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 Set 1.1: A 80 LYS NZ :NH3+ 170:sc= 0.796 (180deg=0.734) USER MOD Set 1.2: A 86 HIS : no HD1:sc= 0 X(o=0.8,f=0.69) USER MOD Set 2.1: A 5 LYS NZ :NH3+ 162:sc= 1.4 (180deg=-0.528!) USER MOD Set 2.2: A 9 SER OG : rot -26:sc= 0.627 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.184 (180deg=0) USER MOD Single : A 3 MET CE :methyl -177:sc= 0 (180deg=-0.0212) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 71:sc= 0.509 USER MOD Single : A 19 TYR OH : rot -169:sc= 1.18 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.129 USER MOD Single : A 45 MET CE :methyl -173:sc= 0 (180deg=-0.0382) USER MOD Single : A 63 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.13) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 169:sc= 0.0253 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.207 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0398 K(o=-0.04,f=-2.1!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.862 2.089 4.091 1.00 63.32 N ATOM 2 CA GLY A 1 9.572 3.235 3.481 1.00 72.44 C ATOM 3 C GLY A 1 8.747 4.486 3.566 1.00 13.22 C ATOM 4 O GLY A 1 7.624 4.404 4.027 1.00 63.23 O ATOM 0 H1 GLY A 1 9.366 1.785 4.948 1.00 63.32 H new ATOM 0 H2 GLY A 1 7.894 2.374 4.341 1.00 63.32 H new ATOM 0 H3 GLY A 1 8.827 1.302 3.413 1.00 63.32 H new ATOM 0 HA2 GLY A 1 10.525 3.388 3.988 1.00 72.44 H new ATOM 0 HA3 GLY A 1 9.798 3.014 2.438 1.00 72.44 H new ATOM 8 N ALA A 2 9.275 5.626 3.133 1.00 61.23 N ATOM 9 CA ALA A 2 8.520 6.883 3.167 1.00 33.33 C ATOM 10 C ALA A 2 7.320 6.804 2.214 1.00 62.32 C ATOM 11 O ALA A 2 6.286 7.410 2.443 1.00 64.33 O ATOM 12 CB ALA A 2 9.434 8.054 2.779 1.00 3.14 C ATOM 0 H ALA A 2 10.219 5.710 2.755 1.00 61.23 H new ATOM 0 HA ALA A 2 8.150 7.047 4.179 1.00 33.33 H new ATOM 0 HB1 ALA A 2 8.866 8.984 2.807 1.00 3.14 H new ATOM 0 HB2 ALA A 2 10.265 8.115 3.482 1.00 3.14 H new ATOM 0 HB3 ALA A 2 9.821 7.895 1.773 1.00 3.14 H new ATOM 18 N MET A 3 7.484 6.024 1.156 1.00 52.22 N ATOM 19 CA MET A 3 6.430 5.781 0.179 1.00 74.14 C ATOM 20 C MET A 3 6.436 4.286 -0.098 1.00 0.22 C ATOM 21 O MET A 3 7.352 3.574 0.345 1.00 23.12 O ATOM 22 CB MET A 3 6.704 6.550 -1.120 1.00 3.32 C ATOM 23 CG MET A 3 6.722 8.065 -0.948 1.00 62.34 C ATOM 24 SD MET A 3 6.846 8.924 -2.535 1.00 41.11 S ATOM 25 CE MET A 3 8.557 8.592 -3.022 1.00 53.44 C ATOM 0 H MET A 3 8.357 5.538 0.949 1.00 52.22 H new ATOM 0 HA MET A 3 5.466 6.117 0.561 1.00 74.14 H new ATOM 0 HB2 MET A 3 7.663 6.229 -1.526 1.00 3.32 H new ATOM 0 HB3 MET A 3 5.943 6.286 -1.854 1.00 3.32 H new ATOM 0 HG2 MET A 3 5.815 8.383 -0.433 1.00 62.34 H new ATOM 0 HG3 MET A 3 7.563 8.348 -0.315 1.00 62.34 H new ATOM 0 HE1 MET A 3 8.777 9.110 -3.956 1.00 53.44 H new ATOM 0 HE2 MET A 3 9.232 8.946 -2.243 1.00 53.44 H new ATOM 0 HE3 MET A 3 8.694 7.520 -3.161 1.00 53.44 H new ATOM 35 N ALA A 4 5.449 3.819 -0.851 1.00 12.33 N ATOM 36 CA ALA A 4 5.414 2.436 -1.299 1.00 42.13 C ATOM 37 C ALA A 4 6.549 2.245 -2.312 1.00 21.05 C ATOM 38 O ALA A 4 7.050 3.213 -2.873 1.00 1.32 O ATOM 39 CB ALA A 4 4.052 2.126 -1.945 1.00 31.42 C ATOM 0 H ALA A 4 4.659 4.382 -1.165 1.00 12.33 H new ATOM 0 HA ALA A 4 5.545 1.755 -0.458 1.00 42.13 H new ATOM 0 HB1 ALA A 4 4.035 1.088 -2.278 1.00 31.42 H new ATOM 0 HB2 ALA A 4 3.258 2.286 -1.215 1.00 31.42 H new ATOM 0 HB3 ALA A 4 3.897 2.784 -2.800 1.00 31.42 H new ATOM 45 N LYS A 5 6.940 1.000 -2.550 1.00 24.13 N ATOM 46 CA LYS A 5 8.033 0.706 -3.483 1.00 4.41 C ATOM 47 C LYS A 5 7.730 1.153 -4.907 1.00 14.13 C ATOM 48 O LYS A 5 8.598 1.723 -5.555 1.00 63.32 O ATOM 49 CB LYS A 5 8.340 -0.799 -3.470 1.00 1.01 C ATOM 50 CG LYS A 5 9.410 -1.202 -4.471 1.00 35.40 C ATOM 51 CD LYS A 5 9.608 -2.701 -4.522 1.00 62.11 C ATOM 52 CE LYS A 5 10.067 -3.105 -5.916 1.00 54.01 C ATOM 53 NZ LYS A 5 11.266 -2.334 -6.350 1.00 62.32 N ATOM 0 H LYS A 5 6.522 0.177 -2.115 1.00 24.13 H new ATOM 0 HA LYS A 5 8.901 1.272 -3.144 1.00 4.41 H new ATOM 0 HB2 LYS A 5 8.661 -1.089 -2.469 1.00 1.01 H new ATOM 0 HB3 LYS A 5 7.425 -1.351 -3.684 1.00 1.01 H new ATOM 0 HG2 LYS A 5 9.134 -0.840 -5.461 1.00 35.40 H new ATOM 0 HG3 LYS A 5 10.352 -0.721 -4.207 1.00 35.40 H new ATOM 0 HD2 LYS A 5 10.347 -3.006 -3.781 1.00 62.11 H new ATOM 0 HD3 LYS A 5 8.677 -3.210 -4.272 1.00 62.11 H new ATOM 0 HE2 LYS A 5 10.296 -4.171 -5.928 1.00 54.01 H new ATOM 0 HE3 LYS A 5 9.256 -2.945 -6.626 1.00 54.01 H new ATOM 0 HZ1 LYS A 5 11.727 -2.826 -7.142 1.00 62.32 H new ATOM 0 HZ2 LYS A 5 10.975 -1.383 -6.656 1.00 62.32 H new ATOM 0 HZ3 LYS A 5 11.933 -2.254 -5.556 1.00 62.32 H new ATOM 67 N ALA A 6 6.501 0.883 -5.350 1.00 65.02 N ATOM 68 CA ALA A 6 6.024 1.189 -6.707 1.00 61.31 C ATOM 69 C ALA A 6 6.763 0.360 -7.794 1.00 41.12 C ATOM 70 O ALA A 6 7.872 -0.125 -7.569 1.00 71.12 O ATOM 71 CB ALA A 6 6.161 2.723 -6.970 1.00 20.24 C ATOM 0 H ALA A 6 5.793 0.437 -4.767 1.00 65.02 H new ATOM 0 HA ALA A 6 4.974 0.905 -6.772 1.00 61.31 H new ATOM 0 HB1 ALA A 6 5.808 2.953 -7.975 1.00 20.24 H new ATOM 0 HB2 ALA A 6 5.564 3.272 -6.242 1.00 20.24 H new ATOM 0 HB3 ALA A 6 7.207 3.016 -6.877 1.00 20.24 H new ATOM 77 N PRO A 7 6.139 0.173 -8.976 1.00 1.41 N ATOM 78 CA PRO A 7 6.824 -0.587 -10.037 1.00 61.22 C ATOM 79 C PRO A 7 7.948 0.221 -10.707 1.00 61.45 C ATOM 80 O PRO A 7 8.817 -0.305 -11.378 1.00 11.13 O ATOM 81 CB PRO A 7 5.693 -0.873 -11.025 1.00 63.34 C ATOM 82 CG PRO A 7 4.773 0.259 -10.880 1.00 30.11 C ATOM 83 CD PRO A 7 4.792 0.601 -9.417 1.00 44.22 C ATOM 0 HA PRO A 7 7.320 -1.481 -9.658 1.00 61.22 H new ATOM 0 HB2 PRO A 7 6.069 -0.949 -12.045 1.00 63.34 H new ATOM 0 HB3 PRO A 7 5.198 -1.817 -10.797 1.00 63.34 H new ATOM 0 HG2 PRO A 7 5.094 1.106 -11.486 1.00 30.11 H new ATOM 0 HG3 PRO A 7 3.768 -0.006 -11.209 1.00 30.11 H new ATOM 0 HD2 PRO A 7 4.636 1.667 -9.253 1.00 44.22 H new ATOM 0 HD3 PRO A 7 4.007 0.077 -8.873 1.00 44.22 H new ATOM 91 N GLU A 8 7.894 1.519 -10.497 1.00 2.21 N ATOM 92 CA GLU A 8 8.828 2.482 -11.089 1.00 13.54 C ATOM 93 C GLU A 8 10.042 2.789 -10.199 1.00 41.13 C ATOM 94 O GLU A 8 10.437 3.953 -10.062 1.00 3.00 O ATOM 95 CB GLU A 8 8.081 3.802 -11.356 1.00 41.41 C ATOM 96 CG GLU A 8 6.773 3.652 -12.122 1.00 3.43 C ATOM 97 CD GLU A 8 6.947 2.902 -13.432 1.00 10.53 C ATOM 98 OE1 GLU A 8 7.818 3.295 -14.237 1.00 3.31 O ATOM 99 OE2 GLU A 8 6.216 1.913 -13.648 1.00 30.44 O ATOM 0 H GLU A 8 7.190 1.953 -9.900 1.00 2.21 H new ATOM 0 HA GLU A 8 9.204 2.029 -12.006 1.00 13.54 H new ATOM 0 HB2 GLU A 8 7.873 4.285 -10.401 1.00 41.41 H new ATOM 0 HB3 GLU A 8 8.738 4.469 -11.914 1.00 41.41 H new ATOM 0 HG2 GLU A 8 6.050 3.126 -11.499 1.00 3.43 H new ATOM 0 HG3 GLU A 8 6.360 4.640 -12.325 1.00 3.43 H new ATOM 106 N SER A 9 10.631 1.789 -9.555 1.00 51.04 N ATOM 107 CA SER A 9 11.788 2.082 -8.701 1.00 60.22 C ATOM 108 C SER A 9 12.975 2.473 -9.592 1.00 3.11 C ATOM 109 O SER A 9 13.053 2.079 -10.751 1.00 41.14 O ATOM 110 CB SER A 9 12.163 0.904 -7.812 1.00 40.34 C ATOM 111 OG SER A 9 11.087 0.535 -6.971 1.00 73.55 O ATOM 0 H SER A 9 10.348 0.810 -9.598 1.00 51.04 H new ATOM 0 HA SER A 9 11.523 2.905 -8.038 1.00 60.22 H new ATOM 0 HB2 SER A 9 12.452 0.055 -8.432 1.00 40.34 H new ATOM 0 HB3 SER A 9 13.030 1.165 -7.205 1.00 40.34 H new ATOM 0 HG SER A 9 10.504 1.310 -6.826 1.00 73.55 H new ATOM 117 N ALA A 10 13.907 3.242 -9.043 1.00 72.25 N ATOM 118 CA ALA A 10 15.003 3.773 -9.828 1.00 25.15 C ATOM 119 C ALA A 10 15.839 2.755 -10.603 1.00 54.13 C ATOM 120 O ALA A 10 16.141 2.993 -11.760 1.00 44.11 O ATOM 121 CB ALA A 10 15.897 4.583 -8.961 1.00 72.31 C ATOM 0 H ALA A 10 13.922 3.509 -8.059 1.00 72.25 H new ATOM 0 HA ALA A 10 14.517 4.377 -10.594 1.00 25.15 H new ATOM 0 HB1 ALA A 10 16.719 4.980 -9.556 1.00 72.31 H new ATOM 0 HB2 ALA A 10 15.333 5.408 -8.526 1.00 72.31 H new ATOM 0 HB3 ALA A 10 16.296 3.956 -8.163 1.00 72.31 H new ATOM 127 N THR A 11 16.248 1.650 -9.996 1.00 22.54 N ATOM 128 CA THR A 11 17.007 0.651 -10.729 1.00 63.35 C ATOM 129 C THR A 11 16.115 -0.111 -11.714 1.00 13.11 C ATOM 130 O THR A 11 16.555 -0.583 -12.705 1.00 11.22 O ATOM 131 CB THR A 11 17.693 -0.356 -9.824 1.00 73.15 C ATOM 132 OG1 THR A 11 17.726 0.178 -8.470 1.00 31.30 O ATOM 133 CG2 THR A 11 19.083 -0.572 -10.266 1.00 65.53 C ATOM 0 H THR A 11 16.071 1.426 -9.017 1.00 22.54 H new ATOM 0 HA THR A 11 17.774 1.208 -11.267 1.00 63.35 H new ATOM 0 HB THR A 11 17.146 -1.298 -9.860 1.00 73.15 H new ATOM 0 HG1 THR A 11 18.166 -0.465 -7.875 1.00 31.30 H new ATOM 0 HG21 THR A 11 19.565 -1.296 -9.609 1.00 65.53 H new ATOM 0 HG22 THR A 11 19.085 -0.951 -11.288 1.00 65.53 H new ATOM 0 HG23 THR A 11 19.628 0.371 -10.228 1.00 65.53 H new ATOM 141 N GLU A 12 14.858 -0.287 -11.366 1.00 75.04 N ATOM 142 CA GLU A 12 13.982 -1.072 -12.193 1.00 22.22 C ATOM 143 C GLU A 12 13.784 -0.460 -13.551 1.00 12.53 C ATOM 144 O GLU A 12 13.712 -1.178 -14.560 1.00 43.41 O ATOM 145 CB GLU A 12 12.639 -1.208 -11.498 1.00 13.35 C ATOM 146 CG GLU A 12 12.752 -1.960 -10.217 1.00 33.44 C ATOM 147 CD GLU A 12 11.480 -2.253 -9.500 1.00 41.00 C ATOM 148 OE1 GLU A 12 10.647 -1.356 -9.288 1.00 70.41 O ATOM 149 OE2 GLU A 12 11.454 -3.341 -8.891 1.00 3.21 O ATOM 0 H GLU A 12 14.428 0.100 -10.526 1.00 75.04 H new ATOM 0 HA GLU A 12 14.443 -2.049 -12.339 1.00 22.22 H new ATOM 0 HB2 GLU A 12 12.229 -0.217 -11.303 1.00 13.35 H new ATOM 0 HB3 GLU A 12 11.938 -1.719 -12.158 1.00 13.35 H new ATOM 0 HG2 GLU A 12 13.254 -2.906 -10.421 1.00 33.44 H new ATOM 0 HG3 GLU A 12 13.399 -1.394 -9.546 1.00 33.44 H new ATOM 156 N LYS A 13 13.824 0.856 -13.587 1.00 72.41 N ATOM 157 CA LYS A 13 13.696 1.538 -14.888 1.00 13.40 C ATOM 158 C LYS A 13 14.885 1.310 -15.771 1.00 53.31 C ATOM 159 O LYS A 13 14.751 1.333 -17.007 1.00 51.13 O ATOM 160 CB LYS A 13 13.471 3.038 -14.637 1.00 20.31 C ATOM 161 CG LYS A 13 14.763 3.815 -14.553 1.00 13.31 C ATOM 162 CD LYS A 13 14.535 5.186 -13.961 1.00 15.33 C ATOM 163 CE LYS A 13 15.850 