USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 728 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 39 GLN : amide:sc= -0.322 K(o=-5.9,f=-7.7) USER MOD Set 1.2: A 105 HIS : no HD1:sc= -5.56! C(o=-5.9!,f=-7.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -62:sc= -0.766 USER MOD Single : A 11 GLN :FLIP amide:sc= -5.15! C(o=-6.5!,f=-5.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.2!) USER MOD Single : A 18 ASN : amide:sc= -6.32! C(o=-6.3!,f=-12!) USER MOD Single : A 25 THR OG1 : rot 28:sc= 0.176 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0789 USER MOD Single : A 28 GLN : amide:sc= -0.582 K(o=-0.58,f=-4.2!) USER MOD Single : A 31 THR OG1 : rot 79:sc= 1.18 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0557 USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.118) USER MOD Single : A 53 GLN : amide:sc= 0.0786 K(o=0.079,f=-0.49) USER MOD Single : A 55 SER OG : rot -167:sc= 1.25 USER MOD Single : A 60 MET CE :methyl -163:sc= -11.8! (180deg=-13.7!) USER MOD Single : A 61 GLN : amide:sc= -4.93! C(o=-4.9!,f=-8.4!) USER MOD Single : A 63 SER OG : rot -91:sc= -0.324 USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= -0.395 (180deg=-1.98!) USER MOD Single : A 67 ASN : amide:sc= -4.57! C(o=-4.6!,f=-7.4!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -170:sc= -1.14 USER MOD Single : A 82 ASN :FLIP amide:sc= -3.78! C(o=-4.9!,f=-3.8!) USER MOD Single : A 86 SER OG : rot 113:sc= -1.16 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -158:sc= -0.231 (180deg=-1.3) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -1.8 USER MOD ----------------------------------------------------------------- ATOM 16 N LYS A 2 -6.476 -8.870 16.327 1.00 1.00 N ATOM 17 CA LYS A 2 -6.498 -7.435 16.098 1.00 1.00 C ATOM 18 C LYS A 2 -5.272 -7.036 15.274 1.00 1.00 C ATOM 19 O LYS A 2 -4.156 -7.463 15.567 1.00 1.00 O ATOM 20 CB LYS A 2 -6.618 -6.682 17.424 1.00 1.00 C ATOM 21 CG LYS A 2 -7.732 -7.273 18.291 1.00 1.00 C ATOM 22 CD LYS A 2 -7.355 -7.228 19.773 1.00 1.00 C ATOM 23 CE LYS A 2 -8.455 -6.559 20.599 1.00 1.00 C ATOM 24 NZ LYS A 2 -8.790 -7.384 21.781 1.00 1.00 N ATOM 0 HA LYS A 2 -7.378 -7.156 15.519 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -5.670 -6.730 17.961 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -6.822 -5.629 17.231 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.656 -6.718 18.130 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -7.923 -8.304 17.992 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -7.185 -8.240 20.139 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -6.419 -6.683 19.897 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -8.127 -5.570 20.920 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -9.344 -6.416 19.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -9.538 -6.915 22.331 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -9.123 -8.318 21.469 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -7.944 -7.499 22.375 1.00 1.00 H new ATOM 38 N PRO A 3 -5.527 -6.200 14.231 1.00 1.00 N ATOM 39 CA PRO A 3 -4.458 -5.738 13.363 1.00 1.00 C ATOM 40 C PRO A 3 -3.609 -4.670 14.057 1.00 1.00 C ATOM 41 O PRO A 3 -2.952 -3.868 13.396 1.00 1.00 O ATOM 42 CB PRO A 3 -5.158 -5.223 12.116 1.00 1.00 C ATOM 43 CG PRO A 3 -6.604 -4.985 12.519 1.00 1.00 C ATOM 44 CD PRO A 3 -6.836 -5.674 13.855 1.00 1.00 C ATOM 0 HA PRO A 3 -3.752 -6.529 13.109 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -4.695 -4.303 11.760 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -5.093 -5.947 11.304 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -6.807 -3.917 12.600 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -7.281 -5.381 11.762 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.211 -4.974 14.602 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -7.573 -6.472 13.767 1.00 1.00 H new ATOM 52 N ALA A 4 -3.651 -4.695 15.381 1.00 1.00 N ATOM 53 CA ALA A 4 -2.895 -3.739 16.172 1.00 1.00 C ATOM 54 C ALA A 4 -3.606 -2.385 16.144 1.00 1.00 C ATOM 55 O ALA A 4 -4.106 -1.964 15.102 1.00 1.00 O ATOM 56 CB ALA A 4 -1.462 -3.657 15.640 1.00 1.00 C ATOM 0 H ALA A 4 -4.197 -5.362 15.926 1.00 1.00 H new ATOM 0 HA ALA A 4 -2.839 -4.060 17.212 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -0.894 -2.940 16.233 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -0.992 -4.638 15.709 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -1.478 -3.335 14.599 1.00 1.00 H new ATOM 62 N ALA A 5 -3.628 -1.741 17.301 1.00 1.00 N ATOM 63 CA ALA A 5 -4.270 -0.443 17.422 1.00 1.00 C ATOM 64 C ALA A 5 -3.249 0.656 17.114 1.00 1.00 C ATOM 65 O ALA A 5 -3.601 1.833 17.049 1.00 1.00 O ATOM 66 CB ALA A 5 -4.873 -0.300 18.821 1.00 1.00 C ATOM 0 H ALA A 5 -3.212 -2.093 18.163 1.00 1.00 H new ATOM 0 HA ALA A 5 -5.085 -0.349 16.704 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -5.355 0.674 18.912 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -5.611 -1.086 18.981 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -4.084 -0.385 19.568 1.00 1.00 H new ATOM 72 N CYS A 6 -2.008 0.232 16.930 1.00 1.00 N ATOM 73 CA CYS A 6 -0.935 1.165 16.629 1.00 1.00 C ATOM 74 C CYS A 6 -1.063 1.588 15.164 1.00 1.00 C ATOM 75 O CYS A 6 -0.240 2.349 14.660 1.00 1.00 O ATOM 76 CB CYS A 6 0.439 0.565 16.932 1.00 1.00 C ATOM 77 SG CYS A 6 0.694 0.074 18.677 1.00 1.00 S ATOM 0 H CYS A 6 -1.721 -0.745 16.983 1.00 1.00 H new ATOM 0 HA CYS A 6 -1.023 2.043 17.269 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.586 -0.309 16.298 1.00 1.00 H new ATOM 0 HB3 CYS A 6 1.205 1.290 16.658 1.00 1.00 H new ATOM 82 N ARG A 7 -2.103 1.075 14.522 1.00 1.00 N ATOM 83 CA ARG A 7 -2.348 1.389 13.125 1.00 1.00 C ATOM 84 C ARG A 7 -3.799 1.836 12.930 1.00 1.00 C ATOM 85 O ARG A 7 -4.347 1.715 11.835 1.00 1.00 O ATOM 86 CB ARG A 7 -2.069 0.180 12.231 1.00 1.00 C ATOM 87 CG ARG A 7 -1.666 -1.037 13.065 1.00 1.00 C ATOM 88 CD ARG A 7 -1.333 -2.231 12.167 1.00 1.00 C ATOM 89 NE ARG A 7 -0.525 -3.219 12.917 1.00 1.00 N ATOM 90 CZ ARG A 7 -0.515 -4.533 12.657 1.00 1.00 C ATOM 91 NH1 ARG A 7 -1.267 -5.025 11.664 1.00 1.00 N ATOM 92 NH2 ARG A 7 0.249 -5.355 13.390 1.00 1.00 N ATOM 0 H ARG A 7 -2.785 0.444 14.944 1.00 1.00 H new ATOM 0 HA ARG A 7 -1.673 2.197 12.843 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -2.957 -0.055 11.644 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -1.274 0.421 11.525 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -0.802 -0.790 13.682 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -2.477 -1.302 13.743 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -2.252 -2.696 11.811 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -0.785 -1.893 11.287 1.00 1.00 H new ATOM 0 HE ARG A 7 0.061 -2.878 13.679 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -1.847 -4.399 11.106 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -1.259 -6.026 11.466 1.00 1.00 H new ATOM 0 HH21 ARG A 7 0.822 -4.980 14.146 1.00 1.00 H new ATOM 0 HH22 ARG A 7 0.257 -6.356 13.192 1.00 1.00 H new ATOM 106 N CYS A 8 -4.378 2.344 14.007 1.00 1.00 N ATOM 107 CA CYS A 8 -5.754 2.810 13.967 1.00 1.00 C ATOM 108 C CYS A 8 -5.831 4.146 14.708 1.00 1.00 C ATOM 109 O CYS A 8 -6.439 5.097 14.221 1.00 1.00 O ATOM 110 CB CYS A 8 -6.719 1.776 14.553 1.00 1.00 C ATOM 111 SG CYS A 8 -6.154 0.040 14.423 1.00 1.00 S ATOM 0 H CYS A 8 -3.920 2.443 14.913 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.062 2.952 12.931 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -6.887 2.011 15.604 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -7.680 1.869 14.048 1.00 1.00 H new ATOM 116 N SER A 9 -5.205 4.176 15.876 1.00 1.00 N ATOM 117 CA SER A 9 -5.194 5.380 16.689 1.00 1.00 C ATOM 118 C SER A 9 -3.919 6.182 16.420 1.00 1.00 C ATOM 119 O SER A 9 -3.726 7.254 16.990 1.00 1.00 O ATOM 120 CB SER A 9 -5.303 5.040 18.177 1.00 1.00 C ATOM 121 OG SER A 9 -4.077 4.537 18.701 1.00 1.00 O ATOM 0 H SER A 9 -4.702 3.385 16.278 1.00 1.00 H new ATOM 0 HA SER A 9 -6.059 5.984 16.417 1.00 1.00 H new ATOM 0 HB2 SER A 9 -5.596 5.931 18.732 1.00 1.00 H new ATOM 0 HB3 SER A 9 -6.090 4.300 18.323 1.00 1.00 H new ATOM 0 HG SER A 9 -3.840 3.706 18.238 1.00 1.00 H new ATOM 127 N ARG A 10 -3.084 5.631 15.551 1.00 1.00 N ATOM 128 CA ARG A 10 -1.834 6.283 15.199 1.00 1.00 C ATOM 129 C ARG A 10 -1.859 6.723 13.735 1.00 1.00 C ATOM 130 O ARG A 10 -1.043 7.543 13.316 1.00 1.00 O ATOM 131 CB ARG A 10 -0.644 5.348 15.423 1.00 1.00 C ATOM 132 CG ARG A 10 0.657 5.992 14.942 1.00 1.00 C ATOM 133 CD ARG A 10 0.913 7.317 15.662 1.00 1.00 C ATOM 134 NE ARG A 10 2.229 7.280 16.339 1.00 1.00 N ATOM 135 CZ ARG A 10 3.391 7.060 15.711 1.00 1.00 C ATOM 136 NH1 ARG A 10 3.408 6.857 14.385 1.00 1.00 N ATOM 137 NH2 ARG A 10 4.536 7.044 16.405 1.00 1.00 N ATOM 0 H ARG A 10 -3.248 4.741 15.081 1.00 1.00 H new ATOM 0 HA ARG A 10 -1.722 7.156 15.842 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -0.563 5.104 16.482 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -0.808 4.411 14.891 1.00 1.00 H new ATOM 0 HG2 ARG A 10 1.490 5.312 15.118 1.00 1.00 H new ATOM 0 HG3 ARG A 10 0.606 6.162 13.867 1.00 1.00 H new ATOM 0 HD2 ARG A 10 0.886 8.140 14.948 1.00 1.00 H new ATOM 0 HD3 ARG A 10 0.125 7.502 16.392 1.00 1.00 H new ATOM 0 HE ARG A 10 2.252 7.432 17.347 1.00 1.00 H new ATOM 0 HH11 ARG A 10 2.536 6.870 13.856 1.00 1.00 H new ATOM 0 HH12 ARG A 10 4.293 6.689 13.906 1.00 1.00 H new ATOM 0 HH21 ARG A 10 4.524 7.199 17.413 1.00 1.00 H new ATOM 0 HH22 ARG A 10 5.421 6.876 15.926 1.00 1.00 H new ATOM 151 N GLN A 11 -2.805 6.161 12.996 1.00 1.00 N ATOM 152 CA GLN A 11 -2.947 6.485 11.588 1.00 1.00 C ATOM 153 C GLN A 11 -3.258 7.973 11.415 1.00 1.00 C ATOM 154 O GLN A 11 -2.979 8.777 12.304 1.00 1.00 O ATOM 155 CB GLN A 11 -4.024 5.620 10.931 1.00 1.00 C ATOM 156 CG GLN A 11 -5.416 6.220 11.146 1.00 1.00 C ATOM 157 CD GLN A 11 -6.485 5.126 11.181 1.00 1.00 C ATOM 158 OE1 GLN A 11 -6.170 4.041 10.479 1.00 1.00 O flip ATOM 159 NE2 GLN A 11 -7.526 5.259 11.802 1.00 1.00 N flip ATOM 0 H GLN A 11 -3.481 5.483 13.347 1.00 1.00 H new ATOM 0 HA GLN A 11 -2.002 6.270 11.089 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -3.823 5.531 9.863 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -3.990 4.613 11.346 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -5.434 6.781 12.080 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -5.639 6.926 10.346 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -7.704 6.119 12.320 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -8.218 4.510 11.803 1.00 1.00 H new ATOM 168 N ASP A 12 -3.830 8.296 10.264 1.00 1.00 N ATOM 169 CA ASP A 12 -4.182 9.673 9.964 1.00 1.00 C ATOM 170 C ASP A 12 -5.557 9.986 10.558 1.00 1.00 C ATOM 171 O ASP A 12 -6.429 9.120 10.600 1.00 1.00 O ATOM 172 CB ASP A 12 -4.255 9.906 8.453 1.00 1.00 C ATOM 173 CG ASP A 12 -4.854 11.250 8.034 1.00 1.00 C ATOM 174 OD1 ASP A 12 -6.072 11.422 8.254 1.00 1.00 O ATOM 175 OD2 ASP A 12 -4.080 12.075 7.503 1.00 1.00 O ATOM 0 H ASP A 12 -4.058 7.627 9.528 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.414 10.318 10.392 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.249 9.829 8.040 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.846 9.107 