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 USER MOD Set 1.2: A 23 CYS SG : rot 180:sc= -0.462 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.036 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.725 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= -0.0106 K(o=-0.011,f=-0.83) USER MOD Single : A 11 CYS SG : rot 110:sc= -0.556 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 38:sc= 0.0931 USER MOD Single : A 20 SER OG : rot -23:sc= 0.586 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 27 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.61) USER MOD Single : A 33 SER OG : rot -179:sc= -0.483 USER MOD Single : A 34 ASN : amide:sc= -0.868 X(o=-0.87,f=-0.52) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 39 THR OG1 : rot 171:sc= 0.00535 USER MOD Single : A 41 TYR OH : rot -140:sc= -1.96 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 158:sc= -0.0268 (180deg=-0.571) USER MOD Single : A 53 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1.1) USER MOD Single : A 55 CYS SG : rot -90:sc= 0.208 USER MOD Single : A 56 TYR OH : rot 70:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 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 62:sc= 0.16 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 150:sc= 0.0938 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 2:sc= -0.414 USER MOD Single : A 79 GLN : amide:sc= -5.25! C(o=-5.3!,f=-5.2!) USER MOD Single : A 82 SER OG : rot -54:sc= 0.592 USER MOD Single : A 90 SER OG : rot 140:sc= 0.378 USER MOD Single : A 95 CYS SG : rot -164:sc= -1.65 USER MOD Single : A 97 THR OG1 : rot 166:sc= 1.15 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= -0.212 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.441 -18.363 16.323 1.00 0.00 N ATOM 2 CA GLY A 1 -3.056 -17.408 15.300 1.00 0.00 C ATOM 3 C GLY A 1 -4.186 -16.465 14.934 1.00 0.00 C ATOM 4 O GLY A 1 -5.048 -16.168 15.760 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.689 -18.428 17.038 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.323 -18.050 16.776 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.587 -19.297 15.889 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.202 -16.828 15.651 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.732 -17.945 14.409 1.00 0.00 H new ATOM 8 N SER A 2 -4.180 -15.992 13.692 1.00 0.00 N ATOM 9 CA SER A 2 -5.209 -15.073 13.219 1.00 0.00 C ATOM 10 C SER A 2 -6.489 -15.824 12.867 1.00 0.00 C ATOM 11 O SER A 2 -6.485 -16.714 12.017 1.00 0.00 O ATOM 12 CB SER A 2 -4.708 -14.297 12.000 1.00 0.00 C ATOM 13 OG SER A 2 -5.350 -13.037 11.898 1.00 0.00 O ATOM 0 H SER A 2 -3.474 -16.230 12.995 1.00 0.00 H new ATOM 0 HA SER A 2 -5.430 -14.370 14.022 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.630 -14.154 12.074 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.892 -14.877 11.095 1.00 0.00 H new ATOM 0 HG SER A 2 -5.011 -12.560 11.112 1.00 0.00 H new ATOM 19 N SER A 3 -7.583 -15.459 13.527 1.00 0.00 N ATOM 20 CA SER A 3 -8.870 -16.101 13.288 1.00 0.00 C ATOM 21 C SER A 3 -9.570 -15.481 12.082 1.00 0.00 C ATOM 22 O SER A 3 -9.971 -14.319 12.113 1.00 0.00 O ATOM 23 CB SER A 3 -9.762 -15.981 14.525 1.00 0.00 C ATOM 24 OG SER A 3 -10.063 -14.626 14.808 1.00 0.00 O ATOM 0 H SER A 3 -7.604 -14.722 14.232 1.00 0.00 H new ATOM 0 HA SER A 3 -8.689 -17.156 13.080 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.686 -16.536 14.366 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.263 -16.432 15.382 1.00 0.00 H new ATOM 0 HG SER A 3 -9.978 -14.094 13.989 1.00 0.00 H new ATOM 30 N GLY A 4 -9.712 -16.267 11.020 1.00 0.00 N ATOM 31 CA GLY A 4 -10.363 -15.780 9.817 1.00 0.00 C ATOM 32 C GLY A 4 -10.964 -16.898 8.990 1.00 0.00 C ATOM 33 O GLY A 4 -10.264 -17.828 8.587 1.00 0.00 O ATOM 0 H GLY A 4 -9.388 -17.233 10.971 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.147 -15.074 10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.640 -15.233 9.212 1.00 0.00 H new ATOM 37 N SER A 5 -12.266 -16.810 8.736 1.00 0.00 N ATOM 38 CA SER A 5 -12.963 -17.826 7.955 1.00 0.00 C ATOM 39 C SER A 5 -13.697 -17.195 6.776 1.00 0.00 C ATOM 40 O SER A 5 -13.532 -17.615 5.631 1.00 0.00 O ATOM 41 CB SER A 5 -13.952 -18.588 8.839 1.00 0.00 C ATOM 42 OG SER A 5 -14.513 -19.688 8.144 1.00 0.00 O ATOM 0 H SER A 5 -12.859 -16.046 9.059 1.00 0.00 H new ATOM 0 HA SER A 5 -12.222 -18.524 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.445 -18.941 9.737 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.746 -17.916 9.165 1.00 0.00 H new ATOM 0 HG SER A 5 -15.140 -20.160 8.731 1.00 0.00 H new ATOM 48 N SER A 6 -14.511 -16.185 7.066 1.00 0.00 N ATOM 49 CA SER A 6 -15.275 -15.498 6.031 1.00 0.00 C ATOM 50 C SER A 6 -14.491 -14.312 5.474 1.00 0.00 C ATOM 51 O SER A 6 -14.503 -13.223 6.045 1.00 0.00 O ATOM 52 CB SER A 6 -16.616 -15.019 6.590 1.00 0.00 C ATOM 53 OG SER A 6 -17.434 -16.115 6.961 1.00 0.00 O ATOM 0 H SER A 6 -14.658 -15.824 8.009 1.00 0.00 H new ATOM 0 HA SER A 6 -15.458 -16.204 5.221 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.445 -14.379 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.130 -14.414 5.843 1.00 0.00 H new ATOM 0 HG SER A 6 -18.285 -15.783 7.317 1.00 0.00 H new ATOM 59 N GLY A 7 -13.811 -14.535 4.353 1.00 0.00 N ATOM 60 CA GLY A 7 -13.031 -13.479 3.736 1.00 0.00 C ATOM 61 C GLY A 7 -12.077 -14.001 2.681 1.00 0.00 C ATOM 62 O GLY A 7 -11.807 -15.200 2.597 1.00 0.00 O ATOM 0 H GLY A 7 -13.787 -15.428 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.705 -12.751 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.465 -12.954 4.505 1.00 0.00 H new ATOM 66 N PRO A 8 -11.550 -13.090 1.850 1.00 0.00 N ATOM 67 CA PRO A 8 -10.613 -13.444 0.779 1.00 0.00 C ATOM 68 C PRO A 8 -9.256 -13.882 1.318 1.00 0.00 C ATOM 69 O PRO A 8 -9.007 -13.824 2.522 1.00 0.00 O ATOM 70 CB PRO A 8 -10.479 -12.144 -0.017 1.00 0.00 C ATOM 71 CG PRO A 8 -10.800 -11.066 0.959 1.00 0.00 C ATOM 72 CD PRO A 8 -11.827 -11.645 1.892 1.00 0.00 C ATOM 0 HA PRO A 8 -10.969 -14.288 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.472 -12.028 -0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.164 -12.127 -0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.909 -10.755 1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.188 -10.183 0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.724 -11.245 2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.841 -11.421 1.562 1.00 0.00 H new ATOM 80 N ASP A 9 -8.381 -14.319 0.418 1.00 0.00 N ATOM 81 CA ASP A 9 -7.047 -14.765 0.804 1.00 0.00 C ATOM 82 C ASP A 9 -6.111 -13.577 0.998 1.00 0.00 C ATOM 83 O ASP A 9 -6.352 -12.491 0.468 1.00 0.00 O ATOM 84 CB ASP A 9 -6.477 -15.711 -0.255 1.00 0.00 C ATOM 85 CG ASP A 9 -6.877 -17.154 -0.018 1.00 0.00 C ATOM 86 OD1 ASP A 9 -6.940 -17.566 1.160 1.00 0.00 O ATOM 87 OD2 ASP A 9 -7.127 -17.870 -1.009 1.00 0.00 O ATOM 0 H ASP A 9 -8.571 -14.374 -0.583 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.129 -15.298 1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.822 -15.399 -1.241 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.390 -15.634 -0.259 1.00 0.00 H new ATOM 92 N GLN A 10 -5.044 -13.788 1.762 1.00 0.00 N ATOM 93 CA GLN A 10 -4.074 -12.733 2.028 1.00 0.00 C ATOM 94 C GLN A 10 -3.670 -12.027 0.737 1.00 0.00 C ATOM 95 O GLN A 10 -3.750 -12.603 -0.348 1.00 0.00 O ATOM 96 CB GLN A 10 -2.835 -13.311 2.716 1.00 0.00 C ATOM 97 CG GLN A 10 -1.638 -12.376 2.698 1.00 0.00 C ATOM 98 CD GLN A 10 -0.607 -12.728 3.753 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.674 -13.790 4.372 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.355 -11.837 3.962 1.00 0.00 N ATOM 0 H GLN A 10 -4.830 -14.680 2.208 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.541 -12.003 2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.083 -13.551 3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.562 -14.247 2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.171 -12.409 1.714 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.979 -11.353 2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.372 -10.969 3.426 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.077 -12.020 4.659 1.00 0.00 H new ATOM 109 N CYS A 11 -3.236 -10.779 0.863 1.00 0.00 N ATOM 110 CA CYS A 11 -2.820 -9.993 -0.294 1.00 0.00 C ATOM 111 C CYS A 11 -1.306 -9.821 -0.319 1.00 0.00 C ATOM 112 O CYS A 11 -0.671 -9.661 0.724 1.00 0.00 O ATOM 113 CB CYS A 11 -3.501 -8.623 -0.278 1.00 0.00 C ATOM 114 SG CYS A 11 -5.295 -8.694 -0.068 1.00 0.00 S ATOM 0 H CYS A 11 -3.163 -10.289 1.754 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.121 -10.530 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.075 -8.027 0.529 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.275 -8.106 -1.211 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.612 -8.243 1.109 1.00 0.00 H new ATOM 120 N LYS A 12 -0.731 -9.857 -1.516 1.00 0.00 N ATOM 121 CA LYS A 12 0.710 -9.705 -1.678 1.00 0.00 C ATOM 122 C LYS A 12 1.128 -8.249 -1.499 1.00 0.00 C ATOM 123 O LYS A 12 0.353 -7.322 -1.734 1.00 0.00 O ATOM 124 CB LYS A 12 1.144 -10.204 -3.058 1.00 0.00 C ATOM 125 CG LYS A 12 1.091 -11.715 -3.203 1.00 0.00 C ATOM 126 CD LYS A 12 2.389 -12.365 -2.754 1.00 0.00 C ATOM 127 CE LYS A 12 2.586 -13.726 -3.404 1.00 0.00 C ATOM 128 NZ LYS A 12 3.677 -14.501 -2.750 1.00 0.00 N ATOM 0 H LYS A 12 -1.241 -9.990 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 12 1.201 -10.303 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.504 -9.752 -3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.161 -9.864 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.263 -12.109 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.894 -11.975 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.228 -11.716 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.385 -12.476 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.656 -14.292 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.818 -13.594 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.780 -15.422 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.570 -13.973 -2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.444 -14.650 -1.747 1.00 0.00 H new ATOM 142 N PRO A 13 2.383 -8.040 -1.072 1.00 0.00 N ATOM 143 CA PRO A 13 2.932 -6.699 -0.854 1.00 0.00 C ATOM 144 C PRO A 13 3.146 -5.940 -2.160 1.00 0.00 C ATOM 145 O PRO A 13 3.592 -6.497 -3.163 1.00 0.00 O ATOM 146 CB PRO A 13 4.273 -6.973 -0.169 1.00 0.00 C ATOM 147 CG PRO A 13 4.653 -8.344 -0.612 1.00 0.00 C ATOM 148 CD PRO A 13 3.362 -9.099 -0.772 1.00 0.00 C ATOM 0 HA PRO A 13 2.258 -6.073 -0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.024 -6.240 -0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.182 -6.919 0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.205 -8.312 -1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.299 -8.826 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.422 -9.831 -1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.100 -9.644 0.135 1.00 0.00 H new ATOM 156 N PRO A 14 2.821 -4.640 -2.147 1.00 0.00 N ATOM 157 CA PRO A 14 2.969 -3.776 -3.324 1.00 0.00 C ATOM 158 C PRO A 14 4.431 -3.509 -3.666 1.00 0.00 C ATOM 159 O PRO A 14 5.328 -3.829 -2.886 1.00 0.00 O ATOM 160 CB PRO A 14 2.273 -2.480 -2.902 1.00 0.00 C ATOM 161 CG PRO A 14 2.357 -2.471 -1.415 1.00 0.00 C ATOM 162 CD