USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 721 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 25 GLN : amide:sc=-0.00889 X(o=-1.1,f=-1.5) USER MOD Set 1.2: A 27 ASN :FLIP amide:sc= -1.12 X(o=-1.5,f=-1.1) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -1.6 USER MOD Set 2.3: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.015 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.11 X(o=0.11,f=0) USER MOD Single : A 11 CYS SG : rot -150:sc= -0.761 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 37:sc= 0.187 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 33 SER OG : rot 67:sc= 0.414 USER MOD Single : A 34 ASN :FLIP amide:sc= 0.249 F(o=-2.7!,f=0.25) USER MOD Single : A 36 THR OG1 : rot -170:sc= 0.0114 USER MOD Single : A 39 THR OG1 : rot -17:sc= 0.523 USER MOD Single : A 41 TYR OH : rot 80:sc= -0.462 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 169:sc= 0 (180deg=-0.147) USER MOD Single : A 53 GLN : amide:sc= -0.303 K(o=-0.3,f=-2.1!) USER MOD Single : A 55 CYS SG : rot -150:sc= -0.976 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -2 USER MOD Single : A 62 SER OG : rot 31:sc= 0.0631 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.922 USER MOD Single : A 72 THR OG1 : rot 63:sc= 0.0888 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 130:sc= 0.612 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0295 USER MOD Single : A 76 CYS SG : rot 16:sc= -0.324 USER MOD Single : A 79 GLN :FLIP amide:sc= -2.95! C(o=-4!,f=-3!) USER MOD Single : A 82 SER OG : rot 15:sc= 0.715 USER MOD Single : A 90 SER OG : rot -81:sc= 0.136 USER MOD Single : A 95 CYS SG : rot 16:sc= 0.621 USER MOD Single : A 97 THR OG1 : rot 148:sc= 1.17 USER MOD Single : A 100 SER OG : rot 180:sc=-0.000129 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.649 -31.037 3.106 1.00 0.00 N ATOM 2 CA GLY A 1 -18.404 -30.443 1.805 1.00 0.00 C ATOM 3 C GLY A 1 -18.163 -28.949 1.885 1.00 0.00 C ATOM 4 O GLY A 1 -18.742 -28.264 2.729 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.469 -31.675 3.048 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.811 -31.576 3.405 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.843 -30.286 3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.539 -30.923 1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.257 -30.636 1.155 1.00 0.00 H new ATOM 8 N SER A 2 -17.304 -28.441 1.007 1.00 0.00 N ATOM 9 CA SER A 2 -16.984 -27.019 0.985 1.00 0.00 C ATOM 10 C SER A 2 -17.001 -26.479 -0.442 1.00 0.00 C ATOM 11 O SER A 2 -16.544 -27.141 -1.373 1.00 0.00 O ATOM 12 CB SER A 2 -15.613 -26.774 1.619 1.00 0.00 C ATOM 13 OG SER A 2 -15.633 -27.059 3.006 1.00 0.00 O ATOM 0 H SER A 2 -16.817 -28.994 0.301 1.00 0.00 H new ATOM 0 HA SER A 2 -17.744 -26.492 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.865 -27.397 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.317 -25.737 1.462 1.00 0.00 H new ATOM 0 HG SER A 2 -14.745 -26.896 3.386 1.00 0.00 H new ATOM 19 N SER A 3 -17.534 -25.272 -0.605 1.00 0.00 N ATOM 20 CA SER A 3 -17.615 -24.643 -1.917 1.00 0.00 C ATOM 21 C SER A 3 -16.767 -23.377 -1.967 1.00 0.00 C ATOM 22 O SER A 3 -15.921 -23.216 -2.847 1.00 0.00 O ATOM 23 CB SER A 3 -19.070 -24.311 -2.257 1.00 0.00 C ATOM 24 OG SER A 3 -19.855 -25.486 -2.341 1.00 0.00 O ATOM 0 H SER A 3 -17.916 -24.711 0.156 1.00 0.00 H new ATOM 0 HA SER A 3 -17.228 -25.346 -2.654 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.482 -23.648 -1.496 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.112 -23.774 -3.204 1.00 0.00 H new ATOM 0 HG SER A 3 -20.780 -25.246 -2.558 1.00 0.00 H new ATOM 30 N GLY A 4 -16.999 -22.478 -1.015 1.00 0.00 N ATOM 31 CA GLY A 4 -16.249 -21.236 -0.968 1.00 0.00 C ATOM 32 C GLY A 4 -15.922 -20.811 0.450 1.00 0.00 C ATOM 33 O GLY A 4 -16.680 -21.089 1.379 1.00 0.00 O ATOM 0 H GLY A 4 -17.693 -22.588 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.324 -21.352 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.824 -20.449 -1.457 1.00 0.00 H new ATOM 37 N SER A 5 -14.789 -20.136 0.618 1.00 0.00 N ATOM 38 CA SER A 5 -14.360 -19.676 1.933 1.00 0.00 C ATOM 39 C SER A 5 -14.766 -18.223 2.159 1.00 0.00 C ATOM 40 O SER A 5 -14.499 -17.355 1.328 1.00 0.00 O ATOM 41 CB SER A 5 -12.845 -19.823 2.079 1.00 0.00 C ATOM 42 OG SER A 5 -12.365 -19.078 3.185 1.00 0.00 O ATOM 0 H SER A 5 -14.151 -19.896 -0.141 1.00 0.00 H new ATOM 0 HA SER A 5 -14.851 -20.293 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.589 -20.875 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.354 -19.484 1.167 1.00 0.00 H new ATOM 0 HG SER A 5 -11.394 -19.190 3.258 1.00 0.00 H new ATOM 48 N SER A 6 -15.415 -17.965 3.290 1.00 0.00 N ATOM 49 CA SER A 6 -15.862 -16.619 3.626 1.00 0.00 C ATOM 50 C SER A 6 -14.682 -15.654 3.691 1.00 0.00 C ATOM 51 O SER A 6 -13.944 -15.624 4.675 1.00 0.00 O ATOM 52 CB SER A 6 -16.606 -16.624 4.963 1.00 0.00 C ATOM 53 OG SER A 6 -16.866 -15.303 5.407 1.00 0.00 O ATOM 0 H SER A 6 -15.643 -18.671 3.990 1.00 0.00 H new ATOM 0 HA SER A 6 -16.541 -16.283 2.842 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.545 -17.167 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.014 -17.152 5.710 1.00 0.00 H new ATOM 0 HG SER A 6 -17.343 -15.333 6.262 1.00 0.00 H new ATOM 59 N GLY A 7 -14.510 -14.867 2.634 1.00 0.00 N ATOM 60 CA GLY A 7 -13.418 -13.913 2.590 1.00 0.00 C ATOM 61 C GLY A 7 -12.312 -14.340 1.644 1.00 0.00 C ATOM 62 O GLY A 7 -12.027 -15.526 1.484 1.00 0.00 O ATOM 0 H GLY A 7 -15.107 -14.873 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.801 -12.941 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.007 -13.789 3.592 1.00 0.00 H new ATOM 66 N PRO A 8 -11.668 -13.357 0.999 1.00 0.00 N ATOM 67 CA PRO A 8 -10.577 -13.613 0.053 1.00 0.00 C ATOM 68 C PRO A 8 -9.316 -14.117 0.745 1.00 0.00 C ATOM 69 O PRO A 8 -9.338 -14.454 1.929 1.00 0.00 O ATOM 70 CB PRO A 8 -10.328 -12.242 -0.581 1.00 0.00 C ATOM 71 CG PRO A 8 -10.798 -11.262 0.439 1.00 0.00 C ATOM 72 CD PRO A 8 -11.954 -11.920 1.142 1.00 0.00 C ATOM 0 HA PRO A 8 -10.836 -14.390 -0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.272 -12.098 -0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.876 -12.133 -1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.001 -11.018 1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.107 -10.328 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.008 -11.624 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.907 -11.653 0.685 1.00 0.00 H new ATOM 80 N ASP A 9 -8.218 -14.167 0.000 1.00 0.00 N ATOM 81 CA ASP A 9 -6.946 -14.630 0.543 1.00 0.00 C ATOM 82 C ASP A 9 -6.030 -13.452 0.862 1.00 0.00 C ATOM 83 O ASP A 9 -6.228 -12.347 0.358 1.00 0.00 O ATOM 84 CB ASP A 9 -6.257 -15.573 -0.446 1.00 0.00 C ATOM 85 CG ASP A 9 -6.822 -16.979 -0.393 1.00 0.00 C ATOM 86 OD1 ASP A 9 -6.496 -17.714 0.562 1.00 0.00 O ATOM 87 OD2 ASP A 9 -7.591 -17.343 -1.307 1.00 0.00 O ATOM 0 H ASP A 9 -8.183 -13.893 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.150 -15.170 1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.366 -15.178 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.189 -15.605 -0.230 1.00 0.00 H new ATOM 92 N GLN A 10 -5.030 -13.696 1.702 1.00 0.00 N ATOM 93 CA GLN A 10 -4.086 -12.655 2.089 1.00 0.00 C ATOM 94 C GLN A 10 -3.640 -11.846 0.876 1.00 0.00 C ATOM 95 O GLN A 10 -3.512 -12.381 -0.226 1.00 0.00 O ATOM 96 CB GLN A 10 -2.870 -13.271 2.781 1.00 0.00 C ATOM 97 CG GLN A 10 -1.921 -12.242 3.376 1.00 0.00 C ATOM 98 CD GLN A 10 -0.495 -12.747 3.467 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.217 -13.741 4.139 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.420 -12.063 2.790 1.00 0.00 N ATOM 0 H GLN A 10 -4.853 -14.606 2.128 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.590 -11.984 2.785 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.212 -13.938 3.573 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.325 -13.883 2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.944 -11.338 2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.269 -11.966 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.146 -11.245 2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.397 -12.356 2.814 1.00 0.00 H new ATOM 109 N CYS A 11 -3.406 -10.555 1.085 1.00 0.00 N ATOM 110 CA CYS A 11 -2.975 -9.672 0.008 1.00 0.00 C ATOM 111 C CYS A 11 -1.453 -9.637 -0.091 1.00 0.00 C ATOM 112 O CYS A 11 -0.752 -9.718 0.918 1.00 0.00 O ATOM 113 CB CYS A 11 -3.516 -8.259 0.231 1.00 0.00 C ATOM 114 SG CYS A 11 -5.281 -8.080 -0.119 1.00 0.00 S ATOM 0 H CYS A 11 -3.508 -10.097 1.991 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.373 -10.062 -0.929 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.331 -7.970 1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.959 -7.565 -0.399 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.523 -6.868 -0.521 1.00 0.00 H new ATOM 120 N LYS A 12 -0.947 -9.517 -1.314 1.00 0.00 N ATOM 121 CA LYS A 12 0.491 -9.472 -1.547 1.00 0.00 C ATOM 122 C LYS A 12 1.029 -8.057 -1.356 1.00 0.00 C ATOM 123 O LYS A 12 0.317 -7.068 -1.529 1.00 0.00 O ATOM 124 CB LYS A 12 0.816 -9.966 -2.958 1.00 0.00 C ATOM 125 CG LYS A 12 0.549 -11.447 -3.159 1.00 0.00 C ATOM 126 CD LYS A 12 1.621 -12.302 -2.504 1.00 0.00 C ATOM 127 CE LYS A 12 1.553 -13.745 -2.979 1.00 0.00 C ATOM 128 NZ LYS A 12 2.676 -14.560 -2.441 1.00 0.00 N ATOM 0 H LYS A 12 -1.513 -9.449 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 12 0.972 -10.126 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.227 -9.398 -3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.865 -9.762 -3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.425 -11.702 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.507 -11.668 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.604 -11.890 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.503 -12.269 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.605 -14.185 -2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.576 -13.770 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.593 -15.537 -2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.581 -14.156 -2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.640 -14.558 -1.402 1.00 0.00 H new ATOM 142 N PRO A 13 2.316 -7.956 -0.992 1.00 0.00 N ATOM 143 CA PRO A 13 2.978 -6.666 -0.773 1.00 0.00 C ATOM 144 C PRO A 13 3.182 -5.891 -2.070 1.00 0.00 C ATOM 145 O PRO A 13 3.634 -6.432 -3.080 1.00 0.00 O ATOM 146 CB PRO A 13 4.327 -7.059 -0.166 1.00 0.00 C ATOM 147 CG PRO A 13 4.576 -8.442 -0.659 1.00 0.00 C ATOM 148 CD PRO A 13 3.224 -9.093 -0.768 1.00 0.00 C ATOM 0 HA PRO A 13 2.386 -6.006 -0.139 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.117 -6.378 -0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.295 -7.027 0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.081 -8.427 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.219 -8.991 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.186 -9.806 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.967 -9.640 0.139 1.00 0.00 H new ATOM 156 N PRO A 14 2.843 -4.594 -2.044 1.00 0.00 N ATOM 157 CA PRO A 14 2.983 -3.717 -3.211 1.00 0.00 C ATOM 158 C PRO A 14 4.442 -3.430 -3.551 1.00 0.00 C ATOM 159 O PRO A 14 5.331 -3.633 -2.724 1.00 0.00 O ATOM 160 CB PRO A 14 2.273 -2.432 -2.775 1.00 0.00 C ATOM 161 CG PRO A 14 2.358 -2.438 -1.288 1.00 0.00 C