5.964 -13.970 1.00 31.13 C ATOM 164 NZ LYS A 13 15.638 7.364 -13.480 1.00 71.14 N ATOM 0 H LYS A 13 13.938 1.465 -12.777 1.00 72.41 H new ATOM 0 HA LYS A 13 12.842 1.118 -15.419 1.00 13.40 H new ATOM 0 HB2 LYS A 13 12.857 3.448 -15.438 1.00 20.31 H new ATOM 0 HB3 LYS A 13 12.913 3.167 -13.710 1.00 20.31 H new ATOM 0 HG2 LYS A 13 15.482 3.267 -13.943 1.00 13.31 H new ATOM 0 HG3 LYS A 13 15.198 3.913 -15.548 1.00 13.31 H new ATOM 0 HD2 LYS A 13 13.778 5.721 -14.535 1.00 15.33 H new ATOM 0 HD3 LYS A 13 14.159 5.097 -12.942 1.00 15.33 H new ATOM 0 HE2 LYS A 13 16.582 5.459 -13.339 1.00 31.13 H new ATOM 0 HE3 LYS A 13 16.260 5.985 -14.980 1.00 31.13 H new ATOM 0 HZ1 LYS A 13 16.542 7.877 -13.493 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 14.956 7.849 -14.098 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 15.268 7.339 -12.508 1.00 71.14 H new ATOM 178 N VAL A 14 16.068 1.120 -15.217 1.00 71.33 N ATOM 179 CA VAL A 14 17.272 1.006 -16.024 1.00 63.25 C ATOM 180 C VAL A 14 17.180 -0.358 -16.654 1.00 43.42 C ATOM 181 O VAL A 14 17.472 -0.488 -17.790 1.00 11.23 O ATOM 182 CB VAL A 14 18.611 1.247 -15.212 1.00 21.21 C ATOM 183 CG1 VAL A 14 18.415 2.354 -14.164 1.00 44.13 C ATOM 184 CG2 VAL A 14 19.135 0.002 -14.540 1.00 34.31 C ATOM 0 H VAL A 14 16.223 1.041 -14.212 1.00 71.33 H new ATOM 0 HA VAL A 14 17.323 1.791 -16.778 1.00 63.25 H new ATOM 0 HB VAL A 14 19.357 1.554 -15.945 1.00 21.21 H new ATOM 0 HG11 VAL A 14 19.345 2.505 -13.616 1.00 44.13 H new ATOM 0 HG12 VAL A 14 18.133 3.281 -14.663 1.00 44.13 H new ATOM 0 HG13 VAL A 14 17.628 2.062 -13.469 1.00 44.13 H new ATOM 0 HG21 VAL A 14 20.053 0.238 -14.002 1.00 34.31 H new ATOM 0 HG22 VAL A 14 18.390 -0.374 -13.839 1.00 34.31 H new ATOM 0 HG23 VAL A 14 19.341 -0.759 -15.293 1.00 34.31 H new ATOM 194 N LEU A 15 16.681 -1.348 -15.928 1.00 11.02 N ATOM 195 CA LEU A 15 16.585 -2.712 -16.411 1.00 32.15 C ATOM 196 C LEU A 15 15.549 -2.788 -17.508 1.00 14.31 C ATOM 197 O LEU A 15 15.770 -3.445 -18.514 1.00 11.41 O ATOM 198 CB LEU A 15 16.193 -3.614 -15.259 1.00 63.31 C ATOM 199 CG LEU A 15 17.160 -3.589 -14.087 1.00 34.02 C ATOM 200 CD1 LEU A 15 16.453 -4.079 -12.892 1.00 51.13 C ATOM 201 CD2 LEU A 15 18.390 -4.401 -14.319 1.00 71.33 C ATOM 0 H LEU A 15 16.329 -1.223 -14.979 1.00 11.02 H new ATOM 0 HA LEU A 15 17.546 -3.034 -16.813 1.00 32.15 H new ATOM 0 HB2 LEU A 15 15.204 -3.322 -14.905 1.00 63.31 H new ATOM 0 HB3 LEU A 15 16.111 -4.637 -15.626 1.00 63.31 H new ATOM 0 HG LEU A 15 17.496 -2.561 -13.954 1.00 34.02 H new ATOM 0 HD11 LEU A 15 17.131 -4.069 -12.038 1.00 51.13 H new ATOM 0 HD12 LEU A 15 15.599 -3.434 -12.685 1.00 51.13 H new ATOM 0 HD13 LEU A 15 16.105 -5.097 -13.067 1.00 51.13 H new ATOM 0 HD21 LEU A 15 19.037 -4.340 -13.444 1.00 71.33 H new ATOM 0 HD22 LEU A 15 18.112 -5.441 -14.493 1.00 71.33 H new ATOM 0 HD23 LEU A 15 18.921 -4.017 -15.190 1.00 71.33 H new ATOM 213 N CYS A 16 14.436 -2.102 -17.339 1.00 73.11 N ATOM 214 CA CYS A 16 13.432 -2.116 -18.380 1.00 71.15 C ATOM 215 C CYS A 16 13.968 -1.532 -19.667 1.00 62.24 C ATOM 216 O CYS A 16 13.536 -1.864 -20.796 1.00 2.54 O ATOM 217 CB CYS A 16 12.195 -1.222 -17.943 1.00 44.11 C ATOM 218 SG CYS A 16 11.333 -1.920 -16.492 1.00 20.34 S ATOM 0 H CYS A 16 14.209 -1.544 -16.516 1.00 73.11 H new ATOM 0 HA CYS A 16 13.140 -3.155 -18.535 1.00 71.15 H new ATOM 0 HB2 CYS A 16 12.539 -0.214 -17.711 1.00 44.11 H new ATOM 0 HB3 CYS A 16 11.496 -1.137 -18.775 1.00 44.11 H new ATOM 0 HG CYS A 16 12.078 -1.780 -15.436 1.00 20.34 H new ATOM 224 N ALA A 17 14.869 -0.546 -19.551 1.00 63.52 N ATOM 225 CA ALA A 17 15.463 0.009 -20.758 1.00 0.31 C ATOM 226 C ALA A 17 16.374 -0.938 -21.505 1.00 33.33 C ATOM 227 O ALA A 17 16.337 -1.185 -22.625 1.00 54.25 O ATOM 228 CB ALA A 17 16.242 1.283 -20.327 1.00 63.22 C ATOM 0 H ALA A 17 15.187 -0.136 -18.672 1.00 63.52 H new ATOM 0 HA ALA A 17 14.661 0.226 -21.464 1.00 0.31 H new ATOM 0 HB1 ALA A 17 16.708 1.738 -21.201 1.00 63.22 H new ATOM 0 HB2 ALA A 17 15.553 1.994 -19.872 1.00 63.22 H new ATOM 0 HB3 ALA A 17 17.012 1.012 -19.605 1.00 63.22 H new ATOM 234 N LEU A 18 17.175 -1.476 -20.681 1.00 52.10 N ATOM 235 CA LEU A 18 18.192 -2.287 -21.005 1.00 12.42 C ATOM 236 C LEU A 18 17.657 -3.699 -21.602 1.00 53.50 C ATOM 237 O LEU A 18 18.133 -4.290 -22.637 1.00 13.52 O ATOM 238 CB LEU A 18 18.954 -2.578 -19.701 1.00 70.14 C ATOM 239 CG LEU A 18 20.413 -2.310 -19.548 1.00 25.13 C ATOM 240 CD1 LEU A 18 21.207 -1.939 -20.745 1.00 62.30 C ATOM 241 CD2 LEU A 18 20.490 -1.269 -18.491 1.00 32.23 C ATOM 0 H LEU A 18 17.099 -1.324 -19.675 1.00 52.10 H new ATOM 0 HA LEU A 18 18.814 -1.811 -21.763 1.00 12.42 H new ATOM 0 HB2 LEU A 18 18.450 -2.018 -18.914 1.00 70.14 H new ATOM 0 HB3 LEU A 18 18.807 -3.636 -19.483 1.00 70.14 H new ATOM 0 HG LEU A 18 20.894 -3.258 -19.305 1.00 25.13 H new ATOM 0 HD11 LEU A 18 22.246 -1.780 -20.457 1.00 62.30 H new ATOM 0 HD12 LEU A 18 21.153 -2.742 -21.480 1.00 62.30 H new ATOM 0 HD13 LEU A 18 20.806 -1.023 -21.178 1.00 62.30 H new ATOM 0 HD21 LEU A 18 21.533 -1.009 -18.312 1.00 32.23 H new ATOM 0 HD22 LEU A 18 19.945 -0.382 -18.814 1.00 32.23 H new ATOM 0 HD23 LEU A 18 20.048 -1.651 -17.571 1.00 32.23 H new ATOM 253 N TYR A 19 16.447 -4.098 -21.160 1.00 40.53 N ATOM 254 CA TYR A 19 15.743 -5.236 -21.741 1.00 43.40 C ATOM 255 C TYR A 19 15.318 -4.840 -23.142 1.00 72.50 C ATOM 256 O TYR A 19 15.521 -5.605 -24.089 1.00 11.10 O ATOM 257 CB TYR A 19 14.495 -5.584 -20.894 1.00 63.14 C ATOM 258 CG TYR A 19 14.711 -6.513 -19.707 1.00 41.11 C ATOM 259 CD1 TYR A 19 15.846 -6.411 -18.867 1.00 0.53 C ATOM 260 CD2 TYR A 19 13.751 -7.502 -19.406 1.00 52.14 C ATOM 261 CE1 TYR A 19 15.997 -7.267 -17.733 1.00 14.24 C ATOM 262 CE2 TYR A 19 13.913 -8.358 -18.284 1.00 55.23 C ATOM 263 CZ TYR A 19 15.029 -8.225 -17.459 1.00 4.41 C ATOM 264 OH TYR A 19 15.180 -9.052 -16.376 1.00 32.32 O ATOM 0 H TYR A 19 15.944 -3.641 -20.400 1.00 40.53 H new ATOM 0 HA TYR A 19 16.391 -6.112 -21.764 1.00 43.40 H new ATOM 0 HB2 TYR A 19 14.065 -4.653 -20.524 1.00 63.14 H new ATOM 0 HB3 TYR A 19 13.754 -6.039 -21.551 1.00 63.14 H new ATOM 0 HD1 TYR A 19 16.607 -5.677 -19.086 1.00 0.53 H new ATOM 0 HD2 TYR A 19 12.881 -7.610 -20.037 1.00 52.14 H new ATOM 0 HE1 TYR A 19 16.860 -7.170 -17.091 1.00 14.24 H new ATOM 0 HE2 TYR A 19 13.171 -9.113 -18.070 1.00 55.23 H new ATOM 0 HH TYR A 19 14.513 -9.769 -16.416 1.00 32.32 H new ATOM 274 N ALA A 20 14.738 -3.652 -23.294 1.00 73.41 N ATOM 275 CA ALA A 20 14.284 -3.196 -24.607 1.00 40.22 C ATOM 276 C ALA A 20 15.423 -3.033 -25.613 1.00 11.42 C ATOM 277 O ALA A 20 15.257 -3.370 -26.771 1.00 33.43 O ATOM 278 CB ALA A 20 13.504 -1.872 -24.455 1.00 24.53 C ATOM 0 H ALA A 20 14.572 -2.993 -22.533 1.00 73.41 H new ATOM 0 HA ALA A 20 13.630 -3.970 -25.009 1.00 40.22 H new ATOM 0 HB1 ALA A 20 13.167 -1.534 -25.435 1.00 24.53 H new ATOM 0 HB2 ALA A 20 12.641 -2.030 -23.809 1.00 24.53 H new ATOM 0 HB3 ALA A 20 14.153 -1.116 -24.014 1.00 24.53 H new ATOM 284 N GLU A 21 16.583 -2.569 -25.161 1.00 3.43 N ATOM 285 CA GLU A 21 17.756 -2.425 -26.036 1.00 62.32 C ATOM 286 C GLU A 21 18.150 -3.757 -26.649 1.00 71.43 C ATOM 287 O GLU A 21 18.553 -3.844 -27.812 1.00 32.43 O ATOM 288 CB GLU A 21 18.974 -1.946 -25.234 1.00 42.11 C ATOM 289 CG GLU A 21 18.959 -0.497 -24.804 1.00 3.14 C ATOM 290 CD GLU A 21 20.124 -0.189 -23.864 1.00 61.03 C ATOM 291 OE1 GLU A 21 21.220 -0.799 -24.018 1.00 41.52 O ATOM 292 OE2 GLU A 21 19.936 0.631 -22.945 1.00 63.05 O ATOM 0 H GLU A 21 16.743 -2.284 -24.195 1.00 3.43 H new ATOM 0 HA GLU A 21 17.480 -1.707 -26.808 1.00 62.32 H new ATOM 0 HB2 GLU A 21 19.064 -2.567 -24.343 1.00 42.11 H new ATOM 0 HB3 GLU A 21 19.868 -2.117 -25.833 1.00 42.11 H new ATOM 0 HG2 GLU A 21 19.016 0.146 -25.682 1.00 3.14 H new ATOM 0 HG3 GLU A 21 18.016 -0.272 -24.305 1.00 3.14 H new ATOM 299 N ILE A 22 18.091 -4.792 -25.831 1.00 55.03 N ATOM 300 CA ILE A 22 18.547 -6.112 -26.233 1.00 51.23 C ATOM 301 C ILE A 22 17.478 -6.861 -27.031 1.00 22.20 C ATOM 302 O ILE A 22 17.804 -7.582 -27.988 1.00 13.12 O ATOM 303 CB ILE A 22 18.933 -6.915 -24.980 1.00 25.41 C ATOM 304 CG1 ILE A 22 20.194 -6.310 -24.351 1.00 3.12 C ATOM 305 CG2 ILE A 22 19.201 -8.386 -25.291 1.00 10.20 C ATOM 306 CD1 ILE A 22 20.637 -6.983 -23.099 1.00 71.15 C ATOM 0 H ILE A 22 17.730 -4.744 -24.878 1.00 55.03 H new ATOM 0 HA ILE A 22 19.414 -5.994 -26.882 1.00 51.23 H new ATOM 0 HB ILE A 22 18.089 -6.863 -24.292 1.00 25.41 H new ATOM 0 HG12 ILE A 22 21.005 -6.352 -25.078 1.00 3.12 H new ATOM 0 HG13 ILE A 22 20.010 -5.257 -24.138 1.00 3.12 H new ATOM 0 HG21 ILE A 22 19.470 -8.909 -24.373 1.00 10.20 H new ATOM 0 HG22 ILE A 22 18.305 -8.837 -25.717 1.00 10.20 H new ATOM 0 HG23 ILE A 22 20.020 -8.463 -26.006 1.00 10.20 H new ATOM 0 HD11 ILE A 22 21.534 -6.493 -22.721 1.00 71.15 H new ATOM 0 HD12 ILE A 22 19.846 -6.919 -22.352 1.00 71.15 H new ATOM 0 HD13 ILE A 22 20.856 -8.030 -23.307 1.00 71.15 H new ATOM 318 N LEU A 23 16.222 -6.715 -26.633 1.00 30.42 N ATOM 319 CA LEU A 23 15.124 -7.446 -27.263 1.00 23.44 C ATOM 320 C LEU A 23 14.599 -6.745 -28.513 1.00 55.50 C ATOM 321 O LEU A 23 13.989 -7.379 -29.366 1.00 70.42 O ATOM 322 CB LEU A 23 13.971 -7.613 -26.262 1.00 12.20 C ATOM 323 CG LEU A 23 13.977 -8.821 -25.304 1.00 33.23 C ATOM 324 CD1 LEU A 23 13.740 -10.091 -26.097 1.00 20.13 C ATOM 325 CD2 LEU A 23 15.243 -8.977 -24.467 1.00 20.52 C ATOM 0 H LEU A 23 15.934 -6.096 -25.875 1.00 30.42 H new ATOM 0 HA LEU A 23 15.516 -8.417 -27.564 1.00 23.44 H new ATOM 0 HB2 LEU A 23 13.933 -6.710 -25.652 1.00 12.20 H new ATOM 0 HB3 LEU A 23 13.043 -7.652 -26.833 1.00 12.20 H new ATOM 0 HG LEU A 23 13.175 -8.633 -24.590 1.00 33.23 H new ATOM 0 HD11 LEU A 23 13.744 -10.947 -25.422 1.00 20.13 H new ATOM 0 HD12 LEU A 23 12.776 -10.030 -26.601 1.00 20.13 H new ATOM 0 HD13 LEU A 23 14.530 -10.210 -26.838 1.00 20.13 H new ATOM 0 