8.005 1.00 1.00 H new ATOM 180 N PRO A 13 -5.711 11.258 11.014 1.00 1.00 N ATOM 181 CA PRO A 13 -6.965 11.695 11.603 1.00 1.00 C ATOM 182 C PRO A 13 -8.029 11.915 10.527 1.00 1.00 C ATOM 183 O PRO A 13 -8.259 13.045 10.098 1.00 1.00 O ATOM 184 CB PRO A 13 -6.620 12.964 12.366 1.00 1.00 C ATOM 185 CG PRO A 13 -5.295 13.444 11.797 1.00 1.00 C ATOM 186 CD PRO A 13 -4.699 12.309 10.979 1.00 1.00 C ATOM 0 HA PRO A 13 -7.398 10.950 12.270 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -7.396 13.719 12.240 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -6.538 12.767 13.435 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -5.444 14.326 11.174 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -4.617 13.732 12.600 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -4.490 12.624 9.957 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -3.756 11.966 11.405 1.00 1.00 H new ATOM 194 N LYS A 14 -8.652 10.817 10.122 1.00 1.00 N ATOM 195 CA LYS A 14 -9.686 10.875 9.103 1.00 1.00 C ATOM 196 C LYS A 14 -9.059 10.630 7.729 1.00 1.00 C ATOM 197 O LYS A 14 -8.405 11.512 7.175 1.00 1.00 O ATOM 198 CB LYS A 14 -10.458 12.194 9.200 1.00 1.00 C ATOM 199 CG LYS A 14 -11.866 12.048 8.618 1.00 1.00 C ATOM 200 CD LYS A 14 -11.942 12.644 7.211 1.00 1.00 C ATOM 201 CE LYS A 14 -13.128 13.602 7.085 1.00 1.00 C ATOM 202 NZ LYS A 14 -14.399 12.847 7.024 1.00 1.00 N ATOM 0 H LYS A 14 -8.460 9.882 10.482 1.00 1.00 H new ATOM 0 HA LYS A 14 -10.422 10.087 9.262 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.522 12.507 10.242 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.919 12.976 8.665 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -12.143 10.994 8.586 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -12.585 12.547 9.267 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -11.016 13.174 6.986 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -12.037 11.843 6.478 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -13.144 14.284 7.935 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -13.017 14.212 6.188 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -15.194 13.512 6.939 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -14.387 12.214 6.199 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -14.510 12.284 7.891 1.00 1.00 H new ATOM 216 N ASN A 15 -9.281 9.427 7.220 1.00 1.00 N ATOM 217 CA ASN A 15 -8.745 9.053 5.923 1.00 1.00 C ATOM 218 C ASN A 15 -9.897 8.883 4.931 1.00 1.00 C ATOM 219 O ASN A 15 -9.674 8.571 3.761 1.00 1.00 O ATOM 220 CB ASN A 15 -7.988 7.726 6.001 1.00 1.00 C ATOM 221 CG ASN A 15 -6.477 7.960 6.061 1.00 1.00 C ATOM 222 OD1 ASN A 15 -5.997 9.080 6.105 1.00 1.00 O ATOM 223 ND2 ASN A 15 -5.757 6.841 6.062 1.00 1.00 N ATOM 0 H ASN A 15 -9.825 8.699 7.683 1.00 1.00 H new ATOM 0 HA ASN A 15 -8.062 9.839 5.601 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -8.309 7.171 6.883 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -8.231 7.113 5.133 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -4.739 6.890 6.101 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -6.223 5.935 6.024 1.00 1.00 H new ATOM 230 N ARG A 16 -11.105 9.097 5.433 1.00 1.00 N ATOM 231 CA ARG A 16 -12.292 8.971 4.605 1.00 1.00 C ATOM 232 C ARG A 16 -12.310 7.611 3.904 1.00 1.00 C ATOM 233 O ARG A 16 -12.869 7.476 2.817 1.00 1.00 O ATOM 234 CB ARG A 16 -12.351 10.080 3.552 1.00 1.00 C ATOM 235 CG ARG A 16 -13.785 10.303 3.069 1.00 1.00 C ATOM 236 CD ARG A 16 -13.889 11.581 2.235 1.00 1.00 C ATOM 237 NE ARG A 16 -13.669 11.272 0.804 1.00 1.00 N ATOM 238 CZ ARG A 16 -12.461 11.199 0.230 1.00 1.00 C ATOM 239 NH1 ARG A 16 -11.358 11.414 0.959 1.00 1.00 N ATOM 240 NH2 ARG A 16 -12.356 10.912 -1.075 1.00 1.00 N ATOM 0 H ARG A 16 -11.287 9.357 6.403 1.00 1.00 H new ATOM 0 HA ARG A 16 -13.161 9.059 5.258 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -11.957 11.006 3.971 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -11.716 9.817 2.706 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -14.109 9.449 2.475 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -14.455 10.368 3.926 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -14.871 12.035 2.371 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -13.152 12.308 2.576 1.00 1.00 H new ATOM 0 HE ARG A 16 -14.488 11.104 0.219 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -11.438 11.633 1.952 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -10.438 11.358 0.521 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -13.196 10.749 -1.631 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -11.436 10.856 -1.513 1.00 1.00 H new ATOM 254 N VAL A 17 -11.691 6.637 4.556 1.00 1.00 N ATOM 255 CA VAL A 17 -11.628 5.293 4.009 1.00 1.00 C ATOM 256 C VAL A 17 -12.209 4.307 5.023 1.00 1.00 C ATOM 257 O VAL A 17 -12.214 4.576 6.223 1.00 1.00 O ATOM 258 CB VAL A 17 -10.189 4.958 3.606 1.00 1.00 C ATOM 259 CG1 VAL A 17 -10.118 3.600 2.905 1.00 1.00 C ATOM 260 CG2 VAL A 17 -9.595 6.061 2.728 1.00 1.00 C ATOM 0 H VAL A 17 -11.229 6.753 5.458 1.00 1.00 H new ATOM 0 HA VAL A 17 -12.230 5.221 3.103 1.00 1.00 H new ATOM 0 HB VAL A 17 -9.592 4.896 4.516 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -9.085 3.386 2.629 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -10.482 2.824 3.578 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -10.736 3.621 2.007 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -8.573 5.798 2.456 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -10.195 6.169 1.824 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -9.594 7.002 3.277 1.00 1.00 H new ATOM 270 N ASN A 18 -12.686 3.185 4.504 1.00 1.00 N ATOM 271 CA ASN A 18 -13.268 2.157 5.350 1.00 1.00 C ATOM 272 C ASN A 18 -12.693 0.794 4.958 1.00 1.00 C ATOM 273 O ASN A 18 -12.239 0.609 3.831 1.00 1.00 O ATOM 274 CB ASN A 18 -14.787 2.096 5.175 1.00 1.00 C ATOM 275 CG ASN A 18 -15.411 1.092 6.147 1.00 1.00 C ATOM 276 OD1 ASN A 18 -15.227 -0.110 6.042 1.00 1.00 O ATOM 277 ND2 ASN A 18 -16.158 1.650 7.096 1.00 1.00 N ATOM 0 H ASN A 18 -12.681 2.965 3.508 1.00 1.00 H new ATOM 0 HA ASN A 18 -13.033 2.400 6.386 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -15.216 3.084 5.342 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -15.028 1.813 4.150 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -16.618 1.064 7.793 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -16.271 2.663 7.127 1.00 1.00 H new ATOM 284 N CYS A 19 -12.732 -0.124 5.913 1.00 1.00 N ATOM 285 CA CYS A 19 -12.220 -1.464 5.682 1.00 1.00 C ATOM 286 C CYS A 19 -13.166 -2.462 6.353 1.00 1.00 C ATOM 287 O CYS A 19 -12.796 -3.119 7.324 1.00 1.00 O ATOM 288 CB CYS A 19 -10.782 -1.615 6.185 1.00 1.00 C ATOM 289 SG CYS A 19 -9.880 -3.055 5.507 1.00 1.00 S ATOM 0 H CYS A 19 -13.110 0.034 6.847 1.00 1.00 H new ATOM 0 HA CYS A 19 -12.184 -1.662 4.611 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -10.229 -0.709 5.939 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -10.798 -1.693 7.272 1.00 1.00 H new ATOM 294 N GLY A 20 -14.371 -2.544 5.807 1.00 1.00 N ATOM 295 CA GLY A 20 -15.374 -3.451 6.340 1.00 1.00 C ATOM 296 C GLY A 20 -16.770 -3.081 5.836 1.00 1.00 C ATOM 297 O GLY A 20 -16.913 -2.512 4.754 1.00 1.00 O ATOM 0 H GLY A 20 -14.675 -1.997 5.001 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -15.137 -4.474 6.047 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -15.356 -3.419 7.429 1.00 1.00 H new ATOM 301 N PHE A 21 -17.765 -3.420 6.643 1.00 1.00 N ATOM 302 CA PHE A 21 -19.145 -3.131 6.292 1.00 1.00 C ATOM 303 C PHE A 21 -19.842 -2.348 7.407 1.00 1.00 C ATOM 304 O PHE A 21 -19.315 -2.234 8.513 1.00 1.00 O ATOM 305 CB PHE A 21 -19.851 -4.476 6.110 1.00 1.00 C ATOM 306 CG PHE A 21 -19.262 -5.607 6.956 1.00 1.00 C ATOM 307 CD1 PHE A 21 -17.993 -6.038 6.725 1.00 1.00 C ATOM 308 CD2 PHE A 21 -20.009 -6.182 7.937 1.00 1.00 C ATOM 309 CE1 PHE A 21 -17.446 -7.088 7.511 1.00 1.00 C ATOM 310 CE2 PHE A 21 -19.462 -7.231 8.722 1.00 1.00 C ATOM 311 CZ PHE A 21 -18.192 -7.662 8.491 1.00 1.00 C ATOM 0 H PHE A 21 -17.643 -3.892 7.539 1.00 1.00 H new ATOM 0 HA PHE A 21 -19.180 -2.527 5.385 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -20.905 -4.359 6.362 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -19.804 -4.760 5.059 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -17.401 -5.583 5.945 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -21.017 -5.841 8.118 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -16.438 -7.430 7.329 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -20.054 -7.687 9.502 1.00 1.00 H new ATOM 0 HZ PHE A 21 -17.777 -8.461 9.087 1.00 1.00 H new ATOM 321 N PRO A 22 -21.047 -1.817 7.070 1.00 1.00 N ATOM 322 CA PRO A 22 -21.822 -1.049 8.028 1.00 1.00 C ATOM 323 C PRO A 22 -22.478 -1.966 9.064 1.00 1.00 C ATOM 324 O PRO A 22 -23.166 -1.495 9.969 1.00 1.00 O ATOM 325 CB PRO A 22 -22.831 -0.279 7.193 1.00 1.00 C ATOM 326 CG PRO A 22 -22.894 -0.993 5.852 1.00 1.00 C ATOM 327 CD PRO A 22 -21.703 -1.932 5.769 1.00 1.00 C ATOM 0 HA PRO A 22 -21.207 -0.366 8.614 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -23.809 -0.267 7.675 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -22.524 0.759 7.069 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -23.826 -1.550 5.759 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -22.870 -0.273 5.034 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -22.020 -2.957 5.575 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -21.030 -1.647 4.960 1.00 1.00 H new ATOM 335 N GLY A 23 -22.242 -3.259 8.895 1.00 1.00 N ATOM 336 CA GLY A 23 -22.800 -4.246 9.803 1.00 1.00 C ATOM 337 C GLY A 23 -21.694 -5.030 10.509 1.00 1.00 C ATOM 338 O GLY A 23 -21.951 -6.076 11.105 1.00 1.00 O ATOM 0 H GLY A 23 -21.672 -3.646 8.143 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -23.428 -3.750 10.543 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -23.441 -4.933 9.250 1.00 1.00 H new ATOM 342 N ILE A 24 -20.484 -4.496 10.420 1.00 1.00 N ATOM 343 CA ILE A 24 -19.337 -5.133 11.043 1.00 1.00 C ATOM 344 C ILE A 24 -19.428 -4.966 12.561 1.00 1.00 C ATOM 345 O ILE A 24 -20.200 -4.146 13.054 1.00 1.00 O ATOM 346 CB ILE A 24 -18.034 -4.598 10.443 1.00 1.00 C ATOM 347 CG1 ILE A 24 -16.831 -5.399 10.943 1.00 1.00 C ATOM 348 CG2 ILE A 24 -17.881 -3.100 10.715 1.00 1.00 C ATOM 349 CD1 ILE A 24 -15.546 -4.953 10.240 1.00 1.00 C ATOM 0 H ILE A 24 -20.274 -3.629 9.925 1.00 1.00 H new ATOM 0 HA ILE A 24 -19.339 -6.204 10.838 1.00 1.00 H new ATOM 0 HB ILE A 24 -18.077 -4.726 9.361 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -16.725 -5.269 12.020 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -16.997 -6.461 10.765 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -16.948 -2.744 10.279 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -18.718 -2.562 10.270 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -17.868 -2.925 11.791 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -14.705 -5.538 10.613 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -15.647 -5.107 9.166 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -15.370 -3.896 10.440 1.00 1.00 H new ATOM 361 N THR A 25 -18.628 -5.759 13.260 1.00 1.00 N ATOM 362 CA THR A 25 -18.609 -5.710 14.713 1.00 1.00 C ATOM 363 C THR A 25 -17.175 -5.557 15.222 1.00 1.00 C ATOM 364 O THR A 25 -16.294 -6.329 14.847 1.00 1.00 O ATOM 365 CB THR A 25 -19.310 -6.964 15.238 1.00 1.00 C ATOM 366 OG1 THR A 25 -18.524 -8.040 14.732 1.00 1.00 O ATOM 367 CG2 THR A 25 -20.685 -7.176 14.600 1.00 1.00 C ATOM 0 H THR A 25 -17.989 -6.438 12.848 1.00 1.00 H new ATOM 0 HA THR A 25 -19.148 -4.839 15.087 1.00 1.00 H new ATOM 0 HB THR A 25 -19.418 -6.893 16.320 1.00 1.00 H new ATOM 0 HG1 THR A 25 -17.599 -7.740 14.610 1.00 1.00 H new ATOM 0 HG21 THR A 25 -21.140 -8.079 15.007 1.00 1.00 H new ATOM 0 HG22 THR A 25 -21.323 -6.319 14.817 1.00 1.00 H new ATOM 0 HG23 THR A 25 -20.573 -7.281 13.521 1.00 1.00 H new ATOM 375 N SER A 26 -16.985 -4.556 16.069 1.00 1.00 N ATOM 376 CA SER A 26 -15.673 -4.293 16.634 1.00 1.00 C ATOM 377 C SER A 26 -14.764 -5.508 16.437 1.00 1.00 C ATOM 378 O SER A 26 -13.832 -5.467 15.636 1.00 1.00 O ATOM 379 CB SER A 26 -15.773 -3.940 18.119 1.00 1.00 C ATOM 380 OG SER A 26 -16.706 -4.772 18.803 1.00 1.00 O ATOM 0 H SER A 26 -17.718 -3.917 16.378 1.00 1.00 H new ATOM 0 HA SER A 26 -15.243 -3.438 16.113 1.00 1.00 H new ATOM 0 HB2 SER A 26 -14.791 -4.039 18.582 1.00 1.00 H new ATOM 0 HB3 SER A 26 -16.072 -2.897 18.225 1.00 1.00 H new ATOM 0 HG SER A 26 -16.740 -4.517 19.749 1.00 1.00 H new ATOM 386 N ASP A 27 -15.068 -6.561 17.181 1.00 1.00 N ATOM 387 CA ASP A 27 -14.291 -7.785 17.099 1.00 1.00 C ATOM 388 C ASP A 27 -13.905 -8.042 15.640 1.00 1.00 C ATOM 389 O ASP A 27 -12.728 -7.980 15.286 1.00 1.00 O ATOM 390 CB ASP A 27 -15.100 -8.987 17.591 1.00 1.00 C ATOM 391 CG ASP A 27 -14.417 -9.830 18.669 1.00 1.00 C ATOM 392 OD1 ASP A 27 -13.186 -9.669 18.820 1.00 1.00 O ATOM 393 OD2 ASP A 27 -15.140 -10.616 19.318 1.00 1.00 O ATOM 0 H ASP A 27 -15.843 -6.591 17.844 1.00 1.00 H new ATOM 0 HA ASP A 27 -13.407 -7.665 17.725 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -16.053 -8.629 17.981 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -15.325 -9.628 16.738 1.00 1.00 H new ATOM 398 N GLN A 28 -14.917 -8.325 14.835 1.00 1.00 N ATOM 399 CA GLN A 28 -14.698 -8.591 13.423 1.00 1.00 C ATOM 400 C GLN A 28 -13.913 -7.445 12.782 1.00 1.00 C ATOM 401 O GLN A 28 -13.178 -7.654 11.818 1.00 1.00 O ATOM 402 CB GLN A 28 -16.025 -8.818 12.696 1.00 1.00 C ATOM 403 CG GLN A 28 -16.780 -10.007 13.293 1.00 1.00 C ATOM 404 CD GLN A 28 -16.201 -11.333 12.794 1.00 1.00 C ATOM 405 OE1 GLN A 28 -15.030 -11.444 12.467 1.00 1.00 O ATOM 406 NE2 GLN A 28 -17.082 -12.327 12.754 1.00 1.00 N ATOM 0 H GLN A 28 -15.891 -8.376 15.133 1.00 1.00 H new ATOM 0 HA GLN A 28 -14.110 -9.504 13.333 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -16.640 -7.921 12.765 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -15.838 -8.996 11.637 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -16.724 -9.968 14.381 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -17.835 -9.943 13.026 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -18.047 -12.165 13.042 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -16.793 -13.252 12.435 1.00 1.00 H new ATOM 415 N CYS A 29 -14.094 -6.259 13.345 1.00 1.00 N ATOM 416 CA CYS A 29 -13.410 -5.080 12.841 1.00 1.00 C ATOM 417 C CYS A 29 -12.082 -4.938 13.587 1.00 1.00 C ATOM 418 O CYS A 29 -11.349 -3.972 13.380 1.00 1.00 O ATOM 419 CB CYS A 29 -14.276 -3.825 12.972 1.00 1.00 C ATOM 420 SG CYS A 29 -13.776 -2.431 11.897 1.00 1.00 S ATOM 0 H CYS A 29 -14.704 -6.089 14.145 1.00 1.00 H new ATOM 0 HA CYS A 29 -13.215 -5.198 11.775 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -15.309 -4.088 12.745 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.253 -3.492 14.010 1.00 1.00 H new ATOM 425 N PHE A 30 -11.813 -5.915 14.441 1.00 1.00 N ATOM 426 CA PHE A 30 -10.586 -5.911 15.219 1.00 1.00 C ATOM 427 C PHE A 30 -9.980 -7.314 15.294 1.00 1.00 C ATOM 428 O PHE A 30 -9.346 -7.668 16.287 1.00 1.00 O ATOM 429 CB PHE A 30 -10.954 -5.451 16.632 1.00 1.00 C ATOM 430 CG PHE A 30 -10.769 -3.950 16.865 1.00 1.00 C ATOM 431 CD1 PHE A 30 -9.715 -3.299 16.304 1.00 1.00 C ATOM 432 CD2 PHE A 30 -11.659 -3.268 17.633 1.00 1.00 C ATOM 433 CE1 PHE A 30 -9.544 -1.906 16.521 1.00 1.00 C ATOM 434 CE2 PHE A 30 -11.488 -1.875 17.850 1.00 1.00 C ATOM 435 CZ PHE A 30 -10.435 -1.223 17.289 1.00 1.00 C ATOM 0 H PHE A 30 -12.424 -6.714 14.611 1.00 1.00 H new ATOM 0 HA PHE A 30 -9.853 -5.252 14.754 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -11.993 -5.714 16.830 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -10.345 -5.998 17.351 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -9.008 -3.841 15.694 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -12.496 -3.785 18.078 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -8.707 -1.389 16.076 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -12.195 -1.333 18.461 1.00 1.00 H new ATOM 0 HZ PHE A 30 -10.306 -0.163 17.453 1.00 1.00 H new ATOM 445 N THR A 31 -10.195 -8.075 14.232 1.00 1.00 N ATOM 446 CA THR A 31 -9.678 -9.431 14.164 1.00 1.00 C ATOM 447 C THR A 31 -9.007 -9.679 12.812 1.00 1.00 C ATOM 448 O THR A 31 -7.941 -9.132 12.534 1.00 1.00 O ATOM 449 CB THR A 31 -10.833 -10.391 14.454 1.00 1.00 C ATOM 450 OG1 THR A 31 -11.227 -10.070 15.785 1.00 1.00 O ATOM 451 CG2 THR A 31 -10.374 -11.849 14.543 1.00 1.00 C ATOM 0 H THR A 31 -10.721 -7.778 13.410 1.00 1.00 H new ATOM 0 HA THR A 31 -8.902 -9.597 14.911 1.00 1.00 H new ATOM 0 HB THR A 31 -11.589 -10.295 13.675 1.00 1.00 H new ATOM 0 HG1 THR A 31 -11.785 -9.264 15.776 1.00 1.00 H new ATOM 0 HG21 THR A 31 -11.232 -12.489 14.750 1.00 1.00 H new ATOM 0 HG22 THR A 31 -9.920 -12.146 13.598 1.00 1.00 H new ATOM 0 HG23 THR A 31 -9.643 -11.952 15.345 1.00 1.00 H new ATOM 459 N SER A 32 -9.658 -10.504 12.006 1.00 1.00 N ATOM 460 CA SER A 32 -9.138 -10.832 10.689 1.00 1.00 C ATOM 461 C SER A 32 -9.788 -9.938 9.632 1.00 1.00 C ATOM 462 O SER A 32 -9.979 -10.357 8.491 1.00 1.00 O ATOM 463 CB SER A 32 -9.372 -12.307 10.355 1.00 1.00 C ATOM 464 OG SER A 32 -8.465 -13.161 11.047 1.00 1.00 O ATOM 0 H SER A 32 -10.542 -10.956 12.240 1.00 1.00 H new ATOM 0 HA SER A 32 -8.062 -10.655 10.693 1.00 1.00 H new ATOM 0 HB2 SER A 32 -10.395 -12.579 10.613 1.00 1.00 H new ATOM 0 HB3 SER A 32 -9.264 -12.457 9.281 1.00 1.00 H new ATOM 0 HG SER A 32 -8.648 -14.094 10.809 1.00 1.00 H new ATOM 470 N GLY A 33 -10.111 -8.722 10.048 1.00 1.00 N ATOM 471 CA GLY A 33 -10.736 -7.765 9.151 1.00 1.00 C ATOM 472 C GLY A 33 -9.853 -6.530 8.965 1.00 1.00 C ATOM 473 O GLY A 33 -9.013 -6.493 8.066 1.00 1.00 O ATOM 0 H GLY A 33 -9.951 -8.378 10.995 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -10.920 -8.234 8.184 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -11.705 -7.467 9.550 1.00 1.00 H new ATOM 477 N CYS A 34 -10.072 -5.549 9.828 1.00 1.00 N ATOM 478 CA CYS A 34 -9.306 -4.316 9.771 1.00 1.00 C ATOM 479 C CYS A 34 -9.317 -3.678 11.161 1.00 1.00 C ATOM 480 O CYS A 34 -9.494 -4.369 12.163 1.00 1.00 O ATOM 481 CB CYS A 34 -9.847 -3.365 8.702 1.00 1.00 C ATOM 482 SG CYS A 34 -10.255 -4.157 7.103 1.00 1.00 S ATOM 0 H CYS A 34 -10.770 -5.583 10.571 1.00 1.00 H new ATOM 0 HA CYS A 34 -8.278 -4.536 9.483 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -10.742 -2.878 9.089 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -9.109 -2.582 8.526 1.00 1.00 H new ATOM 487 N CYS A 35 -9.125 -2.367 11.177 1.00 1.00 N ATOM 488 CA CYS A 35 -9.111 -1.628 12.427 1.00 1.00 C ATOM 489 C CYS A 35 -10.512 -1.060 12.667 1.00 1.00 C ATOM 490 O CYS A 35 -11.320 -0.982 11.743 1.00 1.00 O ATOM 491 CB CYS A 35 -8.044 -0.531 12.425 1.00 1.00 C ATOM 492 SG CYS A 35 -6.374 -1.085 12.928 1.00 1.00 S ATOM 0 H CYS A 35 -8.978 -1.798 10.343 1.00 1.00 H new ATOM 0 HA CYS A 35 -8.847 -2.299 13.244 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -7.984 -0.104 11.424 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -8.363 0.268 13.094 1.00 1.00 H new ATOM 497 N PHE A 36 -10.757 -0.680 13.912 1.00 1.00 N ATOM 498 CA PHE A 36 -12.046 -0.121 14.284 1.00 1.00 C ATOM 499 C PHE A 36 -11.884 0.978 15.336 1.00 1.00 C ATOM 500 O PHE A 36 -12.095 0.741 16.524 1.00 1.00 O ATOM 501 CB PHE A 36 -12.871 -1.263 14.879 1.00 1.00 C ATOM 502 CG PHE A 36 -14.319 -0.882 15.201 1.00 1.00 C ATOM 503 CD1 PHE A 36 -15.064 -0.208 14.286 1.00 1.00 C ATOM 504 CD2 PHE A 36 -14.859 -1.218 16.403 1.00 1.00 C ATOM 505 CE1 PHE A 36 -16.406 0.146 14.585 1.00 1.00 C ATOM 506 CE2 PHE A 36 -16.201 -0.864 16.703 1.00 1.00 C ATOM 507 CZ PHE A 36 -16.947 -0.189 15.787 1.00 1.00 C ATOM 0 H PHE A 36 -10.085 -0.748 14.676 1.00 1.00 H new ATOM 0 HA PHE A 36 -12.528 0.318 13.411 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -12.873 -2.099 14.180 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.386 -1.611 15.791 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.635 0.058 13.331 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -14.267 -1.754 17.130 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -16.998 0.682 13.857 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -16.629 -1.130 17.658 1.00 1.00 H new ATOM 0 HZ PHE A 36 -17.968 0.081 16.014 1.00 1.00 H new ATOM 517 N ASP A 37 -11.511 2.157 14.861 1.00 1.00 N ATOM 518 CA ASP A 37 -11.319 3.294 15.745 1.00 1.00 C ATOM 519 C ASP A 37 -12.562 4.184 15.702 1.00 1.00 C ATOM 520 O ASP A 37 -12.671 5.063 14.849 1.00 1.00 O ATOM 521 CB ASP A 37 -10.118 4.135 15.307 1.00 1.00 C ATOM 522 CG ASP A 37 -9.935 5.447 16.074 1.00 1.00 C ATOM 523 OD1 ASP A 37 -9.544 5.362 17.258 1.00 1.00 O ATOM 524 OD2 ASP A 37 -10.189 6.505 15.458 1.00 1.00 O ATOM 0 H ASP A 37 -11.336 2.350 13.875 1.00 1.00 H new ATOM 0 HA ASP A 37 -11.144 2.913 16.751 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -9.214 3.537 15.419 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -10.220 4.363 14.246 1.00 1.00 H new ATOM 529 N SER A 38 -13.468 3.926 16.633 1.00 1.00 N ATOM 530 CA SER A 38 -14.700 4.693 16.712 1.00 1.00 C ATOM 531 C SER A 38 -14.456 5.998 17.472 1.00 1.00 C ATOM 532 O SER A 38 -15.326 6.866 17.517 1.00 1.00 O ATOM 533 CB SER A 38 -15.810 3.886 17.388 1.00 1.00 C ATOM 534 OG SER A 38 -15.289 2.830 18.190 1.00 1.00 O ATOM 0 H SER A 38 -13.374 3.196 17.340 1.00 1.00 H new ATOM 0 HA SER A 38 -15.023 4.925 15.697 1.00 1.00 H new ATOM 0 HB2 SER A 38 -16.414 4.549 18.008 1.00 1.00 H new ATOM 0 HB3 SER A 38 -16.471 3.471 16.627 1.00 1.00 H new ATOM 0 HG SER A 38 -16.029 2.340 18.606 1.00 1.00 H new ATOM 540 N GLN A 39 -13.267 6.096 18.049 1.00 1.00 N ATOM 541 CA GLN A 39 -12.898 7.281 18.805 1.00 1.00 C ATOM 542 C GLN A 39 -13.073 8.534 17.946 1.00 1.00 C ATOM 543 O GLN A 39 -13.066 9.651 18.462 1.00 1.00 O ATOM 544 CB GLN A 39 -11.464 7.172 19.329 1.00 1.00 C ATOM 545 CG GLN A 39 -11.399 6.276 20.568 1.00 1.00 C ATOM 546 CD GLN A 39 -10.367 6.798 21.569 1.00 1.00 C ATOM 547 OE1 GLN A 39 -9.277 6.267 21.709 1.00 1.00 O ATOM 548 NE2 GLN A 39 -10.768 7.865 22.253 1.00 1.00 N ATOM 0 H GLN A 39 -12.547 5.375 18.008 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.561 7.359 19.667 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.818 6.768 18.550 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.086 8.165 19.574 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.380 