USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=36 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 22 THR OG1 : rot 180:sc=-0.00709 USER MOD Set 1.2: A 23 CYS SG : rot 180:sc= -0.815 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 34:sc= 0.714 USER MOD Single : A 10 GLN : amide:sc= -0.746 K(o=-0.75,f=-3.5) USER MOD Single : A 11 CYS SG : rot 180:sc= -1.35 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.438 K(o=-0.44,f=-2.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 43:sc= -0.112 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00836 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 27 ASN :FLIP amide:sc= -1.18 F(o=-3.1!,f=-1.2) USER MOD Single : A 33 SER OG : rot 160:sc= -0.0779 USER MOD Single : A 34 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.24) USER MOD Single : A 36 THR OG1 : rot -110:sc= 0 USER MOD Single : A 39 THR OG1 : rot 87:sc= 0.623 USER MOD Single : A 41 TYR OH : rot 80:sc= -0.75 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 164:sc= -0.0294 (180deg=-0.747) USER MOD Single : A 53 GLN : amide:sc=-0.000315 K(o=-0.00032,f=-1.1) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.432 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.77 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 66:sc= 0.205 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 130:sc= 0.646 USER MOD Single : A 75 TYR OH : rot -123:sc= 1.05 USER MOD Single : A 76 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 79 GLN : amide:sc= -8.84! C(o=-8.8!,f=-9.6!) USER MOD Single : A 82 SER OG : rot -61:sc= 0.606 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 14:sc= 0.817 USER MOD Single : A 97 THR OG1 : rot 173:sc= 0.866 USER MOD Single : A 100 SER OG : rot 180:sc= 0 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 -6.634 -22.921 12.541 1.00 0.00 N ATOM 2 CA GLY A 1 -7.420 -21.714 12.718 1.00 0.00 C ATOM 3 C GLY A 1 -8.808 -21.834 12.118 1.00 0.00 C ATOM 4 O GLY A 1 -9.757 -22.216 12.802 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.695 -22.789 12.968 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.115 -23.719 13.003 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.528 -23.121 11.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.505 -21.492 13.782 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.900 -20.874 12.258 1.00 0.00 H new ATOM 8 N SER A 2 -8.926 -21.502 10.836 1.00 0.00 N ATOM 9 CA SER A 2 -10.208 -21.569 10.146 1.00 0.00 C ATOM 10 C SER A 2 -10.057 -22.233 8.781 1.00 0.00 C ATOM 11 O SER A 2 -9.039 -22.071 8.108 1.00 0.00 O ATOM 12 CB SER A 2 -10.795 -20.166 9.979 1.00 0.00 C ATOM 13 OG SER A 2 -9.769 -19.197 9.841 1.00 0.00 O ATOM 0 H SER A 2 -8.150 -21.184 10.255 1.00 0.00 H new ATOM 0 HA SER A 2 -10.886 -22.171 10.751 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.443 -20.141 9.103 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.416 -19.923 10.841 1.00 0.00 H new ATOM 0 HG SER A 2 -10.170 -18.309 9.734 1.00 0.00 H new ATOM 19 N SER A 3 -11.077 -22.985 8.379 1.00 0.00 N ATOM 20 CA SER A 3 -11.057 -23.679 7.096 1.00 0.00 C ATOM 21 C SER A 3 -11.928 -22.956 6.074 1.00 0.00 C ATOM 22 O SER A 3 -13.149 -22.903 6.208 1.00 0.00 O ATOM 23 CB SER A 3 -11.539 -25.121 7.265 1.00 0.00 C ATOM 24 OG SER A 3 -11.180 -25.913 6.146 1.00 0.00 O ATOM 0 H SER A 3 -11.928 -23.129 8.923 1.00 0.00 H new ATOM 0 HA SER A 3 -10.030 -23.687 6.731 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.108 -25.548 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.622 -25.134 7.391 1.00 0.00 H new ATOM 0 HG SER A 3 -11.498 -26.830 6.279 1.00 0.00 H new ATOM 30 N GLY A 4 -11.288 -22.398 5.049 1.00 0.00 N ATOM 31 CA GLY A 4 -12.019 -21.685 4.019 1.00 0.00 C ATOM 32 C GLY A 4 -13.121 -20.814 4.586 1.00 0.00 C ATOM 33 O GLY A 4 -14.299 -21.022 4.291 1.00 0.00 O ATOM 0 H GLY A 4 -10.277 -22.428 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.326 -21.065 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.450 -22.403 3.321 1.00 0.00 H new ATOM 37 N SER A 5 -12.741 -19.838 5.404 1.00 0.00 N ATOM 38 CA SER A 5 -13.708 -18.936 6.019 1.00 0.00 C ATOM 39 C SER A 5 -14.106 -17.825 5.052 1.00 0.00 C ATOM 40 O SER A 5 -13.567 -17.723 3.951 1.00 0.00 O ATOM 41 CB SER A 5 -13.130 -18.331 7.300 1.00 0.00 C ATOM 42 OG SER A 5 -12.055 -17.455 7.009 1.00 0.00 O ATOM 0 H SER A 5 -11.770 -19.651 5.656 1.00 0.00 H new ATOM 0 HA SER A 5 -14.599 -19.513 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.910 -17.789 7.835 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.786 -19.128 7.959 1.00 0.00 H new ATOM 0 HG SER A 5 -11.704 -17.080 7.843 1.00 0.00 H new ATOM 48 N SER A 6 -15.055 -16.995 5.473 1.00 0.00 N ATOM 49 CA SER A 6 -15.529 -15.893 4.645 1.00 0.00 C ATOM 50 C SER A 6 -14.469 -14.802 4.531 1.00 0.00 C ATOM 51 O SER A 6 -14.097 -14.177 5.523 1.00 0.00 O ATOM 52 CB SER A 6 -16.818 -15.308 5.226 1.00 0.00 C ATOM 53 OG SER A 6 -16.589 -14.741 6.505 1.00 0.00 O ATOM 0 H SER A 6 -15.511 -17.065 6.383 1.00 0.00 H new ATOM 0 HA SER A 6 -15.732 -16.283 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.212 -14.547 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.574 -16.089 5.301 1.00 0.00 H new ATOM 0 HG SER A 6 -15.688 -14.357 6.536 1.00 0.00 H new ATOM 59 N GLY A 7 -13.984 -14.582 3.313 1.00 0.00 N ATOM 60 CA GLY A 7 -12.969 -13.568 3.091 1.00 0.00 C ATOM 61 C GLY A 7 -11.858 -14.049 2.178 1.00 0.00 C ATOM 62 O GLY A 7 -11.584 -15.245 2.077 1.00 0.00 O ATOM 0 H GLY A 7 -14.275 -15.087 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.433 -12.682 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.544 -13.268 4.049 1.00 0.00 H new ATOM 66 N PRO A 8 -11.199 -13.102 1.493 1.00 0.00 N ATOM 67 CA PRO A 8 -10.102 -13.412 0.571 1.00 0.00 C ATOM 68 C PRO A 8 -8.852 -13.895 1.300 1.00 0.00 C ATOM 69 O PRO A 8 -8.862 -14.075 2.517 1.00 0.00 O ATOM 70 CB PRO A 8 -9.834 -12.075 -0.123 1.00 0.00 C ATOM 71 CG PRO A 8 -10.305 -11.044 0.844 1.00 0.00 C ATOM 72 CD PRO A 8 -11.474 -11.658 1.565 1.00 0.00 C ATOM 0 HA PRO A 8 -10.361 -14.219 -0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.775 -11.952 -0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.371 -12.005 -1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.513 -10.773 1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.600 -10.131 0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.537 -11.312 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.420 -11.405 1.086 1.00 0.00 H new ATOM 80 N ASP A 9 -7.777 -14.101 0.546 1.00 0.00 N ATOM 81 CA ASP A 9 -6.518 -14.561 1.122 1.00 0.00 C ATOM 82 C ASP A 9 -5.550 -13.397 1.311 1.00 0.00 C ATOM 83 O ASP A 9 -5.706 -12.343 0.697 1.00 0.00 O ATOM 84 CB ASP A 9 -5.885 -15.627 0.227 1.00 0.00 C ATOM 85 CG ASP A 9 -6.516 -16.992 0.415 1.00 0.00 C ATOM 86 OD1 ASP A 9 -7.041 -17.257 1.518 1.00 0.00 O ATOM 87 OD2 ASP A 9 -6.489 -17.796 -0.540 1.00 0.00 O ATOM 0 H ASP A 9 -7.752 -13.957 -0.463 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.730 -14.996 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.983 -15.326 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.818 -15.691 0.442 1.00 0.00 H new ATOM 92 N GLN A 10 -4.552 -13.597 2.166 1.00 0.00 N ATOM 93 CA GLN A 10 -3.560 -12.564 2.437 1.00 0.00 C ATOM 94 C GLN A 10 -3.066 -11.930 1.142 1.00 0.00 C ATOM 95 O GLN A 10 -2.762 -12.629 0.175 1.00 0.00 O ATOM 96 CB GLN A 10 -2.381 -13.150 3.215 1.00 0.00 C ATOM 97 CG GLN A 10 -1.222 -12.182 3.384 1.00 0.00 C ATOM 98 CD GLN A 10 -1.343 -11.343 4.642 1.00 0.00 C ATOM 99 OE1 GLN A 10 -2.428 -11.201 5.206 1.00 0.00 O ATOM 100 NE2 GLN A 10 -0.225 -10.782 5.089 1.00 0.00 N ATOM 0 H GLN A 10 -4.409 -14.465 2.683 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.035 -11.790 3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.727 -13.465 4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.025 -14.043 2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.287 -12.742 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.173 -11.524 2.516 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.653 -10.926 4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.244 -10.207 5.931 1.00 0.00 H new ATOM 109 N CYS A 11 -2.991 -10.604 1.129 1.00 0.00 N ATOM 110 CA CYS A 11 -2.534 -9.876 -0.050 1.00 0.00 C ATOM 111 C CYS A 11 -1.012 -9.772 -0.069 1.00 0.00 C ATOM 112 O CYS A 11 -0.361 -9.839 0.973 1.00 0.00 O ATOM 113 CB CYS A 11 -3.153 -8.477 -0.082 1.00 0.00 C ATOM 114 SG CYS A 11 -4.952 -8.471 -0.270 1.00 0.00 S ATOM 0 H CYS A 11 -3.240 -10.011 1.921 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.853 -10.428 -0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.893 -7.955 0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.710 -7.914 -0.904 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.383 -7.245 -0.284 1.00 0.00 H new ATOM 120 N LYS A 12 -0.451 -9.608 -1.263 1.00 0.00 N ATOM 121 CA LYS A 12 0.994 -9.496 -1.419 1.00 0.00 C ATOM 122 C LYS A 12 1.451 -8.053 -1.230 1.00 0.00 C ATOM 123 O LYS A 12 0.705 -7.104 -1.471 1.00 0.00 O ATOM 124 CB LYS A 12 1.419 -10.000 -2.801 1.00 0.00 C ATOM 125 CG LYS A 12 1.077 -9.042 -3.928 1.00 0.00 C ATOM 126 CD LYS A 12 2.055 -9.169 -5.085 1.00 0.00 C ATOM 127 CE LYS A 12 2.022 -7.942 -5.981 1.00 0.00 C ATOM 128 NZ LYS A 12 3.170 -7.917 -6.931 1.00 0.00 N ATOM 0 H LYS A 12 -0.975 -9.550 -2.136 1.00 0.00 H new ATOM 0 HA LYS A 12 1.466 -10.112 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.495 -10.177 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.939 -10.960 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.066 -9.242 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.087 -8.019 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.064 -9.310 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.813 -10.055 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.087 -7.926 -6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.040 -7.042 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.111 -7.065 -7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.062 -7.906 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.139 -8.763 -7.536 1.00 0.00 H new ATOM 142 N PRO A 13 2.706 -7.881 -0.790 1.00 0.00 N ATOM 143 CA PRO A 13 3.291 -6.557 -0.561 1.00 0.00 C ATOM 144 C PRO A 13 3.540 -5.801 -1.861 1.00 0.00 C ATOM 145 O PRO A 13 4.098 -6.334 -2.821 1.00 0.00 O ATOM 146 CB PRO A 13 4.616 -6.870 0.138 1.00 0.00 C ATOM 147 CG PRO A 13 4.961 -8.250 -0.305 1.00 0.00 C ATOM 148 CD PRO A 13 3.652 -8.968 -0.481 1.00 0.00 C ATOM 0 HA PRO A 13 2.629 -5.914 0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.391 -6.158 -0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.514 -6.816 1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.524 -8.231 -1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.585 -8.752 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.700 -9.700 -1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.364 -9.507 0.422 1.00 0.00 H new ATOM 156 N PRO A 14 3.118 -4.528 -1.897 1.00 0.00 N ATOM 157 CA PRO A 14 3.286 -3.671 -3.075 1.00 0.00 C ATOM 158 C PRO A 14 4.744 -3.297 -3.316 1.00 0.00 C ATOM 159 O PRO A 14 5.569 -3.359 -2.405 1.00 0.00 O ATOM 160 CB PRO A 14 2.464 -2.426 -2.727 1.00 0.00 C ATOM 161 CG PRO A 14 2.440 -2.392 -1.238 1.00 0.00 C ATOM 162 CD PRO A 14 2.445 -3.827 -0.790 1.00 0.00 C