HD21 LEU A 23 15.150 -9.854 -23.826 1.00 20.52 H new ATOM 0 HD22 LEU A 23 16.102 -9.099 -25.126 1.00 20.52 H new ATOM 0 HD23 LEU A 23 15.382 -8.090 -23.849 1.00 20.52 H new ATOM 337 N GLY A 24 14.822 -5.444 -28.614 1.00 42.11 N ATOM 338 CA GLY A 24 14.349 -4.686 -29.764 1.00 24.14 C ATOM 339 C GLY A 24 12.866 -4.358 -29.695 1.00 4.41 C ATOM 340 O GLY A 24 12.204 -4.302 -30.734 1.00 14.21 O ATOM 0 H GLY A 24 15.325 -4.893 -27.918 1.00 42.11 H new ATOM 0 HA2 GLY A 24 14.917 -3.759 -29.838 1.00 24.14 H new ATOM 0 HA3 GLY A 24 14.547 -5.255 -30.673 1.00 24.14 H new ATOM 344 N VAL A 25 12.333 -4.156 -28.496 1.00 35.31 N ATOM 345 CA VAL A 25 10.901 -3.883 -28.330 1.00 54.11 C ATOM 346 C VAL A 25 10.569 -2.421 -28.109 1.00 45.41 C ATOM 347 O VAL A 25 11.401 -1.622 -27.699 1.00 23.12 O ATOM 348 CB VAL A 25 10.275 -4.663 -27.135 1.00 71.12 C ATOM 349 CG1 VAL A 25 10.391 -6.131 -27.353 1.00 62.25 C ATOM 350 CG2 VAL A 25 10.926 -4.296 -25.828 1.00 2.13 C ATOM 0 H VAL A 25 12.863 -4.175 -27.625 1.00 35.31 H new ATOM 0 HA VAL A 25 10.479 -4.213 -29.279 1.00 54.11 H new ATOM 0 HB VAL A 25 9.223 -4.384 -27.083 1.00 71.12 H new ATOM 0 HG11 VAL A 25 9.949 -6.660 -26.509 1.00 62.25 H new ATOM 0 HG12 VAL A 25 9.867 -6.405 -28.268 1.00 62.25 H new ATOM 0 HG13 VAL A 25 11.443 -6.404 -27.442 1.00 62.25 H new ATOM 0 HG21 VAL A 25 10.462 -4.861 -25.019 1.00 2.13 H new ATOM 0 HG22 VAL A 25 11.989 -4.532 -25.872 1.00 2.13 H new ATOM 0 HG23 VAL A 25 10.799 -3.229 -25.645 1.00 2.13 H new ATOM 360 N GLU A 26 9.300 -2.114 -28.317 1.00 54.32 N ATOM 361 CA GLU A 26 8.744 -0.800 -28.052 1.00 43.33 C ATOM 362 C GLU A 26 8.544 -0.553 -26.552 1.00 22.31 C ATOM 363 O GLU A 26 8.544 0.590 -26.102 1.00 62.31 O ATOM 364 CB GLU A 26 7.378 -0.727 -28.718 1.00 45.23 C ATOM 365 CG GLU A 26 7.429 -0.698 -30.246 1.00 62.13 C ATOM 366 CD GLU A 26 6.044 -0.578 -30.878 1.00 73.33 C ATOM 367 OE1 GLU A 26 5.034 -0.722 -30.152 1.00 20.45 O ATOM 368 OE2 GLU A 26 5.967 -0.353 -32.107 1.00 23.24 O ATOM 0 H GLU A 26 8.618 -2.780 -28.680 1.00 54.32 H new ATOM 0 HA GLU A 26 9.437 -0.052 -28.437 1.00 43.33 H new ATOM 0 HB2 GLU A 26 6.785 -1.585 -28.401 1.00 45.23 H new ATOM 0 HB3 GLU A 26 6.861 0.165 -28.365 1.00 45.23 H new ATOM 0 HG2 GLU A 26 8.046 0.141 -30.569 1.00 62.13 H new ATOM 0 HG3 GLU A 26 7.912 -1.606 -30.607 1.00 62.13 H new ATOM 375 N ARG A 27 8.322 -1.621 -25.781 1.00 63.11 N ATOM 376 CA ARG A 27 7.988 -1.471 -24.358 1.00 21.33 C ATOM 377 C ARG A 27 8.326 -2.713 -23.550 1.00 24.41 C ATOM 378 O ARG A 27 8.064 -3.825 -23.985 1.00 42.51 O ATOM 379 CB ARG A 27 6.470 -1.194 -24.240 1.00 65.50 C ATOM 380 CG ARG A 27 5.947 -0.895 -22.818 1.00 63.21 C ATOM 381 CD ARG A 27 5.421 -2.159 -22.102 1.00 53.05 C ATOM 382 NE ARG A 27 4.202 -2.698 -22.730 1.00 4.44 N ATOM 383 CZ ARG A 27 3.730 -3.930 -22.555 1.00 12.41 C ATOM 384 NH1 ARG A 27 4.328 -4.819 -21.799 1.00 54.12 N ATOM 385 NH2 ARG A 27 2.627 -4.274 -23.161 1.00 60.51 N ATOM 0 H ARG A 27 8.366 -2.586 -26.109 1.00 63.11 H new ATOM 0 HA ARG A 27 8.579 -0.647 -23.957 1.00 21.33 H new ATOM 0 HB2 ARG A 27 6.224 -0.348 -24.882 1.00 65.50 H new ATOM 0 HB3 ARG A 27 5.931 -2.058 -24.630 1.00 65.50 H new ATOM 0 HG2 ARG A 27 6.748 -0.453 -22.226 1.00 63.21 H new ATOM 0 HG3 ARG A 27 5.148 -0.156 -22.876 1.00 63.21 H new ATOM 0 HD2 ARG A 27 6.197 -2.925 -22.107 1.00 53.05 H new ATOM 0 HD3 ARG A 27 5.214 -1.922 -21.059 1.00 53.05 H new ATOM 0 HE ARG A 27 3.678 -2.078 -23.348 1.00 4.44 H new ATOM 0 HH11 ARG A 27 5.193 -4.578 -21.315 1.00 54.12 H new ATOM 0 HH12 ARG A 27 3.928 -5.752 -21.695 1.00 54.12 H new ATOM 0 HH21 ARG A 27 2.142 -3.603 -23.757 1.00 60.51 H new ATOM 0 HH22 ARG A 27 2.250 -5.214 -23.039 1.00 60.51 H new ATOM 399 N VAL A 28 8.820 -2.499 -22.337 1.00 63.24 N ATOM 400 CA VAL A 28 9.027 -3.572 -21.363 1.00 43.40 C ATOM 401 C VAL A 28 8.339 -3.132 -20.075 1.00 71.14 C ATOM 402 O VAL A 28 8.508 -1.999 -19.632 1.00 51.44 O ATOM 403 CB VAL A 28 10.542 -3.814 -21.094 1.00 11.33 C ATOM 404 CG1 VAL A 28 10.758 -4.875 -20.012 1.00 54.33 C ATOM 405 CG2 VAL A 28 11.218 -4.257 -22.357 1.00 51.03 C ATOM 0 H VAL A 28 9.090 -1.576 -21.997 1.00 63.24 H new ATOM 0 HA VAL A 28 8.616 -4.507 -21.743 1.00 43.40 H new ATOM 0 HB VAL A 28 10.971 -2.874 -20.746 1.00 11.33 H new ATOM 0 HG11 VAL A 28 11.826 -5.018 -19.851 1.00 54.33 H new ATOM 0 HG12 VAL A 28 10.291 -4.548 -19.083 1.00 54.33 H new ATOM 0 HG13 VAL A 28 10.310 -5.816 -20.331 1.00 54.33 H new ATOM 0 HG21 VAL A 28 12.277 -4.425 -22.163 1.00 51.03 H new ATOM 0 HG22 VAL A 28 10.762 -5.183 -22.708 1.00 51.03 H new ATOM 0 HG23 VAL A 28 11.106 -3.486 -23.119 1.00 51.03 H new ATOM 415 N GLY A 29 7.542 -4.019 -19.503 1.00 10.24 N ATOM 416 CA GLY A 29 6.894 -3.760 -18.229 1.00 13.12 C ATOM 417 C GLY A 29 7.802 -4.290 -17.140 1.00 4.51 C ATOM 418 O GLY A 29 8.649 -5.138 -17.394 1.00 35.21 O ATOM 0 H GLY A 29 7.327 -4.932 -19.905 1.00 10.24 H new ATOM 0 HA2 GLY A 29 6.721 -2.692 -18.097 1.00 13.12 H new ATOM 0 HA3 GLY A 29 5.920 -4.249 -18.188 1.00 13.12 H new ATOM 422 N VAL A 30 7.670 -3.779 -15.928 1.00 20.53 N ATOM 423 CA VAL A 30 8.617 -4.134 -14.870 1.00 15.20 C ATOM 424 C VAL A 30 8.517 -5.596 -14.409 1.00 15.14 C ATOM 425 O VAL A 30 9.445 -6.119 -13.794 1.00 12.32 O ATOM 426 CB VAL A 30 8.543 -3.121 -13.677 1.00 42.12 C ATOM 427 CG1 VAL A 30 7.486 -3.473 -12.626 1.00 42.32 C ATOM 428 CG2 VAL A 30 9.894 -2.942 -13.072 1.00 70.15 C ATOM 0 H VAL A 30 6.934 -3.130 -15.649 1.00 20.53 H new ATOM 0 HA VAL A 30 9.610 -4.052 -15.313 1.00 15.20 H new ATOM 0 HB VAL A 30 8.212 -2.169 -14.093 1.00 42.12 H new ATOM 0 HG11 VAL A 30 7.497 -2.724 -11.834 1.00 42.32 H new ATOM 0 HG12 VAL A 30 6.501 -3.493 -13.093 1.00 42.32 H new ATOM 0 HG13 VAL A 30 7.706 -4.453 -12.202 1.00 42.32 H new ATOM 0 HG21 VAL A 30 9.831 -2.236 -12.244 1.00 70.15 H new ATOM 0 HG22 VAL A 30 10.258 -3.901 -12.704 1.00 70.15 H new ATOM 0 HG23 VAL A 30 10.582 -2.558 -13.825 1.00 70.15 H new ATOM 438 N ASP A 31 7.422 -6.270 -14.739 1.00 64.44 N ATOM 439 CA ASP A 31 7.267 -7.697 -14.406 1.00 45.31 C ATOM 440 C ASP A 31 7.238 -8.573 -15.667 1.00 53.12 C ATOM 441 O ASP A 31 6.847 -9.736 -15.624 1.00 1.55 O ATOM 442 CB ASP A 31 6.049 -7.919 -13.519 1.00 14.15 C ATOM 443 CG ASP A 31 6.380 -8.734 -12.246 1.00 43.42 C ATOM 444 OD1 ASP A 31 7.576 -8.808 -11.839 1.00 14.15 O ATOM 445 OD2 ASP A 31 5.427 -9.219 -11.599 1.00 42.40 O ATOM 0 H ASP A 31 6.628 -5.863 -15.234 1.00 64.44 H new ATOM 0 HA ASP A 31 8.143 -8.007 -13.836 1.00 45.31 H new ATOM 0 HB2 ASP A 31 5.634 -6.953 -13.230 1.00 14.15 H new ATOM 0 HB3 ASP A 31 5.279 -8.439 -14.089 1.00 14.15 H new ATOM 450 N ASP A 32 7.693 -8.022 -16.775 1.00 61.12 N ATOM 451 CA ASP A 32 7.809 -8.781 -18.039 1.00 42.32 C ATOM 452 C ASP A 32 9.060 -9.605 -17.887 1.00 22.24 C ATOM 453 O ASP A 32 10.151 -9.073 -17.673 1.00 4.13 O ATOM 454 CB ASP A 32 7.958 -7.853 -19.274 1.00 3.30 C ATOM 455 CG ASP A 32 6.693 -7.070 -19.587 1.00 23.54 C ATOM 456 OD1 ASP A 32 5.765 -6.976 -18.751 1.00 34.01 O ATOM 457 OD2 ASP A 32 6.694 -6.419 -20.654 1.00 71.22 O ATOM 0 H ASP A 32 7.993 -7.050 -16.842 1.00 61.12 H new ATOM 0 HA ASP A 32 6.912 -9.377 -18.208 1.00 42.32 H new ATOM 0 HB2 ASP A 32 8.777 -7.155 -19.100 1.00 3.30 H new ATOM 0 HB3 ASP A 32 8.231 -8.454 -20.142 1.00 3.30 H new ATOM 462 N ALA A 33 8.915 -10.918 -17.976 1.00 64.25 N ATOM 463 CA ALA A 33 10.052 -11.785 -17.827 1.00 12.40 C ATOM 464 C ALA A 33 10.901 -11.658 -19.082 1.00 11.41 C ATOM 465 O ALA A 33 10.373 -11.559 -20.183 1.00 11.52 O ATOM 466 CB ALA A 33 9.580 -13.211 -17.607 1.00 44.01 C ATOM 0 H ALA A 33 8.029 -11.393 -18.149 1.00 64.25 H new ATOM 0 HA ALA A 33 10.652 -11.506 -16.961 1.00 12.40 H new ATOM 0 HB1 ALA A 33 10.443 -13.867 -17.494 1.00 44.01 H new ATOM 0 HB2 ALA A 33 8.969 -13.257 -16.705 1.00 44.01 H new ATOM 0 HB3 ALA A 33 8.988 -13.534 -18.463 1.00 44.01 H new ATOM 472 N PHE A 34 12.212 -11.737 -18.917 1.00 64.21 N ATOM 473 CA PHE A 34 13.136 -11.693 -20.046 1.00 1.32 C ATOM 474 C PHE A 34 12.776 -12.800 -21.038 1.00 43.22 C ATOM 475 O PHE A 34 12.894 -12.639 -22.243 1.00 45.22 O ATOM 476 CB PHE A 34 14.569 -11.872 -19.528 1.00 13.23 C ATOM 477 CG PHE A 34 15.633 -11.498 -20.523 1.00 10.24 C ATOM 478 CD1 PHE A 34 16.058 -10.162 -20.632 1.00 53.44 C ATOM 479 CD2 PHE A 34 16.232 -12.474 -21.341 1.00 5.12 C ATOM 480 CE1 PHE A 34 17.076 -9.794 -21.538 1.00 41.54 C ATOM 481 CE2 PHE A 34 17.257 -12.117 -22.255 1.00 3.33 C ATOM 482 CZ PHE A 34 17.680 -10.771 -22.345 1.00 11.34 C ATOM 0 H PHE A 34 12.665 -11.832 -18.008 1.00 64.21 H new ATOM 0 HA PHE A 34 13.064 -10.733 -20.556 1.00 1.32 H new ATOM 0 HB2 PHE A 34 14.698 -11.267 -18.630 1.00 13.23 H new ATOM 0 HB3 PHE A 34 14.711 -12.912 -19.235 1.00 13.23 H new ATOM 0 HD1 PHE A 34 15.598 -9.406 -20.013 1.00 53.44 H new ATOM 0 HD2 PHE A 34 15.909 -13.502 -21.273 1.00 5.12 H new ATOM 0 HE1 PHE A 34 17.389 -8.763 -21.610 1.00 41.54 H new ATOM 0 HE2 PHE A 34 17.712 -12.871 -22.880 1.00 3.33 H new ATOM 0 HZ PHE A 34 18.466 -10.495 -23.033 1.00 11.34 H new ATOM 492 N HIS A 35 12.286 -13.910 -20.510 1.00 24.23 N ATOM 493 CA HIS A 35 11.862 -15.036 -21.331 1.00 61.51 C ATOM 494 C HIS A 35 10.503 -14.827 -22.014 1.00 52.12 C ATOM 495 O HIS A 35 10.288 -15.353 -23.095 1.00 2.41 O ATOM 496 CB HIS A 35 11.807 -16.303 -20.472 1.00 2.42 C ATOM 497 CG HIS A 35 11.561 -17.553 -21.258 1.00 20.02 C ATOM 498 ND1 HIS A 35 12.197 -17.869 -22.435 1.00 2.24 N ATOM 499 CD2 HIS A 35 10.710 -18.591 -21.029 1.00 0.41 C ATOM 500 CE1 HIS A 35 11.728 -19.037 -22.859 1.00 74.51 C ATOM 501 NE2 HIS A 35 10.825 -19.528 -22.035 1.00 32.42 N ATOM 0 H HIS A 35 12.171 -14.057 -19.507 1.00 24.23 H new ATOM 0 HA HIS A 35 12.600 -15.132 -22.127 1.00 61.51 H new ATOM 0 HB2 HIS A 35 12.747 -16.405 -19.930 1.00 2.42 H new ATOM 0 HB3 HIS A 35 11.019 -16.192 -19.727 1.00 2.42 H new ATOM 0 HD2 HIS A 35 10.043 -18.669 -20.183 