PRO A 14 2.283 -3.911 -0.987 1.00 0.00 C ATOM 0 HA PRO A 14 2.546 -4.231 -4.220 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.766 -1.608 -3.332 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.237 -2.459 -3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.287 -2.012 -1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.541 -1.893 -0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.873 -4.094 -0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.259 -4.212 -0.763 1.00 0.00 H new ATOM 170 N GLN A 15 4.662 -2.920 -4.834 1.00 0.00 N ATOM 171 CA GLN A 15 6.017 -2.610 -5.277 1.00 0.00 C ATOM 172 C GLN A 15 6.281 -1.109 -5.211 1.00 0.00 C ATOM 173 O GLN A 15 5.720 -0.335 -5.988 1.00 0.00 O ATOM 174 CB GLN A 15 6.237 -3.116 -6.703 1.00 0.00 C ATOM 175 CG GLN A 15 7.681 -3.487 -7.001 1.00 0.00 C ATOM 176 CD GLN A 15 7.932 -3.719 -8.478 1.00 0.00 C ATOM 177 OE1 GLN A 15 7.570 -4.760 -9.026 1.00 0.00 O ATOM 178 NE2 GLN A 15 8.555 -2.745 -9.133 1.00 0.00 N ATOM 0 H GLN A 15 3.930 -2.648 -5.490 1.00 0.00 H new ATOM 0 HA GLN A 15 6.716 -3.113 -4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.604 -3.987 -6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.916 -2.348 -7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.337 -2.692 -6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.942 -4.388 -6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.838 -1.898 -8.640 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.750 -2.844 -10.129 1.00 0.00 H new ATOM 187 N VAL A 16 7.137 -0.704 -4.279 1.00 0.00 N ATOM 188 CA VAL A 16 7.477 0.704 -4.112 1.00 0.00 C ATOM 189 C VAL A 16 8.589 1.118 -5.070 1.00 0.00 C ATOM 190 O VAL A 16 9.567 0.394 -5.254 1.00 0.00 O ATOM 191 CB VAL A 16 7.918 1.007 -2.668 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.709 1.109 -1.750 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.886 -0.056 -2.173 1.00 0.00 C ATOM 0 H VAL A 16 7.608 -1.331 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 16 6.577 1.276 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 16 8.433 1.968 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.041 1.323 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.056 1.911 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.163 0.166 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.187 0.174 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.399 -1.031 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.766 -0.074 -2.815 1.00 0.00 H new ATOM 203 N THR A 17 8.433 2.290 -5.677 1.00 0.00 N ATOM 204 CA THR A 17 9.423 2.802 -6.616 1.00 0.00 C ATOM 205 C THR A 17 9.767 4.256 -6.315 1.00 0.00 C ATOM 206 O THR A 17 9.133 5.176 -6.837 1.00 0.00 O ATOM 207 CB THR A 17 8.926 2.695 -8.070 1.00 0.00 C ATOM 208 OG1 THR A 17 8.698 1.323 -8.410 1.00 0.00 O ATOM 209 CG2 THR A 17 9.935 3.301 -9.033 1.00 0.00 C ATOM 0 H THR A 17 7.630 2.903 -5.535 1.00 0.00 H new ATOM 0 HA THR A 17 10.316 2.188 -6.498 1.00 0.00 H new ATOM 0 HB THR A 17 7.991 3.249 -8.153 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.381 1.264 -9.335 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.562 3.214 -10.053 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.084 4.353 -8.790 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.884 2.771 -8.947 1.00 0.00 H new ATOM 217 N CYS A 18 10.772 4.459 -5.471 1.00 0.00 N ATOM 218 CA CYS A 18 11.200 5.804 -5.099 1.00 0.00 C ATOM 219 C CYS A 18 11.432 6.662 -6.338 1.00 0.00 C ATOM 220 O CYS A 18 12.470 6.556 -6.992 1.00 0.00 O ATOM 221 CB CYS A 18 12.477 5.741 -4.261 1.00 0.00 C ATOM 222 SG CYS A 18 13.886 4.995 -5.115 1.00 0.00 S ATOM 0 H CYS A 18 11.306 3.710 -5.031 1.00 0.00 H new ATOM 0 HA CYS A 18 10.407 6.261 -4.506 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.746 6.751 -3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.275 5.174 -3.353 1.00 0.00 H new ATOM 0 HG CYS A 18 13.883 5.364 -6.362 1.00 0.00 H new ATOM 228 N ARG A 19 10.459 7.510 -6.655 1.00 0.00 N ATOM 229 CA ARG A 19 10.557 8.384 -7.819 1.00 0.00 C ATOM 230 C ARG A 19 11.598 9.476 -7.591 1.00 0.00 C ATOM 231 O ARG A 19 12.317 9.862 -8.513 1.00 0.00 O ATOM 232 CB ARG A 19 9.197 9.016 -8.123 1.00 0.00 C ATOM 233 CG ARG A 19 8.196 8.044 -8.727 1.00 0.00 C ATOM 234 CD ARG A 19 8.508 7.758 -10.187 1.00 0.00 C ATOM 235 NE ARG A 19 9.621 6.825 -10.336 1.00 0.00 N ATOM 236 CZ ARG A 19 10.274 6.636 -11.478 1.00 0.00 C ATOM 237 NH1 ARG A 19 9.925 7.312 -12.564 1.00 0.00 N ATOM 238 NH2 ARG A 19 11.277 5.770 -11.534 1.00 0.00 N ATOM 0 H ARG A 19 9.595 7.611 -6.123 1.00 0.00 H new ATOM 0 HA ARG A 19 10.869 7.781 -8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.782 9.426 -7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.339 9.851 -8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.206 7.112 -8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.191 8.456 -8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.623 7.347 -10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.747 8.692 -10.696 1.00 0.00 H new ATOM 0 HE ARG A 19 9.913 6.289 -9.519 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.154 7.979 -12.524 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.428 7.165 -13.439 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.548 5.248 -10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.778 5.625 -12.411 1.00 0.00 H new ATOM 252 N SER A 20 11.672 9.970 -6.360 1.00 0.00 N ATOM 253 CA SER A 20 12.621 11.020 -6.012 1.00 0.00 C ATOM 254 C SER A 20 12.819 11.096 -4.502 1.00 0.00 C ATOM 255 O SER A 20 12.195 10.353 -3.745 1.00 0.00 O ATOM 256 CB SER A 20 12.137 12.370 -6.544 1.00 0.00 C ATOM 257 OG SER A 20 11.849 12.299 -7.930 1.00 0.00 O ATOM 0 H SER A 20 11.085 9.659 -5.586 1.00 0.00 H new ATOM 0 HA SER A 20 13.578 10.778 -6.473 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.245 12.680 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.899 13.129 -6.366 1.00 0.00 H new ATOM 0 HG SER A 20 12.341 11.551 -8.328 1.00 0.00 H new ATOM 263 N ALA A 21 13.691 12.001 -4.070 1.00 0.00 N ATOM 264 CA ALA A 21 13.970 12.177 -2.651 1.00 0.00 C ATOM 265 C ALA A 21 12.698 12.508 -1.878 1.00 0.00 C ATOM 266 O ALA A 21 12.595 12.233 -0.681 1.00 0.00 O ATOM 267 CB ALA A 21 15.011 13.269 -2.449 1.00 0.00 C ATOM 0 H ALA A 21 14.217 12.624 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 21 14.365 11.237 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.210 13.390 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.933 12.992 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.637 14.208 -2.857 1.00 0.00 H new ATOM 273 N THR A 22 11.729 13.102 -2.569 1.00 0.00 N ATOM 274 CA THR A 22 10.464 13.471 -1.947 1.00 0.00 C ATOM 275 C THR A 22 9.281 12.904 -2.726 1.00 0.00 C ATOM 276 O THR A 22 8.137 13.311 -2.519 1.00 0.00 O ATOM 277 CB THR A 22 10.312 15.001 -1.848 1.00 0.00 C ATOM 278 OG1 THR A 22 10.154 15.563 -3.155 1.00 0.00 O ATOM 279 CG2 THR A 22 11.523 15.621 -1.167 1.00 0.00 C ATOM 0 H THR A 22 11.797 13.337 -3.559 1.00 0.00 H new ATOM 0 HA THR A 22 10.471 13.048 -0.943 1.00 0.00 H new ATOM 0 HB THR A 22 9.427 15.219 -1.250 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.056 16.535 -3.083 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.394 16.702 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.624 15.212 -0.162 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.420 15.394 -1.743 1.00 0.00 H new ATOM 287 N CYS A 23 9.565 11.965 -3.621 1.00 0.00 N ATOM 288 CA CYS A 23 8.524 11.342 -4.432 1.00 0.00 C ATOM 289 C CYS A 23 8.567 9.823 -4.297 1.00 0.00 C ATOM 290 O CYS A 23 9.623 9.242 -4.049 1.00 0.00 O ATOM 291 CB CYS A 23 8.684 11.741 -5.899 1.00 0.00 C ATOM 292 SG CYS A 23 8.630 13.526 -6.188 1.00 0.00 S ATOM 0 H CYS A 23 10.507 11.618 -3.804 1.00 0.00 H new ATOM 0 HA CYS A 23 7.557 11.694 -4.072 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.633 11.352 -6.269 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.896 11.265 -6.482 1.00 0.00 H new ATOM 0 HG CYS A 23 8.776 13.765 -7.458 1.00 0.00 H new ATOM 298 N ALA A 24 7.412 9.187 -4.462 1.00 0.00 N ATOM 299 CA ALA A 24 7.317 7.736 -4.360 1.00 0.00 C ATOM 300 C ALA A 24 6.082 7.214 -5.087 1.00 0.00 C ATOM 301 O ALA A 24 5.136 7.962 -5.337 1.00 0.00 O ATOM 302 CB ALA A 24 7.291 7.310 -2.899 1.00 0.00 C ATOM 0 H ALA A 24 6.529 9.654 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 24 8.197 7.305 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.220 6.224 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.205 7.642 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.429 7.758 -2.405 1.00 0.00 H new ATOM 308 N GLN A 25 6.099 5.929 -5.423 1.00 0.00 N ATOM 309 CA GLN A 25 4.980 5.308 -6.123 1.00 0.00 C ATOM 310 C GLN A 25 4.728 3.897 -5.603 1.00 0.00 C ATOM 311 O GLN A 25 5.664 3.164 -5.285 1.00 0.00 O ATOM 312 CB GLN A 25 5.250 5.270 -7.628 1.00 0.00 C ATOM 313 CG GLN A 25 4.053 4.819 -8.450 1.00 0.00 C ATOM 314 CD GLN A 25 4.189 5.170 -9.919 1.00 0.00 C ATOM 315 OE1 GLN A 25 5.220 5.686 -10.353 1.00 0.00 O ATOM 316 NE2 GLN A 25 3.148 4.891 -10.693 1.00 0.00 N ATOM 0 H GLN A 25 6.874 5.297 -5.222 1.00 0.00 H new ATOM 0 HA GLN A 25 4.089 5.908 -5.936 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.554 6.263 -7.959 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.087 4.599 -7.822 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.932 3.741 -8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.149 5.280 -8.052 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.314 4.463 -10.291 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.182 5.104 -11.690 1.00 0.00 H new ATOM 325 N VAL A 26 3.456 3.522 -5.517 1.00 0.00 N ATOM 326 CA VAL A 26 3.080 2.197 -5.036 1.00 0.00 C ATOM 327 C VAL A 26 2.224 1.463 -6.062 1.00 0.00 C ATOM 328 O VAL A 26 1.498 2.083 -6.838 1.00 0.00 O ATOM 329 CB VAL A 26 2.309 2.281 -3.705 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.398 0.963 -2.953 1.00 0.00 C ATOM 331 CG2 VAL A 26 2.837 3.427 -2.856 1.00 0.00 C ATOM 0 H VAL A 26 2.668 4.117 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 26 4.005 1.643 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 26 1.259 2.476 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.848 1.041 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.968 0.167 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.443 0.734 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.281 3.472 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.894 3.266 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.715 4.366 -3.396 1.00 0.00 H new ATOM 341 N ASN A 27 2.313 0.136 -6.059 1.00 0.00 N ATOM 342 CA ASN A 27 1.547 -0.683 -6.989 1.00 0.00 C ATOM 343 C ASN A 27 1.167 -2.017 -6.353 1.00 0.00 C ATOM 344 O ASN A 27 1.974 -2.641 -5.664 1.00 0.00 O ATOM 345 CB ASN A 27 2.349 -0.927 -8.269 1.00 0.00 C ATOM 346 CG ASN A 27 2.448 0.314 -9.134 1.00 0.00 C ATOM 347 OD1 ASN A 27 1.455 0.769 -9.701 1.00 0.00 O ATOM 348 ND2 ASN A 27 3.651 0.868 -9.239 1.00 0.00 N ATOM 0 H ASN A 27 2.908 -0.394 -5.422 1.00 0.00 H new ATOM 0 HA ASN A 27 0.633 -0.145 -7.239 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.352 -1.265 -8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.881 -1.729 -8.840 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.779 1.705 -9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.446 0.456 -8.751 1.00 0.00 H new ATOM 355 N TRP A 28 -0.068 -2.448 -6.589 1.00 0.00 N ATOM 356 CA TRP A 28 -0.555 -3.708 -6.040 1.00 0.00 C ATOM 357 C TRP A 28 -1.424 -4.444 -7.052 1.00 0.00 C ATOM 358 O TRP A 28 -1.612 -3.978 -8.176 1.00 0.00 O ATOM 359 CB TRP A 28 -1.350 -3.455 -4.756 1.00 0.00 C ATOM 360 CG TRP A 28 -2.486 -2.497 -4.941 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.787 -2.810 -5.212 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.423 -1.068 -4.870 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.536 -1.663 -5.313 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.723 -0.580 -5.107 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.394 -0.153 -4.627 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.018 0.780 -5.109 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.689 1.197 -4.630 1.00 0.00 C ATOM 368 CH2 TRP A 28 -2.992 1.653 -4.868 1.00 0.00 C ATOM 0 H TRP A 28 -0.749 -1.944 -7.156 1.00 0.00 H new ATOM 0 HA TRP A 28 0.308 -4.332 -5.809 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.740 -4.403 -4.386 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.677 -3.067 -3.991 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.171 -3.813 -5.330 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.536 -1.624 -5.510 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.387 -0.495 -4.