ATOM 0 HA PRO A 14 2.966 -4.168 -3.991 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.919 -1.524 -3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.456 -2.489 -3.138 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.306 -1.858 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.553 -1.873 -0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.982 -3.952 0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.434 -4.202 -0.632 1.00 0.00 H new ATOM 170 N GLN A 15 5.054 -2.907 -4.549 1.00 0.00 N ATOM 171 CA GLN A 15 6.413 -2.524 -4.908 1.00 0.00 C ATOM 172 C GLN A 15 6.565 -1.006 -4.924 1.00 0.00 C ATOM 173 O GLN A 15 5.895 -0.312 -5.689 1.00 0.00 O ATOM 174 CB GLN A 15 6.783 -3.098 -6.277 1.00 0.00 C ATOM 175 CG GLN A 15 8.204 -2.773 -6.711 1.00 0.00 C ATOM 176 CD GLN A 15 9.246 -3.460 -5.851 1.00 0.00 C ATOM 177 OE1 GLN A 15 9.370 -3.178 -4.659 1.00 0.00 O ATOM 178 NE2 GLN A 15 10.005 -4.369 -6.454 1.00 0.00 N ATOM 0 H GLN A 15 4.382 -2.848 -5.315 1.00 0.00 H new ATOM 0 HA GLN A 15 7.088 -2.932 -4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.658 -4.181 -6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.087 -2.713 -7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.340 -3.073 -7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.356 -1.694 -6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.868 -4.572 -7.444 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.724 -4.864 -5.927 1.00 0.00 H new ATOM 187 N VAL A 16 7.449 -0.496 -4.071 1.00 0.00 N ATOM 188 CA VAL A 16 7.688 0.939 -3.987 1.00 0.00 C ATOM 189 C VAL A 16 8.821 1.363 -4.916 1.00 0.00 C ATOM 190 O VAL A 16 9.898 0.765 -4.914 1.00 0.00 O ATOM 191 CB VAL A 16 8.033 1.367 -2.548 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.772 1.457 -1.701 1.00 0.00 C ATOM 193 CG2 VAL A 16 9.032 0.401 -1.930 1.00 0.00 C ATOM 0 H VAL A 16 8.011 -1.056 -3.429 1.00 0.00 H new ATOM 0 HA VAL A 16 6.766 1.432 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 16 8.491 2.355 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.035 1.761 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.094 2.191 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.283 0.483 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.264 0.719 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.603 -0.601 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.945 0.392 -2.525 1.00 0.00 H new ATOM 203 N THR A 17 8.571 2.400 -5.710 1.00 0.00 N ATOM 204 CA THR A 17 9.568 2.904 -6.645 1.00 0.00 C ATOM 205 C THR A 17 9.911 4.360 -6.351 1.00 0.00 C ATOM 206 O THR A 17 9.196 5.273 -6.768 1.00 0.00 O ATOM 207 CB THR A 17 9.082 2.788 -8.102 1.00 0.00 C ATOM 208 OG1 THR A 17 8.802 1.418 -8.416 1.00 0.00 O ATOM 209 CG2 THR A 17 10.126 3.330 -9.066 1.00 0.00 C ATOM 0 H THR A 17 7.686 2.907 -5.724 1.00 0.00 H new ATOM 0 HA THR A 17 10.459 2.290 -6.517 1.00 0.00 H new ATOM 0 HB THR A 17 8.172 3.379 -8.207 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.492 1.352 -9.343 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.760 3.237 -10.089 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.317 4.380 -8.843 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.050 2.762 -8.959 1.00 0.00 H new ATOM 217 N CYS A 18 11.007 4.571 -5.632 1.00 0.00 N ATOM 218 CA CYS A 18 11.444 5.918 -5.282 1.00 0.00 C ATOM 219 C CYS A 18 11.697 6.750 -6.535 1.00 0.00 C ATOM 220 O CYS A 18 12.776 6.690 -7.125 1.00 0.00 O ATOM 221 CB CYS A 18 12.713 5.860 -4.428 1.00 0.00 C ATOM 222 SG CYS A 18 14.091 4.992 -5.215 1.00 0.00 S ATOM 0 H CYS A 18 11.610 3.827 -5.280 1.00 0.00 H new ATOM 0 HA CYS A 18 10.649 6.393 -4.707 1.00 0.00 H new ATOM 0 HB2 CYS A 18 13.026 6.877 -4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.480 5.369 -3.483 1.00 0.00 H new ATOM 0 HG CYS A 18 14.177 5.354 -6.461 1.00 0.00 H new ATOM 228 N ARG A 19 10.696 7.526 -6.935 1.00 0.00 N ATOM 229 CA ARG A 19 10.808 8.368 -8.119 1.00 0.00 C ATOM 230 C ARG A 19 11.779 9.520 -7.878 1.00 0.00 C ATOM 231 O ARG A 19 12.480 9.957 -8.790 1.00 0.00 O ATOM 232 CB ARG A 19 9.436 8.918 -8.513 1.00 0.00 C ATOM 233 CG ARG A 19 8.423 7.838 -8.857 1.00 0.00 C ATOM 234 CD ARG A 19 8.492 7.459 -10.328 1.00 0.00 C ATOM 235 NE ARG A 19 8.249 8.604 -11.201 1.00 0.00 N ATOM 236 CZ ARG A 19 8.458 8.586 -12.513 1.00 0.00 C ATOM 237 NH1 ARG A 19 8.913 7.487 -13.100 1.00 0.00 N ATOM 238 NH2 ARG A 19 8.213 9.669 -13.240 1.00 0.00 N ATOM 0 H ARG A 19 9.798 7.589 -6.456 1.00 0.00 H new ATOM 0 HA ARG A 19 11.193 7.755 -8.934 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.047 9.522 -7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.552 9.582 -9.370 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.607 6.956 -8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.419 8.189 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.473 7.037 -10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.757 6.682 -10.537 1.00 0.00 H new ATOM 0 HE ARG A 19 7.900 9.465 -10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.103 6.653 -12.544 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.073 7.476 -14.107 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.864 10.516 -12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.374 9.654 -14.247 1.00 0.00 H new ATOM 252 N SER A 20 11.814 10.008 -6.641 1.00 0.00 N ATOM 253 CA SER A 20 12.696 11.112 -6.280 1.00 0.00 C ATOM 254 C SER A 20 12.898 11.173 -4.769 1.00 0.00 C ATOM 255 O SER A 20 12.300 10.402 -4.020 1.00 0.00 O ATOM 256 CB SER A 20 12.120 12.438 -6.782 1.00 0.00 C ATOM 257 OG SER A 20 13.123 13.437 -6.847 1.00 0.00 O ATOM 0 H SER A 20 11.242 9.656 -5.873 1.00 0.00 H new ATOM 0 HA SER A 20 13.663 10.942 -6.753 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.679 12.296 -7.769 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.319 12.765 -6.119 1.00 0.00 H new ATOM 0 HG SER A 20 12.730 14.274 -7.172 1.00 0.00 H new ATOM 263 N ALA A 21 13.747 12.096 -4.329 1.00 0.00 N ATOM 264 CA ALA A 21 14.029 12.260 -2.908 1.00 0.00 C ATOM 265 C ALA A 21 12.749 12.525 -2.122 1.00 0.00 C ATOM 266 O ALA A 21 12.616 12.108 -0.971 1.00 0.00 O ATOM 267 CB ALA A 21 15.024 13.390 -2.694 1.00 0.00 C ATOM 0 H ALA A 21 14.252 12.742 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 21 14.466 11.332 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.225 13.501 -1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.953 13.161 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.608 14.319 -3.083 1.00 0.00 H new ATOM 273 N THR A 22 11.807 13.221 -2.750 1.00 0.00 N ATOM 274 CA THR A 22 10.538 13.543 -2.110 1.00 0.00 C ATOM 275 C THR A 22 9.366 12.946 -2.880 1.00 0.00 C ATOM 276 O THR A 22 8.241 13.443 -2.801 1.00 0.00 O ATOM 277 CB THR A 22 10.338 15.066 -1.993 1.00 0.00 C ATOM 278 OG1 THR A 22 9.850 15.592 -3.232 1.00 0.00 O ATOM 279 CG2 THR A 22 11.643 15.756 -1.622 1.00 0.00 C ATOM 0 H THR A 22 11.899 13.573 -3.703 1.00 0.00 H new ATOM 0 HA THR A 22 10.570 13.110 -1.110 1.00 0.00 H new ATOM 0 HB THR A 22 9.608 15.256 -1.206 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.724 16.560 -3.149 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.477 16.831 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.997 15.374 -0.665 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.390 15.558 -2.390 1.00 0.00 H new ATOM 287 N CYS A 23 9.634 11.877 -3.622 1.00 0.00 N ATOM 288 CA CYS A 23 8.601 11.212 -4.407 1.00 0.00 C ATOM 289 C CYS A 23 8.647 9.702 -4.199 1.00 0.00 C ATOM 290 O CYS A 23 9.719 9.122 -4.024 1.00 0.00 O ATOM 291 CB CYS A 23 8.769 11.540 -5.892 1.00 0.00 C ATOM 292 SG CYS A 23 8.697 13.306 -6.271 1.00 0.00 S ATOM 0 H CYS A 23 10.558 11.452 -3.696 1.00 0.00 H new ATOM 0 HA CYS A 23 7.631 11.577 -4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.725 11.145 -6.234 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.991 11.026 -6.457 1.00 0.00 H new ATOM 0 HG CYS A 23 8.851 13.482 -7.550 1.00 0.00 H new ATOM 298 N ALA A 24 7.478 9.071 -4.215 1.00 0.00 N ATOM 299 CA ALA A 24 7.385 7.629 -4.028 1.00 0.00 C ATOM 300 C ALA A 24 6.091 7.081 -4.621 1.00 0.00 C ATOM 301 O ALA A 24 5.014 7.633 -4.399 1.00 0.00 O ATOM 302 CB ALA A 24 7.481 7.282 -2.550 1.00 0.00 C ATOM 0 H ALA A 24 6.581 9.536 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 24 8.219 7.164 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.410 6.202 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.435 7.631 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.667 7.764 -2.009 1.00 0.00 H new ATOM 308 N GLN A 25 6.205 5.991 -5.374 1.00 0.00 N ATOM 309 CA GLN A 25 5.043 5.371 -5.998 1.00 0.00 C ATOM 310 C GLN A 25 4.821 3.963 -5.456 1.00 0.00 C ATOM 311 O GLN A 25 5.770 3.276 -5.076 1.00 0.00 O ATOM 312 CB GLN A 25 5.218 5.324 -7.517 1.00 0.00 C ATOM 313 CG GLN A 25 3.981 4.840 -8.258 1.00 0.00 C ATOM 314 CD GLN A 25 4.182 4.791 -9.760 1.00 0.00 C ATOM 315 OE1 GLN A 25 5.256 5.121 -10.265 1.00 0.00 O ATOM 316 NE2 GLN A 25 3.148 4.378 -10.482 1.00 0.00 N ATOM 0 H GLN A 25 7.089 5.520 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 25 4.168 5.975 -5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.479 6.320 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.055 4.669 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.712 3.847 -7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.144 5.499 -8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.277 4.114 -10.021 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.224 4.324 -11.498 1.00 0.00 H new ATOM 325 N VAL A 26 3.563 3.538 -5.423 1.00 0.00 N ATOM 326 CA VAL A 26 3.216 2.210 -4.928 1.00 0.00 C ATOM 327 C VAL A 26 2.456 1.412 -5.981 1.00 0.00 C ATOM 328 O VAL A 26 1.777 1.981 -6.836 1.00 0.00 O ATOM 329 CB VAL A 26 2.362 2.294 -3.649 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.278 0.934 -2.974 1.00 0.00 C ATOM 331 CG2 VAL A 26 2.930 3.336 -2.697 1.00 0.00 C ATOM 0 H VAL A 26 2.766 4.094 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 26 4.153 1.703 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 26 1.353 2.599 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.671 1.012 -2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.823 0.216 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.280 0.597 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.314 3.382 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.949 3.063 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.934 4.311 -3.185 1.00 0.00 H new ATOM 341 N ASN A 27 2.576 0.090 -5.915 1.00 0.00 N ATOM 342 CA ASN A 27 1.900 -0.788 -6.863 1.00 0.00 C ATOM 343 C ASN A 27 1.506 -2.105 -6.200 1.00 0.00 C ATOM 344 O ASN A 27 2.348 -2.800 -5.632 1.00 0.00 O ATOM 345 CB ASN A 27 2.801 -1.060 -8.069 1.00 0.00 C ATOM 346 CG ASN A 27 2.939 0.150 -8.972 1.00 0.00 C ATOM 347 OD1 ASN A 27 3.670 1.156 -8.506 1.00 0.00 O flip ATOM 348 ND2 ASN A 27 2.395 0.181 -10.077 1.00 0.00 N flip ATOM 0 H ASN A 27 3.135 -0.397 -5.215 1.00 0.00 H new ATOM 0 HA ASN A 27 0.993 -0.287 -7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.788 -1.364 -7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.395 -1.893 -8.642 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.842 -0.615 -10.396 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.498 1.002 -10.673 1.00 0.00 H new ATOM 355 N TRP A 28 0.224 -2.440 -6.279 1.00 0.00 N ATOM 356 CA TRP A 28 -0.281 -3.674 -5.688 1.00 0.00 C ATOM 357 C TRP A 28 -1.161 -4.431 -6.677 1.00 0.00 C ATOM 358 O TRP A 28 -1.342 -4.001 -7.815 1.00 0.00 O ATOM 359 CB TRP A 28 -1.070 -3.367 -4.414 1.00 0.00 C ATOM 360 CG TRP A 28 -2.305 -2.555 -4.662 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.559 -3.029 -4.928 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.404 -1.127 -4.669 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.431 -1.981 -5.100 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.748 -0.804 -4.945 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.490 -0.090 -4.466 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.195 0.513 -5.024 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.936 1.216 -4.546 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.279 1.508 -4.823 1.00 0.00 C ATOM 0 H TRP A 28 -0.485 -1.875 -6.746 1.00 0.00 H new ATOM 0 HA TRP A 28 0.572 -4.303 -5.435 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.350 -4.305 -3.934 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.426 -2.832 -3.716 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.825 -4.074 -4.993 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.426 -2.066 -5.309 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.454 -0.305 -4.