ATOM 162 CD PRO A 14 2.299 -3.883 -0.876 1.00 0.00 C ATOM 0 HA PRO A 14 2.566 -4.168 -4.111 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.757 -1.550 -3.196 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.237 -2.418 -3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.283 -1.973 -0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.537 -1.873 -0.848 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.891 -4.070 0.020 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.279 -4.196 -0.654 1.00 0.00 H new ATOM 170 N GLN A 15 4.678 -2.958 -4.770 1.00 0.00 N ATOM 171 CA GLN A 15 6.030 -2.644 -5.217 1.00 0.00 C ATOM 172 C GLN A 15 6.294 -1.144 -5.145 1.00 0.00 C ATOM 173 O GLN A 15 5.686 -0.361 -5.875 1.00 0.00 O ATOM 174 CB GLN A 15 6.245 -3.143 -6.648 1.00 0.00 C ATOM 175 CG GLN A 15 7.702 -3.423 -6.982 1.00 0.00 C ATOM 176 CD GLN A 15 7.863 -4.518 -8.018 1.00 0.00 C ATOM 177 OE1 GLN A 15 7.392 -4.393 -9.148 1.00 0.00 O ATOM 178 NE2 GLN A 15 8.533 -5.599 -7.636 1.00 0.00 N ATOM 0 H GLN A 15 3.952 -2.785 -5.465 1.00 0.00 H new ATOM 0 HA GLN A 15 6.731 -3.150 -4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.665 -4.054 -6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.857 -2.400 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.169 -2.509 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.231 -3.708 -6.073 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.906 -5.659 -6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.675 -6.369 -8.290 1.00 0.00 H new ATOM 187 N VAL A 16 7.202 -0.750 -4.258 1.00 0.00 N ATOM 188 CA VAL A 16 7.546 0.657 -4.090 1.00 0.00 C ATOM 189 C VAL A 16 8.623 1.082 -5.082 1.00 0.00 C ATOM 190 O VAL A 16 9.559 0.331 -5.359 1.00 0.00 O ATOM 191 CB VAL A 16 8.038 0.948 -2.660 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.868 0.976 -1.688 1.00 0.00 C ATOM 193 CG2 VAL A 16 9.071 -0.083 -2.232 1.00 0.00 C ATOM 0 H VAL A 16 7.713 -1.385 -3.645 1.00 0.00 H new ATOM 0 HA VAL A 16 6.637 1.229 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 16 8.512 1.930 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.235 1.183 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.166 1.755 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.363 0.010 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.408 0.138 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.625 -1.077 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.922 -0.050 -2.912 1.00 0.00 H new ATOM 203 N THR A 17 8.487 2.292 -5.614 1.00 0.00 N ATOM 204 CA THR A 17 9.446 2.818 -6.576 1.00 0.00 C ATOM 205 C THR A 17 9.827 4.255 -6.244 1.00 0.00 C ATOM 206 O THR A 17 9.174 5.200 -6.691 1.00 0.00 O ATOM 207 CB THR A 17 8.891 2.764 -8.012 1.00 0.00 C ATOM 208 OG1 THR A 17 8.700 1.403 -8.412 1.00 0.00 O ATOM 209 CG2 THR A 17 9.835 3.456 -8.983 1.00 0.00 C ATOM 0 H THR A 17 7.720 2.927 -5.394 1.00 0.00 H new ATOM 0 HA THR A 17 10.332 2.187 -6.514 1.00 0.00 H new ATOM 0 HB THR A 17 7.933 3.285 -8.028 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.345 1.377 -9.325 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.422 3.405 -9.991 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.955 4.500 -8.692 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.805 2.960 -8.963 1.00 0.00 H new ATOM 217 N CYS A 18 10.887 4.416 -5.459 1.00 0.00 N ATOM 218 CA CYS A 18 11.354 5.741 -5.068 1.00 0.00 C ATOM 219 C CYS A 18 11.476 6.656 -6.281 1.00 0.00 C ATOM 220 O CYS A 18 12.457 6.592 -7.023 1.00 0.00 O ATOM 221 CB CYS A 18 12.703 5.638 -4.353 1.00 0.00 C ATOM 222 SG CYS A 18 14.026 4.946 -5.372 1.00 0.00 S ATOM 0 H CYS A 18 11.439 3.646 -5.081 1.00 0.00 H new ATOM 0 HA CYS A 18 10.621 6.171 -4.386 1.00 0.00 H new ATOM 0 HB2 CYS A 18 13.000 6.631 -4.016 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.584 5.021 -3.462 1.00 0.00 H new ATOM 0 HG CYS A 18 13.896 5.366 -6.596 1.00 0.00 H new ATOM 228 N ARG A 19 10.474 7.505 -6.479 1.00 0.00 N ATOM 229 CA ARG A 19 10.467 8.431 -7.605 1.00 0.00 C ATOM 230 C ARG A 19 11.507 9.531 -7.411 1.00 0.00 C ATOM 231 O ARG A 19 12.124 9.993 -8.370 1.00 0.00 O ATOM 232 CB ARG A 19 9.079 9.051 -7.776 1.00 0.00 C ATOM 233 CG ARG A 19 8.094 8.147 -8.498 1.00 0.00 C ATOM 234 CD ARG A 19 8.399 8.066 -9.985 1.00 0.00 C ATOM 235 NE ARG A 19 7.764 9.147 -10.735 1.00 0.00 N ATOM 236 CZ ARG A 19 7.699 9.184 -12.061 1.00 0.00 C ATOM 237 NH1 ARG A 19 8.228 8.203 -12.781 1.00 0.00 N ATOM 238 NH2 ARG A 19 7.105 10.201 -12.670 1.00 0.00 N ATOM 0 H ARG A 19 9.656 7.571 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 19 10.720 7.870 -8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.678 9.300 -6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.173 9.986 -8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.129 7.148 -8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.081 8.522 -8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.478 8.105 -10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.057 7.106 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 19 7.347 9.916 -10.211 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.686 7.419 -12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.177 8.233 -13.799 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.697 10.957 -12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.056 10.227 -13.688 1.00 0.00 H new ATOM 252 N SER A 20 11.694 9.947 -6.161 1.00 0.00 N ATOM 253 CA SER A 20 12.655 10.995 -5.841 1.00 0.00 C ATOM 254 C SER A 20 12.836 11.123 -4.331 1.00 0.00 C ATOM 255 O SER A 20 12.215 10.396 -3.557 1.00 0.00 O ATOM 256 CB SER A 20 12.197 12.333 -6.427 1.00 0.00 C ATOM 257 OG SER A 20 13.288 13.224 -6.578 1.00 0.00 O ATOM 0 H SER A 20 11.193 9.574 -5.355 1.00 0.00 H new ATOM 0 HA SER A 20 13.614 10.722 -6.283 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.723 12.167 -7.394 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.446 12.780 -5.776 1.00 0.00 H new ATOM 0 HG SER A 20 12.969 14.070 -6.956 1.00 0.00 H new ATOM 263 N ALA A 21 13.691 12.054 -3.921 1.00 0.00 N ATOM 264 CA ALA A 21 13.953 12.280 -2.505 1.00 0.00 C ATOM 265 C ALA A 21 12.660 12.556 -1.744 1.00 0.00 C ATOM 266 O ALA A 21 12.537 12.222 -0.566 1.00 0.00 O ATOM 267 CB ALA A 21 14.929 13.433 -2.326 1.00 0.00 C ATOM 0 H ALA A 21 14.214 12.664 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 21 14.399 11.374 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.115 13.590 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.867 13.197 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.505 14.339 -2.758 1.00 0.00 H new ATOM 273 N THR A 22 11.698 13.170 -2.427 1.00 0.00 N ATOM 274 CA THR A 22 10.415 13.493 -1.814 1.00 0.00 C ATOM 275 C THR A 22 9.257 12.942 -2.640 1.00 0.00 C ATOM 276 O THR A 22 8.127 13.419 -2.538 1.00 0.00 O ATOM 277 CB THR A 22 10.237 15.015 -1.654 1.00 0.00 C ATOM 278 OG1 THR A 22 9.922 15.607 -2.920 1.00 0.00 O ATOM 279 CG2 THR A 22 11.498 15.651 -1.090 1.00 0.00 C ATOM 0 H THR A 22 11.783 13.453 -3.403 1.00 0.00 H new ATOM 0 HA THR A 22 10.409 13.028 -0.828 1.00 0.00 H new ATOM 0 HB THR A 22 9.418 15.192 -0.957 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.809 16.574 -2.810 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.348 16.726 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.718 15.219 -0.114 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.333 15.465 -1.766 1.00 0.00 H new ATOM 287 N CYS A 23 9.547 11.933 -3.455 1.00 0.00 N ATOM 288 CA CYS A 23 8.529 11.316 -4.298 1.00 0.00 C ATOM 289 C CYS A 23 8.607 9.795 -4.219 1.00 0.00 C ATOM 290 O CYS A 23 9.694 9.220 -4.164 1.00 0.00 O ATOM 291 CB CYS A 23 8.694 11.772 -5.749 1.00 0.00 C ATOM 292 SG CYS A 23 8.985 13.547 -5.937 1.00 0.00 S ATOM 0 H CYS A 23 10.477 11.526 -3.550 1.00 0.00 H new ATOM 0 HA CYS A 23 7.551 11.631 -3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.526 11.229 -6.197 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.799 11.500 -6.308 1.00 0.00 H new ATOM 0 HG CYS A 23 9.113 13.834 -7.198 1.00 0.00 H new ATOM 298 N ALA A 24 7.445 9.148 -4.212 1.00 0.00 N ATOM 299 CA ALA A 24 7.382 7.694 -4.139 1.00 0.00 C ATOM 300 C ALA A 24 6.157 7.161 -4.874 1.00 0.00 C ATOM 301 O ALA A 24 5.175 7.878 -5.062 1.00 0.00 O ATOM 302 CB ALA A 24 7.368 7.238 -2.687 1.00 0.00 C ATOM 0 H ALA A 24 6.536 9.608 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 24 8.270 7.292 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.321 6.150 -2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.276 7.580 -2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.498 7.657 -2.182 1.00 0.00 H new ATOM 308 N GLN A 25 6.224 5.899 -5.289 1.00 0.00 N ATOM 309 CA GLN A 25 5.120 5.272 -6.005 1.00 0.00 C ATOM 310 C GLN A 25 4.844 3.873 -5.463 1.00 0.00 C ATOM 311 O GLN A 25 5.763 3.160 -5.060 1.00 0.00 O ATOM 312 CB GLN A 25 5.430 5.201 -7.502 1.00 0.00 C ATOM 313 CG GLN A 25 4.244 4.768 -8.348 1.00 0.00 C ATOM 314 CD GLN A 25 4.654 4.294 -9.728 1.00 0.00 C ATOM 315 OE1 GLN A 25 5.835 4.314 -10.079 1.00 0.00 O ATOM 316 NE2 GLN A 25 3.679 3.864 -10.521 1.00 0.00 N ATOM 0 H GLN A 25 7.030 5.292 -5.141 1.00 0.00 H new ATOM 0 HA GLN A 25 4.229 5.882 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.770 6.180 -7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.253 4.505 -7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.711 3.967 -7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.549 5.602 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.714 3.865 -10.190 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.895 3.533 -11.461 1.00 0.00 H new ATOM 325 N VAL A 26 3.573 3.485 -5.457 1.00 0.00 N ATOM 326 CA VAL A 26 3.176 2.171 -4.966 1.00 0.00 C ATOM 327 C VAL A 26 2.271 1.461 -5.965 1.00 0.00 C ATOM 328 O VAL A 26 1.625 2.099 -6.795 1.00 0.00 O ATOM 329 CB VAL A 26 2.448 2.275 -3.612 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.197 0.891 -3.034 1.00 0.00 C ATOM 331 CG2 VAL A 26 3.247 3.130 -2.641 1.00 0.00 C ATOM 0 H VAL A 26 2.800 4.063 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 26 4.090 1.592 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 26 1.483 2.756 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.682 0.984 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.580 0.315 -3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.149 0.381 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.717 3.192 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.227 2.680 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.370 4.131 -3.054 1.00 0.00 H new ATOM 341 N ASN A 27 2.228 0.136 -5.878 1.00 0.00 N ATOM 342 CA ASN A 27 1.400 -0.663 -6.776 1.00 0.00 C ATOM 343 C ASN A 27 1.074 -2.017 -6.153 1.00 0.00 C ATOM 344 O ASN A 27 1.965 -2.732 -5.696 1.00 0.00 O ATOM 345 CB ASN A 27 2.111 -0.862 -8.115 1.00 0.00 C ATOM 346 CG ASN A 27 1.856 0.278 -9.082 1.00 0.00 C ATOM 347 OD1 ASN A 27 2.852 1.135 -9.263 1.00 0.00 O flip ATOM 348 ND2 ASN A 27 0.773 0.384 -9.659 1.00 0.00 N flip ATOM 0 H ASN A 27 2.756 -0.408 -5.196 1.00 0.00 H new ATOM 0 HA ASN A 27 0.466 -0.127 -6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.183 -0.956 -7.943 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.777 -1.797 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.035 -0.300 -9.489 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.614 1.155 -10.307 1.00 0.00 H new ATOM 355 N TRP A 28 -0.209 -2.362 -6.141 1.00 0.00 N ATOM 356 CA TRP A 28 -0.654 -3.631 -5.575 1.00 0.00 C ATOM 357 C TRP A 28 -1.420 -4.448 -6.610 1.00 0.00 C ATOM 358 O TRP A 28 -1.568 -4.031 -7.758 1.00 0.00 O ATOM 359 CB TRP A 28 -1.533 -3.386 -4.348 1.00 0.00 C ATOM 360 CG TRP A 28 -2.638 -2.403 -4.596 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.943 -2.691 -4.872 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.533 -0.975 -4.590 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.656 -1.529 -5.040 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.814 -0.462 -4.871 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.481 -0.081 -4.373 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.069 0.905 -4.941 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.736 1.276 -4.444 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.021 1.759 -4.725 1.00 0.00 C ATOM 0 H TRP A 28 -0.959 -1.781 -6.516 1.00 0.00 H new ATOM 0 HA TRP A 28 0.228 -4.196 -5.273 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.965 -4.333 -4.024 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.910 -3.023 -3.530 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.355 -3.687 -4.947 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.651 -1.470 -5.256 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.487 -0.443 -4.