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.021 1.134 -5.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.902 1.913 -4.446 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.191 2.715 -4.861 1.00 0.00 H new ATOM 379 N GLU A 29 -1.951 -5.596 -6.649 1.00 0.00 N ATOM 380 CA GLU A 29 -2.799 -6.396 -7.525 1.00 0.00 C ATOM 381 C GLU A 29 -3.868 -7.132 -6.722 1.00 0.00 C ATOM 382 O GLU A 29 -3.853 -7.122 -5.491 1.00 0.00 O ATOM 383 CB GLU A 29 -1.954 -7.401 -8.311 1.00 0.00 C ATOM 384 CG GLU A 29 -1.416 -6.851 -9.621 1.00 0.00 C ATOM 385 CD GLU A 29 -0.227 -7.636 -10.139 1.00 0.00 C ATOM 386 OE1 GLU A 29 0.537 -8.171 -9.308 1.00 0.00 O ATOM 387 OE2 GLU A 29 -0.059 -7.714 -11.374 1.00 0.00 O ATOM 0 H GLU A 29 -1.806 -5.996 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.293 -5.722 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.117 -7.723 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.556 -8.286 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.209 -6.864 -10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.126 -5.810 -9.482 1.00 0.00 H new ATOM 394 N VAL A 30 -4.796 -7.771 -7.429 1.00 0.00 N ATOM 395 CA VAL A 30 -5.873 -8.511 -6.783 1.00 0.00 C ATOM 396 C VAL A 30 -5.550 -10.000 -6.712 1.00 0.00 C ATOM 397 O VAL A 30 -5.257 -10.645 -7.718 1.00 0.00 O ATOM 398 CB VAL A 30 -7.208 -8.323 -7.527 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.375 -8.734 -6.642 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.360 -6.881 -7.990 1.00 0.00 C ATOM 0 H VAL A 30 -4.823 -7.791 -8.448 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.969 -8.113 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.208 -8.965 -8.408 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.310 -8.594 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.270 -9.783 -6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.383 -8.120 -5.742 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.309 -6.765 -8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.339 -6.217 -7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.541 -6.626 -8.662 1.00 0.00 H new ATOM 410 N PRO A 31 -5.604 -10.560 -5.494 1.00 0.00 N ATOM 411 CA PRO A 31 -5.320 -11.979 -5.262 1.00 0.00 C ATOM 412 C PRO A 31 -6.403 -12.887 -5.834 1.00 0.00 C ATOM 413 O PRO A 31 -7.222 -12.458 -6.649 1.00 0.00 O ATOM 414 CB PRO A 31 -5.284 -12.088 -3.736 1.00 0.00 C ATOM 415 CG PRO A 31 -6.131 -10.961 -3.255 1.00 0.00 C ATOM 416 CD PRO A 31 -5.946 -9.849 -4.250 1.00 0.00 C ATOM 0 HA PRO A 31 -4.397 -12.295 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.674 -13.048 -3.399 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.265 -12.007 -3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.178 -11.259 -3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.830 -10.645 -2.256 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.853 -9.255 -4.363 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.153 -9.165 -3.946 1.00 0.00 H new ATOM 424 N LEU A 32 -6.402 -14.143 -5.405 1.00 0.00 N ATOM 425 CA LEU A 32 -7.386 -15.113 -5.875 1.00 0.00 C ATOM 426 C LEU A 32 -8.470 -15.341 -4.826 1.00 0.00 C ATOM 427 O LEU A 32 -8.421 -16.309 -4.068 1.00 0.00 O ATOM 428 CB LEU A 32 -6.702 -16.440 -6.214 1.00 0.00 C ATOM 429 CG LEU A 32 -7.566 -17.476 -6.932 1.00 0.00 C ATOM 430 CD1 LEU A 32 -7.644 -17.167 -8.420 1.00 0.00 C ATOM 431 CD2 LEU A 32 -7.020 -18.877 -6.704 1.00 0.00 C ATOM 0 H LEU A 32 -5.731 -14.515 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.854 -14.712 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.832 -16.229 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.333 -16.882 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.574 -17.430 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.263 -17.915 -8.915 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.083 -16.180 -8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.642 -17.185 -8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.648 -19.601 -7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.002 -18.938 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.018 -19.097 -5.637 1.00 0.00 H new ATOM 443 N SER A 33 -9.450 -14.443 -4.792 1.00 0.00 N ATOM 444 CA SER A 33 -10.546 -14.545 -3.835 1.00 0.00 C ATOM 445 C SER A 33 -11.641 -15.468 -4.361 1.00 0.00 C ATOM 446 O SER A 33 -12.690 -15.010 -4.815 1.00 0.00 O ATOM 447 CB SER A 33 -11.128 -13.160 -3.544 1.00 0.00 C ATOM 448 OG SER A 33 -10.147 -12.303 -2.985 1.00 0.00 O ATOM 0 H SER A 33 -9.507 -13.638 -5.415 1.00 0.00 H new ATOM 0 HA SER A 33 -10.151 -14.967 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.515 -12.724 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.969 -13.252 -2.857 1.00 0.00 H new ATOM 0 HG SER A 33 -10.547 -11.429 -2.795 1.00 0.00 H new ATOM 454 N ASN A 34 -11.390 -16.772 -4.295 1.00 0.00 N ATOM 455 CA ASN A 34 -12.353 -17.760 -4.765 1.00 0.00 C ATOM 456 C ASN A 34 -13.699 -17.581 -4.070 1.00 0.00 C ATOM 457 O ASN A 34 -13.999 -18.261 -3.089 1.00 0.00 O ATOM 458 CB ASN A 34 -11.824 -19.175 -4.520 1.00 0.00 C ATOM 459 CG ASN A 34 -10.921 -19.251 -3.304 1.00 0.00 C ATOM 460 OD1 ASN A 34 -9.862 -19.878 -3.342 1.00 0.00 O ATOM 461 ND2 ASN A 34 -11.337 -18.614 -2.217 1.00 0.00 N ATOM 0 H ASN A 34 -10.528 -17.168 -3.921 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.494 -17.612 -5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.664 -19.857 -4.389 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.275 -19.512 -5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.772 -18.632 -1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.222 -18.107 -2.230 1.00 0.00 H new ATOM 468 N GLY A 35 -14.508 -16.660 -4.585 1.00 0.00 N ATOM 469 CA GLY A 35 -15.813 -16.408 -4.002 1.00 0.00 C ATOM 470 C GLY A 35 -16.109 -14.929 -3.862 1.00 0.00 C ATOM 471 O GLY A 35 -16.756 -14.332 -4.725 1.00 0.00 O ATOM 0 H GLY A 35 -14.283 -16.084 -5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.580 -16.872 -4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.867 -16.881 -3.021 1.00 0.00 H new ATOM 475 N THR A 36 -15.638 -14.332 -2.771 1.00 0.00 N ATOM 476 CA THR A 36 -15.858 -12.915 -2.519 1.00 0.00 C ATOM 477 C THR A 36 -14.986 -12.053 -3.425 1.00 0.00 C ATOM 478 O THR A 36 -13.843 -12.404 -3.718 1.00 0.00 O ATOM 479 CB THR A 36 -15.568 -12.553 -1.050 1.00 0.00 C ATOM 480 OG1 THR A 36 -14.367 -13.200 -0.615 1.00 0.00 O ATOM 481 CG2 THR A 36 -16.726 -12.962 -0.153 1.00 0.00 C ATOM 0 H THR A 36 -15.101 -14.810 -2.047 1.00 0.00 H new ATOM 0 HA THR A 36 -16.908 -12.716 -2.734 1.00 0.00 H new ATOM 0 HB THR A 36 -15.443 -11.472 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.188 -12.964 0.319 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.498 -12.696 0.879 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.632 -12.445 -0.469 1.00 0.00 H new ATOM 0 HG23 THR A 36 -16.879 -14.039 -0.225 1.00 0.00 H new ATOM 489 N ASP A 37 -15.530 -10.924 -3.864 1.00 0.00 N ATOM 490 CA ASP A 37 -14.801 -10.010 -4.735 1.00 0.00 C ATOM 491 C ASP A 37 -14.305 -8.796 -3.957 1.00 0.00 C ATOM 492 O ASP A 37 -14.887 -8.417 -2.940 1.00 0.00 O ATOM 493 CB ASP A 37 -15.688 -9.559 -5.896 1.00 0.00 C ATOM 494 CG ASP A 37 -16.475 -8.305 -5.570 1.00 0.00 C ATOM 495 OD1 ASP A 37 -17.541 -8.422 -4.931 1.00 0.00 O ATOM 496 OD2 ASP A 37 -16.023 -7.205 -5.955 1.00 0.00 O ATOM 0 H ASP A 37 -16.475 -10.619 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.937 -10.541 -5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.068 -9.377 -6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.379 -10.361 -6.154 1.00 0.00 H new ATOM 501 N VAL A 38 -13.225 -8.190 -4.440 1.00 0.00 N ATOM 502 CA VAL A 38 -12.650 -7.019 -3.789 1.00 0.00 C ATOM 503 C VAL A 38 -13.382 -5.747 -4.201 1.00 0.00 C ATOM 504 O VAL A 38 -13.318 -5.325 -5.356 1.00 0.00 O ATOM 505 CB VAL A 38 -11.154 -6.868 -4.124 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.527 -5.766 -3.283 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.426 -8.188 -3.918 1.00 0.00 C ATOM 0 H VAL A 38 -12.731 -8.491 -5.280 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.761 -7.168 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.061 -6.588 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.470 -5.674 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.032 -4.821 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.629 -6.012 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.370 -8.063 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.526 -8.500 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.859 -8.948 -4.568 1.00 0.00 H new ATOM 517 N THR A 39 -14.080 -5.136 -3.248 1.00 0.00 N ATOM 518 CA THR A 39 -14.827 -3.913 -3.510 1.00 0.00 C ATOM 519 C THR A 39 -13.893 -2.714 -3.623 1.00 0.00 C ATOM 520 O THR A 39 -13.858 -2.038 -4.652 1.00 0.00 O ATOM 521 CB THR A 39 -15.865 -3.639 -2.406 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.265 -3.814 -1.117 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.061 -4.569 -2.545 1.00 0.00 C ATOM 0 H THR A 39 -14.143 -5.470 -2.286 1.00 0.00 H new ATOM 0 HA THR A 39 -15.347 -4.057 -4.457 1.00 0.00 H new ATOM 0 HB THR A 39 -16.211 -2.611 -2.509 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.882 -3.500 -0.424 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.781 -4.357 -1.754 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.532 -4.414 -3.516 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.728 -5.604 -2.465 1.00 0.00 H new ATOM 531 N GLU A 40 -13.138 -2.454 -2.560 1.00 0.00 N ATOM 532 CA GLU A 40 -12.204 -1.335 -2.541 1.00 0.00 C ATOM 533 C GLU A 40 -10.880 -1.743 -1.902 1.00 0.00 C ATOM 534 O GLU A 40 -10.743 -2.850 -1.381 1.00 0.00 O ATOM 535 CB GLU A 40 -12.806 -0.152 -1.781 1.00 0.00 C ATOM 536 CG GLU A 40 -13.060 -0.438 -0.311 1.00 0.00 C ATOM 537 CD GLU A 40 -14.441 -1.013 -0.057 1.00 0.00 C ATOM 538 OE1 GLU A 40 -15.403 -0.549 -0.703 1.00 0.00 O ATOM 539 OE2 GLU A 40 -14.558 -1.926 0.786 1.00 0.00 