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.229 0.740 -5.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.238 2.025 -4.392 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.596 2.539 -4.879 1.00 0.00 H new ATOM 379 N GLU A 29 -1.705 -5.560 -6.234 1.00 0.00 N ATOM 380 CA GLU A 29 -2.565 -6.377 -7.082 1.00 0.00 C ATOM 381 C GLU A 29 -3.543 -7.192 -6.240 1.00 0.00 C ATOM 382 O GLU A 29 -3.443 -7.229 -5.014 1.00 0.00 O ATOM 383 CB GLU A 29 -1.723 -7.311 -7.953 1.00 0.00 C ATOM 384 CG GLU A 29 -1.001 -6.601 -9.086 1.00 0.00 C ATOM 385 CD GLU A 29 -0.539 -7.554 -10.171 1.00 0.00 C ATOM 386 OE1 GLU A 29 0.487 -8.235 -9.963 1.00 0.00 O ATOM 387 OE2 GLU A 29 -1.203 -7.618 -11.226 1.00 0.00 O ATOM 0 H GLU A 29 -1.566 -5.929 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.136 -5.709 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.989 -7.816 -7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.368 -8.083 -8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.664 -5.854 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.139 -6.068 -8.685 1.00 0.00 H new ATOM 394 N VAL A 30 -4.489 -7.844 -6.909 1.00 0.00 N ATOM 395 CA VAL A 30 -5.486 -8.659 -6.225 1.00 0.00 C ATOM 396 C VAL A 30 -4.989 -10.087 -6.033 1.00 0.00 C ATOM 397 O VAL A 30 -4.498 -10.730 -6.962 1.00 0.00 O ATOM 398 CB VAL A 30 -6.816 -8.688 -6.999 1.00 0.00 C ATOM 399 CG1 VAL A 30 -7.875 -9.447 -6.215 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.282 -7.274 -7.311 1.00 0.00 C ATOM 0 H VAL A 30 -4.586 -7.824 -7.924 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.654 -8.202 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.655 -9.209 -7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.808 -9.456 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.541 -10.471 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.037 -8.958 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.224 -7.314 -7.858 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.426 -6.725 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.531 -6.769 -7.918 1.00 0.00 H new ATOM 410 N PRO A 31 -5.120 -10.600 -4.800 1.00 0.00 N ATOM 411 CA PRO A 31 -4.691 -11.959 -4.458 1.00 0.00 C ATOM 412 C PRO A 31 -5.574 -13.024 -5.099 1.00 0.00 C ATOM 413 O PRO A 31 -6.456 -12.713 -5.902 1.00 0.00 O ATOM 414 CB PRO A 31 -4.825 -12.000 -2.934 1.00 0.00 C ATOM 415 CG PRO A 31 -5.860 -10.975 -2.617 1.00 0.00 C ATOM 416 CD PRO A 31 -5.696 -9.891 -3.646 1.00 0.00 C ATOM 0 HA PRO A 31 -3.684 -12.171 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.128 -12.989 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.877 -11.770 -2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.861 -11.405 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.724 -10.581 -1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.650 -9.426 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.038 -9.098 -3.292 1.00 0.00 H new ATOM 424 N LEU A 32 -5.332 -14.280 -4.742 1.00 0.00 N ATOM 425 CA LEU A 32 -6.107 -15.393 -5.282 1.00 0.00 C ATOM 426 C LEU A 32 -7.329 -15.677 -4.416 1.00 0.00 C ATOM 427 O LEU A 32 -7.239 -16.379 -3.409 1.00 0.00 O ATOM 428 CB LEU A 32 -5.236 -16.645 -5.382 1.00 0.00 C ATOM 429 CG LEU A 32 -5.828 -17.814 -6.170 1.00 0.00 C ATOM 430 CD1 LEU A 32 -6.001 -17.438 -7.634 1.00 0.00 C ATOM 431 CD2 LEU A 32 -4.949 -19.049 -6.035 1.00 0.00 C ATOM 0 H LEU A 32 -4.605 -14.554 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.449 -15.115 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.287 -16.367 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.013 -16.990 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.810 -18.045 -5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.423 -18.282 -8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.672 -16.583 -7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.032 -17.179 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.386 -19.871 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.953 -18.831 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.877 -19.331 -4.985 1.00 0.00 H new ATOM 443 N SER A 33 -8.473 -15.128 -4.815 1.00 0.00 N ATOM 444 CA SER A 33 -9.713 -15.322 -4.075 1.00 0.00 C ATOM 445 C SER A 33 -10.694 -16.177 -4.871 1.00 0.00 C ATOM 446 O SER A 33 -11.182 -15.766 -5.922 1.00 0.00 O ATOM 447 CB SER A 33 -10.351 -13.970 -3.744 1.00 0.00 C ATOM 448 OG SER A 33 -9.432 -13.124 -3.074 1.00 0.00 O ATOM 0 H SER A 33 -8.565 -14.545 -5.647 1.00 0.00 H new ATOM 0 HA SER A 33 -9.475 -15.842 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.690 -13.490 -4.662 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.232 -14.123 -3.120 1.00 0.00 H new ATOM 0 HG SER A 33 -9.725 -12.193 -3.156 1.00 0.00 H new ATOM 454 N ASN A 34 -10.977 -17.371 -4.360 1.00 0.00 N ATOM 455 CA ASN A 34 -11.898 -18.287 -5.024 1.00 0.00 C ATOM 456 C ASN A 34 -13.256 -18.291 -4.327 1.00 0.00 C ATOM 457 O ASN A 34 -13.812 -19.348 -4.035 1.00 0.00 O ATOM 458 CB ASN A 34 -11.318 -19.702 -5.042 1.00 0.00 C ATOM 459 CG ASN A 34 -10.502 -20.010 -3.801 1.00 0.00 C ATOM 460 OD1 ASN A 34 -11.009 -20.589 -2.840 1.00 0.00 O ATOM 461 ND2 ASN A 34 -9.233 -19.622 -3.818 1.00 0.00 N ATOM 0 H ASN A 34 -10.582 -17.727 -3.489 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.036 -17.945 -6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.131 -20.423 -5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.691 -19.823 -5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.634 -19.801 -3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.856 -19.145 -4.637 1.00 0.00 H new ATOM 468 N GLY A 35 -13.785 -17.100 -4.066 1.00 0.00 N ATOM 469 CA GLY A 35 -15.073 -16.988 -3.406 1.00 0.00 C ATOM 470 C GLY A 35 -15.546 -15.552 -3.297 1.00 0.00 C ATOM 471 O GLY A 35 -16.660 -15.224 -3.706 1.00 0.00 O ATOM 0 H GLY A 35 -13.345 -16.210 -4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.812 -17.570 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.005 -17.422 -2.408 1.00 0.00 H new ATOM 475 N THR A 36 -14.698 -14.691 -2.741 1.00 0.00 N ATOM 476 CA THR A 36 -15.036 -13.284 -2.577 1.00 0.00 C ATOM 477 C THR A 36 -14.324 -12.422 -3.613 1.00 0.00 C ATOM 478 O THR A 36 -13.174 -12.683 -3.967 1.00 0.00 O ATOM 479 CB THR A 36 -14.670 -12.779 -1.168 1.00 0.00 C ATOM 480 OG1 THR A 36 -13.311 -13.114 -0.866 1.00 0.00 O ATOM 481 CG2 THR A 36 -15.592 -13.385 -0.121 1.00 0.00 C ATOM 0 H THR A 36 -13.772 -14.945 -2.397 1.00 0.00 H new ATOM 0 HA THR A 36 -16.114 -13.200 -2.717 1.00 0.00 H new ATOM 0 HB THR A 36 -14.789 -11.696 -1.151 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.291 -13.808 -0.174 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.315 -13.014 0.866 1.00 0.00 H new ATOM 0 HG22 THR A 36 -16.623 -13.105 -0.338 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.500 -14.471 -0.140 1.00 0.00 H new ATOM 489 N ASP A 37 -15.014 -11.395 -4.096 1.00 0.00 N ATOM 490 CA ASP A 37 -14.446 -10.493 -5.091 1.00 0.00 C ATOM 491 C ASP A 37 -14.204 -9.109 -4.496 1.00 0.00 C ATOM 492 O ASP A 37 -15.144 -8.348 -4.266 1.00 0.00 O ATOM 493 CB ASP A 37 -15.374 -10.386 -6.302 1.00 0.00 C ATOM 494 CG ASP A 37 -15.074 -11.435 -7.355 1.00 0.00 C ATOM 495 OD1 ASP A 37 -13.913 -11.505 -7.809 1.00 0.00 O ATOM 496 OD2 ASP A 37 -16.001 -12.185 -7.727 1.00 0.00 O ATOM 0 H ASP A 37 -15.967 -11.166 -3.815 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.488 -10.903 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.408 -10.490 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.278 -9.394 -6.744 1.00 0.00 H new ATOM 501 N VAL A 38 -12.938 -8.789 -4.248 1.00 0.00 N ATOM 502 CA VAL A 38 -12.573 -7.497 -3.679 1.00 0.00 C ATOM 503 C VAL A 38 -13.205 -6.353 -4.465 1.00 0.00 C ATOM 504 O VAL A 38 -13.128 -6.310 -5.693 1.00 0.00 O ATOM 505 CB VAL A 38 -11.044 -7.306 -3.656 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.669 -6.110 -2.795 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.358 -8.569 -3.158 1.00 0.00 C ATOM 0 H VAL A 38 -12.148 -9.407 -4.432 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.949 -7.483 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.703 -7.112 -4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.586 -5.990 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.132 -5.210 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.021 -6.271 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.279 -8.417 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.702 -8.796 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.601 -9.400 -3.820 1.00 0.00 H new ATOM 517 N THR A 39 -13.831 -5.426 -3.747 1.00 0.00 N ATOM 518 CA THR A 39 -14.478 -4.281 -4.376 1.00 0.00 C ATOM 519 C THR A 39 -13.736 -2.988 -4.057 1.00 0.00 C ATOM 520 O THR A 39 -13.743 -2.046 -4.849 1.00 0.00 O ATOM 521 CB THR A 39 -15.943 -4.144 -3.921 1.00 0.00 C ATOM 522 OG1 THR A 39 -16.018 -4.167 -2.492 1.00 0.00 O ATOM 523 CG2 THR A 39 -16.794 -5.266 -4.496 1.00 0.00 C ATOM 0 H THR A 39 -13.904 -5.446 -2.730 1.00 0.00 H new ATOM 0 HA THR A 39 -14.454 -4.455 -5.452 1.00 0.00 H new ATOM 0 HB THR A 39 -16.326 -3.192 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.901 -3.258 -2.144 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.825 -5.149 -4.161 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.759 -5.228 -5.585 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.409 -6.227 -4.154 1.00 0.00 H new ATOM 531 N GLU A 40 -13.098 -2.949 -2.891 1.00 0.00 N ATOM 532 CA GLU A 40 -12.351 -1.769 -2.469 1.00 0.00 C ATOM 533 C GLU A 40 -10.972 -2.157 -1.944 1.00 0.00 C ATOM 534 O GLU A 40 -10.734 -3.310 -1.585 1.00 0.00 O ATOM 535 CB GLU A 40 -13.124 -1.008 -1.391 1.00 0.00 C ATOM 536 CG GLU A 40 -14.100 0.015 -1.948 1.00 0.00 C ATOM 537 CD GLU A 40 -14.879 -0.509 -3.139 1.00 0.00 C ATOM 538 OE1 GLU A 40 -15.606 -1.511 -2.979 1.00 0.00 O ATOM 539 OE2 GLU A 40 -14.760 0.083 -4.232 1.00 0.00 O ATOM 0 H GLU A 40 -13.083 -3.719 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.221 -1.123 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.671 -1.722 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.415 -0.502 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.797 0.310 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.553 0.911 -2.242 1.00 0.00 H new ATOM 546 N TYR A 41 -10.067 -1.186 -1.901 1.00 0.00 N ATOM 547 CA TYR A 41 -8.711 -1.425 -1.424 1.00 0.00 C ATOM 548 C TYR A 41 -8.240 -0.282 -0.528 1.00 0.00 C ATOM 549 O TYR A 41 -8.113 0.858 -0.973 1.00 0.00 O ATOM 550 CB TYR A 41 -7.753 -1.591 -2.604 1.00 0.00 C ATOM 551 CG TYR A 41 -8.195 -2.639 -3.600 1.00 0.00 C ATOM 552 CD1 TYR A 41 -9.337 -2.455 -4.370 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.472 -3.814 -3.770 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.746 -3.411 -5.280 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.872 -4.773 -4.679 1.00 0.00 C ATOM 556 CZ TYR A 41 -9.011 -4.567 -5.432 1.00 0.00 C ATOM 557 OH TYR A 41 -9.413 -5.521 -6.337 1.00 0.00 O ATOM 0 H TYR A 41 -10.248 -0.225 -2.191 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.716 -2.344 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.652 -0.634 -3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.766 -1.855 -2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.915 -1.550 -4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.582 -3.980 -3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.637 -3.253 -5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.297 -5.679 -4.800 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.136 -5.254 -7.238 1.00 0.00 H new ATOM 567 N ARG A 42 -7.979 -0.599 0.737 1.00 0.00 N ATOM 568 CA ARG A 42 -7.522 0.399 1.695 1.00 0.00 C ATOM 569 C ARG A 42 -5.999 0.416 1.778 1.00 0.00 C ATOM 570 O ARG A 42 -5.385 -0.499 2.330 1.00 0.00 O ATOM 571 CB ARG A 42 -8.115 0.118 3.077 1.00 0.00 C ATOM 572 CG ARG A 42 -9.494 0.726 3.283 1.00 0.00 C ATOM 573 CD ARG A 42 -10.083 0.327 4.627 1.00 0.00 C ATOM 574 NE ARG A 42 -11.523 0.568 4.686 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.301 0.129 5.669 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.781 -0.568 6.670 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.602 0.389 5.653 1.00 0.00 N ATOM 0 H ARG A 42 -8.077 -1.539 1.121 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.861 1.377 1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.177 -0.960 3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.439 0.505 3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.427 1.812 3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.159 0.402 2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.884 -0.729 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.589 0.888 5.420 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.954 1.102 3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.781 -0.768 6.687 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.381 -0.904 7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.005 0.926 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.199 0.052 6.408 1.00 0.00 H new ATOM 591 N LEU A 43 -5.393 1.461 1.226 1.00 0.00 N ATOM 592 CA LEU A 43 -3.941 1.598 1.236 1.00 0.00 C ATOM 593 C LEU A 43 -3.487 2.505 2.375 1.00 0.00 C ATOM 594 O LEU A 43 -3.804 3.693 2.399 1.00 0.00 O ATOM 595 CB LEU A 43 -3.451 2.157 -0.101 1.00 0.00 C ATOM 596 CG LEU A 43 -1.939 2.326 -0.246 1.00 0.00 C ATOM 597 CD1 LEU A 43 -1.273 0.983 -0.501 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.615 3.305 -1.364 1.00 0.00 C ATOM 0 H LEU A 43 -5.885 2.227 0.765 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.510 0.609 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.800 1.499 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.921 3.127 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.548 2.731 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.197 1.124 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.475 0.312 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.669 0.549 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.534 3.412 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.020 2.931 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.059 4.275 -1.138 1.00 0.00 H new ATOM 610 N GLU A 44 -2.741 1.935 3.317 1.00 0.00 N ATOM 611 CA GLU A 44 -2.243 2.694 4.459 1.00 0.00 C ATOM 612 C GLU A 44 -0.780 3.080 4.259 1.00 0.00 C ATOM 613 O GLU A 44 0.045 2.250 3.878 1.00 0.00 O ATOM 614 CB GLU A 44 -2.396 1.881 5.745 1.00 0.00 C ATOM 615 CG GLU A 44 -3.724 2.101 6.452 1.00 0.00 C ATOM 616 CD GLU A 44 -3.703 1.634 7.894 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.305 2.432 8.769 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.083 0.472 8.146 1.00 0.00 O ATOM 0 H GLU A 44 -2.469 0.952 3.312 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.834 3.606 4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.291 0.822 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.585 2.138 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.976 3.161 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.510 1.571 5.914 1.00 0.00 H new ATOM 625 N TRP A 45 -0.468 4.344 4.518 1.00 0.00 N ATOM 626 CA TRP A 45 0.895 4.841 4.366 1.00 0.00 C ATOM 627 C TRP A 45 1.225 5.865 5.447 1.00 0.00 C ATOM 628 O TRP A 45 0.491 6.833 5.641 1.00 0.00 O ATOM 629 CB TRP A 45 1.082 5.463 2.982 1.00 0.00 C ATOM 630 CG TRP A 45 2.451 6.035 2.767 1.00 0.00 C ATOM 631 CD1 TRP A 45 2.989 7.127 3.387 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.452 5.546 1.870 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.266 7.345 2.929 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.573 6.390 1.997 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.512 4.478 0.970 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.739 6.196 1.259 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.669 4.288 0.239 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.769 5.142 0.387 1.00 0.00 C ATOM 0 H TRP A 45 -1.140 5.044 4.834 1.00 0.00 H new ATOM 0 HA TRP A 45 1.577 3.997 4.472 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.889 4.706 2.222 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.341 6.250 2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.485 7.730 4.128 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.885 8.096 3.234 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.669 3.814 0.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.588 6.854 1.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.726 3.466 -0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.659 4.965 -0.199 1.00 0.00 H new ATOM 649 N GLY A 46 2.334 5.646 6.146 1.00 0.00 N ATOM 650 CA GLY A 46 2.740 6.559 7.198 1.00 0.00 C ATOM 651 C GLY A 46 4.245 6.731 7.268 1.00 0.00 C ATOM 652 O GLY A 46 4.982 6.132 6.486 1.00 0.00 O ATOM 0 H GLY A 46 2.959 4.853 6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.274 7.530 7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.375 6.190 8.156 1.00 0.00 H new ATOM 656 N GLY A 47 4.702 7.555 8.206 1.00 0.00 N ATOM 657 CA GLY A 47 6.126 7.792 8.355 1.00 0.00 C ATOM 658 C GLY A 47 6.849 6.610 8.971 1.00 0.00 C ATOM 659 O GLY A 47 7.711 6.001 8.338 1.00 0.00 O ATOM 0 H GLY A 47 4.112 8.062 8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.559 8.010 7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.281 8.673 8.977 1.00 0.00 H new ATOM 663 N VAL A 48 6.497 6.286 10.211 1.00 0.00 N ATOM 664 CA VAL A 48 7.118 5.170 10.915 1.00 0.00 C ATOM 665 C VAL A 48 6.122 4.038 11.140 1.00 0.00 C ATOM 666 O VAL A 48 4.911 4.260 11.157 1.00 0.00 O ATOM 667 CB VAL A 48 7.692 5.612 12.275 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.569 5.877 13.267 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.653 4.564 12.813 1.00 0.00 C ATOM 0 H VAL A 48 5.785 6.780 10.749 1.00 0.00 H new ATOM 0 HA VAL A 48 7.932 4.813 10.284 1.00 0.00 H new ATOM 0 HB VAL A 48 8.246 6.540 12.132 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.993 6.188 14.222 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.923 6.666 12.883 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.986 4.967 13.408 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.049 4.893 13.774 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.126 3.619 12.942 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.474 4.428 12.109 1.00 0.00 H new ATOM 679 N GLU A 49 6.639 2.826 11.312 1.00 0.00 N ATOM 680 CA GLU A 49 5.793 1.659 11.536 1.00 0.00 C ATOM 681 C GLU A 49 4.890 1.867 12.748 1.00 0.00 C ATOM 682 O GLU A 49 3.798 1.306 12.826 1.00 0.00 O ATOM 683 CB GLU A 49 6.653 0.409 11.732 1.00 0.00 C ATOM 684 CG GLU A 49 7.379 0.374 13.066 1.00 0.00 C ATOM 685 CD GLU A 49 8.651 1.202 13.061 1.00 0.00 C ATOM 686 OE1 GLU A 49 8.993 1.753 11.994 1.00 0.00 O ATOM 687 OE2 GLU A 49 9.303 1.295 14.121 1.00 0.00 O ATOM 0 H GLU A 49 7.639 2.626 11.301 1.00 0.00 H new ATOM 0 HA GLU A 49 5.164 1.523 10.657 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.020 -0.474 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.386 0.352 10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.714 0.742 13.847 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.623 -0.659 13.315 1.00 0.00 H new ATOM 694 N GLY A 50 5.357 2.676 13.695 1.00 0.00 N ATOM 695 CA GLY A 50 4.580 2.942 14.891 1.00 0.00 C ATOM 696 C GLY A 50 3.449 3.918 14.642 1.00 0.00 C ATOM 697 O GLY A 50 2.543 4.052 15.466 1.00 0.00 O ATOM 0 H GLY A 50 6.259 3.151 13.655 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.171 2.006 15.270 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.236 3.340 15.665 1.00 0.00 H new ATOM 701 N SER A 51 3.499 4.603 13.505 1.00 0.00 N ATOM 702 CA SER A 51 2.471 5.576 13.152 1.00 0.00 C ATOM 703 C SER A 51 2.103 5.468 11.675 1.00 0.00 C ATOM 704 O SER A 51 2.864 5.886 10.802 1.00 0.00 O ATOM 705 CB SER A 51 2.953 6.995 13.466 1.00 0.00 C ATOM 706 OG SER A 51 2.635 7.358 14.798 1.00 0.00 O ATOM 0 H SER A 51 4.240 4.503 12.812 1.00 0.00 H new ATOM 0 HA SER A 51 1.583 5.360 13.746 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.031 7.058 13.316 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.493 7.700 12.774 1.00 0.00 H new ATOM 0 HG SER A 51 2.955 8.267 14.974 1.00 0.00 H new ATOM 712 N MET A 52 0.932 4.903 11.404 1.00 0.00 N ATOM 713 CA MET A 52 0.462 4.739 10.033 1.00 0.00 C ATOM 714 C MET A 52 -1.044 4.963 9.945 1.00 0.00 C ATOM 715 O MET A 52 -1.782 4.658 10.882 1.00 0.00 O ATOM 716 CB MET A 52 0.814 3.344 9.513 1.00 0.00 C ATOM 717 CG MET A 52 2.309 3.102 9.385 1.00 0.00 C ATOM 718 SD MET A 52 2.694 1.459 8.753 1.00 0.00 S ATOM 719 CE MET A 52 2.129 1.605 7.059 1.00 0.00 C ATOM 0 H MET A 52 0.291 4.551 12.115 1.00 0.00 H new ATOM 0 HA MET A 52 0.959 5.485 9.413 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.390 2.597 10.184 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.346 3.200 8.539 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.739 3.852 8.722 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.779 3.231 10.360 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.546 0.792 6.465 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.041 1.552 7.033 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.456 2.560 6.647 1.00 0.00 H new ATOM 729 N GLN A 53 -1.493 5.497 8.814 1.00 0.00 N ATOM 730 CA GLN A 53 -2.912 5.762 8.605 1.00 0.00 C ATOM 731 C GLN A 53 -3.272 5.663 7.126 1.00 