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.059 1.279 -5.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.930 1.976 -4.280 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.188 2.825 -4.772 1.00 0.00 H new ATOM 379 N GLU A 29 -1.904 -5.615 -6.195 1.00 0.00 N ATOM 380 CA GLU A 29 -2.654 -6.491 -7.087 1.00 0.00 C ATOM 381 C GLU A 29 -3.774 -7.204 -6.335 1.00 0.00 C ATOM 382 O GLU A 29 -3.867 -7.120 -5.110 1.00 0.00 O ATOM 383 CB GLU A 29 -1.722 -7.518 -7.732 1.00 0.00 C ATOM 384 CG GLU A 29 -0.600 -6.896 -8.547 1.00 0.00 C ATOM 385 CD GLU A 29 0.496 -7.888 -8.882 1.00 0.00 C ATOM 386 OE1 GLU A 29 1.287 -8.227 -7.977 1.00 0.00 O ATOM 387 OE2 GLU A 29 0.564 -8.325 -10.050 1.00 0.00 O ATOM 0 H GLU A 29 -1.790 -5.975 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.100 -5.876 -7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.289 -8.143 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.308 -8.173 -8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.010 -6.488 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.172 -6.061 -7.992 1.00 0.00 H new ATOM 394 N VAL A 30 -4.623 -7.908 -7.077 1.00 0.00 N ATOM 395 CA VAL A 30 -5.736 -8.637 -6.481 1.00 0.00 C ATOM 396 C VAL A 30 -5.393 -10.112 -6.303 1.00 0.00 C ATOM 397 O VAL A 30 -5.013 -10.806 -7.247 1.00 0.00 O ATOM 398 CB VAL A 30 -7.009 -8.518 -7.339 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.239 -8.886 -6.524 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.137 -7.113 -7.909 1.00 0.00 C ATOM 0 H VAL A 30 -4.561 -7.989 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.922 -8.189 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.932 -9.218 -8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.129 -8.796 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.147 -9.913 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.324 -8.214 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.042 -7.046 -8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.192 -6.393 -7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.269 -6.892 -8.530 1.00 0.00 H new ATOM 410 N PRO A 31 -5.531 -10.606 -5.063 1.00 0.00 N ATOM 411 CA PRO A 31 -5.243 -12.005 -4.732 1.00 0.00 C ATOM 412 C PRO A 31 -6.262 -12.966 -5.333 1.00 0.00 C ATOM 413 O PRO A 31 -7.293 -12.544 -5.860 1.00 0.00 O ATOM 414 CB PRO A 31 -5.321 -12.029 -3.203 1.00 0.00 C ATOM 415 CG PRO A 31 -6.222 -10.897 -2.851 1.00 0.00 C ATOM 416 CD PRO A 31 -5.980 -9.838 -3.890 1.00 0.00 C ATOM 0 HA PRO A 31 -4.281 -12.328 -5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.718 -12.978 -2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.335 -11.904 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.265 -11.213 -2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.004 -10.521 -1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.886 -9.271 -4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.225 -9.122 -3.566 1.00 0.00 H new ATOM 424 N LEU A 32 -5.970 -14.259 -5.251 1.00 0.00 N ATOM 425 CA LEU A 32 -6.862 -15.281 -5.787 1.00 0.00 C ATOM 426 C LEU A 32 -8.218 -15.241 -5.089 1.00 0.00 C ATOM 427 O LEU A 32 -8.367 -15.738 -3.973 1.00 0.00 O ATOM 428 CB LEU A 32 -6.234 -16.667 -5.630 1.00 0.00 C ATOM 429 CG LEU A 32 -6.962 -17.816 -6.330 1.00 0.00 C ATOM 430 CD1 LEU A 32 -6.935 -17.623 -7.838 1.00 0.00 C ATOM 431 CD2 LEU A 32 -6.340 -19.151 -5.949 1.00 0.00 C ATOM 0 H LEU A 32 -5.122 -14.625 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.014 -15.076 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.213 -16.626 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.171 -16.897 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.002 -17.817 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.457 -18.449 -8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.427 -16.684 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.901 -17.597 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.870 -19.957 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.292 -19.162 -6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.412 -19.291 -4.870 1.00 0.00 H new ATOM 443 N SER A 33 -9.203 -14.647 -5.754 1.00 0.00 N ATOM 444 CA SER A 33 -10.546 -14.541 -5.196 1.00 0.00 C ATOM 445 C SER A 33 -11.572 -15.188 -6.122 1.00 0.00 C ATOM 446 O SER A 33 -12.197 -14.514 -6.939 1.00 0.00 O ATOM 447 CB SER A 33 -10.909 -13.074 -4.961 1.00 0.00 C ATOM 448 OG SER A 33 -9.850 -12.383 -4.320 1.00 0.00 O ATOM 0 H SER A 33 -9.097 -14.232 -6.680 1.00 0.00 H new ATOM 0 HA SER A 33 -10.559 -15.069 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.136 -12.595 -5.914 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.810 -13.012 -4.351 1.00 0.00 H new ATOM 0 HG SER A 33 -9.082 -12.326 -4.926 1.00 0.00 H new ATOM 454 N ASN A 34 -11.737 -16.500 -5.988 1.00 0.00 N ATOM 455 CA ASN A 34 -12.685 -17.239 -6.813 1.00 0.00 C ATOM 456 C ASN A 34 -14.075 -17.232 -6.183 1.00 0.00 C ATOM 457 O ASN A 34 -14.682 -18.283 -5.978 1.00 0.00 O ATOM 458 CB ASN A 34 -12.209 -18.680 -7.007 1.00 0.00 C ATOM 459 CG ASN A 34 -11.630 -19.274 -5.737 1.00 0.00 C ATOM 460 OD1 ASN A 34 -10.425 -18.845 -5.380 1.00 0.00 O flip ATOM 461 ND2 ASN A 34 -12.258 -20.108 -5.087 1.00 0.00 N flip ATOM 0 H ASN A 34 -11.227 -17.073 -5.316 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.743 -16.748 -7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.045 -19.294 -7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.456 -18.708 -7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -13.181 -20.408 -5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.856 -20.499 -4.235 1.00 0.00 H new ATOM 468 N GLY A 35 -14.575 -16.038 -5.877 1.00 0.00 N ATOM 469 CA GLY A 35 -15.889 -15.916 -5.274 1.00 0.00 C ATOM 470 C GLY A 35 -16.206 -14.493 -4.857 1.00 0.00 C ATOM 471 O GLY A 35 -17.093 -13.855 -5.424 1.00 0.00 O ATOM 0 H GLY A 35 -14.093 -15.153 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.643 -16.261 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.947 -16.568 -4.403 1.00 0.00 H new ATOM 475 N THR A 36 -15.480 -13.995 -3.861 1.00 0.00 N ATOM 476 CA THR A 36 -15.690 -12.640 -3.367 1.00 0.00 C ATOM 477 C THR A 36 -14.953 -11.621 -4.226 1.00 0.00 C ATOM 478 O THR A 36 -13.810 -11.843 -4.628 1.00 0.00 O ATOM 479 CB THR A 36 -15.222 -12.497 -1.906 1.00 0.00 C ATOM 480 OG1 THR A 36 -13.914 -13.058 -1.753 1.00 0.00 O ATOM 481 CG2 THR A 36 -16.190 -13.189 -0.957 1.00 0.00 C ATOM 0 H THR A 36 -14.742 -14.510 -3.381 1.00 0.00 H new ATOM 0 HA THR A 36 -16.762 -12.447 -3.419 1.00 0.00 H new ATOM 0 HB THR A 36 -15.193 -11.436 -1.660 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.688 -13.107 -0.801 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.839 -13.075 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.178 -12.740 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 36 -16.247 -14.249 -1.205 1.00 0.00 H new ATOM 489 N ASP A 37 -15.613 -10.502 -4.506 1.00 0.00 N ATOM 490 CA ASP A 37 -15.018 -9.446 -5.317 1.00 0.00 C ATOM 491 C ASP A 37 -14.535 -8.294 -4.442 1.00 0.00 C ATOM 492 O ASP A 37 -15.311 -7.703 -3.690 1.00 0.00 O ATOM 493 CB ASP A 37 -16.029 -8.933 -6.345 1.00 0.00 C ATOM 494 CG ASP A 37 -15.964 -9.697 -7.652 1.00 0.00 C ATOM 495 OD1 ASP A 37 -16.172 -10.929 -7.630 1.00 0.00 O ATOM 496 OD2 ASP A 37 -15.708 -9.065 -8.697 1.00 0.00 O ATOM 0 H ASP A 37 -16.560 -10.303 -4.183 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.159 -9.865 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.035 -9.011 -5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.844 -7.876 -6.536 1.00 0.00 H new ATOM 501 N VAL A 38 -13.247 -7.980 -4.542 1.00 0.00 N ATOM 502 CA VAL A 38 -12.661 -6.898 -3.760 1.00 0.00 C ATOM 503 C VAL A 38 -13.401 -5.586 -3.993 1.00 0.00 C ATOM 504 O VAL A 38 -13.277 -4.970 -5.052 1.00 0.00 O ATOM 505 CB VAL A 38 -11.172 -6.703 -4.102 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.523 -5.733 -3.127 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.444 -8.039 -4.099 1.00 0.00 C ATOM 0 H VAL A 38 -12.590 -8.460 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.752 -7.180 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.101 -6.278 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.471 -5.608 -3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.028 -4.769 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.604 -6.127 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.393 -7.881 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.523 -8.494 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.893 -8.700 -4.840 1.00 0.00 H new ATOM 517 N THR A 39 -14.172 -5.163 -2.996 1.00 0.00 N ATOM 518 CA THR A 39 -14.933 -3.923 -3.093 1.00 0.00 C ATOM 519 C THR A 39 -14.010 -2.724 -3.268 1.00 0.00 C ATOM 520 O THR A 39 -14.022 -2.067 -4.309 1.00 0.00 O ATOM 521 CB THR A 39 -15.809 -3.705 -1.845 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.047 -3.959 -0.659 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.029 -4.613 -1.873 1.00 0.00 C ATOM 0 H THR A 39 -14.286 -5.660 -2.113 1.00 0.00 H new ATOM 0 HA THR A 39 -15.576 -4.013 -3.969 1.00 0.00 H new ATOM 0 HB THR A 39 -16.147 -2.669 -1.844 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.242 -4.469 -0.890 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.632 -4.440 -0.981 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.624 -4.396 -2.760 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.707 -5.654 -1.897 1.00 0.00 H new ATOM 531 N GLU A 40 -13.210 -2.442 -2.244 1.00 0.00 N ATOM 532 CA GLU A 40 -12.281 -1.320 -2.287 1.00 0.00 C ATOM 533 C GLU A 40 -10.911 -1.726 -1.752 1.00 0.00 C ATOM 534 O GLU A 40 -10.712 -2.864 -1.324 1.00 0.00 O ATOM 535 CB GLU A 40 -12.829 -0.143 -1.476 1.00 0.00 C ATOM 536 CG GLU A 40 -12.936 -0.429 0.013 1.00 0.00 C ATOM 537 CD GLU A 40 -14.276 -1.025 0.397 1.00 0.00 C ATOM 538 OE1 GLU A 40 -15.280 -0.714 -0.279 1.00 0.00 O ATOM 539 OE2 GLU A 40 -14.323 -1.802 1.373 1.00 0.00 O ATOM 0 H GLU A 40 -13.187 -2.975 