O ATOM 0 H GLU A 40 -13.155 -3.003 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.014 -1.036 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.135 0.703 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.746 0.133 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.307 -1.136 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.944 0.483 0.260 1.00 0.00 H new ATOM 546 N TYR A 41 -9.906 -0.840 -1.945 1.00 0.00 N ATOM 547 CA TYR A 41 -8.592 -1.105 -1.375 1.00 0.00 C ATOM 548 C TYR A 41 -8.196 -0.012 -0.386 1.00 0.00 C ATOM 549 O TYR A 41 -8.296 1.177 -0.686 1.00 0.00 O ATOM 550 CB TYR A 41 -7.542 -1.209 -2.483 1.00 0.00 C ATOM 551 CG TYR A 41 -7.464 -2.580 -3.116 1.00 0.00 C ATOM 552 CD1 TYR A 41 -8.257 -2.908 -4.209 1.00 0.00 C ATOM 553 CD2 TYR A 41 -6.599 -3.548 -2.621 1.00 0.00 C ATOM 554 CE1 TYR A 41 -8.190 -4.160 -4.790 1.00 0.00 C ATOM 555 CE2 TYR A 41 -6.523 -4.801 -3.197 1.00 0.00 C ATOM 556 CZ TYR A 41 -7.322 -5.103 -4.281 1.00 0.00 C ATOM 557 OH TYR A 41 -7.251 -6.351 -4.857 1.00 0.00 O ATOM 0 H TYR A 41 -10.003 0.082 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.642 -2.054 -0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.767 -0.474 -3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.566 -0.951 -2.072 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.937 -2.172 -4.611 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.975 -3.317 -1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.814 -4.399 -5.638 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.842 -5.540 -2.801 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.165 -7.030 -4.156 1.00 0.00 H new ATOM 567 N ARG A 42 -7.746 -0.426 0.794 1.00 0.00 N ATOM 568 CA ARG A 42 -7.335 0.516 1.827 1.00 0.00 C ATOM 569 C ARG A 42 -5.816 0.541 1.970 1.00 0.00 C ATOM 570 O ARG A 42 -5.222 -0.361 2.562 1.00 0.00 O ATOM 571 CB ARG A 42 -7.976 0.148 3.167 1.00 0.00 C ATOM 572 CG ARG A 42 -9.335 0.794 3.389 1.00 0.00 C ATOM 573 CD ARG A 42 -9.685 0.860 4.868 1.00 0.00 C ATOM 574 NE ARG A 42 -10.048 -0.450 5.403 1.00 0.00 N ATOM 575 CZ ARG A 42 -10.783 -0.619 6.496 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.232 0.433 7.167 1.00 0.00 N ATOM 577 NH2 ARG A 42 -11.071 -1.842 6.921 1.00 0.00 N ATOM 0 H ARG A 42 -7.657 -1.407 1.058 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.671 1.509 1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.084 -0.935 3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.306 0.444 3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.334 1.800 2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.100 0.227 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.836 1.256 5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.513 1.554 5.014 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.719 -1.280 4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.013 1.375 6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.796 0.300 8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.728 -2.654 6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.636 -1.970 7.761 1.00 0.00 H new ATOM 591 N LEU A 43 -5.193 1.578 1.421 1.00 0.00 N ATOM 592 CA LEU A 43 -3.742 1.720 1.485 1.00 0.00 C ATOM 593 C LEU A 43 -3.342 2.744 2.542 1.00 0.00 C ATOM 594 O LEU A 43 -3.840 3.869 2.551 1.00 0.00 O ATOM 595 CB LEU A 43 -3.190 2.137 0.122 1.00 0.00 C ATOM 596 CG LEU A 43 -1.668 2.246 0.018 1.00 0.00 C ATOM 597 CD1 LEU A 43 -1.014 0.910 0.334 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.261 2.728 -1.366 1.00 0.00 C ATOM 0 H LEU A 43 -5.669 2.333 0.927 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.319 0.754 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.534 1.419 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.622 3.102 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.325 2.977 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.069 1.007 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.278 0.606 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.363 0.158 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.175 2.800 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.617 2.022 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.699 3.708 -1.553 1.00 0.00 H new ATOM 610 N GLU A 44 -2.438 2.346 3.432 1.00 0.00 N ATOM 611 CA GLU A 44 -1.970 3.231 4.493 1.00 0.00 C ATOM 612 C GLU A 44 -0.478 3.516 4.345 1.00 0.00 C ATOM 613 O GLU A 44 0.301 2.630 3.994 1.00 0.00 O ATOM 614 CB GLU A 44 -2.249 2.610 5.864 1.00 0.00 C ATOM 615 CG GLU A 44 -3.709 2.256 6.087 1.00 0.00 C ATOM 616 CD GLU A 44 -4.249 1.315 5.027 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.519 0.380 4.637 1.00 0.00 O ATOM 618 OE2 GLU A 44 -5.401 1.515 4.586 1.00 0.00 O ATOM 0 H GLU A 44 -2.015 1.418 3.440 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.512 4.173 4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.645 1.710 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.930 3.306 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.822 1.795 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.304 3.169 6.094 1.00 0.00 H new ATOM 625 N TRP A 45 -0.090 4.757 4.616 1.00 0.00 N ATOM 626 CA TRP A 45 1.307 5.160 4.512 1.00 0.00 C ATOM 627 C TRP A 45 1.713 6.028 5.698 1.00 0.00 C ATOM 628 O TRP A 45 1.165 7.111 5.902 1.00 0.00 O ATOM 629 CB TRP A 45 1.547 5.916 3.204 1.00 0.00 C ATOM 630 CG TRP A 45 2.953 6.410 3.052 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.537 7.441 3.732 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.951 5.895 2.164 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.838 7.598 3.318 1.00 0.00 N ATOM 634 CE2 TRP A 45 5.117 6.662 2.359 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.975 4.860 1.226 1.00 0.00 C ATOM 636 CZ2 TRP A 45 6.290 6.425 1.647 1.00 0.00 C ATOM 637 CZ3 TRP A 45 5.140 4.626 0.520 1.00 0.00 C ATOM 638 CH2 TRP A 45 6.285 5.405 0.735 1.00 0.00 C ATOM 0 H TRP A 45 -0.723 5.501 4.909 1.00 0.00 H new ATOM 0 HA TRP A 45 1.920 4.259 4.519 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.307 5.262 2.366 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.864 6.764 3.153 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.049 8.043 4.484 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.491 8.299 3.669 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.098 4.253 1.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.173 7.025 1.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.168 3.830 -0.209 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.181 5.196 0.170 1.00 0.00 H new ATOM 649 N GLY A 46 2.677 5.547 6.478 1.00 0.00 N ATOM 650 CA GLY A 46 3.138 6.294 7.633 1.00 0.00 C ATOM 651 C GLY A 46 4.614 6.082 7.908 1.00 0.00 C ATOM 652 O GLY A 46 5.092 4.948 7.929 1.00 0.00 O ATOM 0 H GLY A 46 3.146 4.654 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.950 7.356 7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.562 5.996 8.509 1.00 0.00 H new ATOM 656 N GLY A 47 5.338 7.176 8.121 1.00 0.00 N ATOM 657 CA GLY A 47 6.761 7.082 8.392 1.00 0.00 C ATOM 658 C GLY A 47 7.106 5.901 9.276 1.00 0.00 C ATOM 659 O GLY A 47 8.025 5.138 8.974 1.00 0.00 O ATOM 0 H GLY A 47 4.965 8.125 8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.302 6.997 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.098 8.001 8.871 1.00 0.00 H new ATOM 663 N VAL A 48 6.370 5.747 10.371 1.00 0.00 N ATOM 664 CA VAL A 48 6.603 4.650 11.302 1.00 0.00 C ATOM 665 C VAL A 48 5.412 3.699 11.341 1.00 0.00 C ATOM 666 O VAL A 48 4.268 4.128 11.485 1.00 0.00 O ATOM 667 CB VAL A 48 6.878 5.169 12.726 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.619 4.077 13.753 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.303 5.690 12.838 1.00 0.00 C ATOM 0 H VAL A 48 5.606 6.369 10.636 1.00 0.00 H new ATOM 0 HA VAL A 48 7.481 4.113 10.943 1.00 0.00 H new ATOM 0 HB VAL A 48 6.196 5.995 12.930 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.819 4.463 14.753 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.579 3.756 13.689 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.273 3.228 13.554 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.479 6.053 13.851 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.003 4.885 12.614 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.449 6.506 12.130 1.00 0.00 H new ATOM 679 N GLU A 49 5.689 2.405 11.212 1.00 0.00 N ATOM 680 CA GLU A 49 4.639 1.394 11.232 1.00 0.00 C ATOM 681 C GLU A 49 3.742 1.564 12.454 1.00 0.00 C ATOM 682 O GLU A 49 2.542 1.301 12.399 1.00 0.00 O ATOM 683 CB GLU A 49 5.251 -0.009 11.226 1.00 0.00 C ATOM 684 CG GLU A 49 6.238 -0.237 10.093 1.00 0.00 C ATOM 685 CD GLU A 49 6.929 -1.584 10.184 1.00 0.00 C ATOM 686 OE1 GLU A 49 6.340 -2.586 9.726 1.00 0.00 O ATOM 687 OE2 GLU A 49 8.058 -1.636 10.713 1.00 0.00 O ATOM 0 H GLU A 49 6.631 2.033 11.093 1.00 0.00 H new ATOM 0 HA GLU A 49 4.031 1.522 10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.756 -0.180 12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.451 -0.745 11.153 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.714 -0.165 9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.988 0.554 10.105 1.00 0.00 H new ATOM 694 N GLY A 50 4.336 2.007 13.559 1.00 0.00 N ATOM 695 CA GLY A 50 3.577 2.205 14.780 1.00 0.00 C ATOM 696 C GLY A 50 2.468 3.225 14.615 1.00 0.00 C ATOM 697 O GLY A 50 1.481 3.202 15.350 1.00 0.00 O ATOM 0 H GLY A 50 5.328 2.232 13.630 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.148 1.254 15.095 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.250 2.530 15.574 1.00 0.00 H new ATOM 701 N SER A 51 2.630 4.121 13.648 1.00 0.00 N ATOM 702 CA SER A 51 1.637 5.158 13.393 1.00 0.00 C ATOM 703 C SER A 51 1.397 5.323 11.895 1.00 0.00 C ATOM 704 O SER A 51 2.245 5.848 11.174 1.00 0.00 O ATOM 705 CB SER A 51 2.088 6.489 13.998 1.00 0.00 C ATOM 706 OG SER A 51 1.669 6.603 15.347 1.00 0.00 O ATOM 0 H SER A 51 3.439 4.150 13.028 1.00 0.00 H new ATOM 0 HA SER A 51 0.702 4.853 13.863 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.174 6.568 13.943 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.679 7.314 13.416 1.00 0.00 H new ATOM 0 HG SER A 51 1.971 7.461 15.712 1.00 0.00 H new ATOM 712 N MET A 52 0.236 4.871 11.435 1.00 0.00 N ATOM 713 CA MET A 52 -0.117 4.970 10.023 1.00 0.00 C ATOM 714 C MET A 52 -1.579 5.371 9.855 1.00 0.00 C ATOM 715 O MET A 52 -2.386 5.205 10.769 1.00 0.00 O ATOM 716 CB MET A 52 0.143 3.638 9.316 1.00 0.00 C ATOM 717 CG MET A 52 1.616 3.370 9.049 1.00 0.00 C ATOM 718 SD MET A 52 1.943 1.646 8.632 1.00 0.00 S ATOM 719 CE MET A 52 1.603 1.652 6.874 1.00 0.00 C ATOM 0 H MET A 52 -0.477 4.433 12.018 1.00 0.00 H new ATOM 0 HA MET A 52 0.507 5.741 9.571 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.261 2.828 9.924 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.398 3.627 8.370 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.955 4.008 8.233 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.197 3.643 9.930 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.113 0.812 6.402 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.529 1.563 6.711 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.960 2.585 6.438 1.00 0.00 H new ATOM 729 N GLN A 53 -1.912 5.899 8.680 1.00 0.00 N ATOM 730 CA GLN A 53 -3.277 6.325 8.394 1.00 0.00 C ATOM 731 C GLN A 53 -3.657 5.998 6.954 