6.232 21.041 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.142 5.259 20.272 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -11.694 8.259 22.086 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -10.150 8.289 22.945 1.00 1.00 H new ATOM 557 N VAL A 40 -13.227 8.308 16.650 1.00 1.00 N ATOM 558 CA VAL A 40 -13.404 9.405 15.714 1.00 1.00 C ATOM 559 C VAL A 40 -14.829 9.371 15.158 1.00 1.00 C ATOM 560 O VAL A 40 -15.100 8.682 14.176 1.00 1.00 O ATOM 561 CB VAL A 40 -12.335 9.340 14.622 1.00 1.00 C ATOM 562 CG1 VAL A 40 -12.470 10.516 13.652 1.00 1.00 C ATOM 563 CG2 VAL A 40 -10.932 9.288 15.230 1.00 1.00 C ATOM 0 H VAL A 40 -13.233 7.381 16.226 1.00 1.00 H new ATOM 0 HA VAL A 40 -13.275 10.362 16.220 1.00 1.00 H new ATOM 0 HB VAL A 40 -12.489 8.421 14.057 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -11.698 10.446 12.886 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -13.453 10.488 13.181 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -12.356 11.453 14.198 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -10.191 9.242 14.432 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -10.763 10.181 15.831 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -10.841 8.403 15.860 1.00 1.00 H new ATOM 573 N PRO A 41 -15.727 10.142 15.828 1.00 1.00 N ATOM 574 CA PRO A 41 -17.117 10.206 15.411 1.00 1.00 C ATOM 575 C PRO A 41 -17.273 11.059 14.150 1.00 1.00 C ATOM 576 O PRO A 41 -16.650 12.112 14.028 1.00 1.00 O ATOM 577 CB PRO A 41 -17.860 10.776 16.608 1.00 1.00 C ATOM 578 CG PRO A 41 -16.805 11.442 17.476 1.00 1.00 C ATOM 579 CD PRO A 41 -15.442 10.972 16.995 1.00 1.00 C ATOM 0 HA PRO A 41 -17.519 9.231 15.136 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -18.616 11.495 16.292 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -18.378 9.989 17.157 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -16.882 12.527 17.405 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -16.951 11.180 18.524 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -14.802 11.815 16.735 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -14.923 10.404 17.768 1.00 1.00 H new ATOM 587 N GLY A 42 -18.108 10.571 13.244 1.00 1.00 N ATOM 588 CA GLY A 42 -18.353 11.275 11.996 1.00 1.00 C ATOM 589 C GLY A 42 -17.587 10.626 10.842 1.00 1.00 C ATOM 590 O GLY A 42 -18.028 10.675 9.694 1.00 1.00 O ATOM 0 H GLY A 42 -18.623 9.697 13.349 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -19.421 11.272 11.776 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -18.051 12.318 12.097 1.00 1.00 H new ATOM 594 N VAL A 43 -16.451 10.034 11.184 1.00 1.00 N ATOM 595 CA VAL A 43 -15.620 9.378 10.190 1.00 1.00 C ATOM 596 C VAL A 43 -15.822 7.863 10.283 1.00 1.00 C ATOM 597 O VAL A 43 -16.534 7.381 11.163 1.00 1.00 O ATOM 598 CB VAL A 43 -14.160 9.798 10.369 1.00 1.00 C ATOM 599 CG1 VAL A 43 -14.064 11.212 10.948 1.00 1.00 C ATOM 600 CG2 VAL A 43 -13.403 8.796 11.242 1.00 1.00 C ATOM 0 H VAL A 43 -16.087 9.996 12.136 1.00 1.00 H new ATOM 0 HA VAL A 43 -15.912 9.685 9.185 1.00 1.00 H new ATOM 0 HB VAL A 43 -13.691 9.805 9.385 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -13.016 11.487 11.066 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -14.550 11.916 10.272 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -14.558 11.242 11.919 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -12.368 9.119 11.353 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -13.873 8.741 12.224 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -13.428 7.813 10.772 1.00 1.00 H new ATOM 610 N PRO A 44 -15.165 7.138 9.339 1.00 1.00 N ATOM 611 CA PRO A 44 -15.265 5.689 9.306 1.00 1.00 C ATOM 612 C PRO A 44 -14.432 5.056 10.422 1.00 1.00 C ATOM 613 O PRO A 44 -13.224 5.277 10.502 1.00 1.00 O ATOM 614 CB PRO A 44 -14.793 5.293 7.916 1.00 1.00 C ATOM 615 CG PRO A 44 -14.012 6.485 7.387 1.00 1.00 C ATOM 616 CD PRO A 44 -14.313 7.675 8.282 1.00 1.00 C ATOM 0 HA PRO A 44 -16.280 5.334 9.484 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -14.167 4.402 7.955 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -15.638 5.061 7.268 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -12.943 6.270 7.384 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -14.296 6.701 6.357 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -13.398 8.104 8.691 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -14.819 8.468 7.730 1.00 1.00 H new ATOM 624 N TRP A 45 -15.110 4.281 11.257 1.00 1.00 N ATOM 625 CA TRP A 45 -14.446 3.615 12.365 1.00 1.00 C ATOM 626 C TRP A 45 -13.689 2.409 11.806 1.00 1.00 C ATOM 627 O TRP A 45 -12.539 2.171 12.171 1.00 1.00 O ATOM 628 CB TRP A 45 -15.451 3.237 13.456 1.00 1.00 C ATOM 629 CG TRP A 45 -16.420 4.361 13.826 1.00 1.00 C ATOM 630 CD1 TRP A 45 -16.333 5.663 13.517 1.00 1.00 C ATOM 631 CD2 TRP A 45 -17.636 4.231 14.593 1.00 1.00 C ATOM 632 NE1 TRP A 45 -17.398 6.376 14.025 1.00 1.00 N ATOM 633 CE2 TRP A 45 -18.216 5.478 14.700 1.00 1.00 C ATOM 634 CE3 TRP A 45 -18.226 3.095 15.176 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -19.414 5.709 15.385 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -19.424 3.344 15.857 1.00 1.00 C ATOM 637 CH2 TRP A 45 -20.021 4.594 15.974 1.00 1.00 C ATOM 0 H TRP A 45 -16.111 4.100 11.188 1.00 1.00 H new ATOM 0 HA TRP A 45 -13.730 4.283 12.845 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -16.024 2.372 13.123 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -14.905 2.933 14.349 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -15.529 6.099 12.942 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -17.556 7.379 13.924 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -17.790 2.110 15.104 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -19.847 6.696 15.455 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -19.919 2.506 16.324 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -20.948 4.704 16.517 1.00 1.00 H new ATOM 648 N CYS A 46 -14.364 1.679 10.931 1.00 1.00 N ATOM 649 CA CYS A 46 -13.769 0.504 10.318 1.00 1.00 C ATOM 650 C CYS A 46 -13.034 0.943 9.051 1.00 1.00 C ATOM 651 O CYS A 46 -13.660 1.216 8.028 1.00 1.00 O ATOM 652 CB CYS A 46 -14.816 -0.574 10.026 1.00 1.00 C ATOM 653 SG CYS A 46 -15.431 -1.465 11.501 1.00 1.00 S ATOM 0 H CYS A 46 -15.318 1.879 10.632 1.00 1.00 H new ATOM 0 HA CYS A 46 -13.059 0.050 11.010 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -15.663 -0.111 9.519 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -14.388 -1.299 9.333 1.00 1.00 H new ATOM 658 N PHE A 47 -11.714 0.998 9.160 1.00 1.00 N ATOM 659 CA PHE A 47 -10.886 1.400 8.035 1.00 1.00 C ATOM 660 C PHE A 47 -9.679 0.472 7.885 1.00 1.00 C ATOM 661 O PHE A 47 -9.554 -0.512 8.611 1.00 1.00 O ATOM 662 CB PHE A 47 -10.391 2.818 8.328 1.00 1.00 C ATOM 663 CG PHE A 47 -9.919 3.028 9.768 1.00 1.00 C ATOM 664 CD1 PHE A 47 -8.966 2.213 10.296 1.00 1.00 C ATOM 665 CD2 PHE A 47 -10.452 4.028 10.520 1.00 1.00 C ATOM 666 CE1 PHE A 47 -8.527 2.408 11.633 1.00 1.00 C ATOM 667 CE2 PHE A 47 -10.013 4.223 11.855 1.00 1.00 C ATOM 668 CZ PHE A 47 -9.060 3.408 12.384 1.00 1.00 C ATOM 0 H PHE A 47 -11.198 0.771 10.010 1.00 1.00 H new ATOM 0 HA PHE A 47 -11.464 1.354 7.112 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -9.570 3.053 7.650 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -11.194 3.523 8.113 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -8.544 1.418 9.699 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -11.209 4.674 10.101 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -7.770 1.762 12.053 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -10.435 5.018 12.451 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.727 3.556 13.401 1.00 1.00 H new ATOM 678 N LYS A 48 -8.821 0.819 6.937 1.00 1.00 N ATOM 679 CA LYS A 48 -7.628 0.030 6.681 1.00 1.00 C ATOM 680 C LYS A 48 -6.452 0.627 7.456 1.00 1.00 C ATOM 681 O LYS A 48 -6.202 1.829 7.385 1.00 1.00 O ATOM 682 CB LYS A 48 -7.376 -0.089 5.177 1.00 1.00 C ATOM 683 CG LYS A 48 -8.249 0.895 4.395 1.00 1.00 C ATOM 684 CD LYS A 48 -7.805 2.338 4.643 1.00 1.00 C ATOM 685 CE LYS A 48 -6.936 2.849 3.492 1.00 1.00 C ATOM 686 NZ LYS A 48 -5.509 2.552 3.749 1.00 1.00 N ATOM 0 H LYS A 48 -8.928 1.636 6.336 1.00 1.00 H new ATOM 0 HA LYS A 48 -7.762 -0.991 7.039 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -6.324 0.104 4.964 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -7.586 -1.107 4.849 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -8.191 0.671 3.330 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -9.292 0.776 4.690 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -8.680 2.978 4.754 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -7.247 2.395 5.578 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -7.248 2.382 2.558 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -7.074 3.924 3.373 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -4.967 3.439 3.762 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -5.414 2.074 4.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -5.142 1.933 2.998 1.00 1.00 H new ATOM 700 N PRO A 49 -5.741 -0.265 8.198 1.00 1.00 N ATOM 701 CA PRO A 49 -4.596 0.161 8.985 1.00 1.00 C ATOM 702 C PRO A 49 -3.386 0.435 8.089 1.00 1.00 C ATOM 703 O PRO A 49 -3.504 0.442 6.865 1.00 1.00 O ATOM 704 CB PRO A 49 -4.359 -0.967 9.976 1.00 1.00 C ATOM 705 CG PRO A 49 -5.077 -2.179 9.408 1.00 1.00 C ATOM 706 CD PRO A 49 -6.006 -1.696 8.305 1.00 1.00 C ATOM 0 HA PRO A 49 -4.770 1.102 9.507 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -3.294 -1.165 10.095 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -4.748 -0.709 10.961 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -4.359 -2.898 9.014 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -5.643 -2.688 10.188 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.803 -2.208 7.364 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -7.050 -1.888 8.554 1.00 1.00 H new ATOM 714 N LEU A 50 -2.250 0.653 8.736 1.00 1.00 N ATOM 715 CA LEU A 50 -1.020 0.927 8.014 1.00 1.00 C ATOM 716 C LEU A 50 0.127 0.137 8.650 1.00 1.00 C ATOM 717 O LEU A 50 1.102 0.722 9.120 1.00 1.00 O ATOM 718 CB LEU A 50 -0.763 2.433 7.942 1.00 1.00 C ATOM 719 CG LEU A 50 -0.647 3.158 9.284 1.00 1.00 C ATOM 720 CD1 LEU A 50 0.776 3.675 9.507 1.00 1.00 C ATOM 721 CD2 LEU A 50 -1.686 4.274 9.396 1.00 1.00 C ATOM 0 H LEU A 50 -2.156 0.645 9.752 1.00 1.00 H new ATOM 0 HA LEU A 50 -1.104 0.592 6.980 1.00 1.00 H new ATOM 0 HB2 LEU A 50 0.157 2.598 7.382 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -1.570 2.893 7.372 1.00 1.00 H new ATOM 0 HG LEU A 50 -0.857 2.442 10.078 1.00 1.00 H new ATOM 0 HD11 LEU A 50 0.831 4.186 10.468 1.00 1.00 H new ATOM 0 HD12 LEU A 50 1.473 2.837 9.502 1.00 1.00 H new ATOM 0 HD13 LEU A 50 1.039 4.371 8.710 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -1.582 4.773 10.359 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -1.532 4.996 8.594 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.686 3.849 9.314 1.00 1.00 H new ATOM 733 N PRO A 51 -0.032 -1.213 8.645 1.00 1.00 N ATOM 734 CA PRO A 51 0.977 -2.087 9.217 1.00 1.00 C ATOM 735 C PRO A 51 2.195 -2.194 8.297 1.00 1.00 C ATOM 736 O PRO A 51 