.676 1.00 13.14 N ATOM 729 CA ILE A 51 -13.275 9.244 -32.535 1.00 22.22 C ATOM 730 C ILE A 51 -14.602 8.481 -32.728 1.00 45.23 C ATOM 731 O ILE A 51 -14.715 7.305 -32.370 1.00 60.22 O ATOM 732 CB ILE A 51 -13.317 10.003 -31.163 1.00 45.11 C ATOM 733 CG1 ILE A 51 -11.923 10.608 -30.821 1.00 23.52 C ATOM 734 CG2 ILE A 51 -13.721 9.020 -30.034 1.00 4.20 C ATOM 735 CD1 ILE A 51 -11.956 11.633 -29.633 1.00 71.45 C ATOM 0 H ILE A 51 -13.007 11.119 -33.436 1.00 13.14 H new ATOM 0 HA ILE A 51 -12.425 8.562 -32.498 1.00 22.22 H new ATOM 0 HB ILE A 51 -14.047 10.808 -31.244 1.00 45.11 H new ATOM 0 HG12 ILE A 51 -11.236 9.799 -30.572 1.00 23.52 H new ATOM 0 HG13 ILE A 51 -11.524 11.104 -31.706 1.00 23.52 H new ATOM 0 HG21 ILE A 51 -13.749 9.551 -29.082 1.00 4.20 H new ATOM 0 HG22 ILE A 51 -14.706 8.606 -30.248 1.00 4.20 H new ATOM 0 HG23 ILE A 51 -12.992 8.212 -29.977 1.00 4.20 H new ATOM 0 HD11 ILE A 51 -10.950 12.012 -29.452 1.00 71.45 H new ATOM 0 HD12 ILE A 51 -12.617 12.462 -29.886 1.00 71.45 H new ATOM 0 HD13 ILE A 51 -12.324 11.137 -28.735 1.00 71.45 H new ATOM 747 N ARG A 52 -15.593 9.112 -33.347 1.00 34.21 N ATOM 748 CA ARG A 52 -16.889 8.455 -33.546 1.00 64.44 C ATOM 749 C ARG A 52 -16.790 7.248 -34.462 1.00 51.31 C ATOM 750 O ARG A 52 -17.545 6.321 -34.320 1.00 74.01 O ATOM 751 CB ARG A 52 -17.915 9.407 -34.160 1.00 40.13 C ATOM 752 CG ARG A 52 -18.279 10.590 -33.285 1.00 43.11 C ATOM 753 CD ARG A 52 -18.854 11.696 -34.129 1.00 60.50 C ATOM 754 NE ARG A 52 -19.092 12.896 -33.333 1.00 61.22 N ATOM 755 CZ ARG A 52 -19.462 14.082 -33.806 1.00 72.15 C ATOM 756 NH1 ARG A 52 -19.664 14.300 -35.086 1.00 33.20 N ATOM 757 NH2 ARG A 52 -19.634 15.064 -32.965 1.00 51.34 N ATOM 0 H ARG A 52 -15.532 10.061 -33.716 1.00 34.21 H new ATOM 0 HA ARG A 52 -17.206 8.139 -32.552 1.00 64.44 H new ATOM 0 HB2 ARG A 52 -17.525 9.779 -35.108 1.00 40.13 H new ATOM 0 HB3 ARG A 52 -18.822 8.846 -34.386 1.00 40.13 H new ATOM 0 HG2 ARG A 52 -19.002 10.285 -32.529 1.00 43.11 H new ATOM 0 HG3 ARG A 52 -17.396 10.947 -32.756 1.00 43.11 H new ATOM 0 HD2 ARG A 52 -18.170 11.927 -34.946 1.00 60.50 H new ATOM 0 HD3 ARG A 52 -19.789 11.364 -34.581 1.00 60.50 H new ATOM 0 HE ARG A 52 -18.963 12.818 -32.324 1.00 61.22 H new ATOM 0 HH11 ARG A 52 -19.537 13.544 -35.758 1.00 33.20 H new ATOM 0 HH12 ARG A 52 -19.947 15.226 -35.407 1.00 33.20 H new ATOM 0 HH21 ARG A 52 -19.485 14.913 -31.967 1.00 51.34 H new ATOM 0 HH22 ARG A 52 -19.918 15.983 -33.305 1.00 51.34 H new ATOM 771 N GLU A 53 -15.905 7.297 -35.425 1.00 32.12 N ATOM 772 CA GLU A 53 -15.799 6.215 -36.433 1.00 63.42 C ATOM 773 C GLU A 53 -15.006 5.073 -35.814 1.00 33.32 C ATOM 774 O GLU A 53 -15.300 3.894 -36.022 1.00 72.41 O ATOM 775 CB GLU A 53 -15.035 6.728 -37.643 1.00 54.51 C ATOM 776 CG GLU A 53 -15.557 8.104 -38.176 1.00 41.12 C ATOM 777 CD GLU A 53 -17.019 8.034 -38.566 1.00 52.43 C ATOM 778 OE1 GLU A 53 -17.417 7.104 -39.303 1.00 61.25 O ATOM 779 OE2 GLU A 53 -17.775 8.944 -38.166 1.00 63.22 O ATOM 0 H GLU A 53 -15.240 8.060 -35.552 1.00 32.12 H new ATOM 0 HA GLU A 53 -16.792 5.884 -36.736 1.00 63.42 H new ATOM 0 HB2 GLU A 53 -13.981 6.825 -37.383 1.00 54.51 H new ATOM 0 HB3 GLU A 53 -15.099 5.990 -38.443 1.00 54.51 H new ATOM 0 HG2 GLU A 53 -15.421 8.867 -37.409 1.00 41.12 H new ATOM 0 HG3 GLU A 53 -14.964 8.409 -39.038 1.00 41.12 H new ATOM 786 N GLU A 54 -14.021 5.442 -35.003 1.00 21.45 N ATOM 787 CA GLU A 54 -13.103 4.442 -34.454 1.00 52.43 C ATOM 788 C GLU A 54 -13.664 3.783 -33.188 1.00 23.42 C ATOM 789 O GLU A 54 -13.538 2.594 -33.046 1.00 11.20 O ATOM 790 CB GLU A 54 -11.778 5.068 -34.079 1.00 4.13 C ATOM 791 CG GLU A 54 -10.984 5.655 -35.245 1.00 33.20 C ATOM 792 CD GLU A 54 -10.543 4.600 -36.240 1.00 23.51 C ATOM 793 OE1 GLU A 54 -10.171 3.501 -35.802 1.00 2.31 O ATOM 794 OE2 GLU A 54 -10.512 4.878 -37.472 1.00 51.43 O ATOM 0 H GLU A 54 -13.837 6.403 -34.714 1.00 21.45 H new ATOM 0 HA GLU A 54 -12.972 3.695 -35.237 1.00 52.43 H new ATOM 0 HB2 GLU A 54 -11.961 5.858 -33.350 1.00 4.13 H new ATOM 0 HB3 GLU A 54 -11.165 4.314 -33.585 1.00 4.13 H new ATOM 0 HG2 GLU A 54 -11.594 6.399 -35.757 1.00 33.20 H new ATOM 0 HG3 GLU A 54 -10.107 6.173 -34.858 1.00 33.20 H new ATOM 801 N LEU A 55 -14.177 4.572 -32.224 1.00 64.14 N ATOM 802 CA LEU A 55 -14.568 4.031 -30.906 1.00 14.52 C ATOM 803 C LEU A 55 -16.094 3.969 -30.771 1.00 51.25 C ATOM 804 O LEU A 55 -16.611 3.508 -29.768 1.00 75.34 O ATOM 805 CB LEU A 55 -14.008 4.878 -29.756 1.00 25.11 C ATOM 806 CG LEU A 55 -12.487 5.136 -29.714 1.00 20.43 C ATOM 807 CD1 LEU A 55 -12.139 5.990 -28.454 1.00 25.00 C ATOM 808 CD2 