USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 662 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 50 MET CE :methyl 152:sc= -0.0402 (180deg=-0.915) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.231) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -167:sc= -1.53 USER MOD Single : A 15 LYS NZ :NH3+ -129:sc= 0.0117 (180deg=-0.00646) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.092 K(o=0.092,f=-0.45) USER MOD Single : A 31 ASN : amide:sc= 0.606 X(o=0.61,f=0.39) USER MOD Single : A 37 THR OG1 : rot 55:sc= 1.26 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 139:sc= 1.31 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.24) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.543 K(o=-0.54,f=0.62) USER MOD Single : A 67 THR OG1 : rot -108:sc= 1.03 USER MOD Single : A 68 ASN : amide:sc= 0.0568 X(o=0.057,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.69) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.678 -2.003 -4.733 1.00 0.00 N ATOM 30 CA ASP A 3 4.783 -1.535 -6.144 1.00 0.00 C ATOM 31 C ASP A 3 6.266 -1.681 -6.642 1.00 0.00 C ATOM 32 O ASP A 3 7.088 -0.813 -6.322 1.00 0.00 O ATOM 33 CB ASP A 3 4.251 -0.082 -6.292 1.00 0.00 C ATOM 34 CG ASP A 3 2.768 0.115 -5.983 1.00 0.00 C ATOM 35 OD1 ASP A 3 1.965 -0.454 -6.924 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.348 0.719 -5.001 1.00 0.00 O ATOM 0 HA ASP A 3 4.154 -2.160 -6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.830 0.566 -5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.438 0.252 -7.313 1.00 0.00 H new ATOM 41 N PRO A 4 6.664 -2.718 -7.441 1.00 0.00 N ATOM 42 CA PRO A 4 8.074 -2.880 -7.913 1.00 0.00 C ATOM 43 C PRO A 4 8.599 -1.862 -8.984 1.00 0.00 C ATOM 44 O PRO A 4 9.792 -1.548 -8.991 1.00 0.00 O ATOM 45 CB PRO A 4 8.075 -4.348 -8.383 1.00 0.00 C ATOM 46 CG PRO A 4 6.639 -4.652 -8.810 1.00 0.00 C ATOM 47 CD PRO A 4 5.767 -3.807 -7.880 1.00 0.00 C ATOM 0 HA PRO A 4 8.788 -2.651 -7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.768 -4.492 -9.212 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.394 -5.015 -7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.473 -4.389 -9.855 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.412 -5.713 -8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.891 -3.418 -8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.404 -4.390 -7.034 1.00 0.00 H new ATOM 55 N ALA A 5 7.714 -1.301 -9.830 1.00 0.00 N ATOM 56 CA ALA A 5 8.029 -0.120 -10.684 1.00 0.00 C ATOM 57 C ALA A 5 8.357 1.219 -9.933 1.00 0.00 C ATOM 58 O ALA A 5 9.217 1.979 -10.388 1.00 0.00 O ATOM 59 CB ALA A 5 6.852 0.042 -11.663 1.00 0.00 C ATOM 0 H ALA A 5 6.761 -1.646 -9.947 1.00 0.00 H new ATOM 0 HA ALA A 5 8.971 -0.324 -11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.035 0.897 -12.313 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.755 -0.860 -12.268 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.932 0.203 -11.102 1.00 0.00 H new ATOM 65 N ALA A 6 7.736 1.481 -8.768 1.00 0.00 N ATOM 66 CA ALA A 6 8.259 2.474 -7.786 1.00 0.00 C ATOM 67 C ALA A 6 9.577 2.071 -7.034 1.00 0.00 C ATOM 68 O ALA A 6 10.435 2.929 -6.810 1.00 0.00 O ATOM 69 CB ALA A 6 7.109 2.780 -6.809 1.00 0.00 C ATOM 0 H ALA A 6 6.872 1.024 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 6 8.574 3.357 -8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.445 3.505 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.263 3.190 -7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.805 1.862 -6.306 1.00 0.00 H new ATOM 75 N GLY A 7 9.753 0.784 -6.676 1.00 0.00 N ATOM 76 CA GLY A 7 10.994 0.268 -6.037 1.00 0.00 C ATOM 77 C GLY A 7 12.307 0.228 -6.848 1.00 0.00 C ATOM 78 O GLY A 7 13.373 0.235 -6.234 1.00 0.00 O ATOM 0 H GLY A 7 9.042 0.067 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.178 0.870 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.789 -0.747 -5.698 1.00 0.00 H new ATOM 82 N GLU A 8 12.252 0.234 -8.190 1.00 0.00 N ATOM 83 CA GLU A 8 13.443 0.560 -9.041 1.00 0.00 C ATOM 84 C GLU A 8 14.009 2.017 -8.899 1.00 0.00 C ATOM 85 O GLU A 8 15.227 2.203 -8.939 1.00 0.00 O ATOM 86 CB GLU A 8 13.228 0.107 -10.515 1.00 0.00 C ATOM 87 CG GLU A 8 12.083 0.711 -11.367 1.00 0.00 C ATOM 88 CD GLU A 8 12.275 2.147 -11.864 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.307 2.541 -12.401 1.00 0.00 O ATOM 90 OE2 GLU A 8 11.169 2.927 -11.667 1.00 0.00 O ATOM 0 H GLU A 8 11.408 0.020 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 8 14.257 -0.038 -8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.160 0.296 -11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.083 -0.973 -10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.930 0.069 -12.234 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.166 0.675 -10.778 1.00 0.00 H new ATOM 97 N LYS A 9 13.145 3.023 -8.659 1.00 0.00 N ATOM 98 CA LYS A 9 13.571 4.394 -8.236 1.00 0.00 C ATOM 99 C LYS A 9 14.256 4.436 -6.829 1.00 0.00 C ATOM 100 O LYS A 9 15.328 5.022 -6.669 1.00 0.00 O ATOM 101 CB LYS A 9 12.368 5.384 -8.259 1.00 0.00 C ATOM 102 CG LYS A 9 11.493 5.389 -9.531 1.00 0.00 C ATOM 103 CD LYS A 9 10.524 6.589 -9.657 1.00 0.00 C ATOM 104 CE LYS A 9 9.141 6.431 -8.996 1.00 0.00 C ATOM 105 NZ LYS A 9 9.204 6.433 -7.520 1.00 0.00 N ATOM 0 H LYS A 9 12.134 2.920 -8.749 1.00 0.00 H new ATOM 0 HA LYS A 9 14.321 4.702 -8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.727 5.159 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.755 6.392 -8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.147 5.377 -10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.911 4.468 -9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.009 7.465 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.374 6.796 -10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.491 7.241 -9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.687 5.499 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.246 6.546 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.608 5.534 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.802 7.221 -7.199 1.00 0.00 H new ATOM 118 N VAL A 10 13.641 3.776 -5.828 1.00 0.00 N ATOM 119 CA VAL A 10 14.245 3.574 -4.472 1.00 0.00 C ATOM 120 C VAL A 10 15.554 2.688 -4.477 1.00 0.00 C ATOM 121 O VAL A 10 16.514 3.031 -3.783 1.00 0.00 O ATOM 122 CB VAL A 10 13.200 3.086 -3.401 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.659 3.448 -1.969 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.749 3.616 -3.519 1.00 0.00 C ATOM 0 H VAL A 10 12.713 3.364 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 10 14.568 4.568 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 10 13.171 2.016 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.918 3.099 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.617 2.971 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.766 4.529 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.142 3.197 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.751 4.703 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.331 3.321 -4.482 1.00 0.00 H new ATOM 134 N PHE A 11 15.652 1.608 -5.288 1.00 0.00 N ATOM 135 CA PHE A 11 16.958 0.964 -5.633 1.00 0.00 C ATOM 136 C PHE A 11 18.026 1.869 -6.345 1.00 0.00 C ATOM 137 O PHE A 11 19.221 1.620 -6.172 1.00 0.00 O ATOM 138 CB PHE A 11 16.689 -0.348 -6.422 1.00 0.00 C ATOM 139 CG PHE A 11 17.923 -1.263 -6.572 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.340 -2.046 -5.493 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.680 -1.262 -7.749 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.494 -2.819 -5.586 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.837 -2.037 -7.841 1.00 0.00 C ATOM 144 CZ PHE A 11 20.248 -2.807 -6.756 1.00 0.00 C ATOM 0 H PHE A 11 14.845 1.158 -5.720 1.00 0.00 H new ATOM 0 HA PHE A 11 17.437 0.751 -4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 11 15.898 -0.904 -5.920 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.318 -0.092 -7.415 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.763 -2.052 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.368 -0.659 -8.589 1.00 0.00 H new ATOM 0 HE1 PHE A 11 19.804 -3.428 -4.750 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.414 -2.040 -8.754 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.152 -3.395 -6.822 1.00 0.00 H new ATOM 154 N GLY A 12 17.644 2.945 -7.057 1.00 0.00 N ATOM 155 CA GLY A 12 18.580 4.056 -7.394 1.00 0.00 C ATOM 156 C GLY A 12 19.417 4.720 -6.258 1.00 0.00 C ATOM 157 O GLY A 12 20.535 5.175 -6.503 1.00 0.00 O ATOM 0 H GLY A 12 16.698 3.077 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.280 3.680 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.996 4.842 -7.873 1.00 0.00 H new ATOM 161 N LYS A 13 18.898 4.718 -5.020 1.00 0.00 N ATOM 162 CA LYS A 13 19.691 4.996 -3.781 1.00 0.00 C ATOM 163 C LYS A 13 20.761 3.897 -3.414 1.00 0.00 C ATOM 164 O LYS A 13 21.839 4.217 -2.906 1.00 0.00 O ATOM 165 CB LYS A 13 18.731 5.213 -2.563 1.00 0.00 C ATOM 166 CG LYS A 13 17.448 6.069 -2.728 1.00 0.00 C ATOM 167 CD LYS A 13 17.664 7.523 -3.186 1.00 0.00 C ATOM 168 CE LYS A 13 16.326 8.211 -3.502 1.00 0.00 C ATOM 169 NZ LYS A 13 16.564 9.613 -3.897 1.00 0.00 N ATOM 0 H LYS A 13 17.914 4.524 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 13 20.256 5.901 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.420 4.228 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.319 5.662 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.795 5.575 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.919 6.083 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.187 8.079 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 13 18.301 7.538 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.814 7.680 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.674 8.175 -2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.656 10.073 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.034 10.118 -3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.170 9.638 -4.742 1.00 0.00 H new ATOM 182 N CYS A 14 20.442 2.610 -3.645 1.00 0.00 N ATOM 183 CA CYS A 14 21.350 1.458 -3.417 1.00 0.00 C ATOM 184 C CYS A 14 22.418 1.179 -4.532 1.00 0.00 C ATOM 185 O CYS A 14 23.528 0.751 -4.202 1.00 0.00 O ATOM 186 CB CYS A 14 20.437 0.220 -3.234 1.00 0.00 C ATOM 187 SG CYS A 14 18.914 0.542 -2.297 1.00 0.00 S ATOM 0 H CYS A 14 19.529 2.331 -4.003 1.00 0.00 H new ATOM 0 HA CYS A 14 21.959 1.693 -2.544 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.169 -0.167 -4.217 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.003 -0.562 -2.727 1.00 0.00 H new ATOM 0 HG CYS A 14 18.362 -0.587 -1.965 1.00 0.00 H new ATOM 192 N LYS A 15 22.090 1.378 -5.831 1.00 0.00 N ATOM 193 CA LYS A 15 22.941 0.922 -6.978 1.00 0.00 C ATOM 194 C LYS A 15 24.398 1.477 -7.139 1.00 0.00 C ATOM 195 O LYS A 15 25.224 0.824 -7.782 1.00 0.00 O ATOM 196 CB LYS A 15 22.138 1.001 -8.305 1.00 0.00 C ATOM 197 CG LYS A 15 21.865 2.410 -8.883 1.00 0.00 C ATOM 198 CD LYS A 15 21.160 2.448 -10.261 1.00 0.00 C ATOM 199 CE LYS A 15 19.807 1.716 -10.402 1.00 0.00 C ATOM 200 NZ LYS A 15 19.986 0.306 -10.811 1.00 0.00 N ATOM 0 H LYS A 15 21.236 1.855 -6.122 1.00 0.00 H new ATOM 0 HA LYS A 15 23.166 -0.107 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.674 0.424 -9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.178 0.508 -8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.255 2.963 -8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.815 2.938 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.004 3.493 -10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.845 2.030 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.272 1.754 -9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.189 2.232 -11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.380 0.103 