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.169 -1.015 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.184 0.723 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.814 0.124 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.140 -1.114 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.781 0.496 0.569 1.00 0.00 H new ATOM 546 N TYR A 41 -9.970 -0.789 -1.779 1.00 0.00 N ATOM 547 CA TYR A 41 -8.617 -1.051 -1.299 1.00 0.00 C ATOM 548 C TYR A 41 -8.137 0.074 -0.386 1.00 0.00 C ATOM 549 O TYR A 41 -7.952 1.209 -0.825 1.00 0.00 O ATOM 550 CB TYR A 41 -7.657 -1.209 -2.479 1.00 0.00 C ATOM 551 CG TYR A 41 -8.054 -2.309 -3.439 1.00 0.00 C ATOM 552 CD1 TYR A 41 -9.253 -2.248 -4.138 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.231 -3.409 -3.644 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.620 -3.250 -5.016 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.588 -4.415 -4.521 1.00 0.00 C ATOM 556 CZ TYR A 41 -8.784 -4.331 -5.204 1.00 0.00 C ATOM 557 OH TYR A 41 -9.144 -5.332 -6.076 1.00 0.00 O ATOM 0 H TYR A 41 -10.118 0.158 -2.128 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.634 -1.978 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.604 -0.266 -3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.657 -1.414 -2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.910 -1.403 -3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.296 -3.479 -3.108 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.556 -3.187 -5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.935 -5.262 -4.671 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.950 -5.051 -6.995 1.00 0.00 H new ATOM 567 N ARG A 42 -7.937 -0.252 0.887 1.00 0.00 N ATOM 568 CA ARG A 42 -7.479 0.729 1.863 1.00 0.00 C ATOM 569 C ARG A 42 -5.958 0.716 1.973 1.00 0.00 C ATOM 570 O ARG A 42 -5.371 -0.216 2.525 1.00 0.00 O ATOM 571 CB ARG A 42 -8.102 0.447 3.231 1.00 0.00 C ATOM 572 CG ARG A 42 -9.442 1.132 3.444 1.00 0.00 C ATOM 573 CD ARG A 42 -10.058 0.750 4.780 1.00 0.00 C ATOM 574 NE ARG A 42 -11.505 0.947 4.792 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.260 0.784 5.874 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.708 0.425 7.024 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.570 0.982 5.804 1.00 0.00 N ATOM 0 H ARG A 42 -8.085 -1.187 1.266 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.793 1.716 1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.231 -0.629 3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.411 0.770 4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.310 2.213 3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.123 0.860 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.833 -0.294 4.998 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.604 1.346 5.572 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.961 1.225 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.701 0.273 7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.290 0.301 7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.997 1.259 4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.150 0.857 6.634 1.00 0.00 H new ATOM 591 N LEU A 43 -5.323 1.756 1.444 1.00 0.00 N ATOM 592 CA LEU A 43 -3.869 1.866 1.482 1.00 0.00 C ATOM 593 C LEU A 43 -3.422 2.812 2.591 1.00 0.00 C ATOM 594 O LEU A 43 -3.839 3.969 2.638 1.00 0.00 O ATOM 595 CB LEU A 43 -3.339 2.357 0.134 1.00 0.00 C ATOM 596 CG LEU A 43 -1.844 2.673 0.074 1.00 0.00 C ATOM 597 CD1 LEU A 43 -1.034 1.397 -0.090 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.549 3.644 -1.060 1.00 0.00 C ATOM 0 H LEU A 43 -5.793 2.536 0.983 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.461 0.876 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.560 1.600 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.891 3.254 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.554 3.144 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.027 1.642 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.221 0.736 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.326 0.897 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.480 3.857 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.855 3.201 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.100 4.570 -0.898 1.00 0.00 H new ATOM 610 N GLU A 44 -2.570 2.312 3.482 1.00 0.00 N ATOM 611 CA GLU A 44 -2.067 3.115 4.590 1.00 0.00 C ATOM 612 C GLU A 44 -0.573 3.385 4.432 1.00 0.00 C ATOM 613 O GLU A 44 0.214 2.465 4.215 1.00 0.00 O ATOM 614 CB GLU A 44 -2.330 2.408 5.922 1.00 0.00 C ATOM 615 CG GLU A 44 -3.793 2.069 6.152 1.00 0.00 C ATOM 616 CD GLU A 44 -4.027 1.358 7.471 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.114 0.638 7.927 1.00 0.00 O ATOM 618 OE2 GLU A 44 -5.122 1.523 8.047 1.00 0.00 O ATOM 0 H GLU A 44 -2.215 1.356 3.458 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.594 4.069 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.743 1.490 5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.980 3.043 6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.383 2.986 6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.149 1.440 5.336 1.00 0.00 H new ATOM 625 N TRP A 45 -0.193 4.652 4.542 1.00 0.00 N ATOM 626 CA TRP A 45 1.206 5.045 4.410 1.00 0.00 C ATOM 627 C TRP A 45 1.645 5.900 5.593 1.00 0.00 C ATOM 628 O TRP A 45 1.089 6.970 5.838 1.00 0.00 O ATOM 629 CB TRP A 45 1.421 5.810 3.104 1.00 0.00 C ATOM 630 CG TRP A 45 2.816 6.337 2.947 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.415 7.305 3.701 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.784 5.925 1.975 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.698 7.520 3.256 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.947 6.685 2.199 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.780 4.987 0.940 1.00 0.00 C ATOM 636 CZ2 TRP A 45 6.095 6.535 1.423 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.918 4.839 0.171 1.00 0.00 C ATOM 638 CH2 TRP A 45 6.063 5.609 0.416 1.00 0.00 C ATOM 0 H TRP A 45 -0.833 5.425 4.722 1.00 0.00 H new ATOM 0 HA TRP A 45 1.812 4.139 4.396 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.192 5.153 2.265 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.719 6.642 3.059 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.950 7.825 4.525 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.357 8.192 3.649 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.903 4.388 0.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.978 7.128 1.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.925 4.118 -0.633 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.937 5.469 -0.202 1.00 0.00 H new ATOM 649 N GLY A 46 2.646 5.421 6.325 1.00 0.00 N ATOM 650 CA GLY A 46 3.142 6.155 7.475 1.00 0.00 C ATOM 651 C GLY A 46 4.642 6.013 7.651 1.00 0.00 C ATOM 652 O GLY A 46 5.171 4.903 7.646 1.00 0.00 O ATOM 0 H GLY A 46 3.122 4.538 6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.890 7.210 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.639 5.799 8.374 1.00 0.00 H new ATOM 656 N GLY A 47 5.328 7.141 7.805 1.00 0.00 N ATOM 657 CA GLY A 47 6.768 7.114 7.980 1.00 0.00 C ATOM 658 C GLY A 47 7.220 6.008 8.912 1.00 0.00 C ATOM 659 O GLY A 47 8.224 5.342 8.657 1.00 0.00 O ATOM 0 H GLY A 47 4.913 8.073 7.812 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.246 6.984 7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.101 8.075 8.373 1.00 0.00 H new ATOM 663 N VAL A 48 6.476 5.810 9.996 1.00 0.00 N ATOM 664 CA VAL A 48 6.806 4.776 10.970 1.00 0.00 C ATOM 665 C VAL A 48 5.693 3.738 11.068 1.00 0.00 C ATOM 666 O VAL A 48 4.539 4.075 11.328 1.00 0.00 O ATOM 667 CB VAL A 48 7.055 5.378 12.365 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.983 4.298 13.434 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.399 6.089 12.406 1.00 0.00 C ATOM 0 H VAL A 48 5.642 6.352 10.222 1.00 0.00 H new ATOM 0 HA VAL A 48 7.720 4.294 10.622 1.00 0.00 H new ATOM 0 HB VAL A 48 6.275 6.111 12.569 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.162 4.743 14.413 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.995 3.837 13.419 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.740 3.539 13.236 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.559 6.508 13.399 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.194 5.378 12.180 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.409 6.891 11.668 1.00 0.00 H new ATOM 679 N GLU A 49 6.050 2.475 10.859 1.00 0.00 N ATOM 680 CA GLU A 49 5.080 1.387 10.923 1.00 0.00 C ATOM 681 C GLU A 49 4.207 1.510 12.169 1.00 0.00 C ATOM 682 O GLU A 49 3.047 1.098 12.170 1.00 0.00 O ATOM 683 CB GLU A 49 5.795 0.035 10.919 1.00 0.00 C ATOM 684 CG GLU A 49 6.580 -0.242 12.191 1.00 0.00 C ATOM 685 CD GLU A 49 7.126 -1.655 12.243 1.00 0.00 C ATOM 686 OE1 GLU A 49 6.393 -2.557 12.699 1.00 0.00 O ATOM 687 OE2 GLU A 49 8.287 -1.860 11.829 1.00 0.00 O ATOM 0 H GLU A 49 7.002 2.180 10.644 1.00 0.00 H new ATOM 0 HA GLU A 49 4.440 1.453 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.058 -0.756 10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.474 -0.005 10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.406 0.466 12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.937 -0.073 13.055 1.00 0.00 H new ATOM 694 N GLY A 50 4.775 2.080 13.228 1.00 0.00 N ATOM 695 CA GLY A 50 4.035 2.246 14.466 1.00 0.00 C ATOM 696 C GLY A 50 2.766 3.053 14.279 1.00 0.00 C ATOM 697 O GLY A 50 1.743 2.768 14.901 1.00 0.00 O ATOM 0 H GLY A 50 5.733 2.429 13.251 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.782 1.265 14.869 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.670 2.739 15.202 1.00 0.00 H new ATOM 701 N SER A 51 2.831 4.066 13.420 1.00 0.00 N ATOM 702 CA SER A 51 1.680 4.921 13.157 1.00 0.00 C ATOM 703 C SER A 51 1.427 5.046 11.658 1.00 0.00 C ATOM 704 O SER A 51 2.259 5.570 10.919 1.00 0.00 O ATOM 705 CB SER A 51 1.897 6.308 13.767 1.00 0.00 C ATOM 706 OG SER A 51 1.436 6.354 15.106 1.00 0.00 O ATOM 0 H SER A 51 3.669 4.314 12.894 1.00 0.00 H new ATOM 0 HA SER A 51 0.805 4.462 13.618 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.957 6.561 13.735 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.373 7.056 13.173 1.00 0.00 H new ATOM 0 HG SER A 51 1.587 7.250 15.474 1.00 0.00 H new ATOM 712 N MET A 52 0.272 4.560 11.216 1.00 0.00 N ATOM 713 CA MET A 52 -0.093 4.618 9.806 1.00 0.00 C ATOM 714 C MET A 52 -1.575 4.937 9.639 1.00 0.00 C ATOM 715 O MET A 52 -2.418 4.401 10.357 1.00 0.00 O ATOM 716 CB MET A 52 0.237 3.292 9.117 1.00 0.00 C ATOM 717 CG MET A 52 1.722 2.975 9.088 1.00 0.00 C ATOM 718 SD MET A 52 2.062 1.286 8.556 1.00 0.00 S ATOM 719 CE MET A 52 1.846 1.440 6.784 1.00 0.00 C ATOM 0 H MET A 52 -0.428 4.121 11.815 1.00 0.00 H new ATOM 0 HA MET A 52 0.486 5.415 9.340 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.288 2.486 9.629 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.140 3.320 8.095 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.225 3.671 8.417 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.142 3.130 10.082 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.209 0.537 6.293 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.789 1.576 6.557 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.409 2.301 6.422 1.00 0.00 H new ATOM 729 N GLN A 53 -1.884 5.813 8.688 1.00 0.00 N ATOM 730 CA GLN A 53 -3.265 6.203 8.430 1.00 0.00 C ATOM 