LEU A 55 -11.670 3.851 -29.639 1.00 13.24 C ATOM 0 H LEU A 55 -14.329 5.575 -32.330 1.00 64.14 H new ATOM 0 HA LEU A 55 -14.150 3.026 -30.844 1.00 14.52 H new ATOM 0 HB2 LEU A 55 -14.509 5.846 -29.780 1.00 25.11 H new ATOM 0 HB3 LEU A 55 -14.290 4.396 -28.820 1.00 25.11 H new ATOM 0 HG LEU A 55 -12.234 5.653 -30.640 1.00 20.43 H new ATOM 0 HD11 LEU A 55 -11.065 6.173 -28.424 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -12.668 6.942 -28.502 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -12.441 5.452 -27.555 1.00 25.00 H new ATOM 0 HD21 LEU A 55 -10.608 4.096 -29.612 1.00 13.24 H new ATOM 0 HD22 LEU A 55 -11.939 3.301 -28.737 1.00 13.24 H new ATOM 0 HD23 LEU A 55 -11.878 3.236 -30.514 1.00 13.24 H new ATOM 820 N GLY A 56 -16.772 4.433 -31.806 1.00 74.30 N ATOM 821 CA GLY A 56 -18.233 4.382 -31.878 1.00 21.02 C ATOM 822 C GLY A 56 -18.907 5.278 -30.879 1.00 61.40 C ATOM 823 O GLY A 56 -20.042 5.020 -30.484 1.00 61.44 O ATOM 0 H GLY A 56 -16.332 4.857 -32.623 1.00 74.30 H new ATOM 0 HA2 GLY A 56 -18.551 4.664 -32.882 1.00 21.02 H new ATOM 0 HA3 GLY A 56 -18.563 3.356 -31.716 1.00 21.02 H new ATOM 827 N VAL A 57 -18.229 6.324 -30.424 1.00 73.24 N ATOM 828 CA VAL A 57 -18.789 7.219 -29.404 1.00 0.02 C ATOM 829 C VAL A 57 -18.483 8.679 -29.696 1.00 61.31 C ATOM 830 O VAL A 57 -17.427 9.000 -30.234 1.00 42.21 O ATOM 831 CB VAL A 57 -18.257 6.873 -27.958 1.00 42.43 C ATOM 832 CG1 VAL A 57 -18.770 5.508 -27.515 1.00 75.52 C ATOM 833 CG2 VAL A 57 -16.724 6.888 -27.912 1.00 64.52 C ATOM 0 H VAL A 57 -17.293 6.578 -30.740 1.00 73.24 H new ATOM 0 HA VAL A 57 -19.867 7.065 -29.438 1.00 0.02 H new ATOM 0 HB VAL A 57 -18.631 7.637 -27.276 1.00 42.43 H new ATOM 0 HG11 VAL A 57 -18.394 5.285 -26.516 1.00 75.52 H new ATOM 0 HG12 VAL A 57 -19.860 5.517 -27.499 1.00 75.52 H new ATOM 0 HG13 VAL A 57 -18.423 4.745 -28.212 1.00 75.52 H new ATOM 0 HG21 VAL A 57 -16.388 6.646 -26.904 1.00 64.52 H new ATOM 0 HG22 VAL A 57 -16.332 6.150 -28.612 1.00 64.52 H new ATOM 0 HG23 VAL A 57 -16.361 7.878 -28.188 1.00 64.52 H new ATOM 843 N ASP A 58 -19.413 9.554 -29.337 1.00 1.21 N ATOM 844 CA ASP A 58 -19.213 10.992 -29.498 1.00 12.05 C ATOM 845 C ASP A 58 -18.492 11.537 -28.264 1.00 12.33 C ATOM 846 O ASP A 58 -19.117 11.890 -27.240 1.00 24.23 O ATOM 847 CB ASP A 58 -20.538 11.711 -29.736 1.00 34.33 C ATOM 848 CG ASP A 58 -20.347 13.143 -30.195 1.00 20.55 C ATOM 849 OD1 ASP A 58 -19.182 13.515 -30.530 1.00 52.40 O ATOM 850 OD2 ASP A 58 -21.338 13.883 -30.350 1.00 31.42 O ATOM 0 H ASP A 58 -20.313 9.296 -28.933 1.00 1.21 H new ATOM 0 HA ASP A 58 -18.596 11.174 -30.378 1.00 12.05 H new ATOM 0 HB2 ASP A 58 -21.114 11.167 -30.485 1.00 34.33 H new ATOM 0 HB3 ASP A 58 -21.123 11.703 -28.816 1.00 34.33 H new ATOM 855 N LEU A 59 -17.178 11.510 -28.334 1.00 12.13 N ATOM 856 CA LEU A 59 -16.359 11.876 -27.183 1.00 63.01 C ATOM 857 C LEU A 59 -16.555 13.366 -26.826 1.00 11.44 C ATOM 858 O LEU A 59 -16.362 14.252 -27.660 1.00 23.32 O ATOM 859 CB LEU A 59 -14.897 11.604 -27.472 1.00 34.25 C ATOM 860 CG LEU A 59 -13.998 11.827 -26.260 1.00 44.11 C ATOM 861 CD1 LEU A 59 -13.113 10.616 -25.985 1.00 60.12 C ATOM 862 CD2 LEU A 59 -13.180 13.068 -26.421 1.00 52.02 C ATOM 0 H LEU A 59 -16.651 11.242 -29.165 1.00 12.13 H new ATOM 0 HA LEU A 59 -16.673 11.270 -26.334 1.00 63.01 H new ATOM 0 HB2 LEU A 59 -14.786 10.576 -27.816 1.00 34.25 H new ATOM 0 HB3 LEU A 59 -14.567 12.250 -28.286 1.00 34.25 H new ATOM 0 HG LEU A 59 -14.645 11.959 -25.393 1.00 44.11 H new ATOM 0 HD11 LEU A 59 -12.487 10.813 -25.115 1.00 60.12 H new ATOM 0 HD12 LEU A 59 -13.739 9.744 -25.792 1.00 60.12 H new ATOM 0 HD13 LEU A 59 -12.480 10.424 -26.851 1.00 60.12 H new ATOM 0 HD21 LEU A 59 -12.548 13.204 -25.543 1.00 52.02 H new ATOM 0 HD22 LEU A 59 -12.554 12.978 -27.309 1.00 52.02 H new ATOM 0 HD23 LEU A 59 -13.841 13.928 -26.529 1.00 52.02 H new ATOM 874 N PRO A 60 -16.942 13.668 -25.580 1.00 54.24 N ATOM 875 CA PRO A 60 -17.189 15.063 -25.183 1.00 73.40 C ATOM 876 C PRO A 60 -15.962 15.951 -25.264 1.00 55.30 C ATOM 877 O PRO A 60 -14.935 15.652 -24.681 1.00 41.12 O ATOM 878 CB PRO A 60 -17.643 14.943 -23.715 1.00 3.13 C ATOM 879 CG PRO A 60 -18.114 13.548 -23.565 1.00 14.52 C ATOM 880 CD PRO A 60 -17.208 12.765 -24.465 1.00 43.13 C ATOM 0 HA PRO A 60 -17.913 15.530 -25.851 1.00 73.40 H new ATOM 0 HB2 PRO A 60 -16.822 15.157 -23.031 1.00 3.13 H new ATOM 0 HB3 PRO A 60 -18.439 15.653 -23.490 1.00 3.13 H new ATOM 0 HG2 PRO A 60 -18.040 13.210 -22.531 1.00 14.52 H new ATOM 0 HG3 PRO A 60 -19.158 13.445 -23.860 1.00 14.52 H new ATOM 0 HD2 PRO A 60 -16.288 12.481 -23.954 1.00 43.13 H new ATOM 0 HD3 PRO A 60 -17.682 11.844 -24.803 1.00 43.13 H new ATOM 888 N ILE A 61 -16.104 17.127 -25.861 1.00 15.15 N ATOM 889 CA ILE A 61 -15.005 18.098 -25.903 1.00 71.45 C ATOM 890 C ILE A 61 -14.647 18.546 -24.474 1.00 43.45 C ATOM 891 O ILE A 61 -13.526 18.957 -24.188 1.00 11.52 O ATOM 892 CB ILE A 61 -15.366 19.302 -26.818 1.00 10.21 C ATOM 893 CG1 ILE A 61 -14.067 20.010 -27.280 1.00 62.13 C ATOM 894 CG2 ILE A 61 -16.341 20.307 -26.139 1.00 0.14 C ATOM 895 CD1 ILE A 61 -14.289 20.945 -28.501 1.00 3.53 C ATOM 0 H ILE A 61 -16.960 17.435 -26.321 1.00 15.15 H new ATOM 0 HA ILE A 61 -14.124 17.623 -26.336 1.00 71.45 H new ATOM 0 HB ILE A 61 -15.896 18.910 -27.686 1.00 10.21 H new ATOM 0 HG12 ILE A 61 -13.662 20.592 -26.452 1.00 62.13 H new ATOM 0 HG13 ILE A 61 -13.321 19.258 -27.536 1.00 62.13 H new ATOM 0 HG21 ILE A 61 -16.556 21.126 -26.826 1.00 0.14 H new ATOM 0 HG22 ILE A 61 -17.269 19.796 -25.881 1.00 0.14 H new ATOM 0 HG23 ILE A 61 -15.882 20.704 -25.234 1.00 0.14 H new ATOM 0 HD11 ILE A 61 -13.344 21.412 -28.778 1.00 3.53 H new ATOM 0 HD12 ILE A 61 -14.666 20.362 -29.342 1.00 3.53 H new ATOM 0 HD13 ILE A 61 -15.013 21.717 -28.241 1.00 3.53 H new ATOM 907 N ARG A 62 -15.581 18.384 -23.560 1.00 74.34 N ATOM 908 CA ARG A 62 -15.334 18.650 -22.133 1.00 33.53 C ATOM 909 C ARG A 62 -14.278 17.721 -21.560 1.00 2.20 C ATOM 910 O ARG A 62 -13.485 18.168 -20.718 1.00 33.44 O ATOM 911 CB ARG A 62 -16.649 18.537 -21.351 1.00 23.10 C ATOM 912 CG ARG A 62 -16.556 18.945 -19.872 1.00 0.21 C ATOM 913 CD ARG A 62 -16.227 20.452 -19.689 1.00 44.44 C ATOM 914 NE ARG A 62 -14.830 20.675 -19.328 1.00 23.03 N ATOM 915 CZ ARG A 62 -14.232 21.865 -19.280 1.00 12.04 C ATOM 916 NH1 ARG A 62 -14.856 22.975 -19.626 1.00 13.24 N ATOM 917 NH2 ARG A 62 -12.978 21.932 -18.900 1.00 23.10 N ATOM 0 H ARG A 62 -16.528 18.068 -23.768 1.00 74.34 H new ATOM 0 HA ARG A 62 -14.948 19.665 -22.037 1.00 33.53 H new ATOM 0 HB2 ARG A 62 -17.400 19.159 -21.838 1.00 23.10 H new ATOM 0 HB3 ARG A 62 -17.002 17.507 -21.408 1.00 23.10 H new ATOM 0 HG2 ARG A 62 -17.500 18.720 -19.377 1.00 0.21 H new ATOM 0 HG3 ARG A 62 -15.788 18.347 -19.381 1.00 0.21 H new ATOM 0 HD2 ARG A 62 -16.451 20.985 -20.613 1.00 44.44 H new ATOM 0 HD3 ARG A 62 -16.871 20.871 -18.916 1.00 44.44 H new ATOM 0 HE ARG A 62 -14.268 19.856 -19.094 1.00 23.03 H new ATOM 0 HH11 ARG A 62 -15.825 22.938 -19.942 1.00 13.24 H new ATOM 0 HH12 ARG A 62 -14.369 23.870 -19.578 1.00 13.24 H new ATOM 0 HH21 ARG A 62 -12.476 21.081 -18.647 1.00 23.10 H new ATOM 0 HH22 ARG A 62 -12.505 22.835 -18.858 1.00 23.10 H new ATOM 931 N GLN A 63 -14.205 16.480 -22.037 1.00 12.12 N ATOM 932 CA GLN A 63 -13.185 15.543 -21.566 1.00 4.04 C ATOM 933 C GLN A 63 -11.831 15.892 -22.118 1.00 63.23 C ATOM 934 O GLN A 63 -10.837 15.824 -21.409 1.00 35.13 O ATOM 935 CB GLN A 63 -13.596 14.103 -21.938 1.00 44.31 C ATOM 936 CG GLN A 63 -13.969 13.246 -20.723 1.00 23.32 C ATOM 937 CD GLN A 63 -15.045 13.903 -19.908 1.00 55.13 C ATOM 938 OE1 GLN A 63 -14.774 14.493 -18.891 1.00 51.22 O ATOM 939 NE2 GLN A 63 -16.260 13.822 -20.361 1.00 3.23 N ATOM 0 H GLN A 63 -14.835 16.101 -22.744 1.00 12.12 H new ATOM 0 HA GLN A 63 -13.112 15.614 -20.481 1.00 4.04 H new ATOM 0 HB2 GLN A 63 -14.444 14.140 -22.622 1.00 44.31 H new ATOM 0 HB3 GLN A 63 -12.775 13.625 -22.473 1.00 44.31 H new ATOM 0 HG2 GLN A 63 -14.309 12.265 -21.056 1.00 23.32 H new ATOM 0 HG3 GLN A 63 -13.087 13.084 -20.104 1.00 23.32 H new ATOM 0 HE21 GLN A 63 -16.449 13.314 -21.225 1.00 3.23 H new ATOM 0 HE22 GLN A 63 -17.025 14.266 -19.853 1.00 3.23 H new ATOM 948 N LEU A 64 -11.796 16.305 -23.377 1.00 23.20 N ATOM 949 CA LEU A 64 -10.537 16.750 -23.986 1.00 11.54 C ATOM 950 C LEU A 64 -9.958 17.961 -23.277 1.00 43.31 C ATOM 951 O LEU A 64 -8.762 18.043 -23.044 1.00 44.12 O ATOM 952 CB LEU A 64 -10.745 17.047 -25.474 1.00 52.12 C ATOM 953 CG LEU A 64 -10.548 15.839 -26.395 1.00 72.23 C ATOM 954 CD1 LEU A 64 -11.158 16.102 -27.751 1.00 12.04 C ATOM 955 CD2 LEU A 64 -9.082 15.514 -26.532 1.00 54.41 C ATOM 0 H LEU A 64 -12.607 16.344 -23.994 1.00 23.20 H new ATOM 0 HA LEU A 64 -9.816 15.939 -23.881 1.00 11.54 H new ATOM 0 HB2 LEU A 64 -11.753 17.436 -25.617 1.00 52.12 H new ATOM 0 HB3 LEU A 64 -10.054 17.834 -25.775 1.00 52.12 H new ATOM 0 HG LEU A 64 -11.053 14.981 -25.950 1.00 72.23 H new ATOM 0 HD11 LEU A 64 -11.008 15.233 -28.392 1.00 12.04 H new ATOM 0 HD12 LEU A 64 -12.226 16.291 -27.639 1.00 12.04 H new ATOM 0 HD13 LEU A 64 -10.681 16.972 -28.202 1.00 12.04 H new ATOM 0 HD21 LEU A 64 -8.960 14.653 -27.190 1.00 54.41 H new ATOM 