1.00 0.41 H new ATOM 0 HE1 HIS A 35 12.048 -19.525 -23.768 1.00 74.51 H new ATOM 0 HE2 HIS A 35 10.320 -20.410 -22.122 1.00 32.42 H new ATOM 509 N ASP A 36 9.596 -14.055 -21.418 1.00 55.12 N ATOM 510 CA ASP A 36 8.268 -13.847 -22.016 1.00 63.43 C ATOM 511 C ASP A 36 8.421 -12.996 -23.269 1.00 23.40 C ATOM 512 O ASP A 36 7.719 -13.158 -24.256 1.00 32.32 O ATOM 513 CB ASP A 36 7.343 -13.147 -21.020 1.00 53.43 C ATOM 514 CG ASP A 36 5.889 -13.186 -21.451 1.00 70.22 C ATOM 515 OD1 ASP A 36 5.380 -14.299 -21.711 1.00 0.22 O ATOM 516 OD2 ASP A 36 5.236 -12.125 -21.444 1.00 54.22 O ATOM 0 H ASP A 36 9.747 -13.568 -20.535 1.00 55.12 H new ATOM 0 HA ASP A 36 7.830 -14.811 -22.275 1.00 63.43 H new ATOM 0 HB2 ASP A 36 7.442 -13.620 -20.043 1.00 53.43 H new ATOM 0 HB3 ASP A 36 7.657 -12.110 -20.905 1.00 53.43 H new ATOM 521 N LEU A 37 9.433 -12.141 -23.235 1.00 45.25 N ATOM 522 CA LEU A 37 9.794 -11.300 -24.373 1.00 15.11 C ATOM 523 C LEU A 37 10.502 -12.101 -25.476 1.00 70.50 C ATOM 524 O LEU A 37 10.866 -11.555 -26.510 1.00 51.41 O ATOM 525 CB LEU A 37 10.726 -10.182 -23.892 1.00 1.33 C ATOM 526 CG LEU A 37 10.144 -9.172 -22.890 1.00 15.14 C ATOM 527 CD1 LEU A 37 11.272 -8.380 -22.233 1.00 15.21 C ATOM 528 CD2 LEU A 37 9.189 -8.219 -23.595 1.00 2.51 C ATOM 0 H LEU A 37 10.029 -12.009 -22.418 1.00 45.25 H new ATOM 0 HA LEU A 37 8.876 -10.889 -24.792 1.00 15.11 H new ATOM 0 HB2 LEU A 37 11.603 -10.644 -23.437 1.00 1.33 H new ATOM 0 HB3 LEU A 37 11.073 -9.631 -24.766 1.00 1.33 H new ATOM 0 HG LEU A 37 9.595 -9.718 -22.123 1.00 15.14 H new ATOM 0 HD11 LEU A 37 10.851 -7.667 -21.525 1.00 15.21 H new ATOM 0 HD12 LEU A 37 11.938 -9.064 -21.707 1.00 15.21 H new ATOM 0 HD13 LEU A 37 11.833 -7.843 -22.998 1.00 15.21 H new ATOM 0 HD21 LEU A 37 8.784 -7.509 -22.873 1.00 2.51 H new ATOM 0 HD22 LEU A 37 9.725 -7.678 -24.375 1.00 2.51 H new ATOM 0 HD23 LEU A 37 8.373 -8.787 -24.042 1.00 2.51 H new ATOM 540 N GLY A 38 10.725 -13.390 -25.243 1.00 63.44 N ATOM 541 CA GLY A 38 11.423 -14.229 -26.208 1.00 5.05 C ATOM 542 C GLY A 38 12.932 -14.194 -26.040 1.00 13.05 C ATOM 543 O GLY A 38 13.684 -14.656 -26.905 1.00 1.40 O ATOM 0 H GLY A 38 10.433 -13.875 -24.395 1.00 63.44 H new ATOM 0 HA2 GLY A 38 11.075 -15.257 -26.107 1.00 5.05 H new ATOM 0 HA3 GLY A 38 11.167 -13.904 -27.216 1.00 5.05 H new ATOM 547 N GLY A 39 13.394 -13.644 -24.925 1.00 51.24 N ATOM 548 CA GLY A 39 14.823 -13.537 -24.685 1.00 33.34 C ATOM 549 C GLY A 39 15.489 -14.890 -24.534 1.00 55.33 C ATOM 550 O GLY A 39 14.941 -15.814 -23.922 1.00 73.10 O ATOM 0 H GLY A 39 12.806 -13.269 -24.181 1.00 51.24 H new ATOM 0 HA2 GLY A 39 15.287 -12.997 -25.510 1.00 33.34 H new ATOM 0 HA3 GLY A 39 14.994 -12.949 -23.783 1.00 33.34 H new ATOM 554 N SER A 40 16.684 -15.007 -25.096 1.00 63.25 N ATOM 555 CA SER A 40 17.426 -16.266 -25.088 1.00 72.11 C ATOM 556 C SER A 40 18.644 -16.125 -24.190 1.00 2.44 C ATOM 557 O SER A 40 19.032 -15.011 -23.844 1.00 70.13 O ATOM 558 CB SER A 40 17.876 -16.605 -26.503 1.00 71.22 C ATOM 559 OG SER A 40 16.770 -16.700 -27.378 1.00 20.14 O ATOM 0 H SER A 40 17.165 -14.241 -25.567 1.00 63.25 H new ATOM 0 HA SER A 40 16.784 -17.063 -24.714 1.00 72.11 H new ATOM 0 HB2 SER A 40 18.564 -15.840 -26.863 1.00 71.22 H new ATOM 0 HB3 SER A 40 18.422 -17.548 -26.498 1.00 71.22 H new ATOM 0 HG SER A 40 17.085 -16.917 -28.280 1.00 20.14 H new ATOM 565 N SER A 41 19.285 -17.235 -23.853 1.00 33.44 N ATOM 566 CA SER A 41 20.455 -17.224 -22.975 1.00 23.50 C ATOM 567 C SER A 41 21.588 -16.325 -23.471 1.00 65.24 C ATOM 568 O SER A 41 22.247 -15.668 -22.685 1.00 75.41 O ATOM 569 CB SER A 41 20.966 -18.654 -22.827 1.00 23.42 C ATOM 570 OG SER A 41 20.012 -19.552 -23.378 1.00 63.01 O ATOM 0 H SER A 41 19.014 -18.164 -24.176 1.00 33.44 H new ATOM 0 HA SER A 41 20.136 -16.811 -22.018 1.00 23.50 H new ATOM 0 HB2 SER A 41 21.923 -18.765 -23.336 1.00 23.42 H new ATOM 0 HB3 SER A 41 21.135 -18.885 -21.775 1.00 23.42 H new ATOM 0 HG SER A 41 20.338 -20.472 -23.286 1.00 63.01 H new ATOM 576 N ALA A 42 21.787 -16.265 -24.780 1.00 73.42 N ATOM 577 CA ALA A 42 22.832 -15.412 -25.348 1.00 32.54 C ATOM 578 C ALA A 42 22.523 -13.930 -25.070 1.00 13.14 C ATOM 579 O ALA A 42 23.414 -13.148 -24.730 1.00 53.02 O ATOM 580 CB ALA A 42 22.953 -15.657 -26.853 1.00 74.12 C ATOM 0 H ALA A 42 21.246 -16.790 -25.467 1.00 73.42 H new ATOM 0 HA ALA A 42 23.782 -15.662 -24.876 1.00 32.54 H new ATOM 0 HB1 ALA A 42 23.733 -15.017 -27.264 1.00 74.12 H new ATOM 0 HB2 ALA A 42 23.208 -16.701 -27.032 1.00 74.12 H new ATOM 0 HB3 ALA A 42 22.003 -15.428 -27.336 1.00 74.12 H new ATOM 586 N LEU A 43 21.255 -13.553 -25.191 1.00 15.23 N ATOM 587 CA LEU A 43 20.857 -12.162 -24.934 1.00 24.53 C ATOM 588 C LEU A 43 20.950 -11.885 -23.443 1.00 14.21 C ATOM 589 O LEU A 43 21.290 -10.786 -23.046 1.00 4.14 O ATOM 590 CB LEU A 43 19.414 -11.908 -25.422 1.00 1.10 C ATOM 591 CG LEU A 43 19.124 -11.751 -26.927 1.00 33.34 C ATOM 592 CD1 LEU A 43 19.536 -12.938 -27.792 1.00 33.23 C ATOM 593 CD2 LEU A 43 17.620 -11.499 -27.116 1.00 22.41 C ATOM 0 H LEU A 43 20.492 -14.174 -25.460 1.00 15.23 H new ATOM 0 HA LEU A 43 21.526 -11.496 -25.479 1.00 24.53 H new ATOM 0 HB2 LEU A 43 18.800 -12.731 -25.058 1.00 1.10 H new ATOM 0 HB3 LEU A 43 19.060 -11.003 -24.928 1.00 1.10 H new ATOM 0 HG LEU A 43 19.734 -10.912 -27.263 1.00 33.34 H new ATOM 0 HD11 LEU A 43 19.291 -12.731 -28.834 1.00 33.23 H new ATOM 0 HD12 LEU A 43 20.609 -13.102 -27.697 1.00 33.23 H new ATOM 0 HD13 LEU A 43 19.002 -13.830 -27.464 1.00 33.23 H new ATOM 0 HD21 LEU A 43 17.401 -11.386 -28.178 1.00 22.41 H new ATOM 0 HD22 LEU A 43 17.057 -12.343 -26.717 1.00 22.41 H new ATOM 0 HD23 LEU A 43 17.334 -10.589 -26.588 1.00 22.41 H new ATOM 605 N ALA A 44 20.654 -12.889 -22.629 1.00 70.13 N ATOM 606 CA ALA A 44 20.739 -12.745 -21.182 1.00 61.23 C ATOM 607 C ALA A 44 22.185 -12.491 -20.728 1.00 30.14 C ATOM 608 O ALA A 44 22.416 -11.725 -19.822 1.00 70.41 O ATOM 609 CB ALA A 44 20.153 -13.979 -20.490 1.00 33.32 C ATOM 0 H ALA A 44 20.353 -13.811 -22.945 1.00 70.13 H new ATOM 0 HA ALA A 44 20.150 -11.875 -20.892 1.00 61.23 H new ATOM 0 HB1 ALA A 44 20.223 -13.858 -19.409 1.00 33.32 H new ATOM 0 HB2 ALA A 44 19.107 -14.094 -20.775 1.00 33.32 H new ATOM 0 HB3 ALA A 44 20.711 -14.865 -20.793 1.00 33.32 H new ATOM 615 N MET A 45 23.155 -13.083 -21.401 1.00 33.34 N ATOM 616 CA MET A 45 24.555 -12.813 -21.096 1.00 1.10 C ATOM 617 C MET A 45 24.924 -11.387 -21.519 1.00 23.10 C ATOM 618 O MET A 45 25.701 -10.724 -20.841 1.00 21.44 O ATOM 619 CB MET A 45 25.473 -13.809 -21.807 1.00 24.03 C ATOM 620 CG MET A 45 25.361 -15.245 -21.272 1.00 64.03 C ATOM 621 SD MET A 45 25.807 -15.390 -19.512 1.00 33.45 S ATOM 622 CE MET A 45 27.590 -15.075 -19.529 1.00 72.14 C ATOM 0 H MET A 45 23.005 -13.750 -22.158 1.00 33.34 H new ATOM 0 HA MET A 45 24.690 -12.920 -20.020 1.00 1.10 H new ATOM 0 HB2 MET A 45 25.239 -13.808 -22.872 1.00 24.03 H new ATOM 0 HB3 MET A 45 26.505 -13.473 -21.707 1.00 24.03 H new ATOM 0 HG2 MET A 45 24.340 -15.600 -21.412 1.00 64.03 H new ATOM 0 HG3 MET A 45 26.008 -15.896 -21.859 1.00 64.03 H new ATOM 0 HE1 MET A 45 28.001 -15.257 -18.536 1.00 72.14 H new ATOM 0 HE2 MET A 45 28.070 -15.739 -20.248 1.00 72.14 H new ATOM 0 HE3 MET A 45 27.774 -14.039 -19.813 1.00 72.14 H new ATOM 632 N ARG A 46 24.335 -10.889 -22.604 1.00 41.33 N ATOM 633 CA ARG A 46 24.578 -9.499 -23.020 1.00 62.24 C ATOM 634 C ARG A 46 23.970 -8.546 -22.003 1.00 63.23 C ATOM 635 O ARG A 46 24.500 -7.473 -21.772 1.00 4.03 O ATOM 636 CB ARG A 46 24.005 -9.199 -24.418 1.00 13.55 C ATOM 637 CG ARG A 46 24.732 -9.915 -25.551 1.00 21.02 C ATOM 638 CD ARG A 46 24.551 -9.198 -26.899 1.00 4.12 C ATOM 639 NE ARG A 46 23.189 -9.324 -27.468 1.00 12.05 N ATOM 640 CZ ARG A 46 22.329 -8.321 -27.660 1.00 24.12 C ATOM 641 NH1 ARG A 46 22.594 -7.082 -27.320 1.00 12.53 N ATOM 642 NH2 ARG A 46 21.177 -8.573 -28.222 1.00 63.41 N ATOM 0 H ARG A 46 23.697 -11.411 -23.205 1.00 41.33 H new ATOM 0 HA ARG A 46 25.658 -9.357 -23.071 1.00 62.24 H new ATOM 0 HB2 ARG A 46 22.953 -9.484 -24.437 1.00 13.55 H new ATOM 0 HB3 ARG A 46 24.048 -8.124 -24.594 1.00 13.55 H new ATOM 0 HG2 ARG A 46 25.794 -9.980 -25.315 1.00 21.02 H new ATOM 0 HG3 ARG A 46 24.360 -10.936 -25.631 1.00 21.02 H new ATOM 0 HD2 ARG A 46 24.784 -8.141 -26.771 1.00 4.12 H new ATOM 0 HD3 ARG A 46 25.271 -9.599 -27.612 1.00 4.12 H new ATOM 0 HE ARG A 46 22.881 -10.259 -27.737 1.00 12.05 H new ATOM 0 HH11 ARG A 46 23.489 -6.852 -26.889 1.00 12.53 H new ATOM 0 HH12 ARG A 46 21.905 -6.349 -27.487 1.00 12.53 H new ATOM 0 HH21 ARG A 46 20.946 -9.525 -28.507 1.00 63.41 H new ATOM 0 HH22 ARG A 46 20.509 -7.818 -28.376 1.00 63.41 H new ATOM 656 N LEU A 47 22.878 -8.962 -21.377 1.00 51.13 N ATOM 657 CA LEU A 47 22.232 -8.164 -20.340 1.00 53.10 C ATOM 658 C LEU A 47 23.181 -7.931 -19.176 1.00 34.50 C ATOM 659 O LEU A 47 23.276 -6.823 -18.672 1.00 64.50 O ATOM 660 CB LEU A 47 20.957 -8.851 -19.867 1.00 41.11 C ATOM 661 CG LEU A 47 20.121 -8.065 -18.854 1.00 62.51 C ATOM 662 CD1 LEU A 47 19.505 -6.783 -19.429 1.00 41.52 C ATOM 663 CD2 LEU A 47 19.047 -8.984 -18.364 1.00 33.54 C ATOM 0 H LEU A 47 22.418 -9.852 -21.569 1.00 51.13 H new ATOM 0 HA LEU A 47 21.967 -7.194 -20.760 1.00 53.10 H new ATOM 0 HB2 LEU A 47 20.336 -9.064 -20.737 1.00 41.11 H new ATOM 0 HB3 LEU A 47 21.225 -9.810 -19.424 1.00 41.11 H new ATOM 0 HG LEU A 47 20.774 -7.732 -18.047 1.00 62.51 H new ATOM 0 HD11 LEU A 47 18.927 -6.278 -18.655 1.00 41.52 H new ATOM 0 HD12 LEU A 47 20.299 -6.122 -19.778 1.00 41.52 H new ATOM 0 HD13 LEU A 47 18.851 -7.036 -20.264 1.00 41.52 H new ATOM 0 HD21 LEU A 47 18.425 -8.462 -17.637 1.00 33.54 H new ATOM 0 HD22 LEU A 47 18.431 -9.305 -19.204 1.00 33.54 H new ATOM 0 HD23 LEU A 47 19.501 -9.856 -17.893 1.00 33.54 H new ATOM 675 N ILE A 48 23.920 -8.960 -18.787 1.00 4.31 N ATOM 676 CA ILE A 48 24.856 -8.830 -17.674 1.00 3.43 C ATOM 677 C ILE A 48 25.916 -7.796 -18.036 1.00 43.14 C ATOM 678 O ILE A 48 26.227 -6.901 -17.251 1.00 2.21 O ATOM 679 CB ILE A 48 25.579 -10.178 -17.344 1.00 65.23 C ATOM 680 CG1 ILE A 48 24.547 -11.312 -17.154 1.00 0.54 C ATOM 681 CG2 ILE A 48 26.475 -10.001 -16.086 1.00 51.43 C ATOM 682 CD1 ILE A 48 25.147 -12.681 -16.845 1.00 71.53 C ATOM 0 H ILE A 48 23.893 -9.884 -19.218 1.00 4.31 H new ATOM 0 HA ILE A 48 24.283 -8.528 -16.798 1.00 3.43 H new ATOM 0 HB ILE A 48 26.220 -10.458 -18.180 1.00 65.23 H new ATOM 0 HG12 ILE A 48 23.871 -11.037 -16.345 1.00 0.54 H new ATOM 0 HG13 ILE A 48 23.945 -11.391 -18.059 1.00 0.54 H new ATOM 0 HG21 ILE A 48 26.976 -10.942 -15.861 1.00 51.43 H new ATOM 0 HG22 ILE A 48 27.221 -9.229 -16.276 1.00 51.43 H new ATOM 0 HG23 ILE A 48 25.857 -9.707 -15.238 1.00 51.43 H new ATOM 0 HD11 ILE A 48 24.346 -13.411 -16.728 1.00 71.53 H new ATOM 0 HD12 ILE A 48 25.800 -12.985 -17.663 1.00 71.53 H new ATOM 0 HD13 ILE A 48 25.724 -12.625 -15.922 1.00 71.53 H new ATOM 694 N ALA A 49 26.449 -7.912 -19.245 1.00 33.55 N ATOM 695 CA ALA A 49 27.484 -7.000 -19.711 1.00 73.21 C ATOM 696 C ALA A 49 27.017 -5.558 -19.715 1.00 71.22 C ATOM 697 O ALA A 49 27.685 -4.683 -19.193 1.00 61.32 O ATOM 698 CB ALA A 49 27.947 -7.420 -21.108 1.00 33.40 C ATOM 0 H ALA A 49 26.182 -8.628 -19.920 1.00 33.55 H new ATOM 0 HA ALA A 49 28.321 -7.059 -19.015 1.00 73.21 H new ATOM 0 HB1 ALA A 49 28.722 -6.736 -21.455 1.00 33.40 H new ATOM 0 HB2 ALA A 49 28.348 -8.433 -21.069 1.00 33.40 H new ATOM 0 HB3 ALA A 49 27.102 -7.390 -21.796 1.00 33.40 H new ATOM 704 N ARG A 50 25.839 -5.325 -20.285 1.00 54.41 N ATOM 705 CA ARG A 50 25.305 -3.982 -20.443 1.00 50.32 C ATOM 706 C ARG A 50 24.961 -3.347 -19.107 1.00 64.54 C ATOM 707 O ARG A 50 25.235 -2.185 -18.888 1.00 51.12 O ATOM 708 CB ARG A 50 24.066 -4.016 -21.316 1.00 32.11 C ATOM 709 CG ARG A 50 24.355 -4.327 -22.782 1.00 51.32 C ATOM 710 CD ARG A 50 24.263 -3.036 -23.619 1.00 11.13 C ATOM 711 NE ARG A 50 25.305 -2.087 -23.221 1.00 61.02 N ATOM 712 CZ ARG A 50 25.110 -0.806 -22.930 1.00 34.52 C ATOM 713 NH1 ARG A 50 23.932 -0.206 -22.988 1.00 60.31 N ATOM 714 NH2 ARG A 50 26.129 -0.107 -22.554 1.00 44.52 N ATOM 0 H ARG A 50 25.232 -6.060 -20.648 1.00 54.41 H new ATOM 0 HA ARG A 50 26.079 -3.378 -20.915 1.00 50.32 H new ATOM 0 HB2 ARG A 50 23.377 -4.764 -20.924 1.00 32.11 H new ATOM 0 HB3 ARG A 50 23.560 -3.052 -21.251 1.00 32.11 H new ATOM 0 HG2 ARG A 50 25.348 -4.765 -22.881 1.00 51.32 H new ATOM 0 HG3 ARG A 50 23.643 -5.064 -23.154 1.00 51.32 H new ATOM 0 HD2 ARG A 50 24.366 -3.275 -24.678 1.00 11.13 H new ATOM 0 HD3 ARG A 50 23.281 -2.581 -23.489 1.00 11.13 H new ATOM 0 HE ARG A 50 26.260 -2.439 -23.162 1.00 61.02 H new ATOM 0 HH11 ARG A 50 23.105 -0.732 -23.270 1.00 60.31 H new ATOM 0 HH12 ARG A 50 23.851 0.783 -22.751 1.00 60.31 H new ATOM 0 HH21 ARG A 50 27.049 -0.542 -22.488 1.00 44.52 H new ATOM 0 HH22 ARG A 50 26.013 0.880 -22.323 1.00 44.52 H new ATOM 728 N ILE A 51 24.390 -4.115 -18.195 1.00 54.03 N ATOM 729 CA ILE A 51 24.082 -3.586 -16.863 1.00 72.53 C ATOM 730 C ILE A 51 25.396 -3.213 -16.191 1.00 2.21 C ATOM 731 O ILE A 51 25.479 -2.177 -15.513 1.00 23.11 O ATOM 732 CB ILE A 51 23.295 -4.618 -16.002 1.00 63.03 C ATOM 733 CG1 ILE A 51 21.867 -4.809 -16.574 1.00 43.11 C ATOM 734 CG2 ILE A 51 23.186 -4.134 -14.553 1.00 31.30 C ATOM 735 CD1 ILE A 51 21.119 -6.002 -15.970 1.00 22.32 C ATOM 0 H ILE A 51 24.131 -5.091 -18.341 1.00 54.03 H new ATOM 0 HA ILE A 51 23.442 -2.709 -16.959 1.00 72.53 H new ATOM 0 HB ILE A 51 23.834 -5.565 -16.029 1.00 63.03 H new ATOM 0 HG12 ILE A 51 21.290 -3.902 -16.397 1.00 43.11 H new ATOM 0 HG13 ILE A 51 21.932 -4.940 -17.654 1.00 43.11 H new ATOM 0 HG21 ILE A 51 22.633 -4.867 -13.965 1.00 31.30 H new ATOM 0 HG22 ILE A 51 24.185 -4.012 -14.134 1.00 31.30 H new ATOM 0 HG23 ILE A 51 22.662 -3.178 -14.527 1.00 31.30 H new ATOM 0 HD11 ILE A 51 20.128 -6.074 -16.417 1.00 22.32 H new ATOM 0 HD12 ILE A 51 21.674 -6.918 -16.169 1.00 22.32 H new ATOM 0 HD13 ILE A 51 21.022 -5.863 -14.893 1.00 22.32 H new ATOM 747 N ARG A 52 26.442 -4.012 -16.369 1.00 2.34 N ATOM 748 CA ARG A 52 27.722 -3.675 -15.739 1.00 52.42 C ATOM 749 C ARG A 52 28.353 -2.439 -16.359 1.00 12.44 C ATOM 750 O ARG A 52 28.979 -1.661 -15.673 1.00 10.04 O ATOM 751 CB ARG A 52 28.679 -4.888 -15.829 1.00 14.34 C ATOM 752 CG ARG A 52 29.627 -5.040 -14.620 1.00 62.52 C ATOM 753 CD ARG A 52 30.763 -4.015 -14.624 1.00 3.13 C ATOM 754 NE ARG A 52 32.081 -4.667 -14.538 1.00 55.02 N ATOM 755 CZ ARG A 52 32.832 -5.005 -15.580 1.00 22.02 C ATOM 756 NH1 ARG A 52 32.463 -4.796 -16.821 1.00 3.15 N ATOM 757 NH2 ARG A 52 33.985 -5.569 -15.365 1.00 23.54 N ATOM 0 H ARG A 52 26.438 -4.869 -16.923 1.00 2.34 H new ATOM 0 HA ARG A 52 27.534 -3.441 -14.691 1.00 52.42 H new ATOM 0 HB2 ARG A 52 28.086 -5.797 -15.928 1.00 14.34 H new ATOM 0 HB3 ARG A 52 29.277 -4.798 -16.736 1.00 14.34 H new ATOM 0 HG2 ARG A 52 29.053 -4.936 -13.699 1.00 62.52 H new ATOM 0 HG3 ARG A 52 30.050 -6.044 -14.620 1.00 62.52 H new ATOM 0 HD2 ARG A 52 30.711 -3.417 -15.534 1.00 3.13 H new ATOM 0 HD3 ARG A 52 30.639 -3.331 -13.785 1.00 3.13 H new ATOM 0 HE ARG A 52 32.444 -4.875 -13.608 1.00 55.02 H new ATOM 0 HH11 ARG A 52 31.564 -4.356 -17.019 1.00 3.15 H new ATOM 0 HH12 ARG A 52 33.075 -5.073 -17.589 1.00 3.15 H new ATOM 0 HH21 ARG A 52 34.297 -5.744 -14.410 1.00 23.54 H new ATOM 0 HH22 ARG A 52 34.577 -5.836 -16.152 1.00 23.54 H new ATOM 771 N GLU A 53 28.179 -2.260 -17.655 1.00 42.21 N ATOM 772 CA GLU A 53 28.732 -1.089 -18.338 1.00 15.45 C ATOM 773 C GLU A 53 28.031 0.194 -17.878 1.00 3.41 C ATOM 774 O GLU A 53 28.672 1.217 -17.669 1.00 51.51 O ATOM 775 CB GLU A 53 28.557 -1.221 -19.862 1.00 12.23 C ATOM 776 CG GLU A 53 29.505 -2.219 -20.518 1.00 63.33 C ATOM 777 CD GLU A 53 29.198 -2.446 -21.996 1.00 52.55 C ATOM 778 OE1 GLU A 53 27.999 -2.477 -22.371 1.00 65.41 O ATOM 779 OE2 GLU A 53 30.151 -2.600 -22.784 1.00 41.00 O ATOM 0 H GLU A 53 27.664 -2.901 -18.259 1.00 42.21 H new ATOM 0 HA GLU A 53 29.792 -1.035 -18.089 1.00 15.45 H new ATOM 0 HB2 GLU A 53 27.530 -1.520 -20.074 1.00 12.23 H new ATOM 0 HB3 GLU A 53 28.705 -0.243 -20.319 1.00 12.23 H new ATOM 0 HG2 GLU A 53 30.529 -1.861 -20.416 1.00 63.33 H new ATOM 0 HG3 GLU A 53 29.446 -3.170 -19.989 1.00 63.33 H new ATOM 786 N GLU A 54 26.714 0.131 -17.756 1.00 35.54 N ATOM 787 CA GLU A 54 25.916 1.312 -17.446 1.00 22.21 C ATOM 788 C GLU A 54 25.828 1.636 -15.952 1.00 51.44 C ATOM 789 O GLU A 54 25.868 2.798 -15.552 1.00 13.44 O ATOM 790 CB GLU A 54 24.491 1.107 -17.997 1.00 2.43 C ATOM 791 CG GLU A 54 24.396 0.966 -19.519 1.00 3.33 C ATOM 792 CD GLU A 54 24.628 2.281 -20.262 1.00 12.13 C ATOM 793 OE1 GLU A 54 24.434 3.347 -19.664 1.00 54.21 O ATOM 794 OE2 GLU A 54 24.967 2.236 -21.480 1.00 50.22 O ATOM 0 H GLU A 54 26.172 -0.726 -17.867 1.00 35.54 H new ATOM 0 HA GLU A 54 26.419 2.158 -17.915 1.00 22.21 H new ATOM 0 HB2 GLU A 54 24.066 0.214 -17.538 1.00 2.43 H new ATOM 0 HB3 GLU A 54 23.874 1.950 -17.687 1.00 2.43 H new ATOM 0 HG2 GLU A 54 25.128 0.232 -19.856 1.00 3.33 H new ATOM 0 HG3 GLU A 54 23.412 0.577 -19.780 1.00 3.33 H new ATOM 801 N LEU A 55 25.673 0.613 -15.126 1.00 13.35 N ATOM 802 CA LEU A 55 25.444 0.808 -13.694 1.00 43.11 C ATOM 803 C LEU A 55 26.635 0.395 -12.829 1.00 14.20 C ATOM 804 O LEU A 55 26.651 0.661 -11.626 1.00 71.32 O ATOM 805 CB LEU A 55 24.206 0.006 -13.254 1.00 15.21 C ATOM 806 CG LEU A 55 22.834 0.695 -13.326 1.00 11.35 C ATOM 807 CD1 LEU A 55 22.688 1.738 -12.218 1.00 5.12 C ATOM 808 CD2 LEU A 55 22.551 1.349 -14.683 1.00 34.44 C ATOM 0 H LEU A 55 25.701 -0.364 -15.419 1.00 13.35 H new ATOM 0 HA LEU A 55 25.292 1.877 -13.547 1.00 43.11 H new ATOM 0 HB2 LEU A 55 24.159 -0.896 -13.864 1.00 15.21 H new ATOM 0 HB3 LEU A 55 24.365 -0.314 -12.224 1.00 15.21 H new ATOM 0 HG LEU A 55 22.099 -0.098 -13.190 1.00 11.35 H new ATOM 0 HD11 LEU A 55 21.709 2.211 -12.291 1.00 5.12 H new ATOM 0 HD12 LEU A 55 22.786 1.253 -11.247 1.00 5.12 H new ATOM 0 HD13 LEU A 55 23.465 2.494 -12.326 1.00 5.12 H new ATOM 0 HD21 LEU A 55 21.566 1.816 -14.663 1.00 34.44 H new ATOM 0 HD22 LEU A 55 23.308 2.106 -14.887 1.00 34.44 H new ATOM 0 HD23 LEU A 55 22.577 0.590 -15.465 1.00 34.44 H new ATOM 820 N GLY A 56 27.610 -0.283 -13.414 1.00 10.31 N ATOM 821 CA GLY A 56 28.787 -0.698 -12.659 1.00 14.21 C ATOM 822 C GLY A 56 28.544 -1.872 -11.724 1.00 21.40 C ATOM 823 O GLY A 56 29.318 -2.105 -10.798 1.00 23.43 O ATOM 0 H GLY A 56 27.613 -0.556 -14.397 1.00 10.31 H new ATOM 0 HA2 GLY A 56 29.579 -0.963 -13.359 1.00 14.21 H new ATOM 0 HA3 GLY A 56 29.148 0.149 -12.075 1.00 14.21 H new ATOM 827 N VAL A 57 27.455 -2.608 -11.944 1.00 23.03 N ATOM 828 CA VAL A 57 27.083 -3.716 -11.064 1.00 64.20 C ATOM 829 C VAL A 57 27.116 -5.060 -11.791 1.00 22.24 C ATOM 830 O VAL A 57 26.648 -5.182 -12.926 1.00 54.51 O ATOM 831 CB VAL A 57 25.645 -3.517 -10.440 1.00 60.42 C ATOM 832 CG1 VAL A 57 25.643 -2.252 -9.552 1.00 31.44 C ATOM 833 CG2 VAL A 57 24.578 -3.404 -11.495 1.00 20.12 C ATOM 0 H VAL A 57 26.815 -2.457 -12.724 1.00 23.03 H new ATOM 0 HA VAL A 57 27.825 -3.721 -10.266 1.00 64.20 H new ATOM 0 HB VAL A 57 25.416 -4.398 -9.841 1.00 60.42 H new ATOM 0 HG11 VAL A 57 24.652 -2.112 -9.120 1.00 31.44 H new ATOM 0 HG12 VAL A 57 26.374 -2.368 -8.752 1.00 31.44 H new ATOM 0 HG13 VAL A 57 25.901 -1.383 -10.157 1.00 31.44 H new ATOM 0 HG21 VAL A 57 23.607 -3.268 -11.018 1.00 20.12 H new ATOM 0 HG22 VAL A 57 24.790 -2.548 -12.136 1.00 20.12 H new ATOM 0 HG23 VAL A 57 24.563 -4.313 -12.096 1.00 20.12 H new ATOM 843 N ASP A 58 27.662 -6.066 -11.132 1.00 2.32 N ATOM 844 CA ASP A 58 27.694 -7.413 -11.692 1.00 45.43 C ATOM 845 C ASP A 58 26.471 -8.183 -11.211 1.00 63.42 C ATOM 846 O ASP A 58 25.985 -7.967 -10.095 1.00 64.41 O ATOM 847 CB ASP A 58 28.946 -8.164 -11.243 1.00 3.22 C ATOM 