1.00 0.00 C ATOM 732 O GLN A 53 -2.803 5.644 6.141 1.00 0.00 O ATOM 733 CB GLN A 53 -3.429 7.825 8.648 1.00 0.00 C ATOM 734 CG GLN A 53 -2.676 8.690 7.651 1.00 0.00 C ATOM 735 CD GLN A 53 -3.057 10.155 7.743 1.00 0.00 C ATOM 736 OE1 GLN A 53 -4.187 10.492 8.095 1.00 0.00 O ATOM 737 NE2 GLN A 53 -2.113 11.033 7.427 1.00 0.00 N ATOM 0 H GLN A 53 -1.256 6.041 7.912 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.949 5.783 9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.487 8.085 8.616 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.075 8.052 9.654 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.605 8.586 7.822 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.874 8.330 6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.190 10.708 7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.311 12.033 7.471 1.00 0.00 H new ATOM 746 N ILE A 54 -4.944 6.120 6.645 1.00 0.00 N ATOM 747 CA ILE A 54 -5.438 5.839 5.303 1.00 0.00 C ATOM 748 C ILE A 54 -4.927 6.870 4.302 1.00 0.00 C ATOM 749 O ILE A 54 -5.408 8.003 4.262 1.00 0.00 O ATOM 750 CB ILE A 54 -6.977 5.818 5.262 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.526 4.884 6.342 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.464 5.389 3.885 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.564 3.431 5.922 1.00 0.00 C ATOM 0 H ILE A 54 -5.663 6.412 7.307 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.063 4.853 5.029 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.345 6.825 5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.913 4.979 7.239 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.533 5.203 6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.554 5.379 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.098 6.090 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.089 4.390 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.964 2.827 6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.200 3.323 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.555 3.095 5.683 1.00 0.00 H new ATOM 765 N CYS A 55 -3.950 6.470 3.496 1.00 0.00 N ATOM 766 CA CYS A 55 -3.375 7.360 2.493 1.00 0.00 C ATOM 767 C CYS A 55 -4.285 7.468 1.275 1.00 0.00 C ATOM 768 O CYS A 55 -4.530 8.562 0.765 1.00 0.00 O ATOM 769 CB CYS A 55 -1.993 6.858 2.069 1.00 0.00 C ATOM 770 SG CYS A 55 -1.027 8.062 1.128 1.00 0.00 S ATOM 0 H CYS A 55 -3.540 5.536 3.517 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.274 8.350 2.937 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.432 6.575 2.960 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.114 5.956 1.469 1.00 0.00 H new ATOM 0 HG CYS A 55 -1.264 7.912 -0.141 1.00 0.00 H new ATOM 776 N TYR A 56 -4.783 6.327 0.812 1.00 0.00 N ATOM 777 CA TYR A 56 -5.663 6.292 -0.350 1.00 0.00 C ATOM 778 C TYR A 56 -6.781 5.273 -0.156 1.00 0.00 C ATOM 779 O TYR A 56 -6.582 4.227 0.464 1.00 0.00 O ATOM 780 CB TYR A 56 -4.865 5.958 -1.612 1.00 0.00 C ATOM 781 CG TYR A 56 -5.728 5.538 -2.780 1.00 0.00 C ATOM 782 CD1 TYR A 56 -6.396 6.482 -3.549 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.875 4.198 -3.115 1.00 0.00 C ATOM 784 CE1 TYR A 56 -7.187 6.104 -4.618 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.662 3.810 -4.182 1.00 0.00 C ATOM 786 CZ TYR A 56 -7.315 4.767 -4.930 1.00 0.00 C ATOM 787 OH TYR A 56 -8.101 4.385 -5.993 1.00 0.00 O ATOM 0 H TYR A 56 -4.592 5.414 1.224 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.112 7.279 -0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.276 6.829 -1.901 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.161 5.158 -1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.296 7.530 -3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.365 3.446 -2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.701 6.851 -5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.765 2.764 -4.429 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.671 4.655 -6.831 1.00 0.00 H new ATOM 797 N CYS A 57 -7.956 5.584 -0.692 1.00 0.00 N ATOM 798 CA CYS A 57 -9.107 4.696 -0.579 1.00 0.00 C ATOM 799 C CYS A 57 -9.832 4.572 -1.916 1.00 0.00 C ATOM 800 O CYS A 57 -10.310 5.561 -2.469 1.00 0.00 O ATOM 801 CB CYS A 57 -10.072 5.210 0.491 1.00 0.00 C ATOM 802 SG CYS A 57 -11.557 4.199 0.694 1.00 0.00 S ATOM 0 H CYS A 57 -8.136 6.444 -1.209 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.745 3.710 -0.289 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.547 5.260 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.370 6.227 0.237 1.00 0.00 H new ATOM 0 HG CYS A 57 -12.309 4.713 1.622 1.00 0.00 H new ATOM 808 N GLY A 58 -9.907 3.348 -2.431 1.00 0.00 N ATOM 809 CA GLY A 58 -10.572 3.117 -3.699 1.00 0.00 C ATOM 810 C GLY A 58 -10.154 1.809 -4.344 1.00 0.00 C ATOM 811 O GLY A 58 -9.179 1.177 -3.938 1.00 0.00 O ATOM 0 H GLY A 58 -9.519 2.513 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.651 3.114 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.350 3.940 -4.378 1.00 0.00 H new ATOM 815 N PRO A 59 -10.905 1.385 -5.371 1.00 0.00 N ATOM 816 CA PRO A 59 -10.626 0.140 -6.094 1.00 0.00 C ATOM 817 C PRO A 59 -9.354 0.227 -6.930 1.00 0.00 C ATOM 818 O PRO A 59 -8.846 -0.784 -7.411 1.00 0.00 O ATOM 819 CB PRO A 59 -11.850 -0.026 -6.998 1.00 0.00 C ATOM 820 CG PRO A 59 -12.371 1.357 -7.189 1.00 0.00 C ATOM 821 CD PRO A 59 -12.081 2.089 -5.908 1.00 0.00 C ATOM 0 HA PRO A 59 -10.463 -0.697 -5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.580 -0.482 -7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.598 -0.671 -6.537 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.886 1.844 -8.035 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.441 1.346 -7.399 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.871 3.144 -6.087 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.925 2.044 -5.220 1.00 0.00 H new ATOM 829 N GLY A 60 -8.844 1.443 -7.099 1.00 0.00 N ATOM 830 CA GLY A 60 -7.636 1.639 -7.879 1.00 0.00 C ATOM 831 C GLY A 60 -6.607 0.552 -7.635 1.00 0.00 C ATOM 832 O GLY A 60 -6.637 -0.122 -6.606 1.00 0.00 O ATOM 0 H GLY A 60 -9.246 2.296 -6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.891 1.663 -8.939 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.202 2.608 -7.634 1.00 0.00 H new ATOM 836 N LEU A 61 -5.694 0.381 -8.585 1.00 0.00 N ATOM 837 CA LEU A 61 -4.653 -0.634 -8.471 1.00 0.00 C ATOM 838 C LEU A 61 -3.273 0.011 -8.380 1.00 0.00 C ATOM 839 O LEU A 61 -2.268 -0.674 -8.194 1.00 0.00 O ATOM 840 CB LEU A 61 -4.705 -1.585 -9.667 1.00 0.00 C ATOM 841 CG LEU A 61 -5.973 -2.431 -9.796 1.00 0.00 C ATOM 842 CD1 LEU A 61 -6.007 -3.140 -11.141 1.00 0.00 C ATOM 843 CD2 LEU A 61 -6.060 -3.438 -8.658 1.00 0.00 C ATOM 0 H LEU A 61 -5.654 0.932 -9.442 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.832 -1.201 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.589 -0.998 -10.578 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.848 -2.256 -9.610 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.837 -1.769 -9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.916 -3.737 -11.215 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.992 -2.401 -11.942 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.137 -3.791 -11.231 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.968 -4.031 -8.766 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.191 -4.096 -8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.083 -2.909 -7.705 1.00 0.00 H new ATOM 855 N SER A 62 -3.234 1.333 -8.512 1.00 0.00 N ATOM 856 CA SER A 62 -1.977 2.071 -8.447 1.00 0.00 C ATOM 857 C SER A 62 -2.195 3.467 -7.870 1.00 0.00 C ATOM 858 O SER A 62 -3.160 4.149 -8.216 1.00 0.00 O ATOM 859 CB SER A 62 -1.349 2.175 -9.838 1.00 0.00 C ATOM 860 OG SER A 62 -2.219 2.833 -10.742 1.00 0.00 O ATOM 0 H SER A 62 -4.058 1.915 -8.665 1.00 0.00 H new ATOM 0 HA SER A 62 -1.299 1.527 -7.790 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.406 2.718 -9.775 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.118 1.177 -10.212 1.00 0.00 H new ATOM 0 HG SER A 62 -1.794 2.888 -11.623 1.00 0.00 H new ATOM 866 N TYR A 63 -1.293 3.882 -6.988 1.00 0.00 N ATOM 867 CA TYR A 63 -1.388 5.195 -6.361 1.00 0.00 C ATOM 868 C TYR A 63 -0.006 5.823 -6.198 1.00 0.00 C ATOM 869 O TYR A 63 0.919 5.189 -5.694 1.00 0.00 O ATOM 870 CB TYR A 63 -2.072 5.084 -4.997 1.00 0.00 C ATOM 871 CG TYR A 63 -2.183 6.402 -4.265 1.00 0.00 C ATOM 872 CD1 TYR A 63 -3.215 7.290 -4.547 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.257 6.761 -3.294 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.320 8.496 -3.882 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.356 7.965 -2.623 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.389 8.828 -2.920 1.00 0.00 C ATOM 877 OH TYR A 63 -2.490 10.029 -2.256 1.00 0.00 O ATOM 0 H TYR A 63 -0.489 3.329 -6.691 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.985 5.836 -7.010 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.071 4.669 -5.134 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.516 4.380 -4.378 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.947 7.032 -5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.446 6.088 -3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.127 9.175 -4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.628 8.228 -1.870 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.757 10.108 -1.610 1.00 0.00 H new ATOM 887 N GLU A 64 0.123 7.073 -6.632 1.00 0.00 N ATOM 888 CA GLU A 64 1.391 7.786 -6.536 1.00 0.00 C ATOM 889 C GLU A 64 1.432 8.657 -5.283 1.00 0.00 C ATOM 890 O GLU A 64 0.467 9.354 -4.967 1.00 0.00 O ATOM 891 CB GLU A 64 1.610 8.651 -7.778 1.00 0.00 C ATOM 892 CG GLU A 64 3.038 9.147 -7.931 1.00 0.00 C ATOM 893 CD GLU A 64 3.188 10.162 -9.048 1.00 0.00 C ATOM 894 OE1 GLU A 64 2.719 11.306 -8.877 1.00 0.00 O ATOM 895 OE2 GLU A 64 3.773 9.809 -10.094 1.00 0.00 O ATOM 0 H GLU A 64 -0.634 7.612 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 64 2.190 7.047 -6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.337 8.076 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.939 9.509 -7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.365 9.594 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.694 8.299 -8.126 1.00 0.00 H new ATOM 902 N ILE A 65 2.554 8.609 -4.573 1.00 0.00 N ATOM 903 CA ILE A 65 2.721 9.393 -3.356 1.00 0.00 C ATOM 904 C ILE A 65 3.804 10.453 -3.529 1.00 0.00 C ATOM 905 O ILE A 65 4.834 10.208 -4.158 1.00 0.00 O ATOM 906 CB ILE A 65 3.082 8.499 -2.156 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.864 7.686 -1.712 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.609 9.343 -1.005 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.217 6.462 -0.898 1.00 0.00 C ATOM 0 H ILE A 65 3.361 8.036 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 65 1.766 9.881 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 65 3.866 7.806 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.206 8.325 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.303 7.376 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.860 8.696 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.500 9.881 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.845 10.057 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.305 5.935 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.850 5.801 