0 HD22 LEU A 64 -8.557 16.371 -26.955 1.00 54.41 H new ATOM 0 HD23 LEU A 64 -8.667 15.283 -25.551 1.00 54.41 H new ATOM 967 N PHE A 65 -10.815 18.889 -22.895 1.00 34.02 N ATOM 968 CA PHE A 65 -10.326 20.066 -22.184 1.00 73.44 C ATOM 969 C PHE A 65 -9.977 19.714 -20.730 1.00 75.04 C ATOM 970 O PHE A 65 -9.270 20.443 -20.065 1.00 44.02 O ATOM 971 CB PHE A 65 -11.359 21.172 -22.169 1.00 1.54 C ATOM 972 CG PHE A 65 -11.685 21.750 -23.542 1.00 74.04 C ATOM 973 CD1 PHE A 65 -10.734 21.807 -24.594 1.00 44.12 C ATOM 974 CD2 PHE A 65 -12.972 22.271 -23.777 1.00 25.01 C ATOM 975 CE1 PHE A 65 -11.060 22.370 -25.849 1.00 33.02 C ATOM 976 CE2 PHE A 65 -13.316 22.849 -25.041 1.00 62.34 C ATOM 977 CZ PHE A 65 -12.346 22.894 -26.069 1.00 73.13 C ATOM 0 H PHE A 65 -11.822 18.860 -23.056 1.00 34.02 H new ATOM 0 HA PHE A 65 -9.436 20.409 -22.712 1.00 73.44 H new ATOM 0 HB2 PHE A 65 -12.277 20.789 -21.723 1.00 1.54 H new ATOM 0 HB3 PHE A 65 -11.003 21.976 -21.525 1.00 1.54 H new ATOM 0 HD1 PHE A 65 -9.742 21.412 -24.433 1.00 44.12 H new ATOM 0 HD2 PHE A 65 -13.712 22.234 -22.991 1.00 25.01 H new ATOM 0 HE1 PHE A 65 -10.322 22.398 -26.637 1.00 33.02 H new ATOM 0 HE2 PHE A 65 -14.306 23.247 -25.208 1.00 62.34 H new ATOM 0 HZ PHE A 65 -12.593 23.332 -27.025 1.00 73.13 H new ATOM 987 N SER A 66 -10.536 18.620 -20.235 1.00 5.32 N ATOM 988 CA SER A 66 -10.280 18.191 -18.870 1.00 44.42 C ATOM 989 C SER A 66 -8.874 17.617 -18.818 1.00 21.21 C ATOM 990 O SER A 66 -8.183 17.776 -17.822 1.00 11.24 O ATOM 991 CB SER A 66 -11.311 17.147 -18.445 1.00 42.43 C ATOM 992 OG SER A 66 -11.188 16.854 -17.075 1.00 61.23 O ATOM 0 H SER A 66 -11.169 18.014 -20.758 1.00 5.32 H new ATOM 0 HA SER A 66 -10.362 19.032 -18.182 1.00 44.42 H new ATOM 0 HB2 SER A 66 -12.315 17.515 -18.654 1.00 42.43 H new ATOM 0 HB3 SER A 66 -11.176 16.237 -19.030 1.00 42.43 H new ATOM 0 HG SER A 66 -11.858 16.185 -16.822 1.00 61.23 H new ATOM 998 N SER A 67 -8.468 16.969 -19.892 1.00 32.30 N ATOM 999 CA SER A 67 -7.135 16.398 -20.001 1.00 61.14 C ATOM 1000 C SER A 67 -6.791 16.267 -21.492 1.00 71.33 C ATOM 1001 O SER A 67 -7.384 15.458 -22.196 1.00 61.32 O ATOM 1002 CB SER A 67 -7.089 15.031 -19.334 1.00 15.43 C ATOM 1003 OG SER A 67 -5.753 14.603 -19.234 1.00 24.14 O ATOM 0 H SER A 67 -9.051 16.822 -20.716 1.00 32.30 H new ATOM 0 HA SER A 67 -6.412 17.043 -19.502 1.00 61.14 H new ATOM 0 HB2 SER A 67 -7.541 15.082 -18.343 1.00 15.43 H new ATOM 0 HB3 SER A 67 -7.670 14.313 -19.912 1.00 15.43 H new ATOM 0 HG SER A 67 -5.682 13.910 -18.545 1.00 24.14 H new ATOM 1009 N PRO A 68 -5.849 17.074 -21.983 1.00 72.43 N ATOM 1010 CA PRO A 68 -5.586 17.066 -23.432 1.00 3.11 C ATOM 1011 C PRO A 68 -4.661 15.992 -23.969 1.00 50.10 C ATOM 1012 O PRO A 68 -4.386 15.992 -25.154 1.00 54.35 O ATOM 1013 CB PRO A 68 -4.946 18.434 -23.637 1.00 22.22 C ATOM 1014 CG PRO A 68 -4.140 18.623 -22.400 1.00 15.41 C ATOM 1015 CD PRO A 68 -5.039 18.104 -21.307 1.00 13.32 C ATOM 0 HA PRO A 68 -6.510 16.855 -23.970 1.00 3.11 H new ATOM 0 HB2 PRO A 68 -4.323 18.457 -24.531 1.00 22.22 H new ATOM 0 HB3 PRO A 68 -5.696 19.216 -23.752 1.00 22.22 H new ATOM 0 HG2 PRO A 68 -3.202 18.069 -22.444 1.00 15.41 H new ATOM 0 HG3 PRO A 68 -3.884 19.671 -22.245 1.00 15.41 H new ATOM 0 HD2 PRO A 68 -4.465 17.684 -20.481 1.00 13.32 H new ATOM 0 HD3 PRO A 68 -5.663 18.895 -20.891 1.00 13.32 H new ATOM 1023 N THR A 69 -4.158 15.116 -23.125 1.00 45.14 N ATOM 1024 CA THR A 69 -3.226 14.093 -23.595 1.00 61.11 C ATOM 1025 C THR A 69 -3.997 12.825 -23.972 1.00 53.04 C ATOM 1026 O THR A 69 -5.107 12.602 -23.476 1.00 20.52 O ATOM 1027 CB THR A 69 -2.166 13.750 -22.522 1.00 31.15 C ATOM 1028 OG1 THR A 69 -2.825 13.286 -21.354 1.00 70.01 O ATOM 1029 CG2 THR A 69 -1.349 14.962 -22.145 1.00 35.44 C ATOM 0 H THR A 69 -4.368 15.084 -22.127 1.00 45.14 H new ATOM 0 HA THR A 69 -2.708 14.490 -24.468 1.00 61.11 H new ATOM 0 HB THR A 69 -1.503 12.990 -22.935 1.00 31.15 H new ATOM 0 HG1 THR A 69 -2.160 13.065 -20.669 1.00 70.01 H new ATOM 0 HG21 THR A 69 -0.614 14.685 -21.389 1.00 35.44 H new ATOM 0 HG22 THR A 69 -0.835 15.344 -23.028 1.00 35.44 H new ATOM 0 HG23 THR A 69 -2.007 15.734 -21.746 1.00 35.44 H new ATOM 1037 N PRO A 70 -3.441 11.976 -24.862 1.00 3.12 N ATOM 1038 CA PRO A 70 -4.277 10.847 -25.274 1.00 12.12 C ATOM 1039 C PRO A 70 -4.510 9.837 -24.145 1.00 2.15 C ATOM 1040 O PRO A 70 -5.605 9.243 -24.071 1.00 51.21 O ATOM 1041 CB PRO A 70 -3.491 10.258 -26.447 1.00 52.12 C ATOM 1042 CG PRO A 70 -2.125 10.573 -26.189 1.00 14.31 C ATOM 1043 CD PRO A 70 -2.171 11.976 -25.594 1.00 52.43 C ATOM 0 HA PRO A 70 -5.290 11.143 -25.547 1.00 12.12 H new ATOM 0 HB2 PRO A 70 -3.639 9.180 -26.516 1.00 52.12 H new ATOM 0 HB3 PRO A 70 -3.820 10.686 -27.394 1.00 52.12 H new ATOM 0 HG2 PRO A 70 -1.676 9.861 -25.496 1.00 14.31 H new ATOM 0 HG3 PRO A 70 -1.531 10.547 -27.102 1.00 14.31 H new ATOM 0 HD2 PRO A 70 -1.324 12.164 -24.934 1.00 52.43 H new ATOM 0 HD3 PRO A 70 -2.149 12.744 -26.367 1.00 52.43 H new ATOM 1051 N ALA A 71 -3.545 9.664 -23.252 1.00 4.22 N ATOM 1052 CA ALA A 71 -3.732 8.758 -22.136 1.00 62.25 C ATOM 1053 C ALA A 71 -4.600 9.440 -21.080 1.00 63.52 C ATOM 1054 O ALA A 71 -5.349 8.810 -20.352 1.00 62.24 O ATOM 1055 CB ALA A 71 -2.382 8.365 -21.528 1.00 5.13 C ATOM 0 H ALA A 71 -2.639 10.133 -23.280 1.00 4.22 H new ATOM 0 HA ALA A 71 -4.224 7.852 -22.490 1.00 62.25 H new ATOM 0 HB1 ALA A 71 -2.544 7.685 -20.692 1.00 5.13 H new ATOM 0 HB2 ALA A 71 -1.772 7.871 -22.285 1.00 5.13 H new ATOM 0 HB3 ALA A 71 -1.868 9.259 -21.174 1.00 5.13 H new ATOM 1061 N GLY A 72 -4.489 10.764 -20.995 1.00 3.22 N ATOM 1062 CA GLY A 72 -5.223 11.505 -20.002 1.00 43.33 C ATOM 1063 C GLY A 72 -6.702 11.583 -20.268 1.00 51.52 C ATOM 1064 O GLY A 72 -7.510 11.403 -19.332 1.00 63.44 O ATOM 0 H GLY A 72 -3.899 11.332 -21.603 1.00 3.22 H new ATOM 0 HA2 GLY A 72 -5.063 11.044 -19.027 1.00 43.33 H new ATOM 0 HA3 GLY A 72 -4.820 12.516 -19.946 1.00 43.33 H new ATOM 1068 N VAL A 73 -7.081 11.776 -21.522 1.00 55.42 N ATOM 1069 CA VAL A 73 -8.482 11.859 -21.863 1.00 11.13 C ATOM 1070 C VAL A 73 -9.127 10.488 -21.663 1.00 3.55 C ATOM 1071 O VAL A 73 -10.302 10.408 -21.244 1.00 61.35 O ATOM 1072 CB VAL A 73 -8.667 12.415 -23.304 1.00 35.31 C ATOM 1073 CG1 VAL A 73 -8.239 11.408 -24.376 1.00 34.04 C ATOM 1074 CG2 VAL A 73 -10.128 12.870 -23.534 1.00 51.04 C ATOM 0 H VAL A 73 -6.441 11.877 -22.310 1.00 55.42 H new ATOM 0 HA VAL A 73 -8.988 12.563 -21.203 1.00 11.13 H new ATOM 0 HB VAL A 73 -8.011 13.281 -23.398 1.00 35.31 H new ATOM 0 HG11 VAL A 73 -8.387 11.843 -25.364 1.00 34.04 H new ATOM 0 HG12 VAL A 73 -7.186 11.161 -24.243 1.00 34.04 H new ATOM 0 HG13 VAL A 73 -8.839 10.502 -24.285 1.00 34.04 H new ATOM 0 HG21 VAL A 73 -10.234 13.255 -24.548 1.00 51.04 H new ATOM 0 HG22 VAL A 73 -10.799 12.022 -23.396 1.00 51.04 H new ATOM 0 HG23 VAL A 73 -10.382 13.654 -22.820 1.00 51.04 H new ATOM 1084 N ALA A 74 -8.372 9.424 -21.859 1.00 43.14 N ATOM 1085 CA ALA A 74 -8.868 8.081 -21.628 1.00 55.52 C ATOM 1086 C ALA A 74 -9.236 7.889 -20.147 1.00 2.12 C ATOM 1087 O ALA A 74 -10.272 7.328 -19.817 1.00 42.41 O ATOM 1088 CB ALA A 74 -7.796 7.047 -22.075 1.00 41.40 C ATOM 0 H ALA A 74 -7.405 9.465 -22.180 1.00 43.14 H new ATOM 0 HA ALA A 74 -9.772 7.925 -22.217 1.00 55.52 H new ATOM 0 HB1 ALA A 74 -8.169 6.038 -21.901 1.00 41.40 H new ATOM 0 HB2 ALA A 74 -7.584 7.178 -23.136 1.00 41.40 H new ATOM 0 HB3 ALA A 74 -6.882 7.200 -21.501 1.00 41.40 H new ATOM 1094 N ARG A 75 -8.430 8.422 -19.246 1.00 30.22 N ATOM 1095 CA ARG A 75 -8.732 8.328 -17.833 1.00 75.45 C ATOM 1096 C ARG A 75 -9.883 9.230 -17.452 1.00 62.25 C ATOM 1097 O ARG A 75 -10.686 8.883 -16.594 1.00 41.21 O ATOM 1098 CB ARG A 75 -7.526 8.658 -16.954 1.00 4.53 C ATOM 1099 CG ARG A 75 -6.351 7.708 -17.151 1.00 35.03 C ATOM 1100 CD ARG A 75 -5.218 8.003 -16.163 1.00 1.21 C ATOM 1101 NE ARG A 75 -5.584 7.614 -14.781 1.00 3.14 N ATOM 1102 CZ ARG A 75 -5.869 8.440 -13.786 1.00 53.30 C ATOM 1103 NH1 ARG A 75 -5.857 9.760 -13.925 1.00 4.33 N ATOM 1104 NH2 ARG A 75 -6.165 7.948 -12.622 1.00 72.15 N ATOM 0 H ARG A 75 -7.568 8.920 -19.467 1.00 30.22 H new ATOM 0 HA ARG A 75 -9.011 7.289 -17.657 1.00 75.45 H new ATOM 0 HB2 ARG A 75 -7.199 9.676 -17.167 1.00 4.53 H new ATOM 0 HB3 ARG A 75 -7.831 8.633 -15.908 1.00 4.53 H new ATOM 0 HG2 ARG A 75 -6.688 6.679 -17.023 1.00 35.03 H new ATOM 0 HG3 ARG A 75 -5.978 7.796 -18.171 1.00 35.03 H new ATOM 0 HD2 ARG A 75 -4.320 7.465 -16.467 1.00 1.21 H new ATOM 0 HD3 ARG A 75 -4.978 9.066 -16.191 1.00 1.21 H new ATOM 0 HE ARG A 75 -5.620 6.615 -14.577 1.00 3.14 H new ATOM 0 HH11 ARG A 75 -5.621 10.176 -14.826 1.00 4.33 H new ATOM 0 HH12 ARG A 75 -6.083 10.359 -13.131 1.00 4.33 H new ATOM 0 HH21 ARG A 75 -6.176 6.938 -12.483 1.00 72.15 H new ATOM 0 HH22 ARG A 75 -6.387 8.572 -11.846 1.00 72.15 H new ATOM 1118 N ALA A 76 -9.957 10.399 -18.089 1.00 61.35 N ATOM 1119 CA ALA A 76 -11.011 11.356 -17.778 1.00 33.23 C ATOM 1120 C ALA A 76 -12.406 10.825 -18.094 1.00 12.24 C ATOM 1121 O ALA A 76 -13.358 11.050 -17.351 1.00 35.42 O ATOM 1122 CB ALA A 76 -10.752 12.698 -18.511 1.00 22.43 C ATOM 0 H ALA A 76 -9.307 10.701 -18.814 1.00 61.35 H new ATOM 0 HA ALA A 76 -10.982 11.524 -16.701 