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.981 0.142 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.723 -0.320 -10.023 1.00 0.00 H new ATOM 213 N ALA A 16 24.732 2.636 -6.542 1.00 0.00 N ATOM 214 CA ALA A 16 26.147 3.073 -6.372 1.00 0.00 C ATOM 215 C ALA A 16 27.055 2.147 -5.489 1.00 0.00 C ATOM 216 O ALA A 16 28.241 1.987 -5.791 1.00 0.00 O ATOM 217 CB ALA A 16 26.098 4.515 -5.831 1.00 0.00 C ATOM 0 H ALA A 16 24.048 3.293 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 16 26.636 3.009 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.113 4.885 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.576 5.154 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.569 4.528 -4.878 1.00 0.00 H new ATOM 223 N CYS A 17 26.501 1.536 -4.426 1.00 0.00 N ATOM 224 CA CYS A 17 27.184 0.471 -3.651 1.00 0.00 C ATOM 225 C CYS A 17 26.883 -1.002 -4.099 1.00 0.00 C ATOM 226 O CYS A 17 27.815 -1.811 -4.130 1.00 0.00 O ATOM 227 CB CYS A 17 26.812 0.688 -2.172 1.00 0.00 C ATOM 228 SG CYS A 17 27.291 2.336 -1.565 1.00 0.00 S ATOM 0 H CYS A 17 25.570 1.762 -4.077 1.00 0.00 H new ATOM 0 HA CYS A 17 28.254 0.567 -3.833 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.737 0.558 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.298 -0.075 -1.563 1.00 0.00 H new ATOM 0 HG CYS A 17 26.948 2.455 -0.317 1.00 0.00 H new ATOM 233 N HIS A 18 25.615 -1.370 -4.375 1.00 0.00 N ATOM 234 CA HIS A 18 25.194 -2.784 -4.606 1.00 0.00 C ATOM 235 C HIS A 18 24.808 -3.059 -6.092 1.00 0.00 C ATOM 236 O HIS A 18 24.037 -2.308 -6.694 1.00 0.00 O ATOM 237 CB HIS A 18 23.959 -3.087 -3.724 1.00 0.00 C ATOM 238 CG HIS A 18 24.209 -3.216 -2.228 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.591 -4.391 -1.637 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.832 -2.293 -1.250 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.348 -4.111 -0.331 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.834 -2.870 0.033 1.00 0.00 N ATOM 0 H HIS A 18 24.848 -0.702 -4.446 1.00 0.00 H new ATOM 0 HA HIS A 18 26.041 -3.422 -4.353 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.225 -2.296 -3.881 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.508 -4.015 -4.076 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.958 -5.243 -2.062 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.571 -1.265 -1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.554 -4.853 0.427 1.00 0.00 H new ATOM 250 N LYS A 19 25.269 -4.184 -6.664 1.00 0.00 N ATOM 251 CA LYS A 19 25.034 -4.493 -8.111 1.00 0.00 C ATOM 252 C LYS A 19 23.875 -5.497 -8.430 1.00 0.00 C ATOM 253 O LYS A 19 23.278 -5.377 -9.503 1.00 0.00 O ATOM 254 CB LYS A 19 26.377 -4.958 -8.742 1.00 0.00 C ATOM 255 CG LYS A 19 27.441 -3.847 -8.912 1.00 0.00 C ATOM 256 CD LYS A 19 28.798 -4.394 -9.391 1.00 0.00 C ATOM 257 CE LYS A 19 29.845 -3.278 -9.526 1.00 0.00 C ATOM 258 NZ LYS A 19 31.162 -3.848 -9.864 1.00 0.00 N ATOM 0 H LYS A 19 25.802 -4.896 -6.165 1.00 0.00 H new ATOM 0 HA LYS A 19 24.680 -3.566 -8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.797 -5.750 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.170 -5.394 -9.719 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.078 -3.108 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.577 -3.331 -7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 19 29.156 -5.146 -8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.671 -4.892 -10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.537 -2.573 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.912 -2.719 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 31.860 -3.082 -9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 31.460 -4.503 -9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 31.097 -4.362 -10.766 1.00 0.00 H new ATOM 271 N LEU A 20 23.638 -6.538 -7.600 1.00 0.00 N ATOM 272 CA LEU A 20 22.766 -7.726 -7.927 1.00 0.00 C ATOM 273 C LEU A 20 23.016 -8.552 -9.239 1.00 0.00 