848 CG ASP A 58 29.021 -9.558 -11.836 1.00 52.32 C ATOM 849 OD1 ASP A 58 28.730 -9.700 -13.044 1.00 41.05 O ATOM 850 OD2 ASP A 58 29.290 -10.518 -11.087 1.00 22.11 O ATOM 0 H ASP A 58 28.090 -5.980 -10.210 1.00 2.32 H new ATOM 0 HA ASP A 58 27.700 -7.332 -12.779 1.00 45.43 H new ATOM 0 HB2 ASP A 58 29.831 -7.599 -11.535 1.00 3.22 H new ATOM 0 HB3 ASP A 58 28.956 -8.233 -10.155 1.00 3.22 H new ATOM 855 N LEU A 59 25.993 -9.093 -12.045 1.00 34.41 N ATOM 856 CA LEU A 59 24.849 -9.937 -11.721 1.00 3.34 C ATOM 857 C LEU A 59 25.110 -11.326 -12.288 1.00 2.02 C ATOM 858 O LEU A 59 25.077 -11.514 -13.504 1.00 33.44 O ATOM 859 CB LEU A 59 23.576 -9.361 -12.350 1.00 2.41 C ATOM 860 CG LEU A 59 22.897 -8.231 -11.561 1.00 75.31 C ATOM 861 CD1 LEU A 59 21.928 -7.499 -12.469 1.00 40.42 C ATOM 862 CD2 LEU A 59 22.160 -8.794 -10.335 1.00 70.35 C ATOM 0 H LEU A 59 26.387 -9.269 -12.969 1.00 34.41 H new ATOM 0 HA LEU A 59 24.714 -9.983 -10.640 1.00 3.34 H new ATOM 0 HB2 LEU A 59 23.820 -8.989 -13.345 1.00 2.41 H new ATOM 0 HB3 LEU A 59 22.858 -10.171 -12.480 1.00 2.41 H new ATOM 0 HG LEU A 59 23.658 -7.535 -11.207 1.00 75.31 H new ATOM 0 HD11 LEU A 59 21.444 -6.696 -11.913 1.00 40.42 H new ATOM 0 HD12 LEU A 59 22.470 -7.078 -13.316 1.00 40.42 H new ATOM 0 HD13 LEU A 59 21.172 -8.196 -12.832 1.00 40.42 H new ATOM 0 HD21 LEU A 59 21.686 -7.978 -9.789 1.00 70.35 H new ATOM 0 HD22 LEU A 59 21.399 -9.503 -10.662 1.00 70.35 H new ATOM 0 HD23 LEU A 59 22.872 -9.301 -9.683 1.00 70.35 H new ATOM 874 N PRO A 60 25.376 -12.325 -11.428 1.00 51.03 N ATOM 875 CA PRO A 60 25.604 -13.624 -12.066 1.00 34.43 C ATOM 876 C PRO A 60 24.324 -14.168 -12.693 1.00 13.51 C ATOM 877 O PRO A 60 23.221 -13.934 -12.191 1.00 20.14 O ATOM 878 CB PRO A 60 26.089 -14.499 -10.904 1.00 61.21 C ATOM 879 CG PRO A 60 25.457 -13.898 -9.703 1.00 11.34 C ATOM 880 CD PRO A 60 25.494 -12.409 -9.960 1.00 64.31 C ATOM 0 HA PRO A 60 26.318 -13.581 -12.889 1.00 34.43 H new ATOM 0 HB2 PRO A 60 25.786 -15.538 -11.035 1.00 61.21 H new ATOM 0 HB3 PRO A 60 27.176 -14.491 -10.827 1.00 61.21 H new ATOM 0 HG2 PRO A 60 24.435 -14.253 -9.573 1.00 11.34 H new ATOM 0 HG3 PRO A 60 26.002 -14.158 -8.796 1.00 11.34 H new ATOM 0 HD2 PRO A 60 24.676 -11.892 -9.459 1.00 64.31 H new ATOM 0 HD3 PRO A 60 26.421 -11.960 -9.603 1.00 64.31 H new ATOM 888 N ILE A 61 24.474 -14.923 -13.775 1.00 31.41 N ATOM 889 CA ILE A 61 23.331 -15.499 -14.498 1.00 4.52 C ATOM 890 C ILE A 61 22.493 -16.394 -13.573 1.00 61.00 C ATOM 891 O ILE A 61 21.295 -16.570 -13.767 1.00 71.05 O ATOM 892 CB ILE A 61 23.833 -16.287 -15.770 1.00 43.03 C ATOM 893 CG1 ILE A 61 22.677 -16.577 -16.748 1.00 13.34 C ATOM 894 CG2 ILE A 61 24.536 -17.612 -15.376 1.00 31.41 C ATOM 895 CD1 ILE A 61 22.192 -15.365 -17.539 1.00 35.25 C ATOM 0 H ILE A 61 25.381 -15.156 -14.179 1.00 31.41 H new ATOM 0 HA ILE A 61 22.685 -14.689 -14.836 1.00 4.52 H new ATOM 0 HB ILE A 61 24.558 -15.646 -16.272 1.00 43.03 H new ATOM 0 HG12 ILE A 61 22.997 -17.347 -17.450 1.00 13.34 H new ATOM 0 HG13 ILE A 61 21.838 -16.987 -16.186 1.00 13.34 H new ATOM 0 HG21 ILE A 61 24.869 -18.129 -16.276 1.00 31.41 H new ATOM 0 HG22 ILE A 61 25.397 -17.393 -14.744 1.00 31.41 H new ATOM 0 HG23 ILE A 61 23.837 -18.246 -14.831 1.00 31.41 H new ATOM 0 HD11 ILE A 61 21.379 -15.664 -18.200 1.00 35.25 H new ATOM 0 HD12 ILE A 61 21.837 -14.599 -16.850 1.00 35.25 H new ATOM 0 HD13 ILE A 61 23.014 -14.965 -18.133 1.00 35.25 H new ATOM 907 N ARG A 62 23.119 -16.881 -12.511 1.00 32.23 N ATOM 908 CA ARG A 62 22.439 -17.701 -11.512 1.00 33.43 C ATOM 909 C ARG A 62 21.301 -16.942 -10.845 1.00 54.21 C ATOM 910 O ARG A 62 20.247 -17.498 -10.588 1.00 0.10 O ATOM 911 CB ARG A 62 23.445 -18.149 -10.448 1.00 11.11 C ATOM 912 CG ARG A 62 24.610 -18.964 -10.998 1.00 54.14 C ATOM 913 CD ARG A 62 24.502 -20.422 -10.602 1.00 54.30 C ATOM 914 NE ARG A 62 25.654 -21.193 -11.098 1.00 25.24 N ATOM 915 CZ ARG A 62 26.813 -21.342 -10.458 1.00 11.01 C ATOM 916 NH1 ARG A 62 27.053 -20.800 -9.289 1.00 75.41 N ATOM 917 NH2 ARG A 62 27.751 -22.050 -11.011 1.00 12.31 N ATOM 0 H ARG A 62 24.107 -16.721 -12.316 1.00 32.23 H new ATOM 0 HA ARG A 62 22.016 -18.568 -12.019 1.00 33.43 H new ATOM 0 HB2 ARG A 62 23.839 -17.268 -9.942 1.00 11.11 H new ATOM 0 HB3 ARG A 62 22.923 -18.742 -9.697 1.00 11.11 H new ATOM 0 HG2 ARG A 62 24.632 -18.882 -12.085 1.00 54.14 H new ATOM 0 HG3 ARG A 62 25.550 -18.554 -10.628 1.00 54.14 H new ATOM 0 HD2 ARG A 62 24.446 -20.504 -9.517 1.00 54.30 H new ATOM 0 HD3 ARG A 62 23.579 -20.843 -11.002 1.00 54.30 H new ATOM 0 HE ARG A 62 25.557 -21.650 -12.005 1.00 25.24 H new ATOM 0 HH11 ARG A 62 26.337 -20.236 -8.831 1.00 75.41 H new ATOM 0 HH12 ARG A 62 27.956 -20.942 -8.837 1.00 75.41 H new ATOM 0 HH21 ARG A 62 27.594 -22.482 -11.922 1.00 12.31 H new ATOM 0 HH22 ARG A 62 28.644 -22.174 -10.535 1.00 12.31 H new ATOM 931 N GLN A 63 21.520 -15.664 -10.580 1.00 73.31 N ATOM 932 CA GLN A 63 20.511 -14.835 -9.934 1.00 54.04 C ATOM 933 C GLN A 63 19.456 -14.390 -10.930 1.00 73.03 C ATOM 934 O GLN A 63 18.312 -14.177 -10.566 1.00 74.21 O ATOM 935 CB GLN A 63 21.169 -13.613 -9.291 1.00 12.22 C ATOM 936 CG GLN A 63 21.097 -13.621 -7.764 1.00 23.51 C ATOM 937 CD GLN A 63 21.663 -14.891 -7.160 1.00 22.03 C ATOM 938 OE1 GLN A 63 20.938 -15.701 -6.617 1.00 25.31 O ATOM 939 NE2 GLN A 63 22.956 -15.069 -7.262 1.00 21.32 N ATOM 0 H GLN A 63 22.388 -15.176 -10.802 1.00 73.31 H new ATOM 0 HA GLN A 63 20.025 -15.430 -9.161 1.00 54.04 H new ATOM 0 HB2 GLN A 63 22.214 -13.568 -9.598 1.00 12.22 H new ATOM 0 HB3 GLN A 63 20.687 -12.710 -9.666 1.00 12.22 H new ATOM 0 HG2 GLN A 63 21.644 -12.763 -7.374 1.00 23.51 H new ATOM 0 HG3 GLN A 63 20.059 -13.506 -7.452 1.00 23.51 H new ATOM 0 HE21 GLN A 63 23.533 -14.366 -7.725 1.00 21.32 H new ATOM 0 HE22 GLN A 63 23.387 -15.910 -6.878 1.00 21.32 H new ATOM 948 N LEU A 64 19.838 -14.282 -12.195 1.00 33.11 N ATOM 949 CA LEU A 64 18.893 -13.900 -13.245 1.00 2.34 C ATOM 950 C LEU A 64 17.820 -14.968 -13.430 1.00 10.10 C ATOM 951 O LEU A 64 16.672 -14.648 -13.677 1.00 22.11 O ATOM 952 CB LEU A 64 19.629 -13.630 -14.563 1.00 34.11 C ATOM 953 CG LEU A 64 19.876 -12.130 -14.830 1.00 54.21 C ATOM 954 CD1 LEU A 64 20.926 -11.953 -15.920 1.00 4.51 C ATOM 955 CD2 LEU A 64 18.573 -11.422 -15.239 1.00 11.34 C ATOM 0 H LEU A 64 20.789 -14.452 -12.522 1.00 33.11 H new ATOM 0 HA LEU A 64 18.398 -12.979 -12.936 1.00 2.34 H new ATOM 0 HB2 LEU A 64 20.586 -14.152 -14.550 1.00 34.11 H new ATOM 0 HB3 LEU A 64 19.050 -14.048 -15.386 1.00 34.11 H new ATOM 0 HG LEU A 64 20.239 -11.678 -13.907 1.00 54.21 H new ATOM 0 HD11 LEU A 64 21.090 -10.890 -16.098 1.00 4.51 H new ATOM 0 HD12 LEU A 64 21.860 -12.417 -15.604 1.00 4.51 H new ATOM 0 HD13 LEU A 64 20.580 -12.425 -16.839 1.00 4.51 H new ATOM 0 HD21 LEU A 64 18.774 -10.366 -15.421 1.00 11.34 H new ATOM 0 HD22 LEU A 64 18.180 -11.879 -16.147 1.00 11.34 H new ATOM 0 HD23 LEU A 64 17.840 -11.518 -14.438 1.00 11.34 H new ATOM 967 N PHE A 65 18.176 -16.236 -13.261 1.00 51.41 N ATOM 968 CA PHE A 65 17.178 -17.307 -13.330 1.00 62.34 C ATOM 969 C PHE A 65 16.123 -17.141 -12.233 1.00 34.40 C ATOM 970 O PHE A 65 14.949 -17.432 -12.429 1.00 51.23 O ATOM 971 CB PHE A 65 17.830 -18.686 -13.169 1.00 65.20 C ATOM 972 CG PHE A 65 18.911 -18.984 -14.176 1.00 41.32 C ATOM 973 CD1 PHE A 65 18.721 -18.728 -15.552 1.00 4.42 C ATOM 974 CD2 PHE A 65 20.129 -19.545 -13.749 1.00 12.20 C ATOM 975 CE1 PHE A 65 19.739 -19.028 -16.490 1.00 41.21 C ATOM 976 CE2 PHE A 65 21.152 -19.855 -14.682 1.00 52.02 C ATOM 977 CZ PHE A 65 20.957 -19.593 -16.052 1.00 14.02 C ATOM 0 H PHE A 65 19.130 -16.549 -13.078 1.00 51.41 H new ATOM 0 HA PHE A 65 16.707 -17.239 -14.311 1.00 62.34 H new ATOM 0 HB2 PHE A 65 18.253 -18.760 -12.167 1.00 65.20 H new ATOM 0 HB3 PHE A 65 17.057 -19.451 -13.246 1.00 65.20 H new ATOM 0 HD1 PHE A 65 17.790 -18.299 -15.892 1.00 4.42 H new ATOM 0 HD2 PHE A 65 20.287 -19.742 -12.699 1.00 12.20 H new ATOM 0 HE1 PHE A 65 19.584 -18.825 -17.539 1.00 41.21 H new ATOM 0 HE2 PHE A 65 22.079 -20.292 -14.342 1.00 52.02 H new ATOM 0 HZ PHE A 65 21.735 -19.823 -16.764 1.00 14.02 H new ATOM 987 N SER A 66 16.561 -16.659 -11.079 1.00 11.01 N ATOM 988 CA SER A 66 15.683 -16.443 -9.923 1.00 73.23 C ATOM 989 C SER A 66 14.973 -15.094 -9.996 1.00 35.53 C ATOM 990 O SER A 66 14.155 -14.759 -9.140 1.00 61.12 O ATOM 991 CB SER A 66 16.523 -16.483 -8.648 1.00 40.21 C ATOM 992 OG SER A 66 17.315 -17.662 -8.620 1.00 3.32 O ATOM 0 H SER A 66 17.534 -16.404 -10.911 1.00 11.01 H new ATOM 0 HA SER A 66 14.928 -17.229 -9.922 1.00 73.23 H new ATOM 0 HB2 SER A 66 17.165 -15.603 -8.599 1.00 40.21 H new ATOM 0 HB3 SER A 66 15.873 -16.452 -7.774 1.00 40.21 H new ATOM 0 HG SER A 66 17.851 -17.677 -7.800 1.00 3.32 H new ATOM 998 N SER A 67 15.336 -14.296 -10.986 1.00 54.31 N ATOM 999 CA SER A 67 14.795 -12.951 -11.162 1.00 74.52 C ATOM 1000 C SER A 67 14.726 -12.585 -12.642 1.00 12.43 C ATOM 1001 O SER A 67 15.480 -11.735 -13.107 1.00 14.04 O ATOM 1002 CB SER A 67 15.683 -11.955 -10.431 1.00 65.40 C ATOM 1003 OG SER A 67 15.616 -12.175 -9.030 1.00 21.41 O ATOM 0 H SER A 67 16.018 -14.561 -11.697 1.00 54.31 H new ATOM 0 HA SER A 67 13.785 -12.921 -10.752 1.00 74.52 H new ATOM 0 HB2 SER A 67 16.713 -12.055 -10.773 1.00 65.40 H new ATOM 0 HB3 SER A 67 15.368 -10.938 -10.662 1.00 65.40 H new ATOM 0 HG SER A 67 16.192 -11.530 -8.570 1.00 21.41 H new ATOM 1009 N PRO A 68 13.838 -13.242 -13.413 1.00 65.32 N ATOM 1010 CA PRO A 68 13.828 -12.956 -14.853 1.00 5.54 C ATOM 1011 C PRO A 68 13.182 -11.625 -15.232 1.00 0.32 C ATOM 1012 O PRO A 68 13.362 -11.153 -16.348 1.00 50.21 O ATOM 1013 CB PRO A 68 13.032 -14.123 -15.422 1.00 70.44 C ATOM 1014 CG PRO A 68 12.064 -14.456 -14.353 1.00 61.44 C ATOM 1015 CD PRO A 68 12.857 -14.292 -13.072 1.00 71.45 C ATOM 0 HA PRO A 68 14.842 -12.859 -15.241 1.00 5.54 H new ATOM 0 HB2 PRO A 