1.00 33.23 H new ATOM 0 HB1 ALA A 76 -11.547 13.404 -18.270 1.00 22.43 H new ATOM 0 HB2 ALA A 76 -9.794 13.108 -18.192 1.00 22.43 H new ATOM 0 HB3 ALA A 76 -10.733 12.527 -19.587 1.00 22.43 H new ATOM 1128 N LEU A 77 -12.544 10.171 -19.244 1.00 1.41 N ATOM 1129 CA LEU A 77 -13.845 9.651 -19.669 1.00 54.45 C ATOM 1130 C LEU A 77 -14.192 8.420 -18.822 1.00 0.25 C ATOM 1131 O LEU A 77 -15.363 8.241 -18.469 1.00 41.13 O ATOM 1132 CB LEU A 77 -13.848 9.338 -21.172 1.00 12.12 C ATOM 1133 CG LEU A 77 -12.933 8.237 -21.733 1.00 11.51 C ATOM 1134 CD1 LEU A 77 -13.607 6.878 -21.767 1.00 31.01 C ATOM 1135 CD2 LEU A 77 -12.480 8.582 -23.124 1.00 74.52 C ATOM 0 H LEU A 77 -11.780 9.988 -19.895 1.00 1.41 H new ATOM 0 HA LEU A 77 -14.613 10.408 -19.510 1.00 54.45 H new ATOM 0 HB2 LEU A 77 -14.871 9.080 -21.447 1.00 12.12 H new ATOM 0 HB3 LEU A 77 -13.601 10.262 -21.695 1.00 12.12 H new ATOM 0 HG LEU A 77 -12.079 8.179 -21.058 1.00 11.51 H new ATOM 0 HD11 LEU A 77 -12.916 6.139 -22.172 1.00 31.01 H new ATOM 0 HD12 LEU A 77 -13.896 6.590 -20.756 1.00 31.01 H new ATOM 0 HD13 LEU A 77 -14.495 6.928 -22.397 1.00 31.01 H new ATOM 0 HD21 LEU A 77 -11.834 7.790 -23.503 1.00 74.52 H new ATOM 0 HD22 LEU A 77 -13.349 8.684 -23.775 1.00 74.52 H new ATOM 0 HD23 LEU A 77 -11.929 9.522 -23.104 1.00 74.52 H new ATOM 1147 N ALA A 78 -13.200 7.648 -18.415 1.00 61.15 N ATOM 1148 CA ALA A 78 -13.443 6.503 -17.561 1.00 74.04 C ATOM 1149 C ALA A 78 -13.948 6.951 -16.188 1.00 23.43 C ATOM 1150 O ALA A 78 -14.795 6.299 -15.588 1.00 62.24 O ATOM 1151 CB ALA A 78 -12.170 5.662 -17.423 1.00 44.20 C ATOM 0 H ALA A 78 -12.221 7.794 -18.662 1.00 61.15 H new ATOM 0 HA ALA A 78 -14.215 5.886 -18.021 1.00 74.04 H new ATOM 0 HB1 ALA A 78 -12.368 4.805 -16.779 1.00 44.20 H new ATOM 0 HB2 ALA A 78 -11.857 5.312 -18.407 1.00 44.20 H new ATOM 0 HB3 ALA A 78 -11.378 6.270 -16.985 1.00 44.20 H new ATOM 1157 N ALA A 79 -13.463 8.086 -15.712 1.00 64.21 N ATOM 1158 CA ALA A 79 -13.896 8.620 -14.425 1.00 4.22 C ATOM 1159 C ALA A 79 -15.396 8.982 -14.425 1.00 22.12 C ATOM 1160 O ALA A 79 -16.052 8.986 -13.368 1.00 23.25 O ATOM 1161 CB ALA A 79 -13.041 9.861 -14.061 1.00 64.35 C ATOM 0 H ALA A 79 -12.770 8.657 -16.195 1.00 64.21 H new ATOM 0 HA ALA A 79 -13.752 7.843 -13.674 1.00 4.22 H new ATOM 0 HB1 ALA A 79 -13.367 10.258 -13.099 1.00 64.35 H new ATOM 0 HB2 ALA A 79 -11.991 9.574 -13.999 1.00 64.35 H new ATOM 0 HB3 ALA A 79 -13.163 10.625 -14.829 1.00 64.35 H new ATOM 1167 N LYS A 80 -15.944 9.279 -15.590 1.00 12.24 N ATOM 1168 CA LYS A 80 -17.364 9.659 -15.683 1.00 71.01 C ATOM 1169 C LYS A 80 -18.261 8.470 -15.321 1.00 64.33 C ATOM 1170 O LYS A 80 -19.369 8.659 -14.835 1.00 54.31 O ATOM 1171 CB LYS A 80 -17.694 10.142 -17.112 1.00 40.13 C ATOM 1172 CG LYS A 80 -19.037 10.842 -17.195 1.00 13.22 C ATOM 1173 CD LYS A 80 -19.359 11.287 -18.628 1.00 63.23 C ATOM 1174 CE LYS A 80 -20.748 11.908 -18.665 1.00 62.43 C ATOM 1175 NZ LYS A 80 -20.798 13.135 -17.789 1.00 62.01 N ATOM 0 H LYS A 80 -15.445 9.268 -16.480 1.00 12.24 H new ATOM 0 HA LYS A 80 -17.550 10.470 -14.979 1.00 71.01 H new ATOM 0 HB2 LYS A 80 -16.912 10.822 -17.451 1.00 40.13 H new ATOM 0 HB3 LYS A 80 -17.691 9.289 -17.790 1.00 40.13 H new ATOM 0 HG2 LYS A 80 -19.819 10.172 -16.838 1.00 13.22 H new ATOM 0 HG3 LYS A 80 -19.036 11.710 -16.536 1.00 13.22 H new ATOM 0 HD2 LYS A 80 -18.617 12.008 -18.972 1.00 63.23 H new ATOM 0 HD3 LYS A 80 -19.312 10.434 -19.305 1.00 63.23 H new ATOM 0 HE2 LYS A 80 -21.007 12.174 -19.690 1.00 62.43 H new ATOM 0 HE3 LYS A 80 -21.487 11.182 -18.327 1.00 62.43 H new ATOM 0 HZ1 LYS A 80 -21.632 13.705 -18.037 1.00 62.01 H new ATOM 0 HZ2 LYS A 80 -20.859 12.847 -16.791 1.00 62.01 H new ATOM 0 HZ3 LYS A 80 -19.937 13.700 -17.934 1.00 62.01 H new ATOM 1189 N SER A 81 -17.782 7.261 -15.565 1.00 65.41 N ATOM 1190 CA SER A 81 -18.588 6.065 -15.296 1.00 45.03 C ATOM 1191 C SER A 81 -18.857 5.875 -13.806 1.00 60.44 C ATOM 1192 O SER A 81 -19.910 5.382 -13.433 1.00 23.54 O ATOM 1193 CB SER A 81 -17.863 4.824 -15.837 1.00 3.14 C ATOM 1194 OG SER A 81 -17.523 4.981 -17.202 1.00 71.41 O ATOM 0 H SER A 81 -16.853 7.075 -15.944 1.00 65.41 H new ATOM 0 HA SER A 81 -19.547 6.198 -15.796 1.00 45.03 H new ATOM 0 HB2 SER A 81 -16.960 4.645 -15.253 1.00 3.14 H new ATOM 0 HB3 SER A 81 -18.499 3.947 -15.717 1.00 3.14 H new ATOM 0 HG SER A 81 -17.061 4.177 -17.519 1.00 71.41 H new ATOM 1200 N ALA A 82 -17.937 6.315 -12.965 1.00 22.11 N ATOM 1201 CA ALA A 82 -18.112 6.214 -11.530 1.00 50.14 C ATOM 1202 C ALA A 82 -19.259 7.112 -11.035 1.00 34.45 C ATOM 1203 O ALA A 82 -19.776 6.929 -9.946 