0.00 C ATOM 732 O GLN A 53 -2.395 5.661 6.263 1.00 0.00 O ATOM 733 CB GLN A 53 -3.278 7.148 9.140 1.00 0.00 C ATOM 734 CG GLN A 53 -3.112 7.282 10.645 1.00 0.00 C ATOM 735 CD GLN A 53 -3.304 8.706 11.128 1.00 0.00 C ATOM 736 OE1 GLN A 53 -3.169 9.659 10.360 1.00 0.00 O ATOM 737 NE2 GLN A 53 -3.624 8.859 12.408 1.00 0.00 N ATOM 0 H GLN A 53 -0.895 5.755 8.029 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.481 5.008 9.150 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.656 7.895 8.646 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.312 7.369 8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.830 6.633 11.145 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.118 6.937 10.929 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.726 8.042 13.009 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.768 9.794 12.789 1.00 0.00 H new ATOM 746 N ILE A 54 -4.568 5.581 6.842 1.00 0.00 N ATOM 747 CA ILE A 54 -5.044 5.484 5.468 1.00 0.00 C ATOM 748 C ILE A 54 -4.895 6.813 4.738 1.00 0.00 C ATOM 749 O ILE A 54 -5.149 7.877 5.307 1.00 0.00 O ATOM 750 CB ILE A 54 -6.519 5.042 5.413 1.00 0.00 C ATOM 751 CG1 ILE A 54 -6.674 3.634 5.991 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.034 5.093 3.983 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.911 2.913 5.501 1.00 0.00 C ATOM 0 H ILE A 54 -5.307 5.580 7.545 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.429 4.732 4.974 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.112 5.729 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.794 3.045 5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.707 3.698 7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.077 4.778 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.954 6.112 3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.440 4.426 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.956 1.921 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.798 3.480 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.871 2.817 4.416 1.00 0.00 H new ATOM 765 N CYS A 55 -4.486 6.748 3.477 1.00 0.00 N ATOM 766 CA CYS A 55 -4.304 7.948 2.668 1.00 0.00 C ATOM 767 C CYS A 55 -5.084 7.846 1.360 1.00 0.00 C ATOM 768 O CYS A 55 -5.487 8.857 0.785 1.00 0.00 O ATOM 769 CB CYS A 55 -2.821 8.172 2.374 1.00 0.00 C ATOM 770 SG CYS A 55 -1.937 9.061 3.677 1.00 0.00 S ATOM 0 H CYS A 55 -4.274 5.876 2.992 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.687 8.798 3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.342 7.205 2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.726 8.728 1.441 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.690 9.200 3.338 1.00 0.00 H new ATOM 776 N TYR A 56 -5.292 6.618 0.897 1.00 0.00 N ATOM 777 CA TYR A 56 -6.019 6.384 -0.345 1.00 0.00 C ATOM 778 C TYR A 56 -7.088 5.310 -0.156 1.00 0.00 C ATOM 779 O TYR A 56 -6.828 4.256 0.425 1.00 0.00 O ATOM 780 CB TYR A 56 -5.054 5.968 -1.456 1.00 0.00 C ATOM 781 CG TYR A 56 -5.743 5.588 -2.746 1.00 0.00 C ATOM 782 CD1 TYR A 56 -6.252 6.561 -3.597 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.886 4.256 -3.115 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.884 6.219 -4.777 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.513 3.904 -4.294 1.00 0.00 C ATOM 786 CZ TYR A 56 -7.011 4.890 -5.122 1.00 0.00 C ATOM 787 OH TYR A 56 -7.639 4.543 -6.296 1.00 0.00 O ATOM 0 H TYR A 56 -4.968 5.770 1.363 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.510 7.315 -0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.363 6.788 -1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.458 5.124 -1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.152 7.603 -3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.500 3.482 -2.468 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.276 6.988 -5.426 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.613 2.864 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.510 5.253 -6.959 1.00 0.00 H new ATOM 797 N CYS A 57 -8.288 5.587 -0.652 1.00 0.00 N ATOM 798 CA CYS A 57 -9.397 4.645 -0.539 1.00 0.00 C ATOM 799 C CYS A 57 -10.172 4.558 -1.850 1.00 0.00 C ATOM 800 O CYS A 57 -10.795 5.527 -2.281 1.00 0.00 O ATOM 801 CB CYS A 57 -10.334 5.064 0.595 1.00 0.00 C ATOM 802 SG CYS A 57 -9.927 4.334 2.197 1.00 0.00 S ATOM 0 H CYS A 57 -8.519 6.455 -1.136 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.985 3.661 -0.316 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.313 6.150 0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.354 4.786 0.330 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.774 4.750 3.091 1.00 0.00 H new ATOM 808 N GLY A 58 -10.126 3.388 -2.482 1.00 0.00 N ATOM 809 CA GLY A 58 -10.826 3.197 -3.738 1.00 0.00 C ATOM 810 C GLY A 58 -10.464 1.886 -4.408 1.00 0.00 C ATOM 811 O GLY A 58 -9.568 1.166 -3.968 1.00 0.00 O ATOM 0 H GLY A 58 -9.617 2.571 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.901 3.226 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.592 4.022 -4.410 1.00 0.00 H new ATOM 815 N PRO A 59 -11.173 1.560 -5.501 1.00 0.00 N ATOM 816 CA PRO A 59 -10.941 0.325 -6.255 1.00 0.00 C ATOM 817 C PRO A 59 -9.612 0.345 -7.003 1.00 0.00 C ATOM 818 O PRO A 59 -9.106 -0.696 -7.418 1.00 0.00 O ATOM 819 CB PRO A 59 -12.110 0.287 -7.242 1.00 0.00 C ATOM 820 CG PRO A 59 -12.512 1.712 -7.408 1.00 0.00 C ATOM 821 CD PRO A 59 -12.255 2.371 -6.081 1.00 0.00 C ATOM 0 HA PRO A 59 -10.888 -0.547 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.811 -0.153 -8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.934 -0.314 -6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.936 2.191 -8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.563 1.791 -7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.956 3.412 -6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.144 2.365 -5.450 1.00 0.00 H new ATOM 829 N GLY A 60 -9.051 1.539 -7.174 1.00 0.00 N ATOM 830 CA GLY A 60 -7.786 1.672 -7.873 1.00 0.00 C ATOM 831 C GLY A 60 -6.788 0.605 -7.471 1.00 0.00 C ATOM 832 O GLY A 60 -6.955 -0.060 -6.448 1.00 0.00 O ATOM 0 H GLY A 60 -9.450 2.416 -6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.960 1.616 -8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.363 2.656 -7.669 1.00 0.00 H new ATOM 836 N LEU A 61 -5.745 0.439 -8.278 1.00 0.00 N ATOM 837 CA LEU A 61 -4.715 -0.557 -8.002 1.00 0.00 C ATOM 838 C LEU A 61 -3.349 0.102 -7.846 1.00 0.00 C ATOM 839 O LEU A 61 -2.419 -0.495 -7.304 1.00 0.00 O ATOM 840 CB LEU A 61 -4.668 -1.595 -9.125 1.00 0.00 C ATOM 841 CG LEU A 61 -5.932 -2.433 -9.319 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.842 -3.246 -10.601 1.00 0.00 C ATOM 843 CD2 LEU A 61 -6.156 -3.344 -8.120 1.00 0.00 C ATOM 0 H LEU A 61 -5.590 0.981 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.967 -1.055 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.451 -1.079 -10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.834 -2.271 -8.933 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.784 -1.758 -9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.750 -3.836 -10.722 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.730 -2.573 -11.451 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.981 -3.912 -10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.060 -3.933 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.302 -4.012 -8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.267 -2.740 -7.220 1.00 0.00 H new ATOM 855 N SER A 62 -3.235 1.338 -8.322 1.00 0.00 N ATOM 856 CA SER A 62 -1.983 2.078 -8.235 1.00 0.00 C ATOM 857 C SER A 62 -2.213 3.473 -7.660 1.00 0.00 C ATOM 858 O SER A 62 -3.206 4.129 -7.974 1.00 0.00 O ATOM 859 CB SER A 62 -1.333 2.186 -9.616 1.00 0.00 C ATOM 860 OG SER A 62 -2.265 2.637 -10.585 1.00 0.00 O ATOM 0 H SER A 62 -3.995 1.848 -8.772 1.00 0.00 H new ATOM 0 HA SER A 62 -1.315 1.534 -7.567 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.489 2.874 -9.571 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.937 1.215 -9.912 1.00 0.00 H new ATOM 0 HG SER A 62 -1.825 2.699 -11.458 1.00 0.00 H new ATOM 866 N TYR A 63 -1.289 3.917 -6.815 1.00 0.00 N ATOM 867 CA TYR A 63 -1.393 5.232 -6.192 1.00 0.00 C ATOM 868 C TYR A 63 -0.014 5.865 -6.025 1.00 0.00 C ATOM 869 O TYR A 63 0.911 5.234 -5.515 1.00 0.00 O ATOM 870 CB TYR A 63 -2.084 5.123 -4.833 1.00 0.00 C ATOM 871 CG TYR A 63 -2.315 6.458 -4.162 1.00 0.00 C ATOM 872 CD1 TYR A 63 -3.458 7.203 -4.429 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.391 6.976 -3.264 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.673 8.423 -3.819 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.598 8.195 -2.648 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.741 8.915 -2.929 1.00 0.00 C ATOM 877 OH TYR A 63 -2.951 10.130 -2.319 1.00 0.00 O ATOM 0 H TYR A 63 -0.460 3.387 -6.546 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.990 5.869 -6.845 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.042 4.620 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.480 4.496 -4.177 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.190 6.821 -5.125 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.494 6.416 -3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.566 8.989 -4.038 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.870 8.582 -1.951 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.201 10.330 -1.721 1.00 0.00 H new ATOM 887 N GLU A 64 0.112 7.115 -6.458 1.00 0.00 N ATOM 888 CA GLU A 64 1.377 7.833 -6.357 1.00 0.00 C ATOM 889 C GLU A 64 1.407 8.709 -5.107 1.00 0.00 C ATOM 890 O GLU A 64 0.394 9.294 -4.723 1.00 0.00 O ATOM 891 CB GLU A 64 1.601 8.694 -7.602 1.00 0.00 C ATOM 892 CG GLU A 64 2.414 9.950 -7.336 1.00 0.00 C ATOM 893 CD GLU A 64 1.551 11.126 -6.923 1.00 0.00 C ATOM 894 OE1 GLU A 64 1.068 11.850 -7.819 1.00 0.00 O ATOM 895 OE2 GLU A 64 1.360 11.325 -5.705 1.00 0.00 O ATOM 0 H GLU A 64 -0.645 7.651 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 64 2.178 7.098 -6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.108 8.097 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.633 8.979 -8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.144 9.747 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.974 10.213 -8.233 1.00 0.00 H new ATOM 902 N ILE A 65 2.574 8.792 -4.478 1.00 0.00 N ATOM 903 CA ILE A 65 2.736 9.596 -3.273 1.00 0.00 C ATOM 904 C ILE A 65 3.879 10.595 -3.427 1.00 0.00 C ATOM 905 O ILE A 65 4.909 10.289 -4.029 1.00 0.00 O ATOM 906 CB ILE A 65 3.003 8.714 -2.040 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.745 7.926 -1.666 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.468 9.566 -0.869 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.034 6.660 -0.891 1.00 0.00 C ATOM 0 H ILE A 65 3.421 8.313 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 65 1.801 10.137 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 65 3.794 8.005 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.089 8.564 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.203 7.670 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.652 8.927 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.387 10.085 -1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.698 10.297 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.097 6.153 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.664 6.003 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.549 6.911 0.036 1.00 0.00 H new ATOM 921 N LYS A 66 3.690 11.789 -2.879 1.00 0.00 N ATOM 922 CA LYS A 66 4.705 12.834 -2.951 1.00 0.00 C ATOM 923 C LYS A 66 4.788 13.606 -1.638 1.00 0.00 C ATOM 924 O LYS A 66 4.084 13.294 -0.679 1.00 0.00 O ATOM 925 CB LYS A 66 4.397 13.795 -4.101 1.00 0.00 C ATOM 926 CG LYS A 66 4.866 13.294 -5.456 1.00 0.00 C ATOM 927 CD LYS A 66 4.955 14.423 -6.468 1.00 0.00 C ATOM 928 CE LYS A 66 3.608 14.695 -7.120 1.00 0.00 C ATOM 929 NZ LYS A 66 3.559 16.042 -7.754 1.00 0.00 N ATOM 0 H LYS A 66 2.843 12.058 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 66 5.668 12.357 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.322 13.969 -4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.868 14.756 -3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.842 12.820 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.178 12.531 -5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.311 15.328 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.687 14.169 -7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.408 13.932 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.820 14.618 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.625 16.188 -8.