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.751 6.765 0.002 1.00 0.00 H new ATOM 921 N LYS A 66 3.565 11.633 -2.966 1.00 0.00 N ATOM 922 CA LYS A 66 4.520 12.731 -3.054 1.00 0.00 C ATOM 923 C LYS A 66 4.518 13.557 -1.772 1.00 0.00 C ATOM 924 O LYS A 66 3.677 13.360 -0.896 1.00 0.00 O ATOM 925 CB LYS A 66 4.190 13.626 -4.250 1.00 0.00 C ATOM 926 CG LYS A 66 4.196 12.891 -5.580 1.00 0.00 C ATOM 927 CD LYS A 66 3.584 13.735 -6.686 1.00 0.00 C ATOM 928 CE LYS A 66 4.476 14.914 -7.043 1.00 0.00 C ATOM 929 NZ LYS A 66 3.910 15.717 -8.164 1.00 0.00 N ATOM 0 H LYS A 66 2.717 11.853 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 66 5.514 12.305 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.209 14.075 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.911 14.442 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.219 12.627 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.641 11.958 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.423 13.118 -7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.607 14.099 -6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.604 15.551 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.466 14.550 -7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.546 16.511 -8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.811 15.116 -9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.977 16.085 -7.891 1.00 0.00 H new ATOM 943 N GLY A 67 5.466 14.484 -1.670 1.00 0.00 N ATOM 944 CA GLY A 67 5.556 15.327 -0.492 1.00 0.00 C ATOM 945 C GLY A 67 6.233 14.629 0.671 1.00 0.00 C ATOM 946 O GLY A 67 5.887 14.860 1.831 1.00 0.00 O ATOM 0 H GLY A 67 6.173 14.666 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.109 16.233 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.554 15.636 -0.193 1.00 0.00 H new ATOM 950 N LEU A 68 7.199 13.771 0.363 1.00 0.00 N ATOM 951 CA LEU A 68 7.926 13.036 1.392 1.00 0.00 C ATOM 952 C LEU A 68 9.278 13.684 1.673 1.00 0.00 C ATOM 953 O LEU A 68 9.719 14.566 0.937 1.00 0.00 O ATOM 954 CB LEU A 68 8.125 11.581 0.961 1.00 0.00 C ATOM 955 CG LEU A 68 6.903 10.887 0.355 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.317 9.613 -0.365 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.874 10.583 1.433 1.00 0.00 C ATOM 0 H LEU A 68 7.497 13.567 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 68 7.335 13.061 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.936 11.546 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.451 11.007 1.829 1.00 0.00 H new ATOM 0 HG LEU A 68 6.449 11.560 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.436 9.132 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.017 9.858 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.795 8.935 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.012 10.090 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.316 9.929 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.555 11.513 1.904 1.00 0.00 H new ATOM 969 N SER A 69 9.931 13.238 2.741 1.00 0.00 N ATOM 970 CA SER A 69 11.233 13.775 3.120 1.00 0.00 C ATOM 971 C SER A 69 12.344 12.775 2.815 1.00 0.00 C ATOM 972 O SER A 69 12.177 11.564 2.951 1.00 0.00 O ATOM 973 CB SER A 69 11.247 14.133 4.607 1.00 0.00 C ATOM 974 OG SER A 69 10.597 15.371 4.840 1.00 0.00 O ATOM 0 H SER A 69 9.580 12.506 3.359 1.00 0.00 H new ATOM 0 HA SER A 69 11.410 14.677 2.535 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.754 13.347 5.178 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.276 14.187 4.962 1.00 0.00 H new ATOM 0 HG SER A 69 10.618 15.576 5.798 1.00 0.00 H new ATOM 980 N PRO A 70 13.506 13.294 2.392 1.00 0.00 N ATOM 981 CA PRO A 70 14.669 12.465 2.060 1.00 0.00 C ATOM 982 C PRO A 70 15.293 11.819 3.292 1.00 0.00 C ATOM 983 O PRO A 70 15.145 12.319 4.407 1.00 0.00 O ATOM 984 CB PRO A 70 15.644 13.459 1.426 1.00 0.00 C ATOM 985 CG PRO A 70 15.264 14.781 2.000 1.00 0.00 C ATOM 986 CD PRO A 70 13.776 14.730 2.207 1.00 0.00 C ATOM 0 HA PRO A 70 14.403 11.633 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.677 13.206 1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.558 13.460 0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.783 14.961 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.537 15.592 1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.471 15.311 3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.237 15.133 1.350 1.00 0.00 H new ATOM 994 N ALA A 71 15.990 10.707 3.083 1.00 0.00 N ATOM 995 CA ALA A 71 16.637 9.996 4.178 1.00 0.00 C ATOM 996 C ALA A 71 15.658 9.731 5.317 1.00 0.00 C ATOM 997 O ALA A 71 15.944 10.031 6.476 1.00 0.00 O ATOM 998 CB ALA A 71 17.838 10.784 4.683 1.00 0.00 C ATOM 0 H ALA A 71 16.121 10.280 2.166 1.00 0.00 H new ATOM 0 HA ALA A 71 16.981 9.033 3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.312 10.241 5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.554 10.915 3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.509 11.761 5.038 1.00 0.00 H new ATOM 1004 N THR A 72 14.503 9.168 4.979 1.00 0.00 N ATOM 1005 CA THR A 72 13.481 8.864 5.973 1.00 0.00 C ATOM 1006 C THR A 72 12.843 7.505 5.708 1.00 0.00 C ATOM 1007 O THR A 72 12.648 7.112 4.557 1.00 0.00 O ATOM 1008 CB THR A 72 12.379 9.940 5.991 1.00 0.00 C ATOM 1009 OG1 THR A 72 12.935 11.205 6.366 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.269 9.562 6.960 1.00 0.00 C ATOM 0 H THR A 72 14.251 8.913 4.024 1.00 0.00 H new ATOM 0 HA THR A 72 13.978 8.846 6.943 1.00 0.00 H new ATOM 0 HB THR A 72 11.956 10.012 4.989 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.610 11.474 5.708 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.502 10.337 6.955 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.828 8.613 6.655 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.681 9.465 7.965 1.00 0.00 H new ATOM 1018 N THR A 73 12.521 6.789 6.781 1.00 0.00 N ATOM 1019 CA THR A 73 11.905 5.473 6.665 1.00 0.00 C ATOM 1020 C THR A 73 10.390 5.583 6.555 1.00 0.00 C ATOM 1021 O THR A 73 9.772 6.443 7.183 1.00 0.00 O ATOM 1022 CB THR A 73 12.259 4.581 7.870 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.655 4.684 8.165 1.00 0.00 O ATOM 1024 CG2 THR A 73 11.901 3.128 7.590 1.00 0.00 C ATOM 0 H THR A 73 12.677 7.099 7.740 1.00 0.00 H new ATOM 0 HA THR A 73 12.299 5.017 5.757 1.00 0.00 H new ATOM 0 HB THR A 73 11.682 4.924 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.870 4.115 8.933 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.160 2.516 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.831 3.048 7.396 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.455 2.778 6.719 1.00 0.00 H new ATOM 1032 N TYR A 74 9.794 4.706 5.753 1.00 0.00 N ATOM 1033 CA TYR A 74 8.349 4.706 5.559 1.00 0.00 C ATOM 1034 C TYR A 74 7.815 3.281 5.449 1.00 0.00 C ATOM 1035 O TYR A 74 8.582 2.326 5.331 1.00 0.00 O ATOM 1036 CB TYR A 74 7.982 5.498 4.304 1.00 0.00 C ATOM 1037 CG TYR A 74 8.179 6.990 4.450 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.196 7.789 5.020 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.350 7.602 4.018 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.371 9.152 5.155 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.536 8.964 4.150 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.543 9.735 4.719 1.00 0.00 C ATOM 1043 OH TYR A 74 8.723 11.092 4.851 1.00 0.00 O ATOM 0 H TYR A 74 10.290 3.986 5.227 1.00 0.00 H new ATOM 0 HA TYR A 74 7.891 5.181 6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.585 5.140 3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.940 5.301 4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.278 7.336 5.364 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.128 7.001 3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.595 9.758 5.599 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.453 9.423 3.810 1.00 0.00 H new ATOM 0 HH TYR A 74 9.677 11.286 4.964 1.00 0.00 H new ATOM 1053 N TYR A 75 6.494 3.148 5.490 1.00 0.00 N ATOM 1054 CA TYR A 75 5.854 1.840 5.396 1.00 0.00 C ATOM 1055 C TYR A 75 4.509 1.941 4.684 1.00 0.00 C ATOM 1056 O TYR A 75 3.833 2.968 4.752 1.00 0.00 O ATOM 1057 CB TYR A 75 5.662 1.243 6.791 1.00 0.00 C ATOM 1058 CG TYR A 75 6.939 1.164 7.598 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.768 0.052 7.515 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.316 2.202 8.441 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.935 -0.024 8.251 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.482 2.134 9.179 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.287 1.019 9.081 1.00 0.00 C ATOM 1064 OH TYR A 75 10.449 0.948 9.814 1.00 0.00 O ATOM 0 H TYR A 75 5.845 3.929 5.588 1.00 0.00 H new ATOM 0 HA TYR A 75 6.504 1.186 4.814 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.934 1.843 7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.241 0.242 6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.496 -0.766 6.865 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.687 3.076 8.521 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.568 -0.896 8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.761 2.950 9.829 1.00 0.00 H new ATOM 0 HH TYR A 75 10.550 1.765 10.346 1.00 0.00 H new ATOM 1074 N CYS A 76 4.128 0.868 4.001 1.00 0.00 N ATOM 1075 CA CYS A 76 2.863 0.834 3.274 1.00 0.00 C ATOM 1076 C CYS A 76 2.240 -0.557 3.334 1.00 0.00 C ATOM 1077 O CYS A 76 2.942 -1.566 3.282 1.00 0.00 O ATOM 1078 CB CYS A 76 3.077 1.248 1.817 1.00 0.00 C ATOM 1079 SG CYS A 76 3.671 -0.086 0.750 1.00 0.00 S ATOM 0 H CYS A 76 4.676 0.010 3.935 1.00 0.00 H new ATOM 0 HA CYS A 76 2.180 1.539 3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.137 1.628 1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.792 2.070 1.785 1.00 0.00 H new ATOM 0 HG CYS A 76 3.761 -1.185 1.439 1.00 0.00 H new ATOM 1085 N ARG A 77 0.916 -0.601 3.445 1.00 0.00 N ATOM 1086 CA ARG A 77 0.198 -1.868 3.516 1.00 0.00 C ATOM 1087 C ARG A 77 -1.113 -1.793 2.738 1.00 0.00 C ATOM 1088 O ARG A 77 -1.824 -0.791 2.794 1.00 0.00 O ATOM 1089 CB ARG A 77 -0.083 -2.241 4.972 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.780 -1.142 5.759 1.00 0.00 C ATOM 1091 CD ARG A 77 -0.427 -1.205 7.236 1.00 0.00 C ATOM 1092 NE ARG A 77 -1.113 -0.171 8.008 1.00 0.00 N ATOM 1093 CZ ARG A 77 -1.343 -0.258 9.313 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -0.944 -1.327 9.990 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -1.973 0.724 9.944 1.00 0.00 N ATOM 0 H ARG A 77 0.320 0.225 3.488 1.00 0.00 H new ATOM 0 HA ARG A 77 0.826 -2.637 3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.699 -3.140 4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.858 -2.487 5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.496 -0.169 5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.859 -1.234 5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.691 -2.186 7.630 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.650 -1.092 7.356 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.433 0.664 7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.459 -2.084 9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.122 -1.392 10.992 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.281 1.547 9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.149 0.656 10.946 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.427 -2.862 2.011 