731 C GLN A 53 -3.617 6.017 6.958 1.00 0.00 C ATOM 732 O GLN A 53 -2.733 5.903 6.108 1.00 0.00 O ATOM 733 CB GLN A 53 -3.492 7.659 8.841 1.00 0.00 C ATOM 734 CG GLN A 53 -3.650 7.850 10.341 1.00 0.00 C ATOM 735 CD GLN A 53 -5.000 7.387 10.849 1.00 0.00 C ATOM 736 OE1 GLN A 53 -5.298 6.191 10.857 1.00 0.00 O ATOM 737 NE2 GLN A 53 -5.829 8.332 11.277 1.00 0.00 N ATOM 0 H GLN A 53 -1.198 6.265 8.084 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.914 5.560 9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.653 8.261 8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.384 8.035 8.339 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.864 7.300 10.858 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.516 8.904 10.585 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.543 9.311 11.253 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.752 8.079 11.630 1.00 0.00 H new ATOM 746 N ILE A 54 -4.912 5.988 6.663 1.00 0.00 N ATOM 747 CA ILE A 54 -5.380 5.816 5.293 1.00 0.00 C ATOM 748 C ILE A 54 -4.907 6.961 4.404 1.00 0.00 C ATOM 749 O ILE A 54 -4.936 8.125 4.806 1.00 0.00 O ATOM 750 CB ILE A 54 -6.916 5.731 5.229 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.430 4.661 6.193 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.371 5.435 3.808 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.453 3.271 5.596 1.00 0.00 C ATOM 0 H ILE A 54 -5.656 6.081 7.354 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.958 4.879 4.930 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.331 6.693 5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.802 4.655 7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.437 4.926 6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.459 5.378 3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.031 6.230 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.949 4.485 3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.828 2.564 6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.104 3.261 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.444 2.985 5.300 1.00 0.00 H new ATOM 765 N CYS A 55 -4.475 6.625 3.194 1.00 0.00 N ATOM 766 CA CYS A 55 -3.998 7.625 2.246 1.00 0.00 C ATOM 767 C CYS A 55 -4.761 7.534 0.929 1.00 0.00 C ATOM 768 O CYS A 55 -4.981 8.542 0.256 1.00 0.00 O ATOM 769 CB CYS A 55 -2.500 7.446 1.995 1.00 0.00 C ATOM 770 SG CYS A 55 -1.446 8.159 3.279 1.00 0.00 S ATOM 0 H CYS A 55 -4.445 5.667 2.846 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.172 8.611 2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.281 6.382 1.910 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.246 7.901 1.038 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.318 8.536 2.755 1.00 0.00 H new ATOM 776 N TYR A 56 -5.161 6.321 0.565 1.00 0.00 N ATOM 777 CA TYR A 56 -5.896 6.098 -0.674 1.00 0.00 C ATOM 778 C TYR A 56 -6.968 5.029 -0.486 1.00 0.00 C ATOM 779 O TYR A 56 -6.730 3.998 0.145 1.00 0.00 O ATOM 780 CB TYR A 56 -4.938 5.683 -1.792 1.00 0.00 C ATOM 781 CG TYR A 56 -5.630 5.388 -3.104 1.00 0.00 C ATOM 782 CD1 TYR A 56 -6.114 4.117 -3.385 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.800 6.381 -4.061 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.745 3.842 -4.583 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.432 6.115 -5.261 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.903 4.845 -5.517 1.00 0.00 C ATOM 787 OH TYR A 56 -7.533 4.576 -6.710 1.00 0.00 O ATOM 0 H TYR A 56 -4.989 5.477 1.111 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.384 7.033 -0.950 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.208 6.477 -1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.385 4.799 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.995 3.330 -2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.432 7.377 -3.864 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.113 2.847 -4.787 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.556 6.898 -5.994 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.563 5.390 -7.255 1.00 0.00 H new ATOM 797 N CYS A 57 -8.149 5.283 -1.039 1.00 0.00 N ATOM 798 CA CYS A 57 -9.260 4.343 -0.934 1.00 0.00 C ATOM 799 C CYS A 57 -9.983 4.203 -2.269 1.00 0.00 C ATOM 800 O CYS A 57 -10.490 5.181 -2.818 1.00 0.00 O ATOM 801 CB CYS A 57 -10.242 4.802 0.146 1.00 0.00 C ATOM 802 SG CYS A 57 -9.894 4.139 1.791 1.00 0.00 S ATOM 0 H CYS A 57 -8.362 6.131 -1.564 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.855 3.369 -0.658 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.229 5.891 0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.250 4.508 -0.146 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.777 4.586 2.635 1.00 0.00 H new ATOM 808 N GLY A 58 -10.025 2.980 -2.789 1.00 0.00 N ATOM 809 CA GLY A 58 -10.685 2.734 -4.056 1.00 0.00 C ATOM 810 C GLY A 58 -10.241 1.434 -4.700 1.00 0.00 C ATOM 811 O GLY A 58 -9.289 0.792 -4.257 1.00 0.00 O ATOM 0 H GLY A 58 -9.613 2.155 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.764 2.709 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.480 3.561 -4.736 1.00 0.00 H new ATOM 815 N PRO A 59 -10.942 1.030 -5.770 1.00 0.00 N ATOM 816 CA PRO A 59 -10.633 -0.204 -6.497 1.00 0.00 C ATOM 817 C PRO A 59 -9.320 -0.111 -7.269 1.00 0.00 C ATOM 818 O PRO A 59 -8.716 -1.126 -7.610 1.00 0.00 O ATOM 819 CB PRO A 59 -11.811 -0.352 -7.462 1.00 0.00 C ATOM 820 CG PRO A 59 -12.317 1.036 -7.657 1.00 0.00 C ATOM 821 CD PRO A 59 -12.087 1.748 -6.353 1.00 0.00 C ATOM 0 HA PRO A 59 -10.506 -1.052 -5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.496 -0.795 -8.407 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.583 -1.000 -7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.789 1.533 -8.471 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.375 1.032 -7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.864 2.804 -6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.964 1.698 -5.707 1.00 0.00 H new ATOM 829 N GLY A 60 -8.886 1.116 -7.541 1.00 0.00 N ATOM 830 CA GLY A 60 -7.648 1.319 -8.269 1.00 0.00 C ATOM 831 C GLY A 60 -6.523 0.442 -7.759 1.00 0.00 C ATOM 832 O GLY A 60 -6.569 -0.044 -6.628 1.00 0.00 O ATOM 0 H GLY A 60 -9.370 1.972 -7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.814 1.112 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.352 2.365 -8.191 1.00 0.00 H new ATOM 836 N LEU A 61 -5.510 0.235 -8.594 1.00 0.00 N ATOM 837 CA LEU A 61 -4.368 -0.593 -8.221 1.00 0.00 C ATOM 838 C LEU A 61 -3.060 0.170 -8.405 1.00 0.00 C ATOM 839 O LEU A 61 -1.999 -0.431 -8.575 1.00 0.00 O ATOM 840 CB LEU A 61 -4.348 -1.874 -9.057 1.00 0.00 C ATOM 841 CG LEU A 61 -5.667 -2.641 -9.142 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.619 -3.662 -10.268 1.00 0.00 C ATOM 843 CD2 LEU A 61 -5.977 -3.320 -7.817 1.00 0.00 C ATOM 0 H LEU A 61 -5.456 0.629 -9.533 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.468 -0.856 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.034 -1.619 -10.069 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.589 -2.540 -8.646 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.465 -1.930 -9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.567 -4.199 -10.313 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.446 -3.151 -11.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.810 -4.369 -10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.920 -3.861 -7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.178 -4.019 -7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.056 -2.568 -7.032 1.00 0.00 H new ATOM 855 N SER A 62 -3.144 1.496 -8.367 1.00 0.00 N ATOM 856 CA SER A 62 -1.966 2.340 -8.531 1.00 0.00 C ATOM 857 C SER A 62 -2.188 3.710 -7.897 1.00 0.00 C ATOM 858 O SER A 62 -3.188 4.377 -8.165 1.00 0.00 O ATOM 859 CB SER A 62 -1.631 2.501 -10.015 1.00 0.00 C ATOM 860 OG SER A 62 -2.770 2.908 -10.754 1.00 0.00 O ATOM 0 H SER A 62 -4.014 2.009 -8.224 1.00 0.00 H new ATOM 0 HA SER A 62 -1.129 1.856 -8.027 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.835 3.236 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.255 1.557 -10.411 1.00 0.00 H new ATOM 0 HG SER A 62 -3.354 3.450 -10.183 1.00 0.00 H new ATOM 866 N TYR A 63 -1.249 4.123 -7.054 1.00 0.00 N ATOM 867 CA TYR A 63 -1.341 5.412 -6.378 1.00 0.00 C ATOM 868 C TYR A 63 0.038 6.047 -6.223 1.00 0.00 C ATOM 869 O TYR A 63 0.970 5.417 -5.724 1.00 0.00 O ATOM 870 CB TYR A 63 -1.995 5.247 -5.005 1.00 0.00 C ATOM 871 CG TYR A 63 -2.122 6.541 -4.234 1.00 0.00 C ATOM 872 CD1 TYR A 63 -3.055 7.502 -4.602 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.307 6.804 -3.141 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.174 8.687 -3.901 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.419 7.985 -2.433 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.354 8.923 -2.816 1.00 0.00 C ATOM 877 OH TYR A 63 -2.469 10.102 -2.116 1.00 0.00 O ATOM 0 H TYR A 63 -0.415 3.584 -6.822 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.957 6.070 -6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.986 4.812 -5.134 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.411 4.539 -4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.698 7.320 -5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.572 6.072 -2.839 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.904 9.424 -4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.778 8.172 -1.584 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.821 10.111 -1.381 1.00 0.00 H new ATOM 887 N GLU A 64 0.159 7.297 -6.657 1.00 0.00 N ATOM 888 CA GLU A 64 1.423 8.018 -6.567 1.00 0.00 C ATOM 889 C GLU A 64 1.473 8.875 -5.306 1.00 0.00 C ATOM 890 O GLU A 64 0.579 9.687 -5.059 1.00 0.00 O ATOM 891 CB GLU A 64 1.624 8.897 -7.804 1.00 0.00 C ATOM 892 CG GLU A 64 2.971 9.600 -7.838 1.00 0.00 C ATOM 893 CD GLU A 64 3.290 10.180 -9.202 1.00 0.00 C ATOM 894 OE1 GLU A 64 2.374 10.734 -9.842 1.00 0.00 O ATOM 895 OE2 GLU A 64 4.460 10.078 -9.629 1.00 0.00 O ATOM 0 H GLU A 64 -0.603 7.832 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 64 2.227 7.284 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.522 8.281 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.832 9.645 -7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.979 10.399 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.752 8.895 -7.555 1.00 0.00 H new ATOM 902 N ILE A 65 2.522 8.690 -4.512 1.00 0.00 N ATOM 903 CA ILE A 65 2.688 9.446 -3.278 1.00 0.00 C ATOM 904 C ILE A 65 3.810 10.472 -3.408 1.00 0.00 C ATOM 905 O ILE A 65 4.850 10.198 -4.006 1.00 0.00 O ATOM 906 CB ILE A 65 2.990 8.520 -2.086 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.726 7.774 -1.657 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.560 9.320 -0.924 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.005 6.499 -0.894 1.00 0.00 C ATOM 0 H ILE A 65 3.270 8.023 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 65 1.746 9.963 -3.096 1.00 0.00 H new ATOM 0 HB ILE A 65 3.734 7.786 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.118 8.433 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.136 7.536 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.768 8.651 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.483 9.808 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.838 10.075 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.062 6.024 