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.724 16.772 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.294 16.108 -8.487 1.00 0.00 H new ATOM 943 N GLY A 67 5.651 14.615 -1.604 1.00 0.00 N ATOM 944 CA GLY A 67 5.808 15.417 -0.404 1.00 0.00 C ATOM 945 C GLY A 67 6.502 14.660 0.712 1.00 0.00 C ATOM 946 O GLY A 67 6.223 14.885 1.891 1.00 0.00 O ATOM 0 H GLY A 67 6.245 14.892 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.381 16.313 -0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.828 15.747 -0.060 1.00 0.00 H new ATOM 950 N LEU A 68 7.405 13.760 0.342 1.00 0.00 N ATOM 951 CA LEU A 68 8.139 12.965 1.320 1.00 0.00 C ATOM 952 C LEU A 68 9.483 13.609 1.645 1.00 0.00 C ATOM 953 O LEU A 68 9.902 14.562 0.989 1.00 0.00 O ATOM 954 CB LEU A 68 8.355 11.544 0.795 1.00 0.00 C ATOM 955 CG LEU A 68 7.130 10.861 0.187 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.543 9.625 -0.596 1.00 0.00 C ATOM 957 CD2 LEU A 68 6.128 10.498 1.273 1.00 0.00 C ATOM 0 H LEU A 68 7.647 13.562 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 68 7.547 12.921 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.142 11.572 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.721 10.927 1.615 1.00 0.00 H new ATOM 0 HG LEU A 68 6.652 11.558 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.658 9.152 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.222 9.913 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.045 8.923 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.262 10.013 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.595 9.818 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.808 11.403 1.790 1.00 0.00 H new ATOM 969 N SER A 69 10.156 13.079 2.662 1.00 0.00 N ATOM 970 CA SER A 69 11.453 13.603 3.077 1.00 0.00 C ATOM 971 C SER A 69 12.567 12.611 2.755 1.00 0.00 C ATOM 972 O SER A 69 12.403 11.397 2.867 1.00 0.00 O ATOM 973 CB SER A 69 11.447 13.913 4.575 1.00 0.00 C ATOM 974 OG SER A 69 10.687 15.077 4.851 1.00 0.00 O ATOM 0 H SER A 69 9.825 12.287 3.214 1.00 0.00 H new ATOM 0 HA SER A 69 11.639 14.524 2.525 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.034 13.066 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.470 14.051 4.925 1.00 0.00 H new ATOM 0 HG SER A 69 10.697 15.253 5.815 1.00 0.00 H new ATOM 980 N PRO A 70 13.729 13.140 2.345 1.00 0.00 N ATOM 981 CA PRO A 70 14.894 12.321 1.999 1.00 0.00 C ATOM 982 C PRO A 70 15.517 11.653 3.221 1.00 0.00 C ATOM 983 O PRO A 70 15.423 12.166 4.336 1.00 0.00 O ATOM 984 CB PRO A 70 15.869 13.329 1.387 1.00 0.00 C ATOM 985 CG PRO A 70 15.485 14.638 1.985 1.00 0.00 C ATOM 986 CD PRO A 70 13.996 14.580 2.189 1.00 0.00 C ATOM 0 HA PRO A 70 14.631 11.502 1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.902 13.074 1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.786 13.351 0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 70 16.002 14.802 2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.757 15.463 1.326 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.689 15.143 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.457 14.999 1.339 1.00 0.00 H new ATOM 994 N ALA A 71 16.152 10.506 3.004 1.00 0.00 N ATOM 995 CA ALA A 71 16.791 9.770 4.087 1.00 0.00 C ATOM 996 C ALA A 71 15.823 9.542 5.242 1.00 0.00 C ATOM 997 O ALA A 71 16.114 9.885 6.388 1.00 0.00 O ATOM 998 CB ALA A 71 18.028 10.512 4.570 1.00 0.00 C ATOM 0 H ALA A 71 16.237 10.067 2.088 1.00 0.00 H new ATOM 0 HA ALA A 71 17.092 8.795 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.496 9.951 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.734 10.617 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.742 11.500 4.931 1.00 0.00 H new ATOM 1004 N THR A 72 14.668 8.959 4.934 1.00 0.00 N ATOM 1005 CA THR A 72 13.656 8.686 5.947 1.00 0.00 C ATOM 1006 C THR A 72 12.941 7.369 5.669 1.00 0.00 C ATOM 1007 O THR A 72 12.483 7.122 4.554 1.00 0.00 O ATOM 1008 CB THR A 72 12.613 9.817 6.016 1.00 0.00 C ATOM 1009 OG1 THR A 72 13.265 11.072 6.246 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.603 9.555 7.125 1.00 0.00 C ATOM 0 H THR A 72 14.411 8.667 3.991 1.00 0.00 H new ATOM 0 HA THR A 72 14.175 8.620 6.903 1.00 0.00 H new ATOM 0 HB THR A 72 12.084 9.851 5.064 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.819 11.300 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.876 10.367 7.155 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.088 8.614 6.933 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.121 9.496 8.082 1.00 0.00 H new ATOM 1018 N THR A 73 12.850 6.524 6.692 1.00 0.00 N ATOM 1019 CA THR A 73 12.192 5.230 6.559 1.00 0.00 C ATOM 1020 C THR A 73 10.681 5.392 6.444 1.00 0.00 C ATOM 1021 O THR A 73 10.084 6.231 7.118 1.00 0.00 O ATOM 1022 CB THR A 73 12.510 4.312 7.754 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.869 4.497 8.167 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.279 2.853 7.393 1.00 0.00 C ATOM 0 H THR A 73 13.224 6.713 7.622 1.00 0.00 H new ATOM 0 HA THR A 73 12.576 4.772 5.648 1.00 0.00 H new ATOM 0 HB THR A 73 11.842 4.577 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.062 3.911 8.928 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.510 2.224 8.253 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.237 2.709 7.108 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.924 2.578 6.559 1.00 0.00 H new ATOM 1032 N TYR A 74 10.068 4.583 5.587 1.00 0.00 N ATOM 1033 CA TYR A 74 8.625 4.637 5.382 1.00 0.00 C ATOM 1034 C TYR A 74 8.024 3.235 5.363 1.00 0.00 C ATOM 1035 O TYR A 74 8.743 2.241 5.250 1.00 0.00 O ATOM 1036 CB TYR A 74 8.301 5.361 4.075 1.00 0.00 C ATOM 1037 CG TYR A 74 8.485 6.860 4.152 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.457 7.684 4.596 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.684 7.453 3.778 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.621 9.054 4.667 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.856 8.822 3.846 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.821 9.618 4.292 1.00 0.00 C ATOM 1043 OH TYR A 74 8.988 10.982 4.361 1.00 0.00 O ATOM 0 H TYR A 74 10.548 3.882 5.023 1.00 0.00 H new ATOM 0 HA TYR A 74 8.186 5.189 6.213 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.937 4.965 3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.270 5.144 3.795 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.515 7.246 4.890 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.496 6.833 3.428 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.812 9.680 5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.795 9.267 3.552 1.00 0.00 H new ATOM 0 HH TYR A 74 9.819 11.186 4.839 1.00 0.00 H new ATOM 1053 N TYR A 75 6.702 3.164 5.472 1.00 0.00 N ATOM 1054 CA TYR A 75 6.004 1.885 5.469 1.00 0.00 C ATOM 1055 C TYR A 75 4.663 1.997 4.749 1.00 0.00 C ATOM 1056 O TYR A 75 4.063 3.072 4.697 1.00 0.00 O ATOM 1057 CB TYR A 75 5.786 1.394 6.902 1.00 0.00 C ATOM 1058 CG TYR A 75 7.059 1.312 7.713 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.823 0.152 7.729 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.498 2.396 8.464 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.986 0.073 8.470 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.662 2.326 9.206 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.401 1.162 9.207 1.00 0.00 C ATOM 1064 OH TYR A 75 10.560 1.088 9.945 1.00 0.00 O ATOM 0 H TYR A 75 6.093 3.977 5.563 1.00 0.00 H new ATOM 0 HA TYR A 75 6.624 1.164 4.935 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.087 2.063 7.404 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.319 0.409 6.873 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.502 -0.703 7.152 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.920 3.308 8.468 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.567 -0.837 8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.991 3.178 9.782 1.00 0.00 H new ATOM 0 HH TYR A 75 10.362 1.282 10.885 1.00 0.00 H new ATOM 1074 N CYS A 76 4.200 0.882 4.197 1.00 0.00 N ATOM 1075 CA CYS A 76 2.930 0.854 3.479 1.00 0.00 C ATOM 1076 C CYS A 76 2.266 -0.513 3.602 1.00 0.00 C ATOM 1077 O CYS A 76 2.941 -1.542 3.637 1.00 0.00 O ATOM 1078 CB CYS A 76 3.146 1.200 2.005 1.00 0.00 C ATOM 1079 SG CYS A 76 4.118 -0.025 1.095 1.00 0.00 S ATOM 0 H CYS A 76 4.684 -0.015 4.232 1.00 0.00 H new ATOM 0 HA CYS A 76 2.271 1.599 3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.175 1.309 1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.645 2.167 1.939 1.00 0.00 H new ATOM 0 HG CYS A 76 4.245 0.354 -0.142 1.00 0.00 H new ATOM 1085 N ARG A 77 0.938 -0.516 3.669 1.00 0.00 N ATOM 1086 CA ARG A 77 0.182 -1.757 3.792 1.00 0.00 C ATOM 1087 C ARG A 77 -1.154 -1.653 3.063 1.00 0.00 C ATOM 1088 O ARG A 77 -1.951 -0.754 3.330 1.00 0.00 O ATOM 1089 CB ARG A 77 -0.053 -2.092 5.265 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.983 -1.118 5.971 1.00 0.00 C ATOM 1091 CD ARG A 77 -1.117 -1.446 7.449 1.00 0.00 C ATOM 1092 NE ARG A 77 -1.415 -0.261 8.248 1.00 0.00 N ATOM 1093 CZ ARG A 77 -1.526 -0.276 9.572 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -1.362 -1.408 10.242 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -1.799 0.844 10.228 1.00 0.00 N ATOM 0 H ARG A 77 0.364 0.327 3.640 1.00 0.00 H new ATOM 0 HA ARG A 77 0.765 -2.556 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.469 -3.097 5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.906 -2.106 5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.603 -0.103 5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.966 -1.146 5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.907 -2.184 7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.192 -1.900 7.805 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.545 0.627 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.150 -2.271 9.741 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.448 -1.416 11.258 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.924 1.717 9.716 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.884 0.832 11.244 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.392 -2.579 