2.341 -1.409 7.362 1.00 1.00 O ATOM 737 CB PRO A 51 0.272 -3.418 9.424 1.00 1.00 C ATOM 738 CG PRO A 51 -0.963 -3.379 8.538 1.00 1.00 C ATOM 739 CD PRO A 51 -1.174 -1.940 8.097 1.00 1.00 C ATOM 0 HA PRO A 51 1.375 -1.710 10.159 1.00 1.00 H new ATOM 0 HB2 PRO A 51 0.921 -4.250 9.152 1.00 1.00 H new ATOM 0 HB3 PRO A 51 -0.002 -3.556 10.470 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -0.833 -4.028 7.672 1.00 1.00 H new ATOM 0 HG3 PRO A 51 -1.835 -3.744 9.082 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -1.210 -1.860 7.011 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -2.115 -1.543 8.477 1.00 1.00 H new ATOM 747 N ALA A 52 3.038 -3.171 8.595 1.00 1.00 N ATOM 748 CA ALA A 52 4.238 -3.390 7.806 1.00 1.00 C ATOM 749 C ALA A 52 4.497 -4.894 7.684 1.00 1.00 C ATOM 750 O ALA A 52 3.566 -5.694 7.756 1.00 1.00 O ATOM 751 CB ALA A 52 5.413 -2.647 8.446 1.00 1.00 C ATOM 0 H ALA A 52 2.914 -3.820 9.372 1.00 1.00 H new ATOM 0 HA ALA A 52 4.111 -2.994 6.798 1.00 1.00 H new ATOM 0 HB1 ALA A 52 6.313 -2.811 7.854 1.00 1.00 H new ATOM 0 HB2 ALA A 52 5.192 -1.580 8.482 1.00 1.00 H new ATOM 0 HB3 ALA A 52 5.571 -3.020 9.458 1.00 1.00 H new ATOM 757 N GLN A 53 5.765 -5.231 7.502 1.00 1.00 N ATOM 758 CA GLN A 53 6.156 -6.624 7.368 1.00 1.00 C ATOM 759 C GLN A 53 5.575 -7.450 8.517 1.00 1.00 C ATOM 760 O GLN A 53 4.740 -6.963 9.277 1.00 1.00 O ATOM 761 CB GLN A 53 7.679 -6.762 7.309 1.00 1.00 C ATOM 762 CG GLN A 53 8.246 -6.060 6.073 1.00 1.00 C ATOM 763 CD GLN A 53 7.529 -6.524 4.803 1.00 1.00 C ATOM 764 OE1 GLN A 53 7.679 -7.646 4.348 1.00 1.00 O ATOM 765 NE2 GLN A 53 6.742 -5.600 4.259 1.00 1.00 N ATOM 0 H GLN A 53 6.535 -4.564 7.444 1.00 1.00 H new ATOM 0 HA GLN A 53 5.753 -7.007 6.430 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.121 -6.335 8.209 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.952 -7.817 7.289 1.00 1.00 H new ATOM 0 HG2 GLN A 53 8.139 -4.981 6.182 1.00 1.00 H new ATOM 0 HG3 GLN A 53 9.313 -6.268 5.989 1.00 1.00 H new ATOM 0 HE21 GLN A 53 6.662 -4.680 4.691 1.00 1.00 H new ATOM 0 HE22 GLN A 53 6.219 -5.812 3.409 1.00 1.00 H new ATOM 774 N GLU A 54 6.042 -8.687 8.609 1.00 1.00 N ATOM 775 CA GLU A 54 5.578 -9.586 9.652 1.00 1.00 C ATOM 776 C GLU A 54 5.618 -8.886 11.011 1.00 1.00 C ATOM 777 O GLU A 54 4.987 -9.340 11.965 1.00 1.00 O ATOM 778 CB GLU A 54 6.405 -10.874 9.673 1.00 1.00 C ATOM 779 CG GLU A 54 7.702 -10.680 10.462 1.00 1.00 C ATOM 780 CD GLU A 54 8.614 -9.661 9.776 1.00 1.00 C ATOM 781 OE1 GLU A 54 9.255 -10.055 8.778 1.00 1.00 O ATOM 782 OE2 GLU A 54 8.649 -8.511 10.264 1.00 1.00 O ATOM 0 H GLU A 54 6.737 -9.087 7.978 1.00 1.00 H new ATOM 0 HA GLU A 54 4.545 -9.860 9.437 1.00 1.00 H new ATOM 0 HB2 GLU A 54 5.820 -11.678 10.119 1.00 1.00 H new ATOM 0 HB3 GLU A 54 6.638 -11.178 8.652 1.00 1.00 H new ATOM 0 HG2 GLU A 54 7.470 -10.344 11.473 1.00 1.00 H new ATOM 0 HG3 GLU A 54 8.221 -11.634 10.555 1.00 1.00 H new ATOM 789 N SER A 55 6.365 -7.794 11.057 1.00 1.00 N ATOM 790 CA SER A 55 6.494 -7.027 12.284 1.00 1.00 C ATOM 791 C SER A 55 5.111 -6.650 12.815 1.00 1.00 C ATOM 792 O SER A 55 4.109 -7.250 12.428 1.00 1.00 O ATOM 793 CB SER A 55 7.339 -5.770 12.062 1.00 1.00 C ATOM 794 OG SER A 55 8.494 -5.747 12.895 1.00 1.00 O ATOM 0 H SER A 55 6.888 -7.422 10.264 1.00 1.00 H new ATOM 0 HA SER A 55 7.002 -7.648 13.022 1.00 1.00 H new ATOM 0 HB2 SER A 55 7.645 -5.719 11.017 1.00 1.00 H new ATOM 0 HB3 SER A 55 6.732 -4.886 12.260 1.00 1.00 H new ATOM 0 HG SER A 55 8.890 -4.851 12.880 1.00 1.00 H new ATOM 800 N GLU A 56 5.098 -5.659 13.695 1.00 1.00 N ATOM 801 CA GLU A 56 3.853 -5.195 14.283 1.00 1.00 C ATOM 802 C GLU A 56 3.975 -3.727 14.695 1.00 1.00 C ATOM 803 O GLU A 56 3.064 -2.934 14.461 1.00 1.00 O ATOM 804 CB GLU A 56 3.451 -6.068 15.473 1.00 1.00 C ATOM 805 CG GLU A 56 2.530 -5.303 16.427 1.00 1.00 C ATOM 806 CD GLU A 56 2.172 -6.157 17.645 1.00 1.00 C ATOM 807 OE1 GLU A 56 3.099 -6.808 18.174 1.00 1.00 O ATOM 808 OE2 GLU A 56 0.980 -6.139 18.020 1.00 1.00 O ATOM 0 H GLU A 56 5.931 -5.164 14.015 1.00 1.00 H new ATOM 0 HA GLU A 56 3.066 -5.276 13.533 1.00 1.00 H new ATOM 0 HB2 GLU A 56 2.946 -6.966 15.116 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.343 -6.395 16.007 1.00 1.00 H new ATOM 0 HG2 GLU A 56 3.019 -4.385 16.753 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.620 -5.010 15.903 1.00 1.00 H new ATOM 815 N GLU A 57 5.109 -3.408 15.303 1.00 1.00 N ATOM 816 CA GLU A 57 5.362 -2.050 15.751 1.00 1.00 C ATOM 817 C GLU A 57 6.101 -1.263 14.667 1.00 1.00 C ATOM 818 O GLU A 57 6.736 -0.250 14.954 1.00 1.00 O ATOM 819 CB GLU A 57 6.146 -2.042 17.065 1.00 1.00 C ATOM 820 CG GLU A 57 5.255 -1.613 18.232 1.00 1.00 C ATOM 821 CD GLU A 57 5.874 -2.020 19.571 1.00 1.00 C ATOM 822 OE1 GLU A 57 6.767 -2.894 19.542 1.00 1.00 O ATOM 823 OE2 GLU A 57 5.441 -1.446 20.594 1.00 1.00 O ATOM 0 H GLU A 57 5.863 -4.068 15.496 1.00 1.00 H new ATOM 0 HA GLU A 57 4.403 -1.565 15.936 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.550 -3.036 17.258 1.00 1.00 H new ATOM 0 HB3 GLU A 57 6.995 -1.363 16.982 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.111 -0.533 18.207 1.00 1.00 H new ATOM 0 HG3 GLU A 57 4.270 -2.068 18.129 1.00 1.00 H new ATOM 830 N CYS A 58 5.992 -1.758 13.442 1.00 1.00 N ATOM 831 CA CYS A 58 6.643 -1.114 12.314 1.00 1.00 C ATOM 832 C CYS A 58 5.696 -0.049 11.758 1.00 1.00 C ATOM 833 O CYS A 58 6.060 0.698 10.851 1.00 1.00 O ATOM 834 CB CYS A 58 7.053 -2.128 11.244 1.00 1.00 C ATOM 835 SG CYS A 58 8.528 -3.128 11.659 1.00 1.00 S ATOM 0 H CYS A 58 5.463 -2.597 13.207 1.00 1.00 H new ATOM 0 HA CYS A 58 7.567 -0.640 12.645 1.00 1.00 H new ATOM 0 HB2 CYS A 58 6.215 -2.801 11.061 1.00 1.00 H new ATOM 0 HB3 CYS A 58 7.243 -1.595 10.312 1.00 1.00 H new ATOM 840 N VAL A 59 4.499 -0.013 12.325 1.00 1.00 N ATOM 841 CA VAL A 59 3.497 0.948 11.897 1.00 1.00 C ATOM 842 C VAL A 59 3.998 2.364 12.187 1.00 1.00 C ATOM 843 O VAL A 59 4.336 2.687 13.325 1.00 1.00 O ATOM 844 CB VAL A 59 2.156 0.641 12.569 1.00 1.00 C ATOM 845 CG1 VAL A 59 0.987 1.084 11.686 1.00 1.00 C ATOM 846 CG2 VAL A 59 2.047 -0.845 12.918 1.00 1.00 C ATOM 0 H VAL A 59 4.201 -0.634 13.077 1.00 1.00 H new ATOM 0 HA VAL A 59 3.332 0.874 10.822 1.00 1.00 H new ATOM 0 HB VAL A 59 2.108 1.209 13.498 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.046 0.855 12.186 1.00 1.00 H new ATOM 0 HG12 VAL A 59 1.051 2.158 11.509 1.00 1.00 H new ATOM 0 HG13 VAL A 59 1.030 0.556 10.734 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.086 -1.037 13.394 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.126 -1.439 12.008 1.00 1.00 H new ATOM 0 HG23 VAL A 59 2.851 -1.118 13.601 1.00 1.00 H new ATOM 856 N MET A 60 4.032 3.172 11.137 1.00 1.00 N ATOM 857 CA MET A 60 4.487 4.546 11.265 1.00 1.00 C ATOM 858 C MET A 60 4.088 5.371 10.039 1.00 1.00 C ATOM 859 O MET A 60 4.346 4.970 8.905 1.00 1.00 O ATOM 860 CB MET A 60 6.009 4.568 11.421 1.00 1.00 C ATOM 861 CG MET A 60 6.407 4.670 12.895 1.00 1.00 C ATOM 862 SD MET A 60 8.117 4.201 13.099 1.00 1.00 S ATOM 863 CE MET A 60 8.139 2.686 12.153 1.00 1.00 C ATOM 0 H MET A 60 3.752 2.901 10.194 1.00 1.00 H new ATOM 0 HA MET A 60 4.016 4.985 12.145 1.00 1.00 H new ATOM 0 HB2 MET A 60 6.436 3.664 10.987 1.00 1.00 H new ATOM 0 HB3 MET A 60 6.423 5.412 10.870 1.00 1.00 H new ATOM 0 HG2 MET A 60 6.256 5.689 13.251 1.00 1.00 H new ATOM 0 HG3 MET A 60 5.769 4.023 13.498 1.00 1.00 H new ATOM 0 HE1 MET A 60 9.025 2.107 12.413 1.00 1.00 H new ATOM 0 HE2 MET A 60 7.246 2.103 12.379 1.00 1.00 H new ATOM 0 HE3 MET A 60 8.159 2.922 11.089 1.00 1.00 H new ATOM 873 N GLN A 61 3.465 6.509 10.309 1.00 1.00 N ATOM 874 CA GLN A 61 3.028 7.394 9.243 1.00 1.00 C ATOM 875 C GLN A 61 4.237 8.017 8.541 1.00 1.00 C ATOM 876 O GLN A 61 5.343 8.007 9.078 1.00 1.00 O ATOM 877 CB GLN A 61 2.087 8.475 9.779 1.00 1.00 C ATOM 878 CG GLN A 61 0.964 7.859 10.615 1.00 1.00 C ATOM 879 CD GLN A 61 0.451 8.852 11.661 1.00 1.00 C ATOM 880 OE1 GLN A 61 -0.689 9.285 11.637 1.00 1.00 O ATOM 881 NE2 GLN A 61 1.355 9.186 12.577 1.00 1.00 N ATOM 0 H GLN A 61 3.253 6.838 11.251 1.00 1.00 H new ATOM 0 HA GLN A 61 2.473 6.805 8.513 1.00 1.00 H new ATOM 0 HB2 GLN A 61 2.650 9.184 10.386 1.00 1.00 H new ATOM 0 HB3 GLN A 61 1.660 9.036 8.947 1.00 1.00 H new ATOM 0 HG2 GLN A 61 0.145 7.556 9.963 1.00 1.00 H new ATOM 0 HG3 GLN A 61 1.327 6.958 11.110 1.00 1.00 H new ATOM 0 HE21 GLN A 61 2.292 8.786 12.538 1.00 1.00 H new ATOM 0 HE22 GLN A 61 1.111 9.842 13.319 1.00 1.00 H new ATOM 890 N VAL A 62 3.983 8.546 7.353 1.00 1.00 N ATOM 891 CA VAL A 62 5.036 9.172 6.572 1.00 1.00 C ATOM 892 C VAL A 62 5.586 10.375 7.340 1.00 1.00 C ATOM 893 O VAL A 62 5.193 11.513 7.082 1.00 1.00 O ATOM 894 CB VAL A 62 4.511 9.537 5.183 1.00 1.00 C ATOM 895 CG1 VAL A 62 3.445 10.631 5.270 1.00 1.00 C ATOM 896 CG2 VAL A 62 5.655 9.959 4.258 1.00 1.00 C ATOM 0 H VAL A 62 3.063 8.554 6.912 1.00 1.00 H new ATOM 0 HA VAL A 62 5.863 8.478 6.419 1.00 1.00 H new ATOM 0 HB VAL A 62 4.045 8.648 4.757 1.00 1.00 H new ATOM 0 HG11 VAL A 62 3.088 10.872 4.269 1.00 1.00 H new ATOM 0 HG12 VAL A 62 2.611 10.279 5.877 1.00 1.00 H new ATOM 0 HG13 VAL A 62 3.875 11.523 5.726 1.00 1.00 H new ATOM 0 HG21 VAL A 62 5.254 10.213 3.277 1.00 1.00 H new ATOM 0 HG22 VAL A 62 6.162 10.827 4.679 1.00 1.00 H new ATOM 0 HG23 VAL A 62 6.364 9.137 4.159 1.00 1.00 H new ATOM 906 N SER A 63 6.488 10.085 8.267 1.00 1.00 N ATOM 907 CA SER A 63 7.096 11.131 9.073 1.00 1.00 C ATOM 908 C SER A 63 7.649 10.536 10.370 1.00 1.00 C ATOM 909 O SER A 63 8.555 11.101 10.978 1.00 1.00 O ATOM 910 CB SER A 63 6.090 12.241 9.384 1.00 1.00 C ATOM 911 OG SER A 63 4.778 11.728 9.596 1.00 1.00 O ATOM 0 H SER A 63 6.812 9.141 8.478 1.00 1.00 H new ATOM 0 HA SER A 63 7.915 11.570 8.504 1.00 1.00 H new ATOM 0 HB2 SER A 63 6.414 12.786 10.271 1.00 1.00 H new ATOM 0 HB3 SER A 63 6.072 12.955 8.560 1.00 1.00 H new ATOM 0 HG SER A 63 4.293 11.709 8.745 1.00 1.00 H new ATOM 917 N ALA A 64 7.078 9.404 10.754 1.00 1.00 N ATOM 918 CA ALA A 64 7.503 8.725 11.967 1.00 1.00 C ATOM 919 C ALA A 64 8.735 7.870 11.663 1.00 1.00 C ATOM 920 O ALA A 64 9.466 7.483 12.575 1.00 1.00 O ATOM 921 CB ALA A 64 6.342 7.900 12.524 1.00 1.00 C ATOM 0 H ALA A 64 6.325 8.940 10.247 1.00 1.00 H new ATOM 0 HA ALA A 64 7.785 9.448 12.733 1.00 1.00 H new ATOM 0 HB1 ALA A 64 6.661 7.391 13.434 1.00 1.00 H new ATOM 0 HB2 ALA A 64 5.504 8.559 12.752 1.00 1.00 H new ATOM 0 HB3 ALA A 64 6.033 7.162 11.784 1.00 1.00 H new ATOM 927 N ARG A 65 8.926 7.599 10.381 1.00 1.00 N ATOM 928 CA ARG A 65 10.056 6.796 9.947 1.00 1.00 C ATOM 929 C ARG A 65 11.354 7.332 10.554 1.00 1.00 C ATOM 930 O ARG A 65 11.338 8.316 11.291 1.00 1.00 O ATOM 931 CB ARG A 65 10.178 6.797 8.421 1.00 1.00 C ATOM 932 CG ARG A 65 10.355 8.219 7.886 1.00 1.00 C ATOM 933 CD ARG A 65 9.020 8.796 7.410 1.00 1.00 C ATOM 934 NE ARG A 65 9.161 9.327 6.036 1.00 1.00 N ATOM 935 CZ ARG A 65 10.002 10.313 5.694 1.00 1.00 C ATOM 936 NH1 ARG A 65 10.783 10.880 6.622 1.00 1.00 N ATOM 937 NH2 ARG A 65 10.062 10.731 4.422 1.00 1.00 N ATOM 0 H ARG A 65 8.317 7.921 9.629 1.00 1.00 H new ATOM 0 HA ARG A 65 9.886 5.775 10.287 1.00 1.00 H new ATOM 0 HB2 ARG A 65 11.027 6.183 8.120 1.00 1.00 H new ATOM 0 HB3 ARG A 65 9.288 6.347 7.981 1.00 