68 12.525 -13.847 -16.347 1.00 70.44 H new ATOM 0 HB3 PRO A 68 13.677 -14.970 -15.653 1.00 70.44 H new ATOM 0 HG2 PRO A 68 11.201 -13.791 -14.375 1.00 61.44 H new ATOM 0 HG3 PRO A 68 11.686 -15.473 -14.460 1.00 61.44 H new ATOM 0 HD2 PRO A 68 12.220 -13.993 -12.240 1.00 71.45 H new ATOM 0 HD3 PRO A 68 13.347 -15.221 -12.780 1.00 71.45 H new ATOM 1023 N THR A 69 12.415 -11.029 -14.330 1.00 22.05 N ATOM 1024 CA THR A 69 11.755 -9.756 -14.607 1.00 13.52 C ATOM 1025 C THR A 69 12.638 -8.622 -14.112 1.00 12.33 C ATOM 1026 O THR A 69 13.371 -8.809 -13.131 1.00 21.55 O ATOM 1027 CB THR A 69 10.408 -9.644 -13.851 1.00 4.43 C ATOM 1028 OG1 THR A 69 10.625 -9.682 -12.436 1.00 42.54 O ATOM 1029 CG2 THR A 69 9.481 -10.775 -14.198 1.00 15.12 C ATOM 0 H THR A 69 12.233 -11.405 -13.399 1.00 22.05 H new ATOM 0 HA THR A 69 11.580 -9.699 -15.681 1.00 13.52 H new ATOM 0 HB THR A 69 9.958 -8.697 -14.150 1.00 4.43 H new ATOM 0 HG1 THR A 69 9.797 -9.438 -11.971 1.00 42.54 H new ATOM 0 HG21 THR A 69 8.547 -10.662 -13.648 1.00 15.12 H new ATOM 0 HG22 THR A 69 9.276 -10.762 -15.268 1.00 15.12 H new ATOM 0 HG23 THR A 69 9.947 -11.723 -13.930 1.00 15.12 H new ATOM 1037 N PRO A 70 12.541 -7.416 -14.717 1.00 51.21 N ATOM 1038 CA PRO A 70 13.286 -6.294 -14.138 1.00 62.13 C ATOM 1039 C PRO A 70 13.114 -6.107 -12.667 1.00 32.23 C ATOM 1040 O PRO A 70 14.066 -5.815 -11.935 1.00 23.13 O ATOM 1041 CB PRO A 70 12.631 -5.091 -14.786 1.00 54.35 C ATOM 1042 CG PRO A 70 12.285 -5.552 -16.131 1.00 40.35 C ATOM 1043 CD PRO A 70 11.768 -6.968 -15.895 1.00 3.43 C ATOM 0 HA PRO A 70 14.352 -6.449 -14.302 1.00 62.13 H new ATOM 0 HB2 PRO A 70 11.746 -4.774 -14.234 1.00 54.35 H new ATOM 0 HB3 PRO A 70 13.309 -4.238 -14.819 1.00 54.35 H new ATOM 0 HG2 PRO A 70 11.527 -4.918 -16.591 1.00 40.35 H new ATOM 0 HG3 PRO A 70 13.150 -5.545 -16.794 1.00 40.35 H new ATOM 0 HD2 PRO A 70 10.695 -6.978 -15.701 1.00 3.43 H new ATOM 0 HD3 PRO A 70 11.942 -7.610 -16.759 1.00 3.43 H new ATOM 1051 N ALA A 71 11.875 -6.187 -12.224 1.00 50.23 N ATOM 1052 CA ALA A 71 11.589 -5.800 -10.884 1.00 75.11 C ATOM 1053 C ALA A 71 12.254 -6.795 -9.912 1.00 53.02 C ATOM 1054 O ALA A 71 12.571 -6.470 -8.760 1.00 43.41 O ATOM 1055 CB ALA A 71 10.060 -5.716 -10.668 1.00 65.13 C ATOM 0 H ALA A 71 11.076 -6.511 -12.769 1.00 50.23 H new ATOM 0 HA ALA A 71 11.998 -4.809 -10.688 1.00 75.11 H new ATOM 0 HB1 ALA A 71 9.854 -5.419 -9.640 1.00 65.13 H new ATOM 0 HB2 ALA A 71 9.636 -4.979 -11.350 1.00 65.13 H new ATOM 0 HB3 ALA A 71 9.611 -6.690 -10.861 1.00 65.13 H new ATOM 1061 N GLY A 72 12.503 -7.999 -10.412 1.00 21.24 N ATOM 1062 CA GLY A 72 13.204 -9.017 -9.653 1.00 24.15 C ATOM 1063 C GLY A 72 14.699 -8.760 -9.571 1.00 1.22 C ATOM 1064 O GLY A 72 15.291 -8.854 -8.497 1.00 35.02 O ATOM 0 H GLY A 72 12.225 -8.292 -11.349 1.00 21.24 H new ATOM 0 HA2 GLY A 72 12.791 -9.062 -8.645 1.00 24.15 H new ATOM 0 HA3 GLY A 72 13.031 -9.990 -10.112 1.00 24.15 H new ATOM 1068 N VAL A 73 15.342 -8.421 -10.676 1.00 61.42 N ATOM 1069 CA VAL A 73 16.787 -8.204 -10.633 1.00 43.25 C ATOM 1070 C VAL A 73 17.126 -6.982 -9.772 1.00 52.13 C ATOM 1071 O VAL A 73 18.138 -6.984 -9.073 1.00 13.01 O ATOM 1072 CB VAL A 73 17.453 -8.056 -12.042 1.00 32.53 C ATOM 1073 CG1 VAL A 73 18.592 -9.065 -12.178 1.00 75.21 C ATOM 1074 CG2 VAL A 73 16.455 -8.287 -13.170 1.00 24.42 C ATOM 0 H VAL A 73 14.907 -8.292 -11.590 1.00 61.42 H new ATOM 0 HA VAL A 73 17.202 -9.107 -10.186 1.00 43.25 H new ATOM 0 HB VAL A 73 17.830 -7.036 -12.122 1.00 32.53 H new ATOM 0 HG11 VAL A 73 19.055 -8.961 -13.159 1.00 75.21 H new ATOM 0 HG12 VAL A 73 19.337 -8.880 -11.404 1.00 75.21 H new ATOM 0 HG13 VAL A 73 18.198 -10.075 -12.068 1.00 75.21 H new ATOM 0 HG21 VAL A 73 16.959 -8.175 -14.130 1.00 24.42 H new ATOM 0 HG22 VAL A 73 16.044 -9.293 -13.091 1.00 24.42 H new ATOM 0 HG23 VAL A 73 15.648 -7.558 -13.096 1.00 24.42 H new ATOM 1084 N ALA A 74 16.265 -5.968 -9.773 1.00 13.25 N ATOM 1085 CA ALA A 74 16.513 -4.800 -8.938 1.00 53.14 C ATOM 1086 C ALA A 74 16.435 -5.072 -7.444 1.00 64.22 C ATOM 1087 O ALA A 74 17.231 -4.549 -6.674 1.00 12.33 O ATOM 1088 CB ALA A 74 15.506 -3.733 -9.292 1.00 10.31 C ATOM 0 H ALA A 74 15.410 -5.931 -10.328 1.00 13.25 H new ATOM 0 HA ALA A 74 17.537 -4.485 -9.139 1.00 53.14 H new ATOM 0 HB1 ALA A 74 15.678 -2.851 -8.675 1.00 10.31 H new ATOM 0 HB2 ALA A 74 15.613 -3.467 -10.344 1.00 10.31 H new ATOM 0 HB3 ALA A 74 14.499 -4.110 -9.113 1.00 10.31 H new ATOM 1094 N ARG A 75 15.500 -5.915 -7.018 1.00 31.24 N ATOM 1095 CA ARG A 75 15.393 -6.229 -5.592 1.00 70.15 C ATOM 1096 C ARG A 75 16.557 -7.130 -5.208 1.00 3.01 C ATOM 1097 O ARG A 75 17.089 -7.006 -4.118 1.00 52.03 O ATOM 1098 CB ARG A 75 14.010 -6.807 -5.217 1.00 21.12 C ATOM 1099 CG ARG A 75 13.700 -8.201 -5.730 1.00 3.53 C ATOM 1100 CD ARG A 75 12.242 -8.572 -5.553 1.00 60.33 C ATOM 1101 NE ARG A 75 11.391 -7.902 -6.579 1.00 50.42 N ATOM 1102 CZ ARG A 75 10.096 -8.132 -6.787 1.00 3.13 C ATOM 1103 NH1 ARG A 75 9.440 -8.990 -6.048 1.00 24.13 N ATOM 1104 NH2 ARG A 75 9.463 -7.508 -7.742 1.00 74.13 N ATOM 0 H ARG A 75 14.821 -6.383 -7.618 1.00 31.24 H new ATOM 0 HA ARG A 75 15.462 -5.311 -5.008 1.00 70.15 H new ATOM 0 HB2 ARG A 75 13.927 -6.817 -4.130 1.00 21.12 H new ATOM 0 HB3 ARG A 75 13.243 -6.128 -5.589 1.00 21.12 H new ATOM 0 HG2 ARG A 75 13.962 -8.263 -6.786 1.00 3.53 H new ATOM 0 HG3 ARG A 75 14.322 -8.925 -5.204 1.00 3.53 H new ATOM 0 HD2 ARG A 75 12.126 -9.653 -5.629 1.00 60.33 H new ATOM 0 HD3 ARG A 75 11.909 -8.285 -4.556 1.00 60.33 H new ATOM 0 HE ARG A 75 11.841 -7.206 -7.174 1.00 50.42 H new ATOM 0 HH11 ARG A 75 9.921 -9.492 -5.302 1.00 24.13 H new ATOM 0 HH12 ARG A 75 8.448 -9.156 -6.218 1.00 24.13 H new ATOM 0 HH21 ARG A 75 9.960 -6.841 -8.333 1.00 74.13 H new ATOM 0 HH22 ARG A 75 8.471 -7.687 -7.898 1.00 74.13 H new ATOM 1118 N ALA A 76 17.008 -7.957 -6.142 1.00 71.04 N ATOM 1119 CA ALA A 76 18.188 -8.794 -5.934 1.00 30.21 C ATOM 1120 C ALA A 76 19.464 -7.922 -5.800 1.00 53.31 C ATOM 1121 O ALA A 76 20.317 -8.205 -4.957 1.00 13.14 O ATOM 1122 CB ALA A 76 18.327 -9.794 -7.091 1.00 21.43 C ATOM 0 H ALA A 76 16.573 -8.068 -7.058 1.00 71.04 H new ATOM 0 HA ALA A 76 18.067 -9.350 -5.004 1.00 30.21 H new ATOM 0 HB1 ALA A 76 19.208 -10.415 -6.931 1.00 21.43 H new ATOM 0 HB2 ALA A 76 17.440 -10.426 -7.134 1.00 21.43 H new ATOM 0 HB3 ALA A 76 18.432 -9.251 -8.030 1.00 21.43 H new ATOM 1128 N LEU A 77 19.560 -6.840 -6.579 1.00 74.01 N ATOM 1129 CA LEU A 77 20.699 -5.904 -6.481 1.00 2.35 C ATOM 1130 C LEU A 77 20.739 -5.326 -5.053 1.00 70.31 C ATOM 1131 O LEU A 77 21.782 -5.273 -4.412 1.00 15.53 O ATOM 1132 CB LEU A 77 20.558 -4.732 -7.493 1.00 1.31 C ATOM 1133 CG LEU A 77 21.039 -4.957 -8.939 1.00 63.40 C ATOM 1134 CD1 LEU A 77 20.591 -3.844 -9.836 1.00 35.52 C ATOM 1135 CD2 LEU A 77 22.569 -5.074 -8.967 1.00 24.52 C ATOM 0 H LEU A 77 18.868 -6.586 -7.284 1.00 74.01 H new ATOM 0 HA LEU A 77 21.616 -6.447 -6.711 1.00 2.35 H new ATOM 0 HB2 LEU A 77 19.506 -4.451 -7.532 1.00 1.31 H new ATOM 0 HB3 LEU A 77 21.102 -3.877 -7.090 1.00 1.31 H new ATOM 0 HG LEU A 77 20.599 -5.884 -9.306 1.00 63.40 H new ATOM 0 HD11 LEU A 77 20.945 -4.029 -10.850 1.00 35.52 H new ATOM 0 HD12 LEU A 77 19.502 -3.792 -9.835 1.00 35.52 H new ATOM 0 HD13 LEU A 77 21.000 -2.900 -9.476 1.00 35.52 H new ATOM 0 HD21 LEU A 77 22.903 -5.233 -9.992 1.00 24.52 H new ATOM 0 HD22 LEU A 77 23.011 -4.156 -8.580 1.00 24.52 H new ATOM 0 HD23 LEU A 77 22.881 -5.916 -8.349 1.00 24.52 H new ATOM 1147 N ALA A 78 19.577 -4.888 -4.567 1.00 43.21 N ATOM 1148 CA ALA A 78 19.476 -4.302 -3.236 1.00 20.01 C ATOM 1149 C ALA A 78 19.808 -5.336 -2.153 1.00 74.23 C ATOM 1150 O ALA A 78 20.449 -5.014 -1.157 1.00 13.22 O ATOM 1151 CB ALA A 78 18.075 -3.731 -3.024 1.00 40.34 C ATOM 0 H ALA A 78 18.695 -4.929 -5.077 1.00 43.21 H new ATOM 0 HA ALA A 78 20.203 -3.493 -3.158 1.00 20.01 H new ATOM 0 HB1 ALA A 78 18.007 -3.295 -2.027 1.00 40.34 H new ATOM 0 HB2 ALA A 78 17.879 -2.962 -3.771 1.00 40.34 H new ATOM 0 HB3 ALA A 78 17.338 -4.528 -3.122 1.00 40.34 H new ATOM 1157 N ALA A 79 19.387 -6.577 -2.360 1.00 15.24 N ATOM 1158 CA ALA A 79 19.635 -7.638 -1.390 1.00 41.21 C ATOM 1159 C ALA A 79 21.135 -7.897 -1.249 1.00 1.32 C ATOM 1160 O ALA A 79 21.634 -8.053 -0.138 1.00 31.50 O ATOM 1161 CB ALA A 79 18.902 -8.919 -1.811 1.00 15.52 C ATOM 0 H ALA A 79 18.873 -6.874 -3.189 1.00 15.24 H new ATOM 0 HA ALA A 79 19.253 -7.321 -0.420 1.00 41.21 H new ATOM 0 HB1 ALA A 79 19.094 -9.705 -1.080 1.00 15.52 H new ATOM 0 HB2 ALA A 79 17.831 -8.725 -1.863 1.00 15.52 H new ATOM 0 HB3 ALA A 79 19.260 -9.238 -2.790 1.00 15.52 H new ATOM 1167 N LYS A 80 21.864 -7.921 -2.359 1.00 21.22 N ATOM 1168 CA LYS A 80 23.311 -8.136 -2.281 1.00 3.54 C ATOM 1169 C LYS A 80 23.981 -6.935 -1.632 1.00 34.41 C ATOM 1170 O LYS A 80 24.924 -7.086 -0.874 1.00 41.15 O ATOM 1171 CB LYS A 80 23.933 -8.371 -3.664 1.00 51.15 C ATOM 1172 CG LYS A 80 24.853 -9.620 -3.752 1.00 14.11 C ATOM 1173 CD LYS A 80 25.971 -9.688 -2.668 1.00 51.13 C ATOM 1174 CE LYS A 80 27.014 -8.575 -2.778 1.00 51.40 C ATOM 1175 NZ LYS A 80 27.917 -8.603 -1.575 1.00 24.23 N ATOM 0 H LYS A 80 21.494 -7.798 -3.301 1.00 21.22 H new ATOM 0 HA LYS A 80 23.473 -9.030 -1.679 1.00 3.54 H new ATOM 0 HB2 LYS A 80 23.132 -8.473 -4.396 1.00 51.15 H new ATOM 0 HB3 LYS A 80 24.510 -7.490 -3.944 1.00 51.15 H new ATOM 0 HG2 LYS A 80 24.235 -10.515 -3.673 1.00 14.11 H new ATOM 0 HG3 LYS A 80 25.320 -9.641 -4.737 1.00 14.11 H new ATOM 0 HD2 LYS A 80 25.509 -9.643 -1.682 1.00 51.13 H new ATOM 0 HD3 LYS A 80 26.475 -10.652 -2.740 1.00 51.13 H new ATOM 0 HE2 LYS A 80 27.601 -8.702 -3.688 1.00 51.40 H new ATOM 0 HE3 LYS A 80 26.519 -7.606 -2.851 1.00 51.40 H new ATOM 0 HZ1 LYS A 80 28.722 -7.963 -1.730 1.00 24.23 H new ATOM 0 HZ2 LYS A 80 27.386 -8.295 -0.735 1.00 24.23 H new ATOM 0 HZ3 LYS A 80 28.268 -9.571 -1.427 1.00 24.23 H new