1.00 44.34 O ATOM 1204 CB ALA A 82 -16.806 6.606 -10.840 1.00 54.25 C ATOM 0 H ALA A 82 -17.059 6.747 -13.254 1.00 22.11 H new ATOM 0 HA ALA A 82 -18.372 5.184 -11.284 1.00 50.14 H new ATOM 0 HB1 ALA A 82 -16.929 6.533 -9.759 1.00 54.25 H new ATOM 0 HB2 ALA A 82 -16.009 5.935 -11.161 1.00 54.25 H new ATOM 0 HB3 ALA A 82 -16.547 7.631 -11.107 1.00 54.25 H new ATOM 1210 N SER A 83 -19.623 8.094 -11.844 1.00 31.23 N ATOM 1211 CA SER A 83 -20.660 9.053 -11.495 1.00 2.13 C ATOM 1212 C SER A 83 -21.934 8.750 -12.279 1.00 42.54 C ATOM 1213 O SER A 83 -22.798 9.640 -12.416 1.00 60.53 O ATOM 1214 CB SER A 83 -20.183 10.481 -11.814 1.00 50.40 C ATOM 1215 OG SER A 83 -20.769 11.444 -10.955 1.00 30.41 O ATOM 0 H SER A 83 -19.207 8.249 -12.763 1.00 31.23 H new ATOM 0 HA SER A 83 -20.869 8.975 -10.428 1.00 2.13 H new ATOM 0 HB2 SER A 83 -19.098 10.529 -11.724 1.00 50.40 H new ATOM 0 HB3 SER A 83 -20.428 10.722 -12.848 1.00 50.40 H new ATOM 0 HG SER A 83 -20.439 12.336 -11.190 1.00 30.41 H new ATOM 1221 N TRP A 84 -22.036 7.561 -12.847 1.00 73.01 N ATOM 1222 CA TRP A 84 -23.141 7.197 -13.705 1.00 11.14 C ATOM 1223 C TRP A 84 -23.641 5.802 -13.395 1.00 21.14 C ATOM 1224 O TRP A 84 -22.891 4.949 -12.986 1.00 60.41 O ATOM 1225 CB TRP A 84 -22.718 7.252 -15.165 1.00 40.11 C ATOM 1226 CG TRP A 84 -23.333 8.393 -15.894 1.00 21.40 C ATOM 1227 CD1 TRP A 84 -22.963 9.692 -15.822 1.00 41.25 C ATOM 1228 CD2 TRP A 84 -24.478 8.357 -16.762 1.00 53.51 C ATOM 1229 NE1 TRP A 84 -23.793 10.487 -16.567 1.00 2.51 N ATOM 1230 CE2 TRP A 84 -24.737 9.705 -17.169 1.00 12.11 C ATOM 1231 CE3 TRP A 84 -25.333 7.321 -17.230 1.00 55.35 C ATOM 1232 CZ2 TRP A 84 -25.820 10.041 -18.028 1.00 24.54 C ATOM 1233 CZ3 TRP A 84 -26.414 7.675 -18.103 1.00 32.44 C ATOM 1234 CH2 TRP A 84 -26.634 9.027 -18.487 1.00 74.34 C ATOM 0 H TRP A 84 -21.348 6.819 -12.723 1.00 73.01 H new ATOM 0 HA TRP A 84 -23.944 7.911 -13.523 1.00 11.14 H new ATOM 0 HB2 TRP A 84 -21.632 7.331 -15.223 1.00 40.11 H new ATOM 0 HB3 TRP A 84 -22.996 6.319 -15.656 1.00 40.11 H new ATOM 0 HD1 TRP A 84 -22.122 10.055 -15.251 1.00 41.25 H new ATOM 0 HE1 TRP A 84 -23.718 11.500 -16.658 1.00 2.51 H new ATOM 0 HE3 TRP A 84 -25.172 6.294 -16.935 1.00 55.35 H new ATOM 0 HZ2 TRP A 84 -26.001 11.067 -18.314 1.00 24.54 H new ATOM 0 HZ3 TRP A 84 -27.072 6.903 -18.475 1.00 32.44 H new ATOM 0 HH2 TRP A 84 -27.453 9.263 -19.150 1.00 74.34 H new ATOM 1245 N SER A 85 -24.925 5.593 -13.580 1.00 33.11 N ATOM 1246 CA SER A 85 -25.510 4.273 -13.376 1.00 21.45 C ATOM 1247 C SER A 85 -25.161 3.369 -14.526 1.00 64.33 C ATOM 1248 O SER A 85 -25.213 3.792 -15.700 1.00 72.13 O ATOM 1249 CB SER A 85 -27.015 4.415 -13.264 1.00 32.31 C ATOM 1250 OG SER A 85 -27.516 5.153 -14.370 1.00 15.24 O ATOM 0 H SER A 85 -25.588 6.312 -13.870 1.00 33.11 H new ATOM 0 HA SER A 85 -25.114 3.834 -12.460 1.00 21.45 H new ATOM 0 HB2 SER A 85 -27.480 3.430 -13.233 1.00 32.31 H new ATOM 0 HB3 SER A 85 -27.273 4.919 -12.333 1.00 32.31 H new ATOM 0 HG SER A 85 -26.917 5.040 -15.137 1.00 15.24 H new ATOM 1256 N HIS A 86 -24.773 2.151 -14.213 1.00 53.23 N ATOM 1257 CA HIS A 86 -24.467 1.181 -15.232 1.00 61.30 C ATOM 1258 C HIS A 86 -25.786 0.628 -15.772 1.00 42.20 C ATOM 1259 O HIS A 86 -26.788 0.630 -15.061 1.00 71.54 O ATOM 1260 CB HIS A 86 -23.597 0.052 -14.625 1.00 52.01 C ATOM 1261 CG HIS A 86 -22.166 0.438 -14.401 1.00 30.33 C ATOM 1262 ND1 HIS A 86 -21.270 -0.309 -13.686 1.00 42.52 N ATOM 1263 CD2 HIS A 86 -21.481 1.540 -14.801 1.00 23.41 C ATOM 1264 CE1 HIS A 86 -20.108 0.334 -13.683 1.00 63.02 C ATOM 1265 NE2 HIS A 86 -20.176 1.468 -14.354 1.00 54.35 N ATOM 0 H HIS A 86 -24.663 1.812 -13.257 1.00 53.23 H new ATOM 0 HA HIS A 86 -23.906 1.636 -16.048 1.00 61.30 H new ATOM 0 HB2 HIS A 86 -24.032 -0.257 -13.675 1.00 52.01 H new ATOM 0 HB3 HIS A 86 -23.630 -0.813 -15.287 1.00 52.01 H new ATOM 0 HD1 HIS A 86 -21.461 -1.203 -13.234 1.00 42.52 H new ATOM 0 HD2 HIS A 86 -21.895 2.351 -15.382 1.00 23.41 H new ATOM 0 HE1 HIS A 86 -19.217 -0.027 -13.192 1.00 63.02 H new ATOM 1273 N PRO A 87 -25.803 0.190 -17.035 1.00 71.43 N ATOM 1274 CA PRO A 87 -27.075 -0.247 -17.608 1.00 53.30 C ATOM 1275 C PRO A 87 -27.530 -1.637 -17.147 1.00 64.22 C ATOM 1276 O PRO A 87 -28.619 -2.082 -17.491 1.00 71.23 O ATOM 1277 CB PRO A 87 -26.760 -0.262 -19.105 1.00 12.11 C ATOM 1278 CG PRO A 87 -25.351 -0.645 -19.183 1.00 51.45 C ATOM 1279 CD PRO A 87 -24.709 0.119 -18.028 1.00 53.14 C ATOM 0 HA PRO A 87 -27.896 0.403 -17.307 1.00 53.30 H new ATOM 0 HB2 PRO A 87 -27.394 -0.972 -19.636 1.00 12.11 H new ATOM 0 HB3 PRO A 87 -26.930 0.716 -19.556 1.00 12.11 