2.138 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.631 -2.593 1.371 1.00 0.00 C ATOM 1111 C VAL A 78 -3.496 -3.791 1.746 1.00 0.00 C ATOM 1112 O VAL A 78 -2.989 -4.890 1.966 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.352 -2.629 -0.143 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.484 -3.825 -0.499 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.658 -2.658 -0.925 1.00 0.00 C ATOM 0 H VAL A 78 -0.742 -3.329 1.902 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.164 -1.674 1.613 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.810 -1.723 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.298 -3.833 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.535 -3.757 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.996 -4.744 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.442 -2.683 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.228 -3.545 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.241 -1.766 -0.694 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.805 -3.569 1.816 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.741 -4.632 2.165 1.00 0.00 C ATOM 1127 C GLN A 79 -6.867 -4.723 1.140 1.00 0.00 C ATOM 1128 O GLN A 79 -7.186 -3.744 0.466 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.323 -4.390 3.559 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.325 -3.249 3.611 1.00 0.00 C ATOM 1131 CD GLN A 79 -8.213 -3.306 4.838 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -8.302 -2.343 5.599 1.00 0.00 O ATOM 1133 NE2 GLN A 79 -8.876 -4.439 5.037 1.00 0.00 N ATOM 0 H GLN A 79 -5.241 -2.665 1.636 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.197 -5.576 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.807 -5.303 3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.508 -4.179 4.252 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.789 -2.300 3.599 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.947 -3.276 2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.773 -5.213 4.380 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.489 -4.536 5.847 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.463 -5.906 1.027 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.554 -6.124 0.085 1.00 0.00 C ATOM 1144 C ALA A 80 -9.900 -6.147 0.801 1.00 0.00 C ATOM 1145 O ALA A 80 -10.110 -6.931 1.728 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.339 -7.422 -0.679 1.00 0.00 C ATOM 0 H ALA A 80 -7.209 -6.727 1.576 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.562 -5.295 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.161 -7.573 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.399 -7.369 -1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.303 -8.255 0.023 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.811 -5.283 0.366 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.137 -5.202 0.966 1.00 0.00 C ATOM 1154 C LEU A 81 -13.135 -6.066 0.200 1.00 0.00 C ATOM 1155 O LEU A 81 -13.197 -6.017 -1.028 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.619 -3.751 0.995 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.942 -2.838 2.018 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.715 -2.174 1.411 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.920 -1.791 2.530 1.00 0.00 C ATOM 0 H LEU A 81 -10.655 -4.629 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.069 -5.576 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.475 -3.322 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.691 -3.749 1.190 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.620 -3.447 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.246 -1.528 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.006 -2.939 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.013 -1.578 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.420 -1.151 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.274 -1.185 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.767 -2.286 3.005 1.00 0.00 H new ATOM 1171 N SER A 82 -13.914 -6.854 0.934 1.00 0.00 N ATOM 1172 CA SER A 82 -14.907 -7.730 0.323 1.00 0.00 C ATOM 1173 C SER A 82 -16.319 -7.309 0.720 1.00 0.00 C ATOM 1174 O SER A 82 -16.505 -6.376 1.501 1.00 0.00 O ATOM 1175 CB SER A 82 -14.660 -9.182 0.737 1.00 0.00 C ATOM 1176 OG SER A 82 -14.712 -9.327 2.145 1.00 0.00 O ATOM 0 H SER A 82 -13.877 -6.904 1.952 1.00 0.00 H new ATOM 0 HA SER A 82 -14.812 -7.647 -0.760 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.407 -9.827 0.274 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.686 -9.507 0.371 1.00 0.00 H new ATOM 0 HG SER A 82 -14.014 -8.776 2.557 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.312 -8.006 0.175 1.00 0.00 N ATOM 1183 CA VAL A 83 -18.708 -7.707 0.471 1.00 0.00 C ATOM 1184 C VAL A 83 -19.181 -8.463 1.707 1.00 0.00 C ATOM 1185 O VAL A 83 -20.357 -8.412 2.067 1.00 0.00 O ATOM 1186 CB VAL A 83 -19.622 -8.061 -0.716 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.253 -7.237 -1.939 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.544 -9.549 -1.022 1.00 0.00 C ATOM 0 H VAL A 83 -17.175 -8.781 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.769 -6.635 0.659 1.00 0.00 H new ATOM 0 HB VAL A 83 -20.650 -7.822 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -19.910 -7.501 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.365 -6.177 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.219 -7.441 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.196 -9.782 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.517 -9.815 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.862 -10.117 -0.148 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.257 -9.165 2.355 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.579 -9.931 3.553 1.00 0.00 C ATOM 1200 C VAL A 84 -17.757 -9.457 4.747 1.00 0.00 C ATOM 1201 O VAL A 84 -18.059 -9.789 5.892 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.332 -11.437 3.339 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -16.894 -11.796 3.681 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.308 -12.259 4.167 1.00 0.00 C ATOM 0 H VAL A 84 -17.279 -9.219 2.070 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.637 -9.769 3.757 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.498 -11.670 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.738 -12.863 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.216 -11.232 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.696 -11.550 4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.120 -13.320 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -19.176 -12.025 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.329 -12.022 3.868 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.716 -8.678 4.469 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.867 -8.170 5.530 1.00 0.00 C ATOM 1216 C GLY A 85 -14.458 -7.875 5.054 1.00 0.00 C ATOM 1217 O GLY A 85 -13.852 -8.682 4.349 1.00 0.00 O ATOM 0 H GLY A 85 -16.446 -8.390 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.307 -7.260 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.829 -8.898 6.340 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.935 -6.716 5.439 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.589 -6.317 5.047 1.00 0.00 C ATOM 1223 C ALA A 86 -11.623 -7.494 5.130 1.00 0.00 C ATOM 1224 O ALA A 86 -11.665 -8.279 6.075 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.104 -5.170 5.920 1.00 0.00 C ATOM 0 H ALA A 86 -14.423 -6.036 6.022 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.622 -5.981 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.098 -4.882 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.775 -4.318 5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.092 -5.487 6.963 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.751 -7.609 4.132 1.00 0.00 N ATOM 1232 CA GLY A 87 -9.786 -8.693 4.111 1.00 0.00 C ATOM 1233 C GLY A 87 -8.526 -8.364 4.888 1.00 0.00 C ATOM 1234 O GLY A 87 -8.357 -7.254 5.394 1.00 0.00 O ATOM 0 H GLY A 87 -10.696 -6.971 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.243 -9.590 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.523 -8.921 3.078 1.00 0.00 H new ATOM 1238 N PRO A 88 -7.618 -9.344 4.991 1.00 0.00 N ATOM 1239 CA PRO A 88 -6.351 -9.176 5.711 1.00 0.00 C ATOM 1240 C PRO A 88 -5.396 -8.232 4.991 1.00 0.00 C ATOM 1241 O PRO A 88 -5.549 -7.967 3.799 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.775 -10.594 5.750 1.00 0.00 C ATOM 1243 CG PRO A 88 -6.381 -11.281 4.575 1.00 0.00 C ATOM 1244 CD PRO A 88 -7.754 -10.691 4.412 1.00 0.00 C ATOM 0 HA PRO A 88 -6.497 -8.734 6.696 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.687 -10.581 5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.032 -11.100 6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.780 -11.124 3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.436 -12.357 4.738 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.052 -10.650 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.509 -11.279 4.935 1.00 0.00 H new ATOM 1252 N PHE A 89 -4.407 -7.726 5.723 1.00 0.00 N ATOM 1253 CA PHE A 89 -3.426 -6.810 5.153 1.00 0.00 C ATOM 1254 C PHE A 89 -2.167 -7.559 4.725 1.00 0.00 C ATOM 1255 O PHE A 89 -1.853 -8.624 5.259 1.00 0.00 O ATOM 1256 CB PHE A 89 -3.066 -5.721 6.165 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.951 -4.510 6.084 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -5.168 -4.480 6.744 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -3.565 -3.403 5.346 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -5.985 -3.367 6.671 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -4.378 -2.288 5.270 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.590 -2.270 5.932 1.00 0.00 C ATOM 0 H PHE A 89 -4.265 -7.935 6.711 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.868 -6.345 4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.125 -6.137 7.171 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.032 -5.416 6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.483 -5.336 7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.619 -3.411 4.825 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.931 -3.356 7.192 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.065 -1.430 4.693 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.227 -1.400 5.872 1.00 0.00 H new ATOM 1272 N SER A 90 -1.450 -6.996 3.759 1.00 0.00 N ATOM 1273 CA SER A 90 -0.228 -7.611 3.256 1.00 0.00 C ATOM 1274 C SER A 90 0.926 -7.407 4.234 1.00 0.00 C ATOM 1275 O SER A 90 0.742 -6.860 5.321 1.00 0.00 O ATOM 1276 CB SER A 90 0.138 -7.027 1.889 1.00 0.00 C ATOM 1277 OG SER A 90 0.433 -5.644 1.989 1.00 0.00 O ATOM 0 H SER A 90 -1.694 -6.114 3.308 1.00 0.00 H new ATOM 0 HA SER A 90 -0.407 -8.681 3.150 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.999 -7.557 1.482 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.687 -7.177 1.193 1.00 0.00 H new ATOM 0 HG SER A 90 0.665 -5.294 1.104 1.00 0.00 H new ATOM 1283 N GLU A 91 2.114 -7.853 3.838 1.00 0.00 N ATOM 1284 CA GLU A 91 3.297 -7.719 4.680 1.00 0.00 C ATOM 1285 C GLU A 91 3.916 -6.332 4.535 1.00 0.00 C ATOM 1286 O GLU A 91 4.410 -5.968 3.467 1.00 0.00 O ATOM 1287 CB GLU A 91 4.330 -8.790 4.320 1.00 0.00 C ATOM 1288 CG GLU A 91 3.818 -10.210 4.488 1.00 0.00 C ATOM 1289 CD GLU A 