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.586 5.821 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.568 6.732 0.010 1.00 0.00 H new ATOM 921 N LYS A 66 3.593 11.654 -2.842 1.00 0.00 N ATOM 922 CA LYS A 66 4.585 12.721 -2.891 1.00 0.00 C ATOM 923 C LYS A 66 4.592 13.518 -1.591 1.00 0.00 C ATOM 924 O LYS A 66 3.831 13.226 -0.669 1.00 0.00 O ATOM 925 CB LYS A 66 4.305 13.653 -4.072 1.00 0.00 C ATOM 926 CG LYS A 66 4.398 12.968 -5.424 1.00 0.00 C ATOM 927 CD LYS A 66 3.977 13.896 -6.551 1.00 0.00 C ATOM 928 CE LYS A 66 5.122 14.797 -6.989 1.00 0.00 C ATOM 929 NZ LYS A 66 5.944 14.169 -8.060 1.00 0.00 N ATOM 0 H LYS A 66 2.737 11.897 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 66 5.566 12.264 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.309 14.080 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.012 14.482 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.421 12.631 -5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.765 12.080 -5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.632 13.306 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.136 14.508 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.721 15.745 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.755 15.023 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.713 14.814 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.348 13.277 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.346 13.977 -8.889 1.00 0.00 H new ATOM 943 N GLY A 67 5.455 14.526 -1.525 1.00 0.00 N ATOM 944 CA GLY A 67 5.543 15.351 -0.333 1.00 0.00 C ATOM 945 C GLY A 67 6.194 14.625 0.827 1.00 0.00 C ATOM 946 O GLY A 67 5.809 14.813 1.983 1.00 0.00 O ATOM 0 H GLY A 67 6.095 14.787 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.113 16.252 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.543 15.671 -0.042 1.00 0.00 H new ATOM 950 N LEU A 68 7.182 13.791 0.522 1.00 0.00 N ATOM 951 CA LEU A 68 7.887 13.032 1.549 1.00 0.00 C ATOM 952 C LEU A 68 9.222 13.687 1.891 1.00 0.00 C ATOM 953 O LEU A 68 9.608 14.686 1.284 1.00 0.00 O ATOM 954 CB LEU A 68 8.117 11.594 1.081 1.00 0.00 C ATOM 955 CG LEU A 68 6.909 10.888 0.464 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.340 9.615 -0.247 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.871 10.577 1.533 1.00 0.00 C ATOM 0 H LEU A 68 7.513 13.623 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 68 7.268 13.021 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.924 11.596 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.460 11.006 1.932 1.00 0.00 H new ATOM 0 HG LEU A 68 6.458 11.555 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.467 9.126 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.047 9.862 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.815 8.943 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.018 10.075 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.312 9.928 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.539 11.505 1.999 1.00 0.00 H new ATOM 969 N SER A 69 9.924 13.116 2.864 1.00 0.00 N ATOM 970 CA SER A 69 11.215 13.645 3.288 1.00 0.00 C ATOM 971 C SER A 69 12.345 12.704 2.885 1.00 0.00 C ATOM 972 O SER A 69 12.217 11.481 2.934 1.00 0.00 O ATOM 973 CB SER A 69 11.230 13.860 4.802 1.00 0.00 C ATOM 974 OG SER A 69 12.326 14.669 5.192 1.00 0.00 O ATOM 0 H SER A 69 9.620 12.286 3.374 1.00 0.00 H new ATOM 0 HA SER A 69 11.368 14.603 2.792 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.298 14.330 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.287 12.897 5.309 1.00 0.00 H new ATOM 0 HG SER A 69 12.312 14.793 6.164 1.00 0.00 H new ATOM 980 N PRO A 70 13.483 13.288 2.476 1.00 0.00 N ATOM 981 CA PRO A 70 14.660 12.521 2.057 1.00 0.00 C ATOM 982 C PRO A 70 15.331 11.805 3.225 1.00 0.00 C ATOM 983 O PRO A 70 15.251 12.253 4.369 1.00 0.00 O ATOM 984 CB PRO A 70 15.591 13.588 1.478 1.00 0.00 C ATOM 985 CG PRO A 70 15.188 14.852 2.157 1.00 0.00 C ATOM 986 CD PRO A 70 13.707 14.740 2.393 1.00 0.00 C ATOM 0 HA PRO A 70 14.402 11.732 1.350 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.636 13.350 1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.479 13.666 0.397 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.725 14.978 3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.420 15.719 1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.407 15.246 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.136 15.189 1.580 1.00 0.00 H new ATOM 994 N ALA A 71 15.994 10.693 2.928 1.00 0.00 N ATOM 995 CA ALA A 71 16.682 9.917 3.953 1.00 0.00 C ATOM 996 C ALA A 71 15.757 9.620 5.130 1.00 0.00 C ATOM 997 O ALA A 71 16.123 9.825 6.288 1.00 0.00 O ATOM 998 CB ALA A 71 17.924 10.655 4.429 1.00 0.00 C ATOM 0 H ALA A 71 16.070 10.309 1.986 1.00 0.00 H new ATOM 0 HA ALA A 71 16.984 8.967 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.428 10.064 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.599 10.811 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.636 11.620 4.847 1.00 0.00 H new ATOM 1004 N THR A 72 14.557 9.136 4.826 1.00 0.00 N ATOM 1005 CA THR A 72 13.580 8.813 5.857 1.00 0.00 C ATOM 1006 C THR A 72 12.911 7.470 5.580 1.00 0.00 C ATOM 1007 O THR A 72 12.572 7.159 4.438 1.00 0.00 O ATOM 1008 CB THR A 72 12.495 9.902 5.965 1.00 0.00 C ATOM 1009 OG1 THR A 72 13.072 11.121 6.443 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.378 9.462 6.899 1.00 0.00 C ATOM 0 H THR A 72 14.239 8.959 3.873 1.00 0.00 H new ATOM 0 HA THR A 72 14.123 8.758 6.800 1.00 0.00 H new ATOM 0 HB THR A 72 12.074 10.065 4.973 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.733 11.446 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.624 10.247 6.959 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.922 8.549 6.516 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.787 9.274 7.892 1.00 0.00 H new ATOM 1018 N THR A 73 12.723 6.680 6.631 1.00 0.00 N ATOM 1019 CA THR A 73 12.096 5.371 6.502 1.00 0.00 C ATOM 1020 C THR A 73 10.581 5.497 6.389 1.00 0.00 C ATOM 1021 O THR A 73 9.966 6.326 7.060 1.00 0.00 O ATOM 1022 CB THR A 73 12.436 4.463 7.699 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.849 4.470 7.932 1.00 0.00 O ATOM 1024 CG2 THR A 73 11.965 3.038 7.447 1.00 0.00 C ATOM 0 H THR A 73 12.996 6.924 7.583 1.00 0.00 H new ATOM 0 HA THR A 73 12.490 4.920 5.591 1.00 0.00 H new ATOM 0 HB THR A 73 11.921 4.849 8.579 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.058 3.892 8.695 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.216 2.415 8.305 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.885 3.033 7.298 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.456 2.644 6.557 1.00 0.00 H new ATOM 1032 N TYR A 74 9.984 4.669 5.538 1.00 0.00 N ATOM 1033 CA TYR A 74 8.540 4.690 5.337 1.00 0.00 C ATOM 1034 C TYR A 74 7.986 3.272 5.227 1.00 0.00 C ATOM 1035 O TYR A 74 8.731 2.316 5.011 1.00 0.00 O ATOM 1036 CB TYR A 74 8.191 5.485 4.079 1.00 0.00 C ATOM 1037 CG TYR A 74 8.361 6.979 4.240 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.340 7.762 4.762 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.544 7.608 3.868 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.490 9.128 4.912 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.703 8.971 4.015 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.674 9.727 4.536 1.00 0.00 C ATOM 1043 OH TYR A 74 8.830 11.087 4.682 1.00 0.00 O ATOM 0 H TYR A 74 10.478 3.975 4.977 1.00 0.00 H new ATOM 0 HA TYR A 74 8.084 5.173 6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.820 5.143 3.257 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.159 5.273 3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.412 7.295 5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.352 7.020 3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.686 9.722 5.321 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.629 9.444 3.723 1.00 0.00 H new ATOM 0 HH TYR A 74 9.673 11.272 5.147 1.00 0.00 H new ATOM 1053 N TYR A 75 6.672 3.146 5.376 1.00 0.00 N ATOM 1054 CA TYR A 75 6.016 1.846 5.295 1.00 0.00 C ATOM 1055 C TYR A 75 4.666 1.960 4.594 1.00 0.00 C ATOM 1056 O TYR A 75 4.047 3.025 4.583 1.00 0.00 O ATOM 1057 CB TYR A 75 5.828 1.258 6.695 1.00 0.00 C ATOM 1058 CG TYR A 75 7.088 1.269 7.531 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.515 2.429 8.162 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.851 0.119 7.688 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.667 2.444 8.927 1.00 0.00 C ATOM 1062 CE2 TYR A 75 9.002 0.124 8.451 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.406 1.289 9.068 1.00 0.00 C ATOM 1064 OH TYR A 75 10.553 1.299 9.828 1.00 0.00 O ATOM 0 H TYR A 75 6.041 3.927 5.553 1.00 0.00 H new ATOM 0 HA TYR A 75 6.653 1.182 4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.052 1.820 7.215 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.471 0.232 6.604 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.938 3.335 8.054 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.539 -0.795 7.205 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.986 3.355 9.411 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.583 -0.780 8.564 1.00 0.00 H new ATOM 0 HH TYR A 75 10.955 0.405 9.826 1.00 0.00 H new ATOM 1074 N CYS A 76 4.215 0.855 4.010 1.00 0.00 N ATOM 1075 CA CYS A 76 2.939 0.829 3.305 1.00 0.00 C ATOM 1076 C CYS A 76 2.319 -0.564 3.354 1.00 0.00 C ATOM 1077 O CYS A 76 3.011 -1.568 3.186 1.00 0.00 O ATOM 1078 CB CYS A 76 3.126 1.267 1.852 1.00 0.00 C ATOM 1079 SG CYS A 76 3.858 0.001 0.788 1.00 0.00 S ATOM 0 H CYS A 76 4.714 -0.034 4.011 1.00 0.00 H new ATOM 0 HA CYS A 76 2.263 1.525 3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.158 1.555 1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.758 2.155 1.830 1.00 0.00 H new ATOM 0 HG CYS A 76 3.791 -1.155 1.379 1.00 0.00 H new ATOM 1085 N ARG A 77 1.011 -0.616 3.587 1.00 0.00 N ATOM 1086 CA ARG A 77 0.299 -1.886 3.661 1.00 0.00 C ATOM 1087 C ARG A 77 -1.063 -1.786 2.981 1.00 0.00 C ATOM 1088 O ARG A 77 -1.848 -0.881 3.268 1.00 0.00 O ATOM 1089 CB ARG A 77 0.121 -2.312 5.120 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.771 -1.380 5.922 1.00 0.00 C ATOM 1091 CD ARG A 77 -0.848 -1.801 7.381 1.00 0.00 C ATOM 1092 NE ARG A 77 0.438 -1.661 8.059 1.00 0.00 N ATOM 1093 CZ ARG A 77 0.736 -2.270 9.202 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -0.155 -3.055 9.790 1.00 0.00 N ATOM 1095 NH2 ARG A 77 1.928 -2.093 9.757 1.00 0.00 N ATOM 0 H ARG A 77 0.424 0.206 3.728 1.00 0.00 H new ATOM 0 HA ARG A 77 0.893 -2.637 3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.300 -3.317 5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.100 -2.364 5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.388 -0.362 5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.772 -1.373 5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.596 -1.196 7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.179 -2.838 7.442 1.00 0.00 H new ATOM 0 HE ARG A 77 1.146 -1.063 7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.072 -3.193 9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.076 -3.521 10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.616 -1.489 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.157 -2.560 10.634 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.338 -2.720 2.076 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.605 -2.738 1.355 1.00 0.00 C ATOM 1111 C VAL A 78 -3.418 -3.979 1.703 1.00 0.00 C ATOM 1112 O VAL A 78 -2.864 -5.058 1.909 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.384 -2.693 -0.169 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.720 -3.974 -0.650 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.703 -2.462 -0.891 1.00 0.00 C ATOM 0 H VAL A 78 -0.700 -3.475 1.825 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.156 -1.849 1.661 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.720 -1.860 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.572 -3.924 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.755 -4.091 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.356 -4.826 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.529 -2.433 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.393 -3.273 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.134 -1.514 -0.567 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.736 -3.818 1.767 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.626 -4.927 2.091 1.00 0.00 C ATOM 1127 C GLN A 79 -6.851 -4.924 1.181 1.00 0.00 C ATOM 1128 O GLN A 79 -7.213 -3.894 0.615 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.063 -4.848 3.555 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.198 -3.867 3.799 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.747 -3.949 5.209 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -8.665 -4.880 5.434 1.00 0.00 O flip ATOM 1133 NE2 GLN A 79 -7.349 -3.183 6.089 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.211 -2.931 1.599 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.080 -5.857 1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.373 -5.839 3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.207 -4.560 4.166 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.844 -2.854 3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.001 -4.063 3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.641 -2.481 5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.727 -3.251 7.034 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.484 -6.085 1.048 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.670 -6.216 0.209 1.00 0.00 C ATOM 1144 C ALA A 80 -9.929 -6.363 1.057 1.00 0.00 C ATOM 1145 O ALA A 80 -10.028 -7.268 1.886 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.522 -7.403 -0.730 1.00 0.00 C ATOM 0 H ALA A 80 -7.196 -6.948 1.510 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.768 -5.307 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.414 -7.489 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.650 -7.257 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.396 -8.315 -0.147 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.887 -5.468 0.845 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.140 -5.498 1.591 1.00 0.00 C ATOM 1154 C LEU A 81 -13.261 -6.099 0.749 1.00 0.00 C ATOM 1155 O LEU A 81 -13.347 -5.854 -0.454 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.524 -4.087 2.038 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.701 -3.498 3.184 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.435 -2.843 2.650 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.528 -2.495 3.975 1.00 0.00 C ATOM 0 H LEU A 81 -10.820 -4.713 0.163 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.995 -6.125 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.443 -3.421 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.572 -4.095 2.337 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.413 -4.309 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.862 -2.429 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.833 -3.587 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.703 -2.043 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.926 -2.086 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.847 -1.687 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.405 -2.993 4.389 1.00 0.00 H new ATOM 1171 N SER A 82 -14.119 -6.887 1.391 1.00 0.00 N ATOM 1172 CA SER A 82 -15.233 -7.525 0.701 1.00 0.00 C ATOM 1173 C SER A 82 -16.557 -7.192 1.382 1.00 0.00 C ATOM 1174 O SER A 82 -16.601 -6.401 2.324 1.00 0.00 O ATOM 1175 CB SER A 82 -15.035 -9.042 0.660 1.00 0.00 C ATOM 1176 OG SER A 82 -14.649 -9.539 1.929 1.00 0.00 O ATOM 0 H SER A 82 -14.063 -7.098 2.387 1.00 0.00 H new ATOM 0 HA SER A 82 -15.263 -7.142 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.960 -9.524 0.343 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.274 -9.293 -0.079 1.00 0.00 H new ATOM 0 HG SER A 82 -14.820 -8.858 2.613 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.634 -7.802 0.900 1.00 0.00 N ATOM 1183 CA VAL A 83 -18.960 -7.572 1.462 1.00 0.00 C ATOM 1184 C VAL A 83 -19.277 -8.589 2.553 1.00 0.00 C ATOM 1185 O VAL A 83 -20.303 -8.492 3.227 1.00 0.00 O ATOM 1186 CB VAL A 83 -20.050 -7.644 0.376 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.927 -6.469 -0.583 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.970 -8.965 -0.373 1.00 0.00 C ATOM 0 H VAL A 83 -17.615 -8.460 0.121 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.953 -6.571 1.893 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.025 -7.586 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.705 -6.537 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.039 -5.536 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.948 -6.492 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.747 -8.998 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.992 -9.056 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.113 -9.789 0.326 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.389 -9.563 2.723 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.573 -10.598 3.735 1.00 0.00 C ATOM 1200 C VAL A 84 -17.532 -10.476 4.841 1.00 0.00 C ATOM 1201 O VAL A 84 -17.587 -11.189 5.842 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.488 -12.007 3.117 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -17.038 -12.450 2.996 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.290 -12.999 3.946 1.00 0.00 C ATOM 0 H VAL A 84 -17.535 -9.658 2.173 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.567 -10.454 4.159 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.917 -11.974 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.998 -13.447 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.496 -11.751 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.580 -12.470 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.220 -13.989 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.891 -13.032 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.334 -12.687 3.976 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.582 -9.564 4.655 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.541 -9.365 5.645 1.00 0.00 C ATOM 1216 C GLY A 85 -14.401 -8.511 5.126 1.00 0.00 C ATOM 1217 O GLY A 85 -14.565 -7.766 4.160 1.00 0.00 O ATOM 0 H GLY A 85 -16.515 -8.960 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.970 -8.894 6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.152 -10.334 5.958 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.243 -8.617 5.768 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.072 -7.849 5.365 1.00 0.00 C ATOM 1223 C ALA A 86 -10.805 -8.692 5.457 1.00 0.00 C ATOM 1224 O ALA A 86 -10.537 -9.318 6.481 1.00 0.00 O ATOM 1225 CB ALA A 86 -11.941 -6.598 6.221 1.00 0.00 C ATOM 0 H ALA A 86 -13.091 -9.228 6.570 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.203 -7.551 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.062 -6.034 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.831 -5.980 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.836 -6.883 7.268 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.027 -8.703 4.379 1.00 0.00 N ATOM 1232 CA GLY A 87 -8.797 -9.474 4.360 1.00 0.00 C ATOM 1233 C GLY A 87 -7.694 -8.825 5.174 1.00 0.00 C ATOM 1234 O GLY A 87 -7.729 -7.630 5.466 1.00 0.00 O ATOM 0 H GLY A 87 -10.226 -8.192 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.992 -10.473 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.462 -9.593 3.330 1.00 0.00 H new ATOM 1238 N PRO A 88 -6.688 -9.625 5.556 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.551 -9.145 6.348 1.00 0.00 C ATOM 1240 C PRO A 88 -4.641 -8.216 5.552 1.00 0.00 C ATOM 1241 O PRO A 88 -4.718 -8.158 4.324 1.00 0.00 O ATOM 1242 CB PRO A 88 -4.809 -10.431 6.720 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.173 -11.401 5.651 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.580 -11.061 5.243 1.00 0.00 C ATOM 0 HA PRO A 88 -5.873 -8.559 7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.732 -10.270 6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.112 -10.793 7.703 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.491 -11.322 4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.110 -12.426 6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.749 -11.255 4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.312 -11.649 5.796 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.781 -7.490 6.257 1.00 0.00 N ATOM 1253 CA PHE A 89 -2.856 -6.562 5.616 1.00 0.00 C ATOM 1254 C PHE A 89 -1.609 -7.292 5.124 1.00 0.00 C ATOM 1255 O PHE A 89 -0.986 -8.050 5.868 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.460 -5.450 6.588 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.372 -4.257 6.539 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.484 -3.502 5.383 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.117 -3.892 7.648 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.322 -2.405 5.335 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -4.958 -2.796 7.606 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.062 -2.051 6.447 1.00 0.00 C ATOM 0 H PHE A 89 -3.705 -7.526 7.274 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.360 -6.120 4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.453 -5.850 7.602 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.443 -5.129 6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.910 -3.774 4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.040 -4.471 8.557 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.399 -1.824 4.428 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.533 -2.522 8.478 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.719 -1.195 6.410 1.00 0.00 H new ATOM 1272 N SER A 90 -1.250 -7.056 3.866 1.00 0.00 N ATOM 1273 CA SER A 90 -0.081 -7.693 3.273 1.00 0.00 C ATOM 1274 C SER A 90 1.160 -7.454 4.128 1.00 0.00 C ATOM 1275 O SER A 90 1.122 -6.698 5.098 1.00 0.00 O ATOM 1276 CB SER A 90 0.152 -7.162 1.856 1.00 0.00 C ATOM 1277 OG SER A 90 0.191 -5.746 1.843 1.00 0.00 O ATOM 0 H SER A 90 -1.752 -6.428 3.238 1.00 0.00 H new ATOM 0 HA SER A 90 -0.267 -8.766 3.225 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.089 -7.558 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.642 -7.513 1.197 1.00 0.00 H new ATOM 0 HG SER A 90 -0.723 -5.394 1.844 1.00 0.00 H new ATOM 1283 N GLU A 91 2.260 -8.104 3.758 1.00 0.00 N ATOM 1284 CA GLU A 91 3.512 -7.962 4.491 1.00 0.00 C ATOM 1285 C GLU A 91 4.033 -6.531 4.407 1.00 0.00 C ATOM 1286 O GLU A 91 4.381 -6.047 3.330 1.00 0.00 O ATOM 1287 CB GLU A 91 4.562 -8.932 3.943 1.00 0.00 C ATOM 1288 CG GLU A 91 4.079 -10.370 3.863 1.00 0.00 