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.652 -2.918 1.224 1.00 0.00 C ATOM 1111 C VAL A 78 -3.462 -4.165 1.556 1.00 0.00 C ATOM 1112 O VAL A 78 -2.924 -5.271 1.606 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.349 -2.903 -0.287 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.599 -4.162 -0.694 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.634 -2.756 -1.086 1.00 0.00 C ATOM 0 H VAL A 78 -0.849 -3.700 1.952 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.233 -2.032 1.480 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.713 -2.045 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.394 -4.133 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.659 -4.219 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.206 -5.038 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.401 -2.747 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.297 -3.593 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.126 -1.822 -0.815 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.759 -3.981 1.779 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.644 -5.092 2.106 1.00 0.00 C ATOM 1127 C GLN A 79 -6.838 -5.134 1.158 1.00 0.00 C ATOM 1128 O GLN A 79 -7.171 -4.137 0.519 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.129 -4.977 3.552 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.163 -3.882 3.761 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.809 -3.943 5.132 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -7.690 -3.011 5.928 1.00 0.00 O ATOM 1133 NE2 GLN A 79 -8.496 -5.043 5.415 1.00 0.00 N ATOM 0 H GLN A 79 -5.220 -3.072 1.739 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.081 -6.018 1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.555 -5.932 3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.273 -4.786 4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.688 -2.910 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.935 -3.965 2.996 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.568 -5.791 4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.951 -5.141 6.322 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.479 -6.296 1.073 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.637 -6.467 0.205 1.00 0.00 C ATOM 1144 C ALA A 80 -9.933 -6.460 1.010 1.00 0.00 C ATOM 1145 O ALA A 80 -10.092 -7.232 1.956 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.514 -7.759 -0.590 1.00 0.00 C ATOM 0 H ALA A 80 -7.215 -7.132 1.595 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.667 -5.627 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.386 -7.874 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.613 -7.725 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.456 -8.604 0.096 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.855 -5.585 0.628 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.138 -5.476 1.315 1.00 0.00 C ATOM 1154 C LEU A 81 -13.254 -6.103 0.487 1.00 0.00 C ATOM 1155 O LEU A 81 -13.382 -5.831 -0.707 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.463 -4.009 1.603 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.754 -3.389 2.807 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.394 -2.843 2.402 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.611 -2.290 3.421 1.00 0.00 C ATOM 0 H LEU A 81 -10.739 -4.940 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.063 -6.016 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.215 -3.422 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.539 -3.919 1.754 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.602 -4.166 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.904 -2.405 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.780 -3.653 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.522 -2.079 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.092 -1.859 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.793 -1.513 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.562 -2.710 3.748 1.00 0.00 H new ATOM 1171 N SER A 82 -14.061 -6.944 1.128 1.00 0.00 N ATOM 1172 CA SER A 82 -15.165 -7.611 0.450 1.00 0.00 C ATOM 1173 C SER A 82 -16.503 -7.205 1.061 1.00 0.00 C ATOM 1174 O SER A 82 -16.558 -6.369 1.963 1.00 0.00 O ATOM 1175 CB SER A 82 -14.996 -9.129 0.527 1.00 0.00 C ATOM 1176 OG SER A 82 -15.006 -9.577 1.871 1.00 0.00 O ATOM 0 H SER A 82 -13.970 -7.179 2.116 1.00 0.00 H new ATOM 0 HA SER A 82 -15.155 -7.304 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.798 -9.616 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.059 -9.418 0.051 1.00 0.00 H new ATOM 0 HG SER A 82 -14.330 -9.087 2.384 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.580 -7.804 0.563 1.00 0.00 N ATOM 1183 CA VAL A 83 -18.918 -7.507 1.060 1.00 0.00 C ATOM 1184 C VAL A 83 -19.286 -8.416 2.228 1.00 0.00 C ATOM 1185 O VAL A 83 -20.347 -8.270 2.833 1.00 0.00 O ATOM 1186 CB VAL A 83 -19.976 -7.663 -0.048 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.863 -6.530 -1.057 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.834 -9.014 -0.734 1.00 0.00 C ATOM 0 H VAL A 83 -17.552 -8.498 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.906 -6.471 1.399 1.00 0.00 H new ATOM 0 HB VAL A 83 -20.965 -7.615 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.618 -6.657 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.018 -5.576 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.872 -6.544 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.590 -9.107 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.842 -9.094 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.969 -9.810 -0.002 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.398 -9.355 2.542 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.627 -10.287 3.639 1.00 0.00 C ATOM 1200 C VAL A 84 -17.714 -9.980 4.821 1.00 0.00 C ATOM 1201 O VAL A 84 -17.777 -10.641 5.856 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.400 -11.744 3.195 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -16.924 -12.104 3.278 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.237 -12.694 4.036 1.00 0.00 C ATOM 0 H VAL A 84 -17.514 -9.490 2.052 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.666 -10.166 3.945 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.715 -11.842 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.783 -13.137 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.351 -11.443 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.579 -11.990 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.064 -13.719 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.956 -12.596 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.293 -12.449 3.919 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.864 -8.970 4.659 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.950 -8.592 5.721 1.00 0.00 C ATOM 1216 C GLY A 85 -14.557 -8.284 5.205 1.00 0.00 C ATOM 1217 O GLY A 85 -14.084 -8.918 4.263 1.00 0.00 O ATOM 0 H GLY A 85 -16.792 -8.407 3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.343 -7.718 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.893 -9.399 6.452 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.901 -7.309 5.824 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.556 -6.919 5.422 1.00 0.00 C ATOM 1223 C ALA A 86 -11.572 -8.069 5.607 1.00 0.00 C ATOM 1224 O ALA A 86 -11.751 -8.917 6.482 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.100 -5.700 6.211 1.00 0.00 C ATOM 0 H ALA A 86 -14.279 -6.775 6.606 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.581 -6.663 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.093 -5.421 5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.781 -4.870 6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.098 -5.935 7.275 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.532 -8.094 4.778 1.00 0.00 N ATOM 1232 CA GLY A 87 -9.537 -9.146 4.868 1.00 0.00 C ATOM 1233 C GLY A 87 -8.271 -8.688 5.566 1.00 0.00 C ATOM 1234 O GLY A 87 -8.144 -7.533 5.971 1.00 0.00 O ATOM 0 H GLY A 87 -10.361 -7.404 4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.958 -9.995 5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.290 -9.495 3.865 1.00 0.00 H new ATOM 1238 N PRO A 88 -7.307 -9.608 5.714 1.00 0.00 N ATOM 1239 CA PRO A 88 -6.027 -9.316 6.368 1.00 0.00 C ATOM 1240 C PRO A 88 -5.150 -8.388 5.535 1.00 0.00 C ATOM 1241 O PRO A 88 -5.365 -8.225 4.334 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.374 -10.695 6.500 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.982 -11.508 5.410 1.00 0.00 C ATOM 1244 CD PRO A 88 -7.391 -11.005 5.253 1.00 0.00 C ATOM 0 HA PRO A 88 -6.162 -8.801 7.319 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.291 -10.632 6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.571 -11.134 7.478 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.422 -11.396 4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.972 -12.568 5.662 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.727 -11.067 4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.094 -11.584 5.852 1.00 0.00 H new ATOM 1252 N PHE A 89 -4.158 -7.783 6.181 1.00 0.00 N ATOM 1253 CA PHE A 89 -3.248 -6.869 5.500 1.00 0.00 C ATOM 1254 C PHE A 89 -2.059 -7.625 4.913 1.00 0.00 C ATOM 1255 O PHE A 89 -1.763 -8.750 5.317 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.755 -5.792 6.467 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.660 -4.595 6.545 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.675 -3.655 5.528 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.496 -4.413 7.635 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.507 -2.553 5.598 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.330 -3.314 7.709 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.337 -2.383 6.689 1.00 0.00 C ATOM 0 H PHE A 89 -3.964 -7.909 7.174 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.793 -6.393 4.685 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.655 -6.227 7.462 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.761 -5.467 6.159 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.030 -3.784 4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.496 -5.138 8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.508 -1.825 4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.976 -3.183 8.564 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.990 -1.524 6.744 1.00 0.00 H new ATOM 1272 N SER A 90 -1.381 -6.998 3.957 1.00 0.00 N ATOM 1273 CA SER A 90 -0.227 -7.611 3.311 1.00 0.00 C ATOM 1274 C SER A 90 1.031 -7.426 4.155 1.00 0.00 C ATOM 1275 O SER A 90 0.975 -6.889 5.261 1.00 0.00 O ATOM 1276 CB SER A 90 -0.015 -7.011 1.921 1.00 0.00 C ATOM 1277 OG SER A 90 -0.048 -5.595 1.966 1.00 0.00 O ATOM 0 H SER A 90 -1.611 -6.066 3.613 1.00 0.00 H new ATOM 0 HA SER A 90 -0.423 -8.679 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.943 -7.343 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.787 -7.374 1.243 1.00 0.00 H new ATOM 0 HG SER A 90 0.643 -5.233 1.373 1.00 0.00 H new ATOM 1283 N GLU A 91 2.165 -7.872 3.623 1.00 0.00 N ATOM 1284 CA GLU A 91 3.436 -7.756 4.326 1.00 0.00 C ATOM 1285 C GLU A 91 3.963 -6.325 4.265 1.00 0.00 C ATOM 1286 O GLU A 91 4.260 -5.807 3.188 1.00 0.00 O ATOM 1287 CB GLU A 91 4.466 -8.717 3.728 1.00 0.00 C ATOM 1288 CG GLU A 91 4.405 -10.117 4.315 1.00 0.00 C ATOM 1289 CD GLU A 