H new ATOM 0 HG2 PRO A 87 -25.221 -1.722 -19.073 1.00 51.45 H new ATOM 0 HG3 PRO A 87 -24.912 -0.367 -20.141 1.00 51.45 H new ATOM 0 HD2 PRO A 87 -23.837 -0.402 -17.633 1.00 53.14 H new ATOM 0 HD3 PRO A 87 -24.376 1.111 -18.334 1.00 53.14 H new ATOM 1287 N GLN A 88 -26.686 -2.334 -16.415 1.00 71.43 N ATOM 1288 CA GLN A 88 -26.974 -3.657 -15.893 1.00 43.52 C ATOM 1289 C GLN A 88 -26.484 -3.615 -14.450 1.00 53.51 C ATOM 1290 O GLN A 88 -25.489 -2.961 -14.164 1.00 61.25 O ATOM 1291 CB GLN A 88 -26.242 -4.718 -16.704 1.00 23.02 C ATOM 1292 CG GLN A 88 -26.834 -6.130 -16.558 1.00 61.34 C ATOM 1293 CD GLN A 88 -28.213 -6.269 -17.184 1.00 12.04 C ATOM 1294 OE1 GLN A 88 -29.195 -6.112 -16.523 1.00 55.35 O ATOM 1295 NE2 GLN A 88 -28.254 -6.544 -18.456 1.00 62.31 N ATOM 0 H GLN A 88 -25.760 -1.990 -16.160 1.00 71.43 H new ATOM 0 HA GLN A 88 -28.032 -3.913 -15.950 1.00 43.52 H new ATOM 0 HB2 GLN A 88 -26.260 -4.434 -17.756 1.00 23.02 H new ATOM 0 HB3 GLN A 88 -25.196 -4.739 -16.397 1.00 23.02 H new ATOM 0 HG2 GLN A 88 -26.158 -6.850 -17.020 1.00 61.34 H new ATOM 0 HG3 GLN A 88 -26.895 -6.384 -15.500 1.00 61.34 H new ATOM 0 HE21 GLN A 88 -27.387 -6.669 -18.979 1.00 62.31 H new ATOM 0 HE22 GLN A 88 -29.153 -6.634 -18.930 1.00 62.31 H new ATOM 1304 N PHE A 89 -27.192 -4.285 -13.559 1.00 31.14 N ATOM 1305 CA PHE A 89 -26.823 -4.313 -12.163 1.00 31.54 C ATOM 1306 C PHE A 89 -25.604 -5.201 -11.992 1.00 33.41 C ATOM 1307 O PHE A 89 -25.372 -6.122 -12.764 1.00 55.43 O ATOM 1308 CB PHE A 89 -27.979 -4.823 -11.320 1.00 4.25 C ATOM 1309 CG PHE A 89 -29.240 -3.987 -11.432 1.00 22.21 C ATOM 1310 CD1 PHE A 89 -29.419 -2.861 -10.617 1.00 33.31 C ATOM 1311 CD2 PHE A 89 -30.264 -4.321 -12.361 1.00 34.11 C ATOM 1312 CE1 PHE A 89 -30.598 -2.068 -10.710 1.00 34.04 C ATOM 1313 CE2 PHE A 89 -31.431 -3.540 -12.458 1.00 23.14 C ATOM 1314 CZ PHE A 89 -31.605 -2.408 -11.629 1.00 50.43 C ATOM 0 H PHE A 89 -28.031 -4.819 -13.784 1.00 31.14 H new ATOM 0 HA PHE A 89 -26.584 -3.304 -11.828 1.00 31.54 H new ATOM 0 HB2 PHE A 89 -28.207 -5.847 -11.616 1.00 4.25 H new ATOM 0 HB3 PHE A 89 -27.668 -4.854 -10.276 1.00 4.25 H new ATOM 0 HD1 PHE A 89 -28.651 -2.591 -9.908 1.00 33.31 H new ATOM 0 HD2 PHE A 89 -30.145 -5.184 -12.999 1.00 34.11 H new ATOM 0 HE1 PHE A 89 -30.718 -1.204 -10.073 1.00 34.04 H new ATOM 0 HE2 PHE A 89 -32.198 -3.807 -13.170 1.00 23.14 H new ATOM 0 HZ PHE A 89 -32.502 -1.811 -11.701 1.00 50.43 H new ATOM 1324 N GLU A 90 -24.805 -4.899 -10.970 1.00 41.33 N ATOM 1325 CA GLU A 90 -23.546 -5.619 -10.720 1.00 12.54 C ATOM 1326 C GLU A 90 -23.803 -7.037 -10.196 1.00 64.10 C ATOM 1327 O GLU A 90 -22.967 -7.925 -10.336 1.00 55.14 O ATOM 1328 CB GLU A 90 -22.714 -4.862 -9.669 1.00 1.42 C ATOM 1329 CG GLU A 90 -22.265 -3.484 -10.109 1.00 42.40 C ATOM 1330 CD GLU A 90 -21.270 -3.506 -11.279 1.00 55.21 C ATOM 1331 OE1 GLU A 90 -20.320 -4.313 -11.213 1.00 40.15 O ATOM 1332 OE2 GLU A 90 -21.427 -2.709 -12.246 1.00 1.02 O ATOM 0 H GLU A 90 -25.003 -4.159 -10.297 1.00 41.33 H new ATOM 0 HA GLU A 90 -23.011 -5.681 -11.668 1.00 12.54 H new ATOM 0 HB2 GLU A 90 -23.302 -4.766 -8.756 1.00 1.42 H new ATOM 0 HB3 GLU A 90 -21.835 -5.456 -9.421 1.00 1.42 H new ATOM 0 HG2 GLU A 90 -23.140 -2.901 -10.398 1.00 42.40 H new ATOM 0 HG3 GLU A 90 -21.806 -2.973 -9.262 1.00 42.40 H new ATOM 1339 N LYS A 91 -24.963 -7.238 -9.590 1.00 4.44 N ATOM 1340 CA LYS A 91 -25.349 -8.512 -8.991 1.00 41.13 C ATOM 1341 C LYS A 91 -26.815 -8.668 -9.312 1.00 21.32 C ATOM 1342 O LYS A 91 -27.228 -9.788 -9.651 1.00 62.32 O ATOM 1343 CB LYS A 91 -25.149 -8.524 -7.471 1.00 64.34 C ATOM 1344 CG LYS A 91 -23.833 -9.131 -6.982 1.00 63.12 C ATOM 1345 CD LYS A 91 -22.675 -8.140 -6.995 1.00 71.43 C ATOM 1346 CE LYS A 91 -21.378 -8.831 -6.645 1.00 33.45 C ATOM 1347 NZ LYS A 91 -21.390 -9.316 -5.225 1.00 64.21 N ATOM 0 H LYS A 91 -25.674 -6.513 -9.498 1.00 4.44 H new ATOM 0 HA LYS A 91 -24.735 -9.323 -9.383 1.00 41.13 H new ATOM 0 HB2 LYS A 91 -25.213 -7.499 -7.106 1.00 64.34 H new ATOM 0 HB3 LYS A 91 -25.973 -9.076 -7.019 1.00 64.34 H new ATOM 0 HG2 LYS A 91 -23.969 -9.509 -5.969 1.00 63.12 H new ATOM 0 HG3 LYS A 91 -23.579 -9.986 -7.609 1.00 63.12 H new ATOM 0 HD2 LYS A 91 -22.594 -7.681 -7.980 1.00 71.43 H new ATOM 0 HD3 LYS A 91 -22.869 -7.337 -6.284 1.00 71.43 H new ATOM 0 HE2 LYS A 91 -21.218 -9.673 -7.319 1.00 33.45 H new ATOM 0 HE3 LYS A 91 -20.545 -8.143 -6.791 1.00 33.45 H new ATOM 0 HZ1 LYS A 91 -20.440 -9.648 -4.964 1.00 64.21 H new ATOM 0 HZ2 LYS A 91 -21.670 -8.538 -4.595 1.00 64.21 H new ATOM 0 HZ3 LYS A 91 -22.068 -10.099 -5.131 1.00 64.21 H new TER 1361 LYS A 91