1.00 H new ATOM 0 HG2 ARG A 65 10.773 8.855 8.666 1.00 1.00 H new ATOM 0 HG3 ARG A 65 11.068 8.215 7.062 1.00 1.00 H new ATOM 0 HD2 ARG A 65 8.251 8.024 7.433 1.00 1.00 H new ATOM 0 HD3 ARG A 65 8.696 9.589 8.084 1.00 1.00 H new ATOM 0 HE ARG A 65 8.582 8.917 5.303 1.00 1.00 H new ATOM 0 HH11 ARG A 65 10.738 10.562 7.590 1.00 1.00 H new ATOM 0 HH12 ARG A 65 11.423 11.630 6.361 1.00 1.00 H new ATOM 0 HH21 ARG A 65 9.468 10.299 3.715 1.00 1.00 H new ATOM 0 HH22 ARG A 65 10.702 11.481 4.161 1.00 1.00 H new ATOM 951 N LYS A 66 12.446 6.660 10.224 1.00 1.00 N ATOM 952 CA LYS A 66 13.750 7.057 10.728 1.00 1.00 C ATOM 953 C LYS A 66 14.744 7.122 9.566 1.00 1.00 C ATOM 954 O LYS A 66 15.769 7.795 9.660 1.00 1.00 O ATOM 955 CB LYS A 66 14.191 6.129 11.863 1.00 1.00 C ATOM 956 CG LYS A 66 15.688 6.274 12.140 1.00 1.00 C ATOM 957 CD LYS A 66 16.057 5.664 13.494 1.00 1.00 C ATOM 958 CE LYS A 66 16.739 6.696 14.394 1.00 1.00 C ATOM 959 NZ LYS A 66 17.720 7.490 13.620 1.00 1.00 N ATOM 0 H LYS A 66 12.455 5.843 9.614 1.00 1.00 H new ATOM 0 HA LYS A 66 13.702 8.055 11.163 1.00 1.00 H new ATOM 0 HB2 LYS A 66 13.626 6.360 12.766 1.00 1.00 H new ATOM 0 HB3 LYS A 66 13.965 5.095 11.601 1.00 1.00 H new ATOM 0 HG2 LYS A 66 16.257 5.784 11.349 1.00 1.00 H new ATOM 0 HG3 LYS A 66 15.964 7.328 12.125 1.00 1.00 H new ATOM 0 HD2 LYS A 66 15.159 5.287 13.983 1.00 1.00 H new ATOM 0 HD3 LYS A 66 16.720 4.812 13.344 1.00 1.00 H new ATOM 0 HE2 LYS A 66 15.991 7.357 14.831 1.00 1.00 H new ATOM 0 HE3 LYS A 66 17.241 6.192 15.220 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 18.494 7.792 14.246 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 18.105 6.909 12.848 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 17.251 8.328 13.221 1.00 1.00 H new ATOM 973 N ASN A 67 14.404 6.414 8.499 1.00 1.00 N ATOM 974 CA ASN A 67 15.254 6.384 7.321 1.00 1.00 C ATOM 975 C ASN A 67 16.308 5.288 7.486 1.00 1.00 C ATOM 976 O ASN A 67 17.428 5.558 7.919 1.00 1.00 O ATOM 977 CB ASN A 67 15.982 7.716 7.132 1.00 1.00 C ATOM 978 CG ASN A 67 15.055 8.895 7.434 1.00 1.00 C ATOM 979 OD1 ASN A 67 13.857 8.748 7.607 1.00 1.00 O ATOM 980 ND2 ASN A 67 15.675 10.071 7.488 1.00 1.00 N ATOM 0 H ASN A 67 13.552 5.857 8.426 1.00 1.00 H new ATOM 0 HA ASN A 67 14.622 6.193 6.454 1.00 1.00 H new ATOM 0 HB2 ASN A 67 16.852 7.755 7.788 1.00 1.00 H new ATOM 0 HB3 ASN A 67 16.350 7.791 6.109 1.00 1.00 H new ATOM 0 HD21 ASN A 67 15.143 10.919 7.684 1.00 1.00 H new ATOM 0 HD22 ASN A 67 16.682 10.124 7.333 1.00 1.00 H new ATOM 987 N CYS A 68 15.914 4.074 7.132 1.00 1.00 N ATOM 988 CA CYS A 68 16.811 2.935 7.236 1.00 1.00 C ATOM 989 C CYS A 68 16.933 2.293 5.852 1.00 1.00 C ATOM 990 O CYS A 68 16.500 2.869 4.855 1.00 1.00 O ATOM 991 CB CYS A 68 16.335 1.934 8.290 1.00 1.00 C ATOM 992 SG CYS A 68 17.673 0.997 9.117 1.00 1.00 S ATOM 0 H CYS A 68 14.985 3.854 6.773 1.00 1.00 H new ATOM 0 HA CYS A 68 17.793 3.271 7.568 1.00 1.00 H new ATOM 0 HB2 CYS A 68 15.764 2.470 9.048 1.00 1.00 H new ATOM 0 HB3 CYS A 68 15.653 1.227 7.818 1.00 1.00 H new ATOM 997 N GLY A 69 17.525 1.107 5.836 1.00 1.00 N ATOM 998 CA GLY A 69 17.709 0.380 4.592 1.00 1.00 C ATOM 999 C GLY A 69 18.241 1.301 3.491 1.00 1.00 C ATOM 1000 O GLY A 69 18.567 2.459 3.750 1.00 1.00 O ATOM 0 H GLY A 69 17.883 0.632 6.665 1.00 1.00 H new ATOM 0 HA2 GLY A 69 18.404 -0.445 4.748 1.00 1.00 H new ATOM 0 HA3 GLY A 69 16.761 -0.057 4.279 1.00 1.00 H new ATOM 1004 N TYR A 70 18.313 0.752 2.288 1.00 1.00 N ATOM 1005 CA TYR A 70 18.799 1.510 1.148 1.00 1.00 C ATOM 1006 C TYR A 70 17.866 1.352 -0.055 1.00 1.00 C ATOM 1007 O TYR A 70 16.980 0.500 -0.049 1.00 1.00 O ATOM 1008 CB TYR A 70 20.166 0.917 0.799 1.00 1.00 C ATOM 1009 CG TYR A 70 20.309 -0.565 1.153 1.00 1.00 C ATOM 1010 CD1 TYR A 70 20.504 -0.946 2.465 1.00 1.00 C ATOM 1011 CD2 TYR A 70 20.244 -1.520 0.159 1.00 1.00 C ATOM 1012 CE1 TYR A 70 20.638 -2.341 2.797 1.00 1.00 C ATOM 1013 CE2 TYR A 70 20.378 -2.915 0.491 1.00 1.00 C ATOM 1014 CZ TYR A 70 20.569 -3.257 1.794 1.00 1.00 C ATOM 1015 OH TYR A 70 20.697 -4.573 2.108 1.00 1.00 O ATOM 0 H TYR A 70 18.043 -0.209 2.078 1.00 1.00 H new ATOM 0 HA TYR A 70 18.852 2.572 1.388 1.00 1.00 H new ATOM 0 HB2 TYR A 70 20.344 1.044 -0.269 1.00 1.00 H new ATOM 0 HB3 TYR A 70 20.939 1.481 1.320 1.00 1.00 H new ATOM 0 HD1 TYR A 70 20.556 -0.198 3.243 1.00 1.00 H new ATOM 0 HD2 TYR A 70 20.093 -1.221 -0.868 1.00 1.00 H new ATOM 0 HE1 TYR A 70 20.790 -2.653 3.820 1.00 1.00 H new ATOM 0 HE2 TYR A 70 20.328 -3.673 -0.277 1.00 1.00 H new ATOM 0 HH TYR A 70 20.626 -5.112 1.293 1.00 1.00 H new ATOM 1025 N PRO A 71 18.104 2.210 -1.084 1.00 1.00 N ATOM 1026 CA PRO A 71 17.296 2.173 -2.290 1.00 1.00 C ATOM 1027 C PRO A 71 17.664 0.971 -3.161 1.00 1.00 C ATOM 1028 O PRO A 71 18.084 1.134 -4.305 1.00 1.00 O ATOM 1029 CB PRO A 71 17.553 3.505 -2.976 1.00 1.00 C ATOM 1030 CG PRO A 71 18.842 4.041 -2.375 1.00 1.00 C ATOM 1031 CD PRO A 71 19.145 3.232 -1.125 1.00 1.00 C ATOM 0 HA PRO A 71 16.234 2.046 -2.081 1.00 1.00 H new ATOM 0 HB2 PRO A 71 17.648 3.377 -4.054 1.00 1.00 H new ATOM 0 HB3 PRO A 71 16.727 4.196 -2.809 1.00 1.00 H new ATOM 0 HG2 PRO A 71 19.660 3.959 -3.091 1.00 1.00 H new ATOM 0 HG3 PRO A 71 18.738 5.098 -2.130 1.00 1.00 H new ATOM 0 HD2 PRO A 71 20.138 2.784 -1.174 1.00 1.00 H new ATOM 0 HD3 PRO A 71 19.121 3.858 -0.233 1.00 1.00 H new ATOM 1039 N GLY A 72 17.494 -0.211 -2.586 1.00 1.00 N ATOM 1040 CA GLY A 72 17.804 -1.441 -3.295 1.00 1.00 C ATOM 1041 C GLY A 72 17.300 -2.661 -2.523 1.00 1.00 C ATOM 1042 O GLY A 72 16.794 -3.611 -3.117 1.00 1.00 O ATOM 0 H GLY A 72 17.145 -0.343 -1.637 1.00 1.00 H new ATOM 0 HA2 GLY A 72 17.348 -1.419 -4.285 1.00 1.00 H new ATOM 0 HA3 GLY A 72 18.881 -1.519 -3.442 1.00 1.00 H new ATOM 1046 N ILE A 73 17.459 -2.596 -1.208 1.00 1.00 N ATOM 1047 CA ILE A 73 17.026 -3.684 -0.349 1.00 1.00 C ATOM 1048 C ILE A 73 15.612 -4.111 -0.744 1.00 1.00 C ATOM 1049 O ILE A 73 14.906 -3.373 -1.430 1.00 1.00 O ATOM 1050 CB ILE A 73 17.160 -3.289 1.123 1.00 1.00 C ATOM 1051 CG1 ILE A 73 17.221 -4.526 2.021 1.00 1.00 C ATOM 1052 CG2 ILE A 73 16.039 -2.335 1.539 1.00 1.00 C ATOM 1053 CD1 ILE A 73 17.656 -4.155 3.439 1.00 1.00 C ATOM 0 H ILE A 73 17.881 -1.807 -0.718 1.00 1.00 H new ATOM 0 HA ILE A 73 17.670 -4.553 -0.483 1.00 1.00 H new ATOM 0 HB ILE A 73 18.102 -2.754 1.247 1.00 1.00 H new ATOM 0 HG12 ILE A 73 16.243 -5.006 2.051 1.00 1.00 H new ATOM 0 HG13 ILE A 73 17.919 -5.250 1.601 1.00 1.00 H new ATOM 0 HG21 ILE A 73 16.158 -2.070 2.590 1.00 1.00 H new ATOM 0 HG22 ILE A 73 16.085 -1.432 0.930 1.00 1.00 H new ATOM 0 HG23 ILE A 73 15.075 -2.822 1.395 1.00 1.00 H new ATOM 0 HD11 ILE A 73 17.691 -5.053 4.056 1.00 1.00 H new ATOM 0 HD12 ILE A 73 18.645 -3.697 3.408 1.00 1.00 H new ATOM 0 HD13 ILE A 73 16.943 -3.450 3.865 1.00 1.00 H new ATOM 1065 N SER A 74 15.240 -5.300 -0.296 1.00 1.00 N ATOM 1066 CA SER A 74 13.921 -5.834 -0.594 1.00 1.00 C ATOM 1067 C SER A 74 13.044 -5.792 0.657 1.00 1.00 C ATOM 1068 O SER A 74 13.480 -5.331 1.711 1.00 1.00 O ATOM 1069 CB SER A 74 14.014 -7.264 -1.130 1.00 1.00 C ATOM 1070 OG SER A 74 15.344 -7.605 -1.517 1.00 1.00 O ATOM 0 H SER A 74 15.829 -5.910 0.272 1.00 1.00 H new ATOM 0 HA SER A 74 13.468 -5.214 -1.367 1.00 1.00 H new ATOM 0 HB2 SER A 74 13.669 -7.961 -0.366 1.00 1.00 H new ATOM 0 HB3 SER A 74 13.348 -7.374 -1.986 1.00 1.00 H new ATOM 0 HG SER A 74 15.336 -8.460 -1.996 1.00 1.00 H new ATOM 1076 N PRO A 75 11.790 -6.295 0.498 1.00 1.00 N ATOM 1077 CA PRO A 75 10.847 -6.320 1.603 1.00 1.00 C ATOM 1078 C PRO A 75 11.200 -7.425 2.600 1.00 1.00 C ATOM 1079 O PRO A 75 11.660 -7.145 3.705 1.00 1.00 O ATOM 1080 CB PRO A 75 9.486 -6.516 0.954 1.00 1.00 C ATOM 1081 CG PRO A 75 9.763 -7.058 -0.438 1.00 1.00 C ATOM 1082 CD PRO A 75 11.239 -6.851 -0.735 1.00 1.00 C ATOM 0 HA PRO A 75 10.864 -5.403 2.192 1.00 1.00 H new ATOM 0 HB2 PRO A 75 8.875 -7.212 1.530 1.00 1.00 H new ATOM 0 HB3 PRO A 75 8.937 -5.575 0.905 1.00 1.00 H new ATOM 0 HG2 PRO A 75 9.508 -8.116 -0.493 1.00 1.00 H new ATOM 0 HG3 PRO A 75 9.149 -6.543 -1.177 1.00 1.00 H new ATOM 0 HD2 PRO A 75 11.726 -7.790 -0.998 1.00 1.00 H new ATOM 0 HD3 PRO A 75 11.383 -6.171 -1.575 1.00 1.00 H new ATOM 1090 N GLU A 76 10.970 -8.658 2.174 1.00 1.00 N ATOM 1091 CA GLU A 76 11.258 -9.807 3.015 1.00 1.00 C ATOM 1092 C GLU A 76 12.743 -9.840 3.378 1.00 1.00 C ATOM 1093 O GLU A 76 13.153 -10.589 4.265 1.00 1.00 O ATOM 1094 CB GLU A 76 10.831 -11.108 2.333 1.00 1.00 C ATOM 1095 CG GLU A 76 9.341 -11.379 2.553 1.00 1.00 C ATOM 1096 CD GLU A 76 9.013 -12.856 2.323 1.00 1.00 C ATOM 1097 OE1 GLU A 76 9.945 -13.589 1.927 1.00 1.00 O ATOM 1098 OE2 GLU A 76 7.839 -13.219 2.550 1.00 1.00 O ATOM 0 H GLU A 76 10.587 -8.887 1.257 1.00 1.00 H new ATOM 0 HA GLU A 76 10.681 -9.712 3.935 1.00 1.00 H new ATOM 0 HB2 GLU A 76 11.040 -11.048 1.265 1.00 1.00 H new ATOM 0 HB3 GLU A 76 11.417 -11.938 2.726 1.00 1.00 H new ATOM 0 HG2 GLU A 76 9.062 -11.094 3.567 1.00 1.00 H new ATOM 0 HG3 GLU A 76 8.751 -10.762 1.875 1.00 1.00 H new ATOM 1105 N ASP A 77 13.510 -9.020 2.674 1.00 1.00 N ATOM 1106 CA ASP A 77 14.942 -8.946 2.911 1.00 1.00 C ATOM 1107 C ASP A 77 15.225 -7.879 3.970 1.00 1.00 C ATOM 1108 O ASP A 77 15.892 -8.151 4.968 1.00 1.00 O ATOM 1109 CB ASP A 77 15.692 -8.556 1.637 1.00 1.00 C ATOM 1110 CG ASP A 77 15.532 -9.532 0.469 1.00 1.00 C ATOM 1111 OD1 ASP A 77 14.414 -10.073 0.331 1.00 1.00 O ATOM 1112 OD2 ASP A 77 16.532 -9.714 -0.260 1.00 1.00 O ATOM 0 H ASP A 77 13.167 -8.401 1.939 1.00 1.00 H new ATOM 0 HA ASP A 77 15.279 -9.928 3.242 1.00 1.00 H new ATOM 0 HB2 ASP A 77 15.349 -7.572 1.318 1.00 1.00 H new ATOM 0 HB3 ASP A 77 16.753 -8.464 1.871 1.00 1.00 H new ATOM 1117 N CYS A 78 14.703 -6.687 3.719 1.00 1.00 N ATOM 1118 CA CYS A 78 14.892 -5.578 4.639 1.00 1.00 C ATOM 1119 C CYS A 78 14.602 -6.076 6.056 1.00 1.00 C ATOM 1120 O CYS A 78 15.455 -5.982 6.938 1.00 1.00 O ATOM 1121 CB CYS A 78 14.018 -4.380 4.265 1.00 1.00 C ATOM 1122 SG CYS A 78 14.196 -2.927 5.366 1.00 1.00 S ATOM 0 H CYS A 78 14.149 -6.465 2.892 1.00 1.00 H new ATOM 0 HA CYS A 78 15.922 -5.225 4.583 1.00 1.00 H new ATOM 0 HB2 CYS A 78 14.257 -4.077 3.246 1.00 1.00 H new ATOM 0 HB3 CYS A 78 12.974 -4.694 4.267 1.00 1.00 H new ATOM 1127 N ALA A 79 13.396 -6.594 6.232 1.00 1.00 N ATOM 1128 CA ALA A 79 12.983 -7.106 7.528 1.00 1.00 C ATOM 1129 C ALA A 79 13.894 -8.268 7.926 1.00 1.00 C ATOM 1130 O ALA A 79 14.294 -8.381 9.084 1.00 1.00 O ATOM 1131 CB ALA A 79 11.509 -7.513 7.470 1.00 1.00 C ATOM 0 H ALA A 79 12.691 -6.670 5.499 1.00 1.00 H new ATOM 0 HA ALA A 79 13.078 -6.336 8.293 1.00 1.00 H new ATOM 0 HB1 ALA A 79 11.199 -7.897 8.442 1.00 1.00 H new ATOM 0 HB2 ALA A 79 10.902 -6.645 7.212 1.00 1.00 H new ATOM 0 HB3 ALA A 79 11.375 -8.287 6.714 1.00 1.00 H new ATOM 1137 N ALA A 80 14.197 -9.104 6.943 1.00 1.00 N ATOM 1138 CA ALA A 80 15.055 -10.254 7.177 1.00 1.00 C ATOM 1139 C ALA A 80 16.518 -9.839 7.000 1.00 1.00 C ATOM 1140 O ALA A 80 17.386 -10.684 6.796 1.00 1.00 O ATOM 1141 CB ALA A 80 14.653 -11.389 6.233 1.00 1.00 C ATOM 0 H ALA A 80 13.864 -9.008 5.984 1.00 1.00 H new ATOM 0 HA ALA A 80 14.938 -10.620 8.197 1.00 1.00 H new ATOM 0 HB1 ALA A 80 15.296 -12.252 6.407 1.00 1.00 H new ATOM 0 HB2 ALA A 80 13.615 -11.666 