ATOM 1189 N SER A 81 23.490 -5.743 -1.928 1.00 11.02 N ATOM 1190 CA SER A 81 24.072 -4.519 -1.374 1.00 62.43 C ATOM 1191 C SER A 81 23.926 -4.462 0.146 1.00 4.34 C ATOM 1192 O SER A 81 24.675 -3.760 0.817 1.00 61.23 O ATOM 1193 CB SER A 81 23.406 -3.290 -1.989 1.00 15.35 C ATOM 1194 OG SER A 81 24.055 -2.101 -1.570 1.00 22.51 O ATOM 0 H SER A 81 22.693 -5.591 -2.546 1.00 11.02 H new ATOM 0 HA SER A 81 25.134 -4.526 -1.618 1.00 62.43 H new ATOM 0 HB2 SER A 81 23.435 -3.361 -3.076 1.00 15.35 H new ATOM 0 HB3 SER A 81 22.356 -3.257 -1.700 1.00 15.35 H new ATOM 0 HG SER A 81 23.613 -1.326 -1.977 1.00 22.51 H new ATOM 1200 N ALA A 82 22.960 -5.193 0.681 1.00 53.31 N ATOM 1201 CA ALA A 82 22.701 -5.206 2.116 1.00 71.45 C ATOM 1202 C ALA A 82 23.635 -6.153 2.891 1.00 42.22 C ATOM 1203 O ALA A 82 23.524 -6.256 4.111 1.00 54.02 O ATOM 1204 CB ALA A 82 21.237 -5.601 2.361 1.00 43.31 C ATOM 0 H ALA A 82 22.336 -5.791 0.139 1.00 53.31 H new ATOM 0 HA ALA A 82 22.897 -4.201 2.490 1.00 71.45 H new ATOM 0 HB1 ALA A 82 21.038 -5.612 3.433 1.00 43.31 H new ATOM 0 HB2 ALA A 82 20.579 -4.879 1.877 1.00 43.31 H new ATOM 0 HB3 ALA A 82 21.054 -6.593 1.947 1.00 43.31 H new ATOM 1210 N SER A 83 24.528 -6.863 2.207 1.00 54.32 N ATOM 1211 CA SER A 83 25.406 -7.817 2.887 1.00 43.50 C ATOM 1212 C SER A 83 26.797 -7.913 2.278 1.00 63.20 C ATOM 1213 O SER A 83 26.986 -7.817 1.067 1.00 23.42 O ATOM 1214 CB SER A 83 24.767 -9.207 2.877 1.00 43.34 C ATOM 1215 OG SER A 83 25.531 -10.125 3.646 1.00 43.44 O ATOM 0 H SER A 83 24.664 -6.800 1.198 1.00 54.32 H new ATOM 0 HA SER A 83 25.526 -7.443 3.904 1.00 43.50 H new ATOM 0 HB2 SER A 83 23.754 -9.148 3.275 1.00 43.34 H new ATOM 0 HB3 SER A 83 24.686 -9.566 1.851 1.00 43.34 H new ATOM 0 HG SER A 83 25.102 -11.006 3.626 1.00 43.44 H new ATOM 1221 N TRP A 84 27.774 -8.164 3.135 1.00 42.44 N ATOM 1222 CA TRP A 84 29.150 -8.382 2.706 1.00 61.23 C ATOM 1223 C TRP A 84 29.266 -9.778 2.092 1.00 21.23 C ATOM 1224 O TRP A 84 30.168 -10.055 1.300 1.00 53.21 O ATOM 1225 CB TRP A 84 30.089 -8.268 3.915 1.00 43.31 C ATOM 1226 CG TRP A 84 29.796 -9.294 4.985 1.00 42.54 C ATOM 1227 CD1 TRP A 84 30.407 -10.493 5.165 1.00 64.13 C ATOM 1228 CD2 TRP A 84 28.797 -9.218 6.026 1.00 14.31 C ATOM 1229 NE1 TRP A 84 29.878 -11.178 6.217 1.00 74.33 N ATOM 1230 CE2 TRP A 84 28.875 -10.433 6.772 1.00 51.25 C ATOM 1231 CE3 TRP A 84 27.840 -8.252 6.404 1.00 63.02 C ATOM 1232 CZ2 TRP A 84 28.026 -10.706 7.864 1.00 71.54 C ATOM 1233 CZ3 TRP A 84 26.982 -8.523 7.501 1.00 44.41 C ATOM 1234 CH2 TRP A 84 27.088 -9.752 8.218 1.00 5.03 C ATOM 0 H TRP A 84 27.638 -8.223 4.144 1.00 42.44 H new ATOM 0 HA TRP A 84 29.429 -7.632 1.966 1.00 61.23 H new ATOM 0 HB2 TRP A 84 31.120 -8.384 3.580 1.00 43.31 H new ATOM 0 HB3 TRP A 84 30.003 -7.269 4.343 1.00 43.31 H new ATOM 0 HD1 TRP A 84 31.215 -10.859 4.549 1.00 64.13 H new ATOM 0 HE1 TRP A 84 30.181 -12.097 6.538 1.00 74.33 H new ATOM 0 HE3 TRP A 84 27.762 -7.319 5.865 1.00 63.02 H new ATOM 0 HZ2 TRP A 84 28.106 -11.635 8.410 1.00 71.54 H new ATOM 0 HZ3 TRP A 84 26.243 -7.793 7.796 1.00 44.41 H new ATOM 0 HH2 TRP A 84 26.426 -9.941 9.050 1.00 5.03 H new ATOM 1245 N SER A 85 28.351 -10.660 2.474 1.00 5.30 N ATOM 1246 CA SER A 85 28.381 -12.039 2.011 1.00 54.05 C ATOM 1247 C SER A 85 27.824 -12.132 0.598 1.00 61.12 C ATOM 1248 O SER A 85 26.819 -11.502 0.262 1.00 44.12 O ATOM 1249 CB SER A 85 27.567 -12.933 2.942 1.00 5.13 C ATOM 1250 OG SER A 85 27.711 -14.290 2.570 1.00 44.40 O ATOM 0 H SER A 85 27.579 -10.443 3.104 1.00 5.30 H new ATOM 0 HA SER A 85 29.417 -12.378 2.011 1.00 54.05 H new ATOM 0 HB2 SER A 85 27.897 -12.794 3.971 1.00 5.13 H new ATOM 0 HB3 SER A 85 26.516 -12.648 2.904 1.00 5.13 H new ATOM 0 HG SER A 85 27.185 -14.853 3.176 1.00 44.40 H new ATOM 1256 N HIS A 86 28.520 -12.871 -0.246 1.00 65.54 N ATOM 1257 CA HIS A 86 28.072 -13.116 -1.611 1.00 4.42 C ATOM 1258 C HIS A 86 27.216 -14.386 -1.651 1.00 22.24 C ATOM 1259 O HIS A 86 27.412 -15.283 -0.839 1.00 50.04 O ATOM 1260 CB HIS A 86 29.281 -13.171 -2.541 1.00 64.21 C ATOM 1261 CG HIS A 86 29.945 -11.838 -2.706 1.00 34.34 C ATOM 1262 ND1 HIS A 86 30.794 -11.269 -1.784 1.00 1.20 N ATOM 1263 CD2 HIS A 86 29.846 -10.918 -3.706 1.00 23.03 C ATOM 1264 CE1 HIS A 86 31.160 -10.075 -2.236 1.00 32.33 C ATOM 1265 NE2 HIS A 86 30.603 -9.804 -3.399 1.00 31.42 N ATOM 0 H HIS A 86 29.406 -13.317 -0.010 1.00 65.54 H new ATOM 0 HA HIS A 86 27.440 -12.301 -1.963 1.00 4.42 H new ATOM 0 HB2 HIS A 86 30.004 -13.886 -2.148 1.00 64.21 H new ATOM 0 HB3 HIS A 86 28.967 -13.539 -3.518 1.00 64.21 H new ATOM 0 HD2 HIS A 86 29.262 -11.041 -4.606 1.00 23.03 H new ATOM 0 HE1 HIS A 86 31.831 -9.409 -1.715 1.00 32.33 H new ATOM 0 HE2 HIS A 86 30.708 -8.954 -3.953 1.00 31.42 H new ATOM 1273 N PRO A 87 26.241 -14.468 -2.575 1.00 32.51 N ATOM 1274 CA PRO A 87 25.362 -15.646 -2.588 1.00 12.21 C ATOM 1275 C PRO A 87 25.972 -16.904 -3.254 1.00 33.23 C ATOM 1276 O PRO A 87 25.339 -17.948 -3.298 1.00 54.15 O ATOM 1277 CB PRO A 87 24.173 -15.156 -3.412 1.00 53.30 C ATOM 1278 CG PRO A 87 24.781 -14.235 -4.397 1.00 41.31 C ATOM 1279 CD PRO A 87 25.840 -13.500 -3.612 1.00 53.15 C ATOM 0 HA PRO A 87 25.137 -15.973 -1.573 1.00 12.21 H new ATOM 0 HB2 PRO A 87 23.658 -15.982 -3.902 1.00 53.30 H new ATOM 0 HB3 PRO A 87 23.438 -14.647 -2.789 1.00 53.30 H new ATOM 0 HG2 PRO A 87 25.213 -14.779 -5.237 1.00 41.31 H new ATOM 0 HG3 PRO A 87 24.042 -13.548 -4.809 1.00 41.31 H new ATOM 0 HD2 PRO A 87 26.682 -13.217 -4.243 1.00 53.15 H new ATOM 0 HD3 PRO A 87 25.449 -12.582 -3.173 1.00 53.15 H new ATOM 1287 N GLN A 88 27.183 -16.769 -3.786 1.00 70.32 N ATOM 1288 CA GLN A 88 27.859 -17.864 -4.442 1.00 70.31 C ATOM 1289 C GLN A 88 28.908 -18.431 -3.517 1.00 64.51 C ATOM 1290 O GLN A 88 29.402 -17.734 -2.657 1.00 73.41 O ATOM 1291 CB GLN A 88 28.564 -17.353 -5.736 1.00 0.53 C ATOM 1292 CG GLN A 88 27.712 -16.630 -6.731 1.00 14.14 C ATOM 1293 CD GLN A 88 27.413 -17.432 -7.983 1.00 42.42 C ATOM 1294 OE1 GLN A 88 26.256 -17.750 -8.261 1.00 61.24 O ATOM 1295 NE2 GLN A 88 28.420 -17.756 -8.733 1.00 55.54 N ATOM 0 H GLN A 88 27.714 -15.899 -3.771 1.00 70.32 H new ATOM 0 HA GLN A 88 27.127 -18.630 -4.698 1.00 70.31 H new ATOM 0 HB2 GLN A 88 29.377 -16.690 -5.440 1.00 0.53 H new ATOM 0 HB3 GLN A 88 29.017 -18.209 -6.236 1.00 0.53 H new ATOM 0 HG2 GLN A 88 26.771 -16.353 -6.256 1.00 14.14 H new ATOM 0 HG3 GLN A 88 28.210 -15.703 -7.016 1.00 14.14 H new ATOM 0 HE21 GLN A 88 29.364 -17.474 -8.469 1.00 55.54 H new ATOM 0 HE22 GLN A 88 28.268 -18.293 -9.587 1.00 55.54 H new ATOM 1304 N PHE A 89 29.306 -19.672 -3.786 1.00 70.12 N ATOM 1305 CA PHE A 89 30.477 -20.257 -3.138 1.00 4.50 C ATOM 1306 C PHE A 89 31.691 -19.931 -3.980 1.00 34.03 C ATOM 1307 O PHE A 89 32.816 -19.863 -3.483 1.00 41.02 O ATOM 1308 CB PHE A 89 30.286 -21.777 -2.987 1.00 23.24 C ATOM 1309 CG PHE A 89 29.209 -22.132 -2.013 1.00 5.42 C ATOM 1310 CD1 PHE A 89 29.487 -22.171 -0.629 1.00 62.33 C ATOM 1311 CD2 PHE A 89 27.910 -22.455 -2.460 1.00 63.42 C ATOM 1312 CE1 PHE A 89 28.475 -22.525 0.297 1.00 52.33 C ATOM 1313 CE2 PHE A 89 26.896 -22.810 -1.541 1.00 62.22 C ATOM 1314 CZ PHE A 89 27.181 -22.833 -0.157 1.00 4.12 C ATOM 0 H PHE A 89 28.836 -20.291 -4.447 1.00 70.12 H new ATOM 0 HA PHE A 89 30.614 -19.845 -2.138 1.00 4.50 H new ATOM 0 HB2 PHE A 89 30.046 -22.207 -3.960 1.00 23.24 H new ATOM 0 HB3 PHE A 89 31.225 -22.226 -2.663 1.00 23.24 H new ATOM 0 HD1 PHE A 89 30.478 -21.929 -0.274 1.00 62.33 H new ATOM 0 HD2 PHE A 89 27.688 -22.431 -3.517 1.00 63.42 H new ATOM 0 HE1 PHE A 89 28.698 -22.558 1.353 1.00 52.33 H new ATOM 0 HE2 PHE A 89 25.908 -23.063 -1.895 1.00 62.22 H new ATOM 0 HZ PHE A 89 26.406 -23.087 0.551 1.00 4.12 H new ATOM 1324 N GLU A 90 31.469 -19.765 -5.276 1.00 74.01 N ATOM 1325 CA GLU A 90 32.536 -19.425 -6.208 1.00 42.00 C ATOM 1326 C GLU A 90 32.873 -17.941 -6.109 1.00 75.21 C ATOM 1327 O GLU A 90 32.066 -17.143 -5.629 1.00 41.21 O ATOM 1328 CB GLU A 90 32.107 -19.736 -7.643 1.00 41.43 C ATOM 1329 CG GLU A 90 31.690 -21.181 -7.859 1.00 73.33 C ATOM 1330 CD GLU A 90 30.216 -21.296 -8.182 1.00 53.13 C ATOM 1331 OE1 GLU A 90 29.369 -20.855 -7.362 1.00 14.51 O ATOM 1332 OE2 GLU A 90 29.887 -21.778 -9.283 1.00 60.42 O ATOM 0 H GLU A 90 30.551 -19.861 -5.710 1.00 74.01 H new ATOM 0 HA GLU A 90 33.413 -20.019 -5.949 1.00 42.00 H new ATOM 0 HB2 GLU A 90 31.277 -19.084 -7.913 1.00 41.43 H new ATOM 0 HB3 GLU A 90 32.930 -19.500 -8.318 1.00 41.43 H new ATOM 0 HG2 GLU A 90 32.275 -21.611 -8.672 1.00 73.33 H new ATOM 0 HG3 GLU A 90 31.913 -21.762 -6.964 1.00 73.33 H new ATOM 1339 N LYS A 91 34.052 -17.582 -6.593 1.00 1.21 N ATOM 1340 CA LYS A 91 34.525 -16.206 -6.598 1.00 3.03 C ATOM 1341 C LYS A 91 35.320 -16.070 -7.880 1.00 1.43 C ATOM 1342 O LYS A 91 35.392 -14.974 -8.463 1.00 23.42 O ATOM 1343 CB LYS A 91 35.426 -15.972 -5.386 1.00 14.03 C ATOM 1344 CG LYS A 91 35.894 -14.525 -5.219 1.00 21.34 C ATOM 1345 CD LYS A 91 37.409 -14.454 -5.036 1.00 34.04 C ATOM 1346 CE LYS A 91 37.854 -15.119 -3.730 1.00 65.32 C ATOM 1347 NZ LYS A 91 39.343 -15.056 -3.583 1.00 41.23 N ATOM 0 H LYS A 91 34.714 -18.244 -6.997 1.00 1.21 H new ATOM 0 HA LYS A 91 33.712 -15.482 -6.547 1.00 3.03 H new ATOM 0 HB2 LYS A 91 34.890 -16.274 -4.486 1.00 14.03 H new ATOM 0 HB3 LYS A 91 36.301 -16.617 -5.468 1.00 14.03 H new ATOM 0 HG2 LYS A 91 35.603 -13.942 -6.093 1.00 21.34 H new ATOM 0 HG3 LYS A 91 35.399 -14.077 -4.357 1.00 21.34 H new ATOM 0 HD2 LYS A 91 37.900 -14.941 -5.878 1.00 34.04 H new ATOM 0 HD3 LYS A 91 37.728 -13.412 -5.040 1.00 34.04 H new ATOM 0 HE2 LYS A 91 37.379 -14.623 -2.884 1.00 65.32 H new ATOM 0 HE3 LYS A 91 37.526 -16.158 -3.715 1.00 65.32 H new ATOM 0 HZ1 LYS A 91 39.623 -15.512 -2.691 1.00 41.23 H new ATOM 0 HZ2 LYS A 91 39.792 -15.550 -4.381 1.00 41.23 H new ATOM 0 HZ3 LYS A 91 39.649 -14.062 -3.575 1.00 41.23 H new TER 1361 LYS A 91