C ATOM 1289 CD GLU A 91 4.896 -11.207 2.899 1.00 0.00 C ATOM 1290 OE1 GLU A 91 4.548 -11.240 1.699 1.00 0.00 O ATOM 1291 OE2 GLU A 91 5.884 -11.829 3.342 1.00 0.00 O ATOM 0 H GLU A 91 2.309 -8.733 2.956 1.00 0.00 H new ATOM 0 HA GLU A 91 3.319 -8.199 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.864 -8.603 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.449 -8.890 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.122 -10.819 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.034 -10.382 3.553 1.00 0.00 H new ATOM 1298 N VAL A 92 4.084 -5.857 5.553 1.00 0.00 N ATOM 1299 CA VAL A 92 4.563 -4.482 5.610 1.00 0.00 C ATOM 1300 C VAL A 92 5.816 -4.300 4.761 1.00 0.00 C ATOM 1301 O VAL A 92 6.818 -4.986 4.960 1.00 0.00 O ATOM 1302 CB VAL A 92 4.871 -4.055 7.058 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.469 -2.656 7.087 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.614 -4.124 7.913 1.00 0.00 C ATOM 0 H VAL A 92 3.799 -6.242 6.454 1.00 0.00 H new ATOM 0 HA VAL A 92 3.766 -3.853 5.215 1.00 0.00 H new ATOM 0 HB VAL A 92 5.604 -4.746 7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.680 -2.372 8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.394 -2.644 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.762 -1.949 6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.850 -3.819 8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.857 -3.457 7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.234 -5.145 7.919 1.00 0.00 H new ATOM 1314 N VAL A 93 5.752 -3.369 3.814 1.00 0.00 N ATOM 1315 CA VAL A 93 6.882 -3.096 2.934 1.00 0.00 C ATOM 1316 C VAL A 93 7.558 -1.779 3.301 1.00 0.00 C ATOM 1317 O VAL A 93 7.034 -0.701 3.016 1.00 0.00 O ATOM 1318 CB VAL A 93 6.445 -3.042 1.458 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.594 -2.578 0.577 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.932 -4.401 1.006 1.00 0.00 C ATOM 0 H VAL A 93 4.930 -2.792 3.637 1.00 0.00 H new ATOM 0 HA VAL A 93 7.590 -3.914 3.065 1.00 0.00 H new ATOM 0 HB VAL A 93 5.633 -2.321 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.266 -2.546 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.912 -1.583 0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.429 -3.272 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.627 -4.346 -0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.723 -5.143 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.078 -4.689 1.618 1.00 0.00 H new ATOM 1330 N ALA A 94 8.722 -1.873 3.934 1.00 0.00 N ATOM 1331 CA ALA A 94 9.470 -0.688 4.336 1.00 0.00 C ATOM 1332 C ALA A 94 10.315 -0.155 3.185 1.00 0.00 C ATOM 1333 O ALA A 94 10.791 -0.919 2.346 1.00 0.00 O ATOM 1334 CB ALA A 94 10.350 -1.003 5.538 1.00 0.00 C ATOM 0 H ALA A 94 9.168 -2.757 4.180 1.00 0.00 H new ATOM 0 HA ALA A 94 8.755 0.086 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.903 -0.110 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.726 -1.330 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.052 -1.796 5.278 1.00 0.00 H new ATOM 1340 N CYS A 95 10.497 1.161 3.152 1.00 0.00 N ATOM 1341 CA CYS A 95 11.285 1.797 2.101 1.00 0.00 C ATOM 1342 C CYS A 95 11.833 3.141 2.570 1.00 0.00 C ATOM 1343 O CYS A 95 11.105 3.958 3.135 1.00 0.00 O ATOM 1344 CB CYS A 95 10.435 1.991 0.844 1.00 0.00 C ATOM 1345 SG CYS A 95 9.445 3.504 0.848 1.00 0.00 S ATOM 0 H CYS A 95 10.110 1.808 3.840 1.00 0.00 H new ATOM 0 HA CYS A 95 12.125 1.144 1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 95 11.091 2.001 -0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.770 1.135 0.733 1.00 0.00 H new ATOM 0 HG CYS A 95 9.888 4.310 1.767 1.00 0.00 H new ATOM 1351 N VAL A 96 13.122 3.363 2.335 1.00 0.00 N ATOM 1352 CA VAL A 96 13.768 4.608 2.734 1.00 0.00 C ATOM 1353 C VAL A 96 14.091 5.474 1.521 1.00 0.00 C ATOM 1354 O VAL A 96 14.649 4.994 0.533 1.00 0.00 O ATOM 1355 CB VAL A 96 15.066 4.339 3.519 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.675 5.645 4.009 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.799 3.397 4.684 1.00 0.00 C ATOM 0 H VAL A 96 13.740 2.697 1.870 1.00 0.00 H new ATOM 0 HA VAL A 96 13.065 5.137 3.377 1.00 0.00 H new ATOM 0 HB VAL A 96 15.781 3.860 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.591 5.435 4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.904 6.282 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.966 6.154 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.727 3.218 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.067 3.846 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.412 2.451 4.306 1.00 0.00 H new ATOM 1367 N THR A 97 13.737 6.753 1.603 1.00 0.00 N ATOM 1368 CA THR A 97 13.988 7.685 0.512 1.00 0.00 C ATOM 1369 C THR A 97 15.438 8.158 0.516 1.00 0.00 C ATOM 1370 O THR A 97 16.093 8.222 1.556 1.00 0.00 O ATOM 1371 CB THR A 97 13.060 8.912 0.598 1.00 0.00 C ATOM 1372 OG1 THR A 97 12.973 9.367 1.952 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.670 8.576 0.079 1.00 0.00 C ATOM 0 H THR A 97 13.276 7.166 2.414 1.00 0.00 H new ATOM 0 HA THR A 97 13.786 7.149 -0.415 1.00 0.00 H new ATOM 0 HB THR A 97 13.481 9.703 -0.023 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.854 10.340 1.963 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.032 9.457 0.150 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.737 8.259 -0.962 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.243 7.771 0.677 1.00 0.00 H new ATOM 1381 N PRO A 98 15.953 8.498 -0.676 1.00 0.00 N ATOM 1382 CA PRO A 98 17.330 8.972 -0.837 1.00 0.00 C ATOM 1383 C PRO A 98 17.539 10.359 -0.241 1.00 0.00 C ATOM 1384 O PRO A 98 16.622 11.177 -0.173 1.00 0.00 O ATOM 1385 CB PRO A 98 17.519 9.008 -2.355 1.00 0.00 C ATOM 1386 CG PRO A 98 16.143 9.175 -2.903 1.00 0.00 C ATOM 1387 CD PRO A 98 15.229 8.446 -1.957 1.00 0.00 C ATOM 0 HA PRO A 98 18.044 8.331 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.167 9.832 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.981 8.090 -2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.875 10.229 -2.970 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.071 8.763 -3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.254 8.929 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.054 7.419 -2.278 1.00 0.00 H new ATOM 1395 N PRO A 99 18.776 10.634 0.203 1.00 0.00 N ATOM 1396 CA PRO A 99 19.133 11.923 0.801 1.00 0.00 C ATOM 1397 C PRO A 99 19.143 13.053 -0.222 1.00 0.00 C ATOM 1398 O PRO A 99 19.668 12.900 -1.325 1.00 0.00 O ATOM 1399 CB PRO A 99 20.543 11.683 1.346 1.00 0.00 C ATOM 1400 CG PRO A 99 21.090 10.580 0.507 1.00 0.00 C ATOM 1401 CD PRO A 99 19.918 9.706 0.155 1.00 0.00 C ATOM 0 HA PRO A 99 18.415 12.233 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.156 12.581 1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.518 11.404 2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.567 10.973 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.848 10.016 1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.032 9.259 -0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.800 8.886 0.864 1.00 0.00 H new ATOM 1409 N SER A 100 18.561 14.189 0.151 1.00 0.00 N ATOM 1410 CA SER A 100 18.501 15.345 -0.738 1.00 0.00 C ATOM 1411 C SER A 100 19.092 16.579 -0.063 1.00 0.00 C ATOM 1412 O SER A 100 18.390 17.318 0.627 1.00 0.00 O ATOM 1413 CB SER A 100 17.054 15.619 -1.152 1.00 0.00 C ATOM 1414 OG SER A 100 16.906 16.944 -1.637 1.00 0.00 O ATOM 0 H SER A 100 18.125 14.334 1.062 1.00 0.00 H new ATOM 0 HA SER A 100 19.090 15.122 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.752 14.910 -1.923 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.393 15.464 -0.300 1.00 0.00 H new ATOM 0 HG SER A 100 15.973 17.095 -1.897 1.00 0.00 H new ATOM 1420 N SER A 101 20.387 16.794 -0.269 1.00 0.00 N ATOM 1421 CA SER A 101 21.075 17.937 0.322 1.00 0.00 C ATOM 1422 C SER A 101 21.907 18.671 -0.725 1.00 0.00 C ATOM 1423 O SER A 101 22.133 18.163 -1.823 1.00 0.00 O ATOM 1424 CB SER A 101 21.974 17.479 1.473 1.00 0.00 C ATOM 1425 OG SER A 101 22.849 16.447 1.056 1.00 0.00 O ATOM 0 H SER A 101 20.981 16.193 -0.840 1.00 0.00 H new ATOM 0 HA SER A 101 20.321 18.623 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 101 22.554 18.324 1.844 1.00 0.00 H new ATOM 0 HB3 SER A 101 21.359 17.126 2.301 1.00 0.00 H new ATOM 0 HG SER A 101 23.414 16.173 1.809 1.00 0.00 H new ATOM 1431 N GLY A 102 22.359 19.871 -0.377 1.00 0.00 N ATOM 1432 CA GLY A 102 23.160 20.658 -1.297 1.00 0.00 C ATOM 1433 C GLY A 102 23.731 21.904 -0.649 1.00 0.00 C ATOM 1434 O GLY A 102 23.777 22.028 0.575 1.00 0.00 O ATOM 0 H GLY A 102 22.185 20.313 0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 102 23.976 20.045 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 102 22.548 20.945 -2.153 1.00 0.00 H new ATOM 1438 N PRO A 103 24.181 22.855 -1.483 1.00 0.00 N ATOM 1439 CA PRO A 103 24.761 24.114 -1.006 1.00 0.00 C ATOM 1440 C PRO A 103 23.720 25.027 -0.369 1.00 0.00 C ATOM 1441 O PRO A 103 22.696 25.337 -0.978 1.00 0.00 O ATOM 1442 CB PRO A 103 25.323 24.749 -2.280 1.00 0.00 C ATOM 1443 CG PRO A 103 24.507 24.171 -3.384 1.00 0.00 C ATOM 1444 CD PRO A 103 24.159 22.774 -2.952 1.00 0.00 C ATOM 0 HA PRO A 103 25.508 23.951 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 103 25.238 25.835 -2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 103 26.380 24.516 -2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 103 23.607 24.762 -3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.066 24.163 -4.320 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.180 22.471 -3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 103 24.880 22.047 -3.325 1.00 0.00 H new ATOM 1452 N SER A 104 23.988 25.456 0.861 1.00 0.00 N ATOM 1453 CA SER A 104 23.072 26.331 1.582 1.00 0.00 C ATOM 1454 C SER A 104 23.540 27.782 1.514 1.00 0.00 C ATOM 1455 O SER A 104 24.411 28.201 2.277 1.00 0.00 O ATOM 1456 CB SER A 104 22.954 25.890 3.042 1.00 0.00 C ATOM 1457 OG SER A 104 22.585 24.525 3.133 1.00 0.00 O ATOM 0 H SER A 104 24.832 25.211 1.378 1.00 0.00 H new ATOM 0 HA SER A 104 22.093 26.260 1.108 1.00 0.00 H new ATOM 0 HB2 SER A 104 23.905 26.048 3.551 1.00 0.00 H new ATOM 0 HB3 SER A 104 22.213 26.505 3.553 1.00 0.00 H new ATOM 0 HG SER A 104 22.518 24.266 4.076 1.00 0.00 H new ATOM 1463 N SER A 105 22.956 28.543 0.595 1.00 0.00 N ATOM 1464 CA SER A 105 23.315 29.947 0.423 1.00 0.00 C ATOM 1465 C SER A 105 23.036 30.739 1.696 1.00 0.00 C ATOM 1466 O SER A 105 22.107 30.430 2.442 1.00 0.00 O ATOM 1467 CB SER A 105 22.541 30.553 -0.749 1.00 0.00 C ATOM 1468 OG SER A 105 21.161 30.665 -0.445 1.00 0.00 O ATOM 0 H SER A 105 22.232 28.212 -0.043 1.00 0.00 H new ATOM 0 HA SER A 105 24.383 30.000 0.210 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.945 31.537 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 105 22.672 29.932 -1.635 1.00 0.00 H new ATOM 0 HG SER A 105 20.688 31.057 -1.209 1.00 0.00 H new ATOM 1474 N GLY A 106 23.848 31.762 1.939 1.00 0.00 N ATOM 1475 CA GLY A 106 23.674 32.584 3.124 1.00 0.00 C ATOM 1476 C GLY A 106 24.469 33.872 3.057 1.00 0.00 C ATOM 1477 O GLY A 106 24.175 34.749 2.244 1.00 0.00 O ATOM 0 H GLY A 106 24.624 32.037 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 106 22.617 32.819 3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 106 23.979 32.017 4.004 1.00 0.00 H new TER 1481 GLY A 106