6.418 1.00 1.00 H new ATOM 0 HB3 ALA A 80 14.761 -11.059 5.200 1.00 1.00 H new ATOM 1147 N ARG A 81 16.744 -8.536 7.087 1.00 1.00 N ATOM 1148 CA ARG A 81 18.086 -7.998 6.939 1.00 1.00 C ATOM 1149 C ARG A 81 18.401 -7.037 8.086 1.00 1.00 C ATOM 1150 O ARG A 81 19.468 -7.118 8.692 1.00 1.00 O ATOM 1151 CB ARG A 81 18.240 -7.260 5.608 1.00 1.00 C ATOM 1152 CG ARG A 81 18.428 -8.246 4.452 1.00 1.00 C ATOM 1153 CD ARG A 81 19.897 -8.645 4.305 1.00 1.00 C ATOM 1154 NE ARG A 81 20.753 -7.437 4.317 1.00 1.00 N ATOM 1155 CZ ARG A 81 22.053 -7.441 4.640 1.00 1.00 C ATOM 1156 NH1 ARG A 81 22.655 -8.588 4.981 1.00 1.00 N ATOM 1157 NH2 ARG A 81 22.751 -6.297 4.622 1.00 1.00 N ATOM 0 H ARG A 81 16.021 -7.837 7.258 1.00 1.00 H new ATOM 0 HA ARG A 81 18.783 -8.836 6.960 1.00 1.00 H new ATOM 0 HB2 ARG A 81 17.359 -6.644 5.426 1.00 1.00 H new ATOM 0 HB3 ARG A 81 19.095 -6.586 5.659 1.00 1.00 H new ATOM 0 HG2 ARG A 81 17.822 -9.135 4.625 1.00 1.00 H new ATOM 0 HG3 ARG A 81 18.075 -7.796 3.524 1.00 1.00 H new ATOM 0 HD2 ARG A 81 20.184 -9.312 5.117 1.00 1.00 H new ATOM 0 HD3 ARG A 81 20.042 -9.194 3.375 1.00 1.00 H new ATOM 0 HE ARG A 81 20.326 -6.546 4.063 1.00 1.00 H new ATOM 0 HH11 ARG A 81 22.124 -9.458 4.995 1.00 1.00 H new ATOM 0 HH12 ARG A 81 23.645 -8.591 5.227 1.00 1.00 H new ATOM 0 HH21 ARG A 81 22.292 -5.424 4.362 1.00 1.00 H new ATOM 0 HH22 ARG A 81 23.741 -6.300 4.868 1.00 1.00 H new ATOM 1171 N ASN A 82 17.454 -6.150 8.350 1.00 1.00 N ATOM 1172 CA ASN A 82 17.618 -5.174 9.415 1.00 1.00 C ATOM 1173 C ASN A 82 16.830 -3.909 9.067 1.00 1.00 C ATOM 1174 O ASN A 82 17.121 -3.247 8.073 1.00 1.00 O ATOM 1175 CB ASN A 82 19.087 -4.784 9.584 1.00 1.00 C ATOM 1176 CG ASN A 82 19.768 -4.611 8.224 1.00 1.00 C ATOM 1177 OD1 ASN A 82 21.055 -4.945 8.218 1.00 1.00 O flip ATOM 1178 ND2 ASN A 82 19.164 -4.200 7.247 1.00 1.00 N flip ATOM 0 H ASN A 82 16.570 -6.086 7.845 1.00 1.00 H new ATOM 0 HA ASN A 82 17.255 -5.621 10.341 1.00 1.00 H new ATOM 0 HB2 ASN A 82 19.158 -3.856 10.151 1.00 1.00 H new ATOM 0 HB3 ASN A 82 19.606 -5.550 10.160 1.00 1.00 H new ATOM 0 HD21 ASN A 82 18.175 -3.962 7.322 1.00 1.00 H new ATOM 0 HD22 ASN A 82 19.648 -4.095 6.355 1.00 1.00 H new ATOM 1185 N CYS A 83 15.848 -3.612 9.906 1.00 1.00 N ATOM 1186 CA CYS A 83 15.017 -2.438 9.700 1.00 1.00 C ATOM 1187 C CYS A 83 13.657 -2.900 9.170 1.00 1.00 C ATOM 1188 O CYS A 83 13.562 -3.940 8.522 1.00 1.00 O ATOM 1189 CB CYS A 83 15.684 -1.431 8.762 1.00 1.00 C ATOM 1190 SG CYS A 83 17.345 -0.873 9.288 1.00 1.00 S ATOM 0 H CYS A 83 15.609 -4.164 10.730 1.00 1.00 H new ATOM 0 HA CYS A 83 14.878 -1.916 10.647 1.00 1.00 H new ATOM 0 HB2 CYS A 83 15.763 -1.877 7.771 1.00 1.00 H new ATOM 0 HB3 CYS A 83 15.036 -0.559 8.668 1.00 1.00 H new ATOM 1195 N CYS A 84 12.642 -2.102 9.465 1.00 1.00 N ATOM 1196 CA CYS A 84 11.293 -2.415 9.026 1.00 1.00 C ATOM 1197 C CYS A 84 11.178 -2.071 7.540 1.00 1.00 C ATOM 1198 O CYS A 84 12.043 -1.392 6.989 1.00 1.00 O ATOM 1199 CB CYS A 84 10.241 -1.684 9.864 1.00 1.00 C ATOM 1200 SG CYS A 84 10.208 -2.153 11.632 1.00 1.00 S ATOM 0 H CYS A 84 12.726 -1.239 10.003 1.00 1.00 H new ATOM 0 HA CYS A 84 11.100 -3.479 9.167 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.419 -0.611 9.790 1.00 1.00 H new ATOM 0 HB3 CYS A 84 9.258 -1.874 9.434 1.00 1.00 H new ATOM 1205 N PHE A 85 10.105 -2.554 6.934 1.00 1.00 N ATOM 1206 CA PHE A 85 9.866 -2.306 5.522 1.00 1.00 C ATOM 1207 C PHE A 85 8.377 -2.083 5.248 1.00 1.00 C ATOM 1208 O PHE A 85 7.591 -3.027 5.268 1.00 1.00 O ATOM 1209 CB PHE A 85 10.330 -3.551 4.764 1.00 1.00 C ATOM 1210 CG PHE A 85 10.292 -3.403 3.242 1.00 1.00 C ATOM 1211 CD1 PHE A 85 9.101 -3.430 2.586 1.00 1.00 C ATOM 1212 CD2 PHE A 85 11.449 -3.246 2.543 1.00 1.00 C ATOM 1213 CE1 PHE A 85 9.064 -3.293 1.173 1.00 1.00 C ATOM 1214 CE2 PHE A 85 11.412 -3.109 1.131 1.00 1.00 C ATOM 1215 CZ PHE A 85 10.221 -3.136 0.476 1.00 1.00 C ATOM 0 H PHE A 85 9.390 -3.117 7.395 1.00 1.00 H new ATOM 0 HA PHE A 85 10.404 -1.412 5.206 1.00 1.00 H new ATOM 0 HB2 PHE A 85 11.348 -3.792 5.070 1.00 1.00 H new ATOM 0 HB3 PHE A 85 9.703 -4.394 5.053 1.00 1.00 H new ATOM 0 HD1 PHE A 85 8.183 -3.556 3.140 1.00 1.00 H new ATOM 0 HD2 PHE A 85 12.395 -3.226 3.063 1.00 1.00 H new ATOM 0 HE1 PHE A 85 8.118 -3.313 0.653 1.00 1.00 H new ATOM 0 HE2 PHE A 85 12.330 -2.983 0.577 1.00 1.00 H new ATOM 0 HZ PHE A 85 10.194 -3.033 -0.599 1.00 1.00 H new ATOM 1225 N SER A 86 8.037 -0.827 4.999 1.00 1.00 N ATOM 1226 CA SER A 86 6.657 -0.467 4.721 1.00 1.00 C ATOM 1227 C SER A 86 6.598 0.527 3.559 1.00 1.00 C ATOM 1228 O SER A 86 6.625 1.738 3.773 1.00 1.00 O ATOM 1229 CB SER A 86 5.982 0.125 5.961 1.00 1.00 C ATOM 1230 OG SER A 86 4.588 0.339 5.757 1.00 1.00 O ATOM 0 H SER A 86 8.693 -0.046 4.984 1.00 1.00 H new ATOM 0 HA SER A 86 6.117 -1.372 4.443 1.00 1.00 H new ATOM 0 HB2 SER A 86 6.126 -0.546 6.808 1.00 1.00 H new ATOM 0 HB3 SER A 86 6.460 1.070 6.218 1.00 1.00 H new ATOM 0 HG SER A 86 4.076 -0.266 6.334 1.00 1.00 H new ATOM 1236 N ASP A 87 6.519 -0.022 2.356 1.00 1.00 N ATOM 1237 CA ASP A 87 6.456 0.802 1.161 1.00 1.00 C ATOM 1238 C ASP A 87 5.070 1.441 1.059 1.00 1.00 C ATOM 1239 O ASP A 87 4.809 2.224 0.146 1.00 1.00 O ATOM 1240 CB ASP A 87 6.684 -0.037 -0.098 1.00 1.00 C ATOM 1241 CG ASP A 87 5.455 -0.796 -0.601 1.00 1.00 C ATOM 1242 OD1 ASP A 87 4.954 -1.642 0.171 1.00 1.00 O ATOM 1243 OD2 ASP A 87 5.042 -0.513 -1.747 1.00 1.00 O ATOM 0 H ASP A 87 6.497 -1.027 2.183 1.00 1.00 H new ATOM 0 HA ASP A 87 7.234 1.562 1.234 1.00 1.00 H new ATOM 0 HB2 ASP A 87 7.038 0.618 -0.894 1.00 1.00 H new ATOM 0 HB3 ASP A 87 7.479 -0.755 0.101 1.00 1.00 H new ATOM 1248 N THR A 88 4.217 1.082 2.008 1.00 1.00 N ATOM 1249 CA THR A 88 2.864 1.611 2.036 1.00 1.00 C ATOM 1250 C THR A 88 2.838 3.038 1.485 1.00 1.00 C ATOM 1251 O THR A 88 1.892 3.425 0.800 1.00 1.00 O ATOM 1252 CB THR A 88 2.345 1.506 3.471 1.00 1.00 C ATOM 1253 OG1 THR A 88 1.043 2.080 3.413 1.00 1.00 O ATOM 1254 CG2 THR A 88 3.109 2.411 4.439 1.00 1.00 C ATOM 0 H THR A 88 4.437 0.432 2.762 1.00 1.00 H new ATOM 0 HA THR A 88 2.201 1.034 1.391 1.00 1.00 H new ATOM 0 HB THR A 88 2.418 0.472 3.808 1.00 1.00 H new ATOM 0 HG1 THR A 88 0.633 2.051 4.303 1.00 1.00 H new ATOM 0 HG21 THR A 88 2.700 2.297 5.443 1.00 1.00 H new ATOM 0 HG22 THR A 88 4.163 2.132 4.443 1.00 1.00 H new ATOM 0 HG23 THR A 88 3.009 3.449 4.122 1.00 1.00 H new ATOM 1262 N ILE A 89 3.886 3.782 1.804 1.00 1.00 N ATOM 1263 CA ILE A 89 3.995 5.157 1.350 1.00 1.00 C ATOM 1264 C ILE A 89 5.177 5.280 0.385 1.00 1.00 C ATOM 1265 O ILE A 89 6.332 5.200 0.800 1.00 1.00 O ATOM 1266 CB ILE A 89 4.074 6.112 2.543 1.00 1.00 C ATOM 1267 CG1 ILE A 89 2.681 6.408 3.102 1.00 1.00 C ATOM 1268 CG2 ILE A 89 4.827 7.392 2.172 1.00 1.00 C ATOM 1269 CD1 ILE A 89 2.566 5.953 4.558 1.00 1.00 C ATOM 0 H ILE A 89 4.668 3.458 2.372 1.00 1.00 H new ATOM 0 HA ILE A 89 3.101 5.447 0.798 1.00 1.00 H new ATOM 0 HB ILE A 89 4.641 5.623 3.335 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.478 7.477 3.034 1.00 1.00 H new ATOM 0 HG13 ILE A 89 1.928 5.901 2.498 1.00 1.00 H new ATOM 0 HG21 ILE A 89 4.869 8.053 3.037 1.00 1.00 H new ATOM 0 HG22 ILE A 89 5.840 7.140 1.858 1.00 1.00 H new ATOM 0 HG23 ILE A 89 4.309 7.895 1.356 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.566 6.175 4.931 1.00 1.00 H new ATOM 0 HD12 ILE A 89 2.746 4.880 4.619 1.00 1.00 H new ATOM 0 HD13 ILE A 89 3.304 6.480 5.163 1.00 1.00 H new ATOM 1281 N PRO A 90 4.838 5.476 -0.917 1.00 1.00 N ATOM 1282 CA PRO A 90 5.858 5.609 -1.944 1.00 1.00 C ATOM 1283 C PRO A 90 6.528 6.983 -1.876 1.00 1.00 C ATOM 1284 O PRO A 90 5.877 7.981 -1.573 1.00 1.00 O ATOM 1285 CB PRO A 90 5.129 5.368 -3.256 1.00 1.00 C ATOM 1286 CG PRO A 90 3.652 5.569 -2.955 1.00 1.00 C ATOM 1287 CD PRO A 90 3.480 5.575 -1.445 1.00 1.00 C ATOM 0 HA PRO A 90 6.674 4.897 -1.821 1.00 1.00 H new ATOM 0 HB2 PRO A 90 5.469 6.062 -4.025 1.00 1.00 H new ATOM 0 HB3 PRO A 90 5.318 4.361 -3.629 1.00 1.00 H new ATOM 0 HG2 PRO A 90 3.300 6.508 -3.383 1.00 1.00 H new ATOM 0 HG3 PRO A 90 3.059 4.772 -3.403 1.00 1.00 H new ATOM 0 HD2 PRO A 90 2.989 6.487 -1.106 1.00 1.00 H new ATOM 0 HD3 PRO A 90 2.864 4.739 -1.113 1.00 1.00 H new ATOM 1295 N GLU A 91 7.821 6.990 -2.163 1.00 1.00 N ATOM 1296 CA GLU A 91 8.587 8.225 -2.138 1.00 1.00 C ATOM 1297 C GLU A 91 9.097 8.505 -0.722 1.00 1.00 C ATOM 1298 O GLU A 91 9.205 9.661 -0.315 1.00 1.00 O ATOM 1299 CB GLU A 91 7.755 9.396 -2.663 1.00 1.00 C ATOM 1300 CG GLU A 91 8.577 10.272 -3.611 1.00 1.00 C ATOM 1301 CD GLU A 91 8.283 11.756 -3.379 1.00 1.00 C ATOM 1302 OE1 GLU A 91 7.155 12.047 -2.928 1.00 1.00 O ATOM 1303 OE2 GLU A 91 9.193 12.565 -3.661 1.00 1.00 O ATOM 0 H GLU A 91 8.358 6.160 -2.414 1.00 1.00 H new ATOM 0 HA GLU A 91 9.448 8.110 -2.797 1.00 1.00 H new ATOM 0 HB2 GLU A 91 6.875 9.017 -3.183 1.00 1.00 H new ATOM 0 HB3 GLU A 91 7.397 9.996 -1.826 1.00 1.00 H new ATOM 0 HG2 GLU A 91 9.639 10.080 -3.460 1.00 1.00 H new ATOM 0 HG3 GLU A 91 8.349 10.010 -4.644 1.00 1.00 H new ATOM 1310 N VAL A 92 9.396 7.427 -0.011 1.00 1.00 N ATOM 1311 CA VAL A 92 9.891 7.543 1.349 1.00 1.00 C ATOM 1312 C VAL A 92 10.745 6.317 1.682 1.00 1.00 C ATOM 1313 O VAL A 92 10.812 5.372 0.899 1.00 1.00 O ATOM 1314 CB VAL A 92 8.723 7.738 2.317 1.00 1.00 C ATOM 1315 CG1 VAL A 92 7.625 8.596 1.685 1.00 1.00 C ATOM 1316 CG2 VAL A 92 8.166 6.391 2.783 1.00 1.00 C ATOM 0 H VAL A 92 9.305 6.470 -0.352 1.00 1.00 H new ATOM 0 HA VAL A 92 10.528 8.421 1.450 1.00 1.00 H new ATOM 0 HB VAL A 92 9.099 8.266 3.193 1.00 1.00 H new ATOM 0 HG11 VAL A 92 6.806 8.719 2.394 1.00 1.00 H new ATOM 0 HG12 VAL A 92 8.031 9.574 1.426 1.00 1.00 H new ATOM 0 HG13 VAL A 92 7.254 8.107 0.784 1.00 1.00 H new ATOM 0 HG21 VAL A 92 7.337 6.558 3.470 1.00 1.00 H new ATOM 0 HG22 VAL A 92 7.814 5.825 1.921 1.00 1.00 H new ATOM 0 HG23 VAL A 92 8.950 5.829 3.291 1.00 1.00 H new ATOM 1326 N PRO A 93 11.391 6.375 2.877 1.00 1.00 N ATOM 1327 CA PRO A 93 12.237 5.281 3.324 1.00 1.00 C ATOM 1328 C PRO A 93 11.395 4.095 3.798 1.00 1.00 C ATOM 1329 O PRO A 93 11.034 4.014 4.971 1.00 1.00 O ATOM 1330 CB PRO A 93 13.099 5.876 4.426 1.00 1.00 C ATOM 1331 CG PRO A 93 12.389 7.143 4.873 1.00 1.00 C ATOM 1332 CD PRO A 93 11.334 7.478 3.832 1.00 1.00 C ATOM 0 HA PRO A 93 12.858 4.876 2.525 1.00 1.00 H new ATOM 0 HB2 PRO A 93 13.210 5.177 5.255 1.00 1.00 H new ATOM 0 HB3 PRO A 93 14.101 6.098 4.060 1.00 1.00 H new ATOM 0 HG2 PRO A 93 11.928 6.998 5.850 1.00 1.00 H new ATOM 0 HG3 PRO A 93 13.100 7.963 4.974 1.00 1.00 H new ATOM 0 HD2 PRO A 93 10.345 7.560 4.283 1.00 1.00 H new ATOM 0 HD3 PRO A 93 11.544 8.432 3.348 1.00 1.00 H new ATOM 1340 N TRP A 94 11.108 3.204 2.861 1.00 1.00 N ATOM 1341 CA TRP A 94 10.315 2.025 3.167 1.00 1.00 C ATOM 1342 C TRP A 94 11.013 1.267 4.299 1.00 1.00 C ATOM 1343 O TRP A 94 10.354 0.677 5.154 1.00 1.00 O ATOM 1344 CB TRP A 94 10.099 1.169 1.918 1.00 1.00 C ATOM 1345 CG TRP A 94 9.469 1.924 0.747 1.00 1.00 C ATOM 1346 CD1 TRP A 94 8.993 3.177 0.734 1.00 1.00 C ATOM 1347 CD2 TRP A 94 9.262 1.421 -0.590 1.00 1.00 C ATOM 1348 NE1 TRP A 94 8.498 3.517 -0.509 1.00 1.00 N ATOM 1349 CE2 TRP A 94 8.666 2.415 -1.339 1.00 1.00 C ATOM 1350 CE3 TRP A 94 9.569 0.167 -1.148 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 8.326 