91 3.166 -10.749 3.230 1.00 0.00 C ATOM 1290 OE1 GLU A 91 3.879 -10.927 2.221 1.00 0.00 O ATOM 1291 OE2 GLU A 91 1.941 -10.994 3.255 1.00 0.00 O ATOM 0 H GLU A 91 2.283 -8.309 2.941 1.00 0.00 H new ATOM 0 HA GLU A 91 2.989 -7.853 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.645 -8.646 3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.213 -8.655 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.647 -10.860 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.098 -10.238 5.306 1.00 0.00 H new ATOM 1298 N VAL A 92 3.884 -5.559 5.616 1.00 0.00 N ATOM 1299 CA VAL A 92 4.441 -4.212 5.611 1.00 0.00 C ATOM 1300 C VAL A 92 5.709 -4.145 4.767 1.00 0.00 C ATOM 1301 O VAL A 92 6.604 -4.980 4.905 1.00 0.00 O ATOM 1302 CB VAL A 92 4.761 -3.731 7.038 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.354 -2.331 7.010 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.512 -3.773 7.907 1.00 0.00 C ATOM 0 H VAL A 92 3.478 -5.843 6.507 1.00 0.00 H new ATOM 0 HA VAL A 92 3.684 -3.558 5.177 1.00 0.00 H new ATOM 0 HB VAL A 92 5.501 -4.404 7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.573 -2.008 8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.274 -2.337 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.640 -1.643 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.756 -3.430 8.912 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.748 -3.125 7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.136 -4.795 7.954 1.00 0.00 H new ATOM 1314 N VAL A 93 5.781 -3.146 3.894 1.00 0.00 N ATOM 1315 CA VAL A 93 6.941 -2.969 3.029 1.00 0.00 C ATOM 1316 C VAL A 93 7.722 -1.716 3.407 1.00 0.00 C ATOM 1317 O VAL A 93 7.272 -0.595 3.169 1.00 0.00 O ATOM 1318 CB VAL A 93 6.527 -2.875 1.548 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.748 -2.665 0.665 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.763 -4.121 1.128 1.00 0.00 C ATOM 0 H VAL A 93 5.050 -2.447 3.767 1.00 0.00 H new ATOM 0 HA VAL A 93 7.575 -3.845 3.167 1.00 0.00 H new ATOM 0 HB VAL A 93 5.868 -2.015 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.436 -2.601 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.249 -1.740 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.434 -3.503 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.479 -4.037 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.395 -4.998 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.867 -4.222 1.740 1.00 0.00 H new ATOM 1330 N ALA A 94 8.896 -1.913 3.997 1.00 0.00 N ATOM 1331 CA ALA A 94 9.742 -0.799 4.407 1.00 0.00 C ATOM 1332 C ALA A 94 10.568 -0.277 3.236 1.00 0.00 C ATOM 1333 O ALA A 94 11.030 -1.050 2.396 1.00 0.00 O ATOM 1334 CB ALA A 94 10.653 -1.220 5.551 1.00 0.00 C ATOM 0 H ALA A 94 9.283 -2.834 4.202 1.00 0.00 H new ATOM 0 HA ALA A 94 9.095 0.008 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.279 -0.378 5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.048 -1.538 6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.286 -2.046 5.227 1.00 0.00 H new ATOM 1340 N CYS A 95 10.749 1.038 3.186 1.00 0.00 N ATOM 1341 CA CYS A 95 11.518 1.663 2.116 1.00 0.00 C ATOM 1342 C CYS A 95 12.048 3.025 2.552 1.00 0.00 C ATOM 1343 O CYS A 95 11.302 3.859 3.065 1.00 0.00 O ATOM 1344 CB CYS A 95 10.656 1.816 0.861 1.00 0.00 C ATOM 1345 SG CYS A 95 9.627 3.303 0.850 1.00 0.00 S ATOM 0 H CYS A 95 10.374 1.692 3.873 1.00 0.00 H new ATOM 0 HA CYS A 95 12.367 1.018 1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 95 11.306 1.830 -0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.013 0.941 0.766 1.00 0.00 H new ATOM 0 HG CYS A 95 10.029 4.116 1.781 1.00 0.00 H new ATOM 1351 N VAL A 96 13.343 3.244 2.344 1.00 0.00 N ATOM 1352 CA VAL A 96 13.974 4.505 2.716 1.00 0.00 C ATOM 1353 C VAL A 96 14.276 5.353 1.486 1.00 0.00 C ATOM 1354 O VAL A 96 14.815 4.860 0.495 1.00 0.00 O ATOM 1355 CB VAL A 96 15.282 4.270 3.496 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.999 5.587 3.747 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.997 3.551 4.806 1.00 0.00 C ATOM 0 H VAL A 96 13.975 2.565 1.920 1.00 0.00 H new ATOM 0 HA VAL A 96 13.268 5.035 3.355 1.00 0.00 H new ATOM 0 HB VAL A 96 15.935 3.638 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.920 5.400 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.236 6.059 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.355 6.247 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.931 3.393 5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.325 4.156 5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.530 2.588 4.598 1.00 0.00 H new ATOM 1367 N THR A 97 13.923 6.633 1.555 1.00 0.00 N ATOM 1368 CA THR A 97 14.154 7.551 0.447 1.00 0.00 C ATOM 1369 C THR A 97 15.604 8.020 0.415 1.00 0.00 C ATOM 1370 O THR A 97 16.284 8.080 1.439 1.00 0.00 O ATOM 1371 CB THR A 97 13.230 8.781 0.534 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.428 9.454 1.781 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.772 8.373 0.397 1.00 0.00 C ATOM 0 H THR A 97 13.476 7.057 2.368 1.00 0.00 H new ATOM 0 HA THR A 97 13.932 7.003 -0.469 1.00 0.00 H new ATOM 0 HB THR A 97 13.480 9.455 -0.285 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.925 10.295 1.782 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.139 9.258 0.462 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.619 7.887 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.511 7.681 1.198 1.00 0.00 H new ATOM 1381 N PRO A 98 16.091 8.360 -0.788 1.00 0.00 N ATOM 1382 CA PRO A 98 17.465 8.831 -0.981 1.00 0.00 C ATOM 1383 C PRO A 98 17.692 10.218 -0.388 1.00 0.00 C ATOM 1384 O PRO A 98 16.791 11.056 -0.347 1.00 0.00 O ATOM 1385 CB PRO A 98 17.616 8.869 -2.504 1.00 0.00 C ATOM 1386 CG PRO A 98 16.229 9.041 -3.017 1.00 0.00 C ATOM 1387 CD PRO A 98 15.336 8.312 -2.052 1.00 0.00 C ATOM 0 HA PRO A 98 18.190 8.187 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.259 9.691 -2.818 1.00 0.00 H new ATOM 0 HB3 PRO A 98 18.066 7.951 -2.880 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.962 10.096 -3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.132 8.633 -4.023 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.364 8.797 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.151 7.286 -2.371 1.00 0.00 H new ATOM 1395 N PRO A 99 18.923 10.467 0.082 1.00 0.00 N ATOM 1396 CA PRO A 99 19.297 11.753 0.680 1.00 0.00 C ATOM 1397 C PRO A 99 19.356 12.876 -0.350 1.00 0.00 C ATOM 1398 O PRO A 99 19.920 12.711 -1.430 1.00 0.00 O ATOM 1399 CB PRO A 99 20.688 11.483 1.258 1.00 0.00 C ATOM 1400 CG PRO A 99 21.230 10.363 0.439 1.00 0.00 C ATOM 1401 CD PRO A 99 20.046 9.514 0.065 1.00 0.00 C ATOM 0 HA PRO A 99 18.570 12.086 1.421 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.323 12.366 1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.632 11.211 2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.737 10.739 -0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.962 9.785 1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.172 9.059 -0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.894 8.701 0.775 1.00 0.00 H new ATOM 1409 N SER A 100 18.769 14.018 -0.006 1.00 0.00 N ATOM 1410 CA SER A 100 18.753 15.168 -0.902 1.00 0.00 C ATOM 1411 C SER A 100 19.945 16.082 -0.636 1.00 0.00 C ATOM 1412 O SER A 100 19.904 16.931 0.254 1.00 0.00 O ATOM 1413 CB SER A 100 17.449 15.951 -0.737 1.00 0.00 C ATOM 1414 OG SER A 100 17.190 16.757 -1.875 1.00 0.00 O ATOM 0 H SER A 100 18.299 14.171 0.886 1.00 0.00 H new ATOM 0 HA SER A 100 18.821 14.800 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.622 15.258 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.508 16.579 0.152 1.00 0.00 H new ATOM 0 HG SER A 100 16.351 17.246 -1.745 1.00 0.00 H new ATOM 1420 N SER A 101 21.007 15.901 -1.415 1.00 0.00 N ATOM 1421 CA SER A 101 22.214 16.705 -1.262 1.00 0.00 C ATOM 1422 C SER A 101 23.164 16.489 -2.436 1.00 0.00 C ATOM 1423 O SER A 101 22.990 15.563 -3.227 1.00 0.00 O ATOM 1424 CB SER A 101 22.920 16.359 0.050 1.00 0.00 C ATOM 1425 OG SER A 101 23.182 14.970 0.138 1.00 0.00 O ATOM 0 H SER A 101 21.056 15.205 -2.159 1.00 0.00 H new ATOM 0 HA SER A 101 21.921 17.755 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 101 23.856 16.914 0.120 1.00 0.00 H new ATOM 0 HB3 SER A 101 22.301 16.669 0.892 1.00 0.00 H new ATOM 0 HG SER A 101 23.635 14.776 0.985 1.00 0.00 H new ATOM 1431 N GLY A 102 24.170 17.351 -2.542 1.00 0.00 N ATOM 1432 CA GLY A 102 25.133 17.238 -3.622 1.00 0.00 C ATOM 1433 C GLY A 102 24.955 18.315 -4.673 1.00 0.00 C ATOM 1434 O GLY A 102 24.311 18.108 -5.701 1.00 0.00 O ATOM 0 H GLY A 102 24.336 18.126 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 102 26.142 17.297 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 102 25.036 16.258 -4.090 1.00 0.00 H new ATOM 1438 N PRO A 103 25.534 19.498 -4.418 1.00 0.00 N ATOM 1439 CA PRO A 103 25.448 20.636 -5.338 1.00 0.00 C ATOM 1440 C PRO A 103 26.248 20.409 -6.616 1.00 0.00 C ATOM 1441 O PRO A 103 25.926 20.960 -7.668 1.00 0.00 O ATOM 1442 CB PRO A 103 26.046 21.790 -4.531 1.00 0.00 C ATOM 1443 CG PRO A 103 26.953 21.136 -3.548 1.00 0.00 C ATOM 1444 CD PRO A 103 26.317 19.816 -3.212 1.00 0.00 C ATOM 0 HA PRO A 103 24.426 20.815 -5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 103 26.591 22.481 -5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 103 25.269 22.367 -4.030 1.00 0.00 H new ATOM 0 HG2 PRO A 103 27.948 20.994 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 103 27.070 21.751 -2.656 1.00 0.00 H new ATOM 0 HD2 PRO A 103 27.065 19.051 -3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 103 25.683 19.889 -2.329 1.00 0.00 H new ATOM 1452 N SER A 104 27.294 19.594 -6.518 1.00 0.00 N ATOM 1453 CA SER A 104 28.143 19.297 -7.665 1.00 0.00 C ATOM 1454 C SER A 104 27.302 19.066 -8.918 1.00 0.00 C ATOM 1455 O SER A 104 26.164 18.603 -8.838 1.00 0.00 O ATOM 1456 CB SER A 104 29.006 18.066 -7.383 1.00 0.00 C ATOM 1457 OG SER A 104 28.336 16.876 -7.763 1.00 0.00 O ATOM 0 H SER A 104 27.573 19.128 -5.655 1.00 0.00 H new ATOM 0 HA SER A 104 28.792 20.155 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A 104 29.948 18.146 -7.926 1.00 0.00 H new ATOM 0 HB3 SER A 104 29.252 18.026 -6.322 1.00 0.00 H new ATOM 0 HG SER A 104 28.909 16.104 -7.574 1.00 0.00 H new ATOM 1463 N SER A 105 27.871 19.394 -10.073 1.00 0.00 N ATOM 1464 CA SER A 105 27.174 19.228 -11.343 1.00 0.00 C ATOM 1465 C SER A 105 26.879 17.755 -11.612 1.00 0.00 C ATOM 1466 O SER A 105 27.495 16.869 -11.019 1.00 0.00 O ATOM 1467 CB SER A 105 28.006 19.810 -12.487 1.00 0.00 C ATOM 1468 OG SER A 105 28.046 21.225 -12.420 1.00 0.00 O ATOM 0 H SER A 105 28.813 19.776 -10.156 1.00 0.00 H new ATOM 0 HA SER A 105 26.228 19.766 -11.282 1.00 0.00 H new ATOM 0 HB2 SER A 105 29.020 19.412 -12.443 1.00 0.00 H new ATOM 0 HB3 SER A 105 27.583 19.500 -13.443 1.00 0.00 H new ATOM 0 HG SER A 105 28.585 21.572 -13.161 1.00 0.00 H new ATOM 1474 N GLY A 106 25.933 17.502 -12.510 1.00 0.00 N ATOM 1475 CA GLY A 106 25.572 16.136 -12.842 1.00 0.00 C ATOM 1476 C GLY A 106 24.914 16.024 -14.203 1.00 0.00 C ATOM 1477 O GLY A 106 24.867 16.995 -14.958 1.00 0.00 O ATOM 0 H GLY A 106 25.410 18.218 -13.014 1.00 0.00 H new ATOM 0 HA2 GLY A 106 26.466 15.512 -12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 106 24.895 15.747 -12.081 1.00 0.00 H new TER 1481 GLY A 106