91 4.766 -10.149 5.786 1.00 0.00 C ATOM 1290 OE1 GLU A 91 3.888 -9.845 6.621 1.00 0.00 O ATOM 1291 OE2 GLU A 91 5.929 -10.479 6.105 1.00 0.00 O ATOM 0 H GLU A 91 2.229 -8.317 2.707 1.00 0.00 H new ATOM 0 HA GLU A 91 3.269 -8.019 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.312 -8.777 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.465 -8.310 3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.400 -10.519 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.084 -10.768 3.764 1.00 0.00 H new ATOM 1298 N VAL A 92 4.077 -5.692 5.428 1.00 0.00 N ATOM 1299 CA VAL A 92 4.569 -4.321 5.507 1.00 0.00 C ATOM 1300 C VAL A 92 5.843 -4.146 4.688 1.00 0.00 C ATOM 1301 O VAL A 92 6.861 -4.782 4.960 1.00 0.00 O ATOM 1302 CB VAL A 92 4.847 -3.908 6.964 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.509 -2.540 7.014 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.561 -3.917 7.775 1.00 0.00 C ATOM 0 H VAL A 92 3.836 -6.106 6.328 1.00 0.00 H new ATOM 0 HA VAL A 92 3.788 -3.680 5.098 1.00 0.00 H new ATOM 0 HB VAL A 92 5.532 -4.633 7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.698 -2.265 8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.453 -2.572 6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.852 -1.801 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.777 -3.623 8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.850 -3.216 7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.133 -4.919 7.767 1.00 0.00 H new ATOM 1314 N VAL A 93 5.779 -3.277 3.683 1.00 0.00 N ATOM 1315 CA VAL A 93 6.928 -3.017 2.824 1.00 0.00 C ATOM 1316 C VAL A 93 7.637 -1.730 3.231 1.00 0.00 C ATOM 1317 O VAL A 93 7.178 -0.632 2.918 1.00 0.00 O ATOM 1318 CB VAL A 93 6.512 -2.915 1.345 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.736 -2.757 0.456 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.700 -4.135 0.936 1.00 0.00 C ATOM 0 H VAL A 93 4.944 -2.742 3.444 1.00 0.00 H new ATOM 0 HA VAL A 93 7.610 -3.859 2.944 1.00 0.00 H new ATOM 0 HB VAL A 93 5.886 -2.031 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.423 -2.687 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.274 -1.851 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.390 -3.620 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.414 -4.047 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.300 -5.034 1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.803 -4.199 1.553 1.00 0.00 H new ATOM 1330 N ALA A 94 8.758 -1.874 3.929 1.00 0.00 N ATOM 1331 CA ALA A 94 9.532 -0.722 4.377 1.00 0.00 C ATOM 1332 C ALA A 94 10.317 -0.106 3.223 1.00 0.00 C ATOM 1333 O ALA A 94 10.845 -0.819 2.369 1.00 0.00 O ATOM 1334 CB ALA A 94 10.473 -1.125 5.503 1.00 0.00 C ATOM 0 H ALA A 94 9.151 -2.776 4.197 1.00 0.00 H new ATOM 0 HA ALA A 94 8.837 0.030 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.045 -0.256 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.893 -1.512 6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.156 -1.896 5.148 1.00 0.00 H new ATOM 1340 N CYS A 95 10.389 1.220 3.205 1.00 0.00 N ATOM 1341 CA CYS A 95 11.109 1.931 2.154 1.00 0.00 C ATOM 1342 C CYS A 95 11.725 3.219 2.693 1.00 0.00 C ATOM 1343 O CYS A 95 11.033 4.054 3.276 1.00 0.00 O ATOM 1344 CB CYS A 95 10.170 2.250 0.989 1.00 0.00 C ATOM 1345 SG CYS A 95 8.824 3.380 1.414 1.00 0.00 S ATOM 0 H CYS A 95 9.958 1.824 3.905 1.00 0.00 H new ATOM 0 HA CYS A 95 11.912 1.286 1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.752 2.684 0.176 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.744 1.319 0.614 1.00 0.00 H new ATOM 0 HG CYS A 95 7.913 3.337 0.488 1.00 0.00 H new ATOM 1351 N VAL A 96 13.030 3.372 2.496 1.00 0.00 N ATOM 1352 CA VAL A 96 13.741 4.557 2.962 1.00 0.00 C ATOM 1353 C VAL A 96 14.127 5.460 1.797 1.00 0.00 C ATOM 1354 O VAL A 96 14.917 5.074 0.933 1.00 0.00 O ATOM 1355 CB VAL A 96 15.010 4.178 3.748 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.726 5.426 4.239 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.662 3.260 4.910 1.00 0.00 C ATOM 0 H VAL A 96 13.617 2.690 2.016 1.00 0.00 H new ATOM 0 HA VAL A 96 13.061 5.094 3.623 1.00 0.00 H new ATOM 0 HB VAL A 96 15.684 3.641 3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.620 5.139 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.010 6.042 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.062 5.993 4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.570 3.002 5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 96 13.969 3.768 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.197 2.351 4.529 1.00 0.00 H new ATOM 1367 N THR A 97 13.568 6.665 1.778 1.00 0.00 N ATOM 1368 CA THR A 97 13.855 7.624 0.718 1.00 0.00 C ATOM 1369 C THR A 97 15.311 8.074 0.763 1.00 0.00 C ATOM 1370 O THR A 97 15.929 8.153 1.823 1.00 0.00 O ATOM 1371 CB THR A 97 12.943 8.862 0.820 1.00 0.00 C ATOM 1372 OG1 THR A 97 12.902 9.330 2.172 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.535 8.537 0.346 1.00 0.00 C ATOM 0 H THR A 97 12.914 7.001 2.485 1.00 0.00 H new ATOM 0 HA THR A 97 13.664 7.117 -0.228 1.00 0.00 H new ATOM 0 HB THR A 97 13.353 9.642 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.516 10.230 2.195 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.909 9.426 0.427 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.567 8.210 -0.693 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.118 7.742 0.964 1.00 0.00 H new ATOM 1381 N PRO A 98 15.873 8.378 -0.418 1.00 0.00 N ATOM 1382 CA PRO A 98 17.263 8.826 -0.540 1.00 0.00 C ATOM 1383 C PRO A 98 17.473 10.224 0.032 1.00 0.00 C ATOM 1384 O PRO A 98 16.579 11.070 0.012 1.00 0.00 O ATOM 1385 CB PRO A 98 17.505 8.825 -2.051 1.00 0.00 C ATOM 1386 CG PRO A 98 16.153 8.999 -2.652 1.00 0.00 C ATOM 1387 CD PRO A 98 15.195 8.307 -1.723 1.00 0.00 C ATOM 0 HA PRO A 98 17.948 8.185 0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.176 9.632 -2.345 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.966 7.893 -2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.904 10.055 -2.753 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.111 8.564 -3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.226 8.806 -1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.015 7.276 -2.027 1.00 0.00 H new ATOM 1395 N PRO A 99 18.683 10.477 0.551 1.00 0.00 N ATOM 1396 CA PRO A 99 19.039 11.772 1.137 1.00 0.00 C ATOM 1397 C PRO A 99 19.155 12.872 0.087 1.00 0.00 C ATOM 1398 O PRO A 99 19.678 12.647 -1.005 1.00 0.00 O ATOM 1399 CB PRO A 99 20.401 11.507 1.785 1.00 0.00 C ATOM 1400 CG PRO A 99 20.969 10.365 1.016 1.00 0.00 C ATOM 1401 CD PRO A 99 19.797 9.516 0.608 1.00 0.00 C ATOM 0 HA PRO A 99 18.280 12.124 1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.045 12.384 1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.296 11.260 2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.518 10.717 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.670 9.795 1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.964 9.037 -0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.606 8.722 1.329 1.00 0.00 H new ATOM 1409 N SER A 100 18.663 14.059 0.423 1.00 0.00 N ATOM 1410 CA SER A 100 18.708 15.193 -0.493 1.00 0.00 C ATOM 1411 C SER A 100 19.750 16.213 -0.046 1.00 0.00 C ATOM 1412 O SER A 100 19.457 17.111 0.744 1.00 0.00 O ATOM 1413 CB SER A 100 17.332 15.857 -0.584 1.00 0.00 C ATOM 1414 OG SER A 100 17.272 16.757 -1.677 1.00 0.00 O ATOM 0 H SER A 100 18.228 14.261 1.323 1.00 0.00 H new ATOM 0 HA SER A 100 18.990 14.821 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.563 15.093 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.120 16.390 0.343 1.00 0.00 H new ATOM 0 HG SER A 100 16.383 17.167 -1.715 1.00 0.00 H new ATOM 1420 N SER A 101 20.969 16.068 -0.556 1.00 0.00 N ATOM 1421 CA SER A 101 22.056 16.973 -0.207 1.00 0.00 C ATOM 1422 C SER A 101 21.749 18.395 -0.667 1.00 0.00 C ATOM 1423 O SER A 101 22.009 19.361 0.049 1.00 0.00 O ATOM 1424 CB SER A 101 23.367 16.495 -0.833 1.00 0.00 C ATOM 1425 OG SER A 101 23.816 15.297 -0.224 1.00 0.00 O ATOM 0 H SER A 101 21.228 15.332 -1.213 1.00 0.00 H new ATOM 0 HA SER A 101 22.159 16.975 0.878 1.00 0.00 H new ATOM 0 HB2 SER A 101 23.225 16.333 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 101 24.128 17.268 -0.726 1.00 0.00 H new ATOM 0 HG SER A 101 24.655 15.011 -0.643 1.00 0.00 H new ATOM 1431 N GLY A 102 21.192 18.514 -1.868 1.00 0.00 N ATOM 1432 CA GLY A 102 20.858 19.821 -2.404 1.00 0.00 C ATOM 1433 C GLY A 102 21.148 19.930 -3.888 1.00 0.00 C ATOM 1434 O GLY A 102 22.092 19.331 -4.404 1.00 0.00 O ATOM 0 H GLY A 102 20.966 17.729 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 102 19.802 20.024 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 102 21.423 20.585 -1.869 1.00 0.00 H new ATOM 1438 N PRO A 103 20.321 20.709 -4.601 1.00 0.00 N ATOM 1439 CA PRO A 103 20.473 20.912 -6.045 1.00 0.00 C ATOM 1440 C PRO A 103 21.707 21.739 -6.388 1.00 0.00 C ATOM 1441 O PRO A 103 22.235 22.464 -5.544 1.00 0.00 O ATOM 1442 CB PRO A 103 19.199 21.668 -6.432 1.00 0.00 C ATOM 1443 CG PRO A 103 18.773 22.359 -5.183 1.00 0.00 C ATOM 1444 CD PRO A 103 19.176 21.455 -4.051 1.00 0.00 C ATOM 0 HA PRO A 103 20.606 19.970 -6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 103 19.390 22.382 -7.233 1.00 0.00 H new ATOM 0 HB3 PRO A 103 18.428 20.986 -6.790 1.00 0.00 H new ATOM 0 HG2 PRO A 103 19.252 23.334 -5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.697 22.532 -5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 103 19.455 22.023 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 103 18.364 20.788 -3.761 1.00 0.00 H new ATOM 1452 N SER A 104 22.162 21.626 -7.632 1.00 0.00 N ATOM 1453 CA SER A 104 23.337 22.362 -8.085 1.00 0.00 C ATOM 1454 C SER A 104 23.310 22.550 -9.598 1.00 0.00 C ATOM 1455 O SER A 104 22.928 21.645 -10.341 1.00 0.00 O ATOM 1456 CB SER A 104 24.615 21.627 -7.674 1.00 0.00 C ATOM 1457 OG SER A 104 24.648 21.407 -6.274 1.00 0.00 O ATOM 0 H SER A 104 21.735 21.033 -8.343 1.00 0.00 H new ATOM 0 HA SER A 104 23.324 23.345 -7.614 1.00 0.00 H new ATOM 0 HB2 SER A 104 24.674 20.672 -8.197 1.00 0.00 H new ATOM 0 HB3 SER A 104 25.486 22.209 -7.975 1.00 0.00 H new ATOM 0 HG SER A 104 25.473 20.935 -6.036 1.00 0.00 H new ATOM 1463 N SER A 105 23.717 23.732 -10.050 1.00 0.00 N ATOM 1464 CA SER A 105 23.736 24.042 -11.474 1.00 0.00 C ATOM 1465 C SER A 105 25.156 24.336 -11.948 1.00 0.00 C ATOM 1466 O SER A 105 25.385 25.266 -12.719 1.00 0.00 O ATOM 1467 CB SER A 105 22.830 25.239 -11.769 1.00 0.00 C ATOM 1468 OG SER A 105 23.290 26.402 -11.105 1.00 0.00 O ATOM 0 H SER A 105 24.038 24.491 -9.449 1.00 0.00 H new ATOM 0 HA SER A 105 23.364 23.172 -12.015 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.798 25.419 -12.844 1.00 0.00 H new ATOM 0 HB3 SER A 105 21.811 25.015 -11.453 1.00 0.00 H new ATOM 0 HG SER A 105 22.695 27.153 -11.311 1.00 0.00 H new ATOM 1474 N GLY A 106 26.107 23.534 -11.477 1.00 0.00 N ATOM 1475 CA GLY A 106 27.494 23.725 -11.863 1.00 0.00 C ATOM 1476 C GLY A 106 28.125 22.457 -12.403 1.00 0.00 C ATOM 1477 O GLY A 106 27.485 21.406 -12.443 1.00 0.00 O ATOM 0 H GLY A 106 25.942 22.757 -10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 106 27.553 24.507 -12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 106 28.063 24.072 -11.001 1.00 0.00 H new TER 1481 GLY A 106