2.259 -2.688 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 9.222 0.026 -2.497 1.00 1.00 C ATOM 1353 CH2 TRP A 94 8.622 1.018 -3.265 1.00 1.00 C ATOM 0 H TRP A 94 11.410 3.274 1.889 1.00 1.00 H new ATOM 0 HA TRP A 94 9.317 2.308 3.501 1.00 1.00 H new ATOM 0 HB2 TRP A 94 11.058 0.761 1.600 1.00 1.00 H new ATOM 0 HB3 TRP A 94 9.462 0.323 2.176 1.00 1.00 H new ATOM 0 HD1 TRP A 94 8.996 3.837 1.588 1.00 1.00 H new ATOM 0 HE1 TRP A 94 8.085 4.412 -0.770 1.00 1.00 H new ATOM 0 HE3 TRP A 94 10.036 -0.625 -0.581 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 7.861 3.053 -3.253 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 9.435 -0.919 -2.974 1.00 1.00 H new ATOM 0 HH2 TRP A 94 8.385 0.832 -4.302 1.00 1.00 H new ATOM 1364 N CYS A 95 12.336 1.308 4.266 1.00 1.00 N ATOM 1365 CA CYS A 95 13.132 0.632 5.278 1.00 1.00 C ATOM 1366 C CYS A 95 13.450 1.636 6.388 1.00 1.00 C ATOM 1367 O CYS A 95 14.372 2.439 6.257 1.00 1.00 O ATOM 1368 CB CYS A 95 14.400 0.017 4.683 1.00 1.00 C ATOM 1369 SG CYS A 95 14.124 -1.483 3.672 1.00 1.00 S ATOM 0 H CYS A 95 12.878 1.799 3.555 1.00 1.00 H new ATOM 0 HA CYS A 95 12.565 -0.201 5.694 1.00 1.00 H new ATOM 0 HB2 CYS A 95 14.896 0.767 4.067 1.00 1.00 H new ATOM 0 HB3 CYS A 95 15.083 -0.230 5.496 1.00 1.00 H new ATOM 1374 N PHE A 96 12.668 1.557 7.455 1.00 1.00 N ATOM 1375 CA PHE A 96 12.856 2.449 8.587 1.00 1.00 C ATOM 1376 C PHE A 96 13.249 1.666 9.842 1.00 1.00 C ATOM 1377 O PHE A 96 13.553 0.476 9.766 1.00 1.00 O ATOM 1378 CB PHE A 96 11.517 3.145 8.834 1.00 1.00 C ATOM 1379 CG PHE A 96 10.316 2.196 8.854 1.00 1.00 C ATOM 1380 CD1 PHE A 96 9.758 1.782 7.685 1.00 1.00 C ATOM 1381 CD2 PHE A 96 9.807 1.768 10.040 1.00 1.00 C ATOM 1382 CE1 PHE A 96 8.644 0.901 7.703 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.692 0.889 10.058 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.135 0.473 8.889 1.00 1.00 C ATOM 0 H PHE A 96 11.904 0.890 7.560 1.00 1.00 H new ATOM 0 HA PHE A 96 13.652 3.162 8.371 1.00 1.00 H new ATOM 0 HB2 PHE A 96 11.565 3.674 9.786 1.00 1.00 H new ATOM 0 HB3 PHE A 96 11.361 3.896 8.059 1.00 1.00 H new ATOM 0 HD1 PHE A 96 10.162 2.123 6.743 1.00 1.00 H new ATOM 0 HD2 PHE A 96 10.251 2.097 10.968 1.00 1.00 H new ATOM 0 HE1 PHE A 96 8.201 0.571 6.775 1.00 1.00 H new ATOM 0 HE2 PHE A 96 8.286 0.551 11.000 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.288 -0.197 8.903 1.00 1.00 H new ATOM 1394 N PHE A 97 13.232 2.366 10.966 1.00 1.00 N ATOM 1395 CA PHE A 97 13.583 1.752 12.236 1.00 1.00 C ATOM 1396 C PHE A 97 12.344 1.556 13.111 1.00 1.00 C ATOM 1397 O PHE A 97 11.421 2.368 13.077 1.00 1.00 O ATOM 1398 CB PHE A 97 14.547 2.706 12.943 1.00 1.00 C ATOM 1399 CG PHE A 97 15.916 2.820 12.270 1.00 1.00 C ATOM 1400 CD1 PHE A 97 16.040 3.475 11.085 1.00 1.00 C ATOM 1401 CD2 PHE A 97 17.011 2.267 12.860 1.00 1.00 C ATOM 1402 CE1 PHE A 97 17.311 3.579 10.461 1.00 1.00 C ATOM 1403 CE2 PHE A 97 18.282 2.371 12.236 1.00 1.00 C ATOM 1404 CZ PHE A 97 18.405 3.026 11.049 1.00 1.00 C ATOM 0 H PHE A 97 12.981 3.353 11.024 1.00 1.00 H new ATOM 0 HA PHE A 97 14.032 0.774 12.065 1.00 1.00 H new ATOM 0 HB2 PHE A 97 14.093 3.696 12.990 1.00 1.00 H new ATOM 0 HB3 PHE A 97 14.686 2.370 13.971 1.00 1.00 H new ATOM 0 HD1 PHE A 97 15.172 3.916 10.618 1.00 1.00 H new ATOM 0 HD2 PHE A 97 16.913 1.749 13.803 1.00 1.00 H new ATOM 0 HE1 PHE A 97 17.409 4.098 9.519 1.00 1.00 H new ATOM 0 HE2 PHE A 97 19.151 1.931 12.703 1.00 1.00 H new ATOM 0 HZ PHE A 97 19.372 3.106 10.574 1.00 1.00 H new ATOM 1414 N PRO A 98 12.364 0.444 13.895 1.00 1.00 N ATOM 1415 CA PRO A 98 11.254 0.131 14.778 1.00 1.00 C ATOM 1416 C PRO A 98 11.258 1.040 16.008 1.00 1.00 C ATOM 1417 O PRO A 98 12.279 1.642 16.336 1.00 1.00 O ATOM 1418 CB PRO A 98 11.430 -1.339 15.126 1.00 1.00 C ATOM 1419 CG PRO A 98 12.878 -1.673 14.804 1.00 1.00 C ATOM 1420 CD PRO A 98 13.441 -0.539 13.961 1.00 1.00 C ATOM 0 HA PRO A 98 10.284 0.303 14.311 1.00 1.00 H new ATOM 0 HB2 PRO A 98 11.212 -1.520 16.179 1.00 1.00 H new ATOM 0 HB3 PRO A 98 10.748 -1.962 14.548 1.00 1.00 H new ATOM 0 HG2 PRO A 98 13.456 -1.791 15.721 1.00 1.00 H new ATOM 0 HG3 PRO A 98 12.941 -2.618 14.264 1.00 1.00 H new ATOM 0 HD2 PRO A 98 14.337 -0.115 14.415 1.00 1.00 H new ATOM 0 HD3 PRO A 98 13.722 -0.886 12.967 1.00 1.00 H new ATOM 1428 N MET A 99 10.103 1.113 16.655 1.00 1.00 N ATOM 1429 CA MET A 99 9.961 1.939 17.841 1.00 1.00 C ATOM 1430 C MET A 99 8.993 1.301 18.840 1.00 1.00 C ATOM 1431 O MET A 99 8.225 0.408 18.484 1.00 1.00 O ATOM 1432 CB MET A 99 9.444 3.322 17.441 1.00 1.00 C ATOM 1433 CG MET A 99 8.038 3.230 16.843 1.00 1.00 C ATOM 1434 SD MET A 99 7.552 4.815 16.181 1.00 1.00 S ATOM 1435 CE MET A 99 7.816 5.843 17.617 1.00 1.00 C ATOM 0 H MET A 99 9.258 0.613 16.380 1.00 1.00 H new ATOM 0 HA MET A 99 10.937 2.030 18.317 1.00 1.00 H new ATOM 0 HB2 MET A 99 9.430 3.975 18.313 1.00 1.00 H new ATOM 0 HB3 MET A 99 10.123 3.772 16.716 1.00 1.00 H new ATOM 0 HG2 MET A 99 8.017 2.476 16.056 1.00 1.00 H new ATOM 0 HG3 MET A 99 7.329 2.913 17.607 1.00 1.00 H new ATOM 0 HE1 MET A 99 7.219 6.751 17.529 1.00 1.00 H new ATOM 0 HE2 MET A 99 7.519 5.299 18.514 1.00 1.00 H new ATOM 0 HE3 MET A 99 8.871 6.108 17.686 1.00 1.00 H new ATOM 1445 N SER A 100 9.062 1.783 20.072 1.00 1.00 N ATOM 1446 CA SER A 100 8.202 1.272 21.126 1.00 1.00 C ATOM 1447 C SER A 100 7.162 2.326 21.511 1.00 1.00 C ATOM 1448 O SER A 100 7.317 3.017 22.516 1.00 1.00 O ATOM 1449 CB SER A 100 9.018 0.860 22.351 1.00 1.00 C ATOM 1450 OG SER A 100 10.385 0.619 22.027 1.00 1.00 O ATOM 0 H SER A 100 9.701 2.523 20.364 1.00 1.00 H new ATOM 0 HA SER A 100 7.690 0.387 20.750 1.00 1.00 H new ATOM 0 HB2 SER A 100 8.957 1.643 23.107 1.00 1.00 H new ATOM 0 HB3 SER A 100 8.585 -0.040 22.789 1.00 1.00 H new ATOM 0 HG SER A 100 10.872 0.360 22.837 1.00 1.00 H new ATOM 1456 N VAL A 101 6.125 2.417 20.691 1.00 1.00 N ATOM 1457 CA VAL A 101 5.061 3.374 20.933 1.00 1.00 C ATOM 1458 C VAL A 101 4.539 3.201 22.360 1.00 1.00 C ATOM 1459 O VAL A 101 5.134 3.709 23.309 1.00 1.00 O ATOM 1460 CB VAL A 101 3.967 3.221 19.873 1.00 1.00 C ATOM 1461 CG1 VAL A 101 4.302 4.028 18.618 1.00 1.00 C ATOM 1462 CG2 VAL A 101 3.738 1.747 19.532 1.00 1.00 C ATOM 0 H VAL A 101 6.000 1.842 19.858 1.00 1.00 H new ATOM 0 HA VAL A 101 5.438 4.393 20.847 1.00 1.00 H new ATOM 0 HB VAL A 101 3.040 3.618 20.288 1.00 1.00 H new ATOM 0 HG11 VAL A 101 3.509 3.901 17.881 1.00 1.00 H new ATOM 0 HG12 VAL A 101 4.392 5.083 18.877 1.00 1.00 H new ATOM 0 HG13 VAL A 101 5.245 3.676 18.200 1.00 1.00 H new ATOM 0 HG21 VAL A 101 2.956 1.665 18.777 1.00 1.00 H new ATOM 0 HG22 VAL A 101 4.661 1.315 19.146 1.00 1.00 H new ATOM 0 HG23 VAL A 101 3.433 1.209 20.430 1.00 1.00 H new ATOM 1472 N GLU A 102 3.431 2.481 22.468 1.00 1.00 N ATOM 1473 CA GLU A 102 2.823 2.234 23.764 1.00 1.00 C ATOM 1474 C GLU A 102 1.797 3.323 24.084 1.00 1.00 C ATOM 1475 O GLU A 102 1.897 3.992 25.112 1.00 1.00 O ATOM 1476 CB GLU A 102 3.886 2.141 24.860 1.00 1.00 C ATOM 1477 CG GLU A 102 3.439 1.195 25.978 1.00 1.00 C ATOM 1478 CD GLU A 102 3.671 1.825 27.353 1.00 1.00 C ATOM 1479 OE1 GLU A 102 4.804 1.680 27.859 1.00 1.00 O ATOM 1480 OE2 GLU A 102 2.709 2.437 27.866 1.00 1.00 O ATOM 0 H GLU A 102 2.939 2.061 21.679 1.00 1.00 H new ATOM 0 HA GLU A 102 2.306 1.275 23.725 1.00 1.00 H new ATOM 0 HB2 GLU A 102 4.824 1.787 24.433 1.00 1.00 H new ATOM 0 HB3 GLU A 102 4.077 3.132 25.272 1.00 1.00 H new ATOM 0 HG2 GLU A 102 2.382 0.956 25.857 1.00 1.00 H new ATOM 0 HG3 GLU A 102 3.988 0.256 25.907 1.00 1.00 H new ATOM 1487 N ASP A 103 0.834 3.467 23.187 1.00 1.00 N ATOM 1488 CA ASP A 103 -0.209 4.464 23.362 1.00 1.00 C ATOM 1489 C ASP A 103 -1.216 4.349 22.215 1.00 1.00 C ATOM 1490 O ASP A 103 -1.728 5.358 21.731 1.00 1.00 O ATOM 1491 CB ASP A 103 0.372 5.879 23.341 1.00 1.00 C ATOM 1492 CG ASP A 103 0.923 6.372 24.681 1.00 1.00 C ATOM 1493 OD1 ASP A 103 0.363 5.948 25.715 1.00 1.00 O ATOM 1494 OD2 ASP A 103 1.891 7.160 24.640 1.00 1.00 O ATOM 0 H ASP A 103 0.753 2.910 22.336 1.00 1.00 H new ATOM 0 HA ASP A 103 -0.688 4.285 24.325 1.00 1.00 H new ATOM 0 HB2 ASP A 103 1.171 5.916 22.601 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -0.403 6.569 23.008 1.00 1.00 H new ATOM 1499 N CYS A 104 -1.469 3.112 21.813 1.00 1.00 N ATOM 1500 CA CYS A 104 -2.405 2.853 20.733 1.00 1.00 C ATOM 1501 C CYS A 104 -3.764 2.510 21.346 1.00 1.00 C ATOM 1502 O CYS A 104 -4.711 3.288 21.239 1.00 1.00 O ATOM 1503 CB CYS A 104 -1.903 1.746 19.803 1.00 1.00 C ATOM 1504 SG CYS A 104 -0.081 1.609 19.686 1.00 1.00 S ATOM 0 H CYS A 104 -1.042 2.278 22.216 1.00 1.00 H new ATOM 0 HA CYS A 104 -2.502 3.743 20.112 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -2.304 0.792 20.147 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -2.305 1.919 18.805 1.00 1.00 H new ATOM 1509 N HIS A 105 -3.816 1.346 21.975 1.00 1.00 N ATOM 1510 CA HIS A 105 -5.044 0.890 22.606 1.00 1.00 C ATOM 1511 C HIS A 105 -6.199 0.986 21.607 1.00 1.00 C ATOM 1512 O HIS A 105 -6.015 1.442 20.480 1.00 1.00 O ATOM 1513 CB HIS A 105 -5.311 1.666 23.897 1.00 1.00 C ATOM 1514 CG HIS A 105 -5.610 3.131 23.684 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -6.603 3.576 22.827 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -5.038 4.245 24.224 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -6.618 4.901 22.859 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -5.648 5.313 23.724 1.00 1.00 N ATOM 0 H HIS A 105 -3.028 0.704 22.062 1.00 1.00 H new ATOM 0 HA HIS A 105 -4.944 -0.157 22.894 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -6.151 1.206 24.418 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -4.443 1.574 24.550 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -4.227 4.256 24.937 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -7.282 5.542 22.298 1.00 1.00 H new ATOM 0 HE2 HIS A 105 -5.427 6.283 23.950 1.00 1.00 H new ATOM 1526 N TYR A 106 -7.366 0.547 22.058 1.00 1.00 N ATOM 1527 CA TYR A 106 -8.552 0.577 21.218 1.00 1.00 C ATOM 1528 C TYR A 106 -9.689 1.337 21.903 1.00 1.00 C ATOM 1529 O TYR A 106 -10.035 2.444 21.494 1.00 1.00 O ATOM 1530 CB TYR A 106 -8.970 -0.882 21.027 1.00 1.00 C ATOM 1531 CG TYR A 106 -8.039 -1.683 20.115 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -7.924 -1.348 18.782 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -7.314 -2.741 20.626 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -7.047 -2.102 17.923 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -6.437 -3.495 19.767 1.00 1.00 C ATOM 1536 CZ TYR A 106 -6.347 -3.138 18.459 1.00 1.00 C ATOM 1537 OH TYR A 106 -5.519 -3.850 17.648 1.00 1.00 O ATOM 0 H TYR A 106 -7.515 0.169 22.994 1.00 1.00 H new ATOM 0 HA TYR A 106 -8.341 1.078 20.273 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -9.012 -1.367 22.002 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -9.978 -0.909 20.613 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -8.491 -0.521 18.382 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -7.404 -3.003 21.670 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -6.948 -1.850 16.877 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -5.864 -4.325 20.154 1.00 1.00 H new ATOM 0 HH TYR A 106 -5.083 -4.559 18.166 1.00 1.00 H new