C ATOM 274 O LEU A 20 22.356 -9.564 -9.482 1.00 0.00 O ATOM 275 CB LEU A 20 21.274 -7.527 -7.517 1.00 0.00 C ATOM 276 CG LEU A 20 20.460 -6.356 -8.109 1.00 0.00 C ATOM 277 CD1 LEU A 20 20.125 -6.556 -9.595 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.139 -6.174 -7.338 1.00 0.00 C ATOM 0 H LEU A 20 24.046 -6.592 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 20 23.185 -8.468 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.745 -8.447 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 20 21.247 -7.425 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 20 21.090 -5.471 -8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.552 -5.702 -9.957 1.00 0.00 H new ATOM 0 HD12 LEU A 20 21.048 -6.643 -10.168 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.536 -7.465 -9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.578 -5.345 -7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.548 -7.087 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.355 -5.961 -6.291 1.00 0.00 H new ATOM 290 N ASP A 21 24.036 -8.187 -10.025 1.00 0.00 N ATOM 291 CA ASP A 21 24.369 -8.836 -11.321 1.00 0.00 C ATOM 292 C ASP A 21 25.689 -9.672 -11.206 1.00 0.00 C ATOM 293 O ASP A 21 26.679 -9.402 -11.897 1.00 0.00 O ATOM 294 CB ASP A 21 24.435 -7.709 -12.392 1.00 0.00 C ATOM 295 CG ASP A 21 23.103 -7.100 -12.842 1.00 0.00 C ATOM 296 OD1 ASP A 21 22.661 -6.099 -12.020 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.520 -7.464 -13.859 1.00 0.00 O ATOM 0 H ASP A 21 24.668 -7.423 -9.785 1.00 0.00 H new ATOM 0 HA ASP A 21 23.608 -9.558 -11.616 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.060 -6.906 -12.001 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.940 -8.107 -13.272 1.00 0.00 H new ATOM 302 N GLY A 22 25.722 -10.689 -10.317 1.00 0.00 N ATOM 303 CA GLY A 22 26.933 -11.538 -10.111 1.00 0.00 C ATOM 304 C GLY A 22 28.094 -10.931 -9.286 1.00 0.00 C ATOM 305 O GLY A 22 28.496 -11.501 -8.272 1.00 0.00 O ATOM 0 H GLY A 22 24.930 -10.947 -9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.619 -12.461 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 22 27.323 -11.812 -11.091 1.00 0.00 H new ATOM 309 N ASN A 23 28.643 -9.792 -9.736 1.00 0.00 N ATOM 310 CA ASN A 23 29.679 -9.030 -8.979 1.00 0.00 C ATOM 311 C ASN A 23 29.069 -8.164 -7.819 1.00 0.00 C ATOM 312 O ASN A 23 27.857 -7.946 -7.723 1.00 0.00 O ATOM 313 CB ASN A 23 30.513 -8.150 -9.955 1.00 0.00 C ATOM 314 CG ASN A 23 31.273 -8.877 -11.071 1.00 0.00 C ATOM 315 OD1 ASN A 23 32.304 -9.499 -10.847 1.00 0.00 O ATOM 316 ND2 ASN A 23 30.810 -8.819 -12.297 1.00 0.00 N ATOM 0 H ASN A 23 28.391 -9.366 -10.628 1.00 0.00 H new ATOM 0 HA ASN A 23 30.336 -9.758 -8.503 1.00 0.00 H new ATOM 0 HB2 ASN A 23 29.841 -7.427 -10.418 1.00 0.00 H new ATOM 0 HB3 ASN A 23 31.235 -7.583 -9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 23 31.308 -9.289 -13.053 1.00 0.00 H new ATOM 0 HD22 ASN A 23 29.952 -8.304 -12.494 1.00 0.00 H new ATOM 323 N ASP A 24 29.942 -7.676 -6.925 1.00 0.00 N ATOM 324 CA ASP A 24 29.524 -7.044 -5.636 1.00 0.00 C ATOM 325 C ASP A 24 29.506 -5.482 -5.720 1.00 0.00 C ATOM 326 O ASP A 24 28.426 -4.898 -5.856 1.00 0.00 O ATOM 327 CB ASP A 24 30.365 -7.656 -4.471 1.00 0.00 C ATOM 328 CG ASP A 24 30.224 -9.168 -4.236 1.00 0.00 C ATOM 329 OD1 ASP A 24 28.931 -9.591 -4.291 1.00 0.00 O ATOM 330 OD2 ASP A 24 31.175 -9.917 -4.045 1.00 0.00 O ATOM 0 H ASP A 24 30.953 -7.701 -7.061 1.00 0.00 H new ATOM 0 HA ASP A 24 28.483 -7.281 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.416 -7.438 -4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.093 -7.142 -3.549 1.00 0.00 H new ATOM 335 N GLY A 25 30.678 -4.824 -5.654 1.00 0.00 N ATOM 336 CA GLY A 25 30.791 -3.339 -5.668 1.00 0.00 C ATOM 337 C GLY A 25 31.403 -2.785 -4.364 1.00 0.00 C ATOM 338 O GLY A 25 32.510 -3.174 -3.980 1.00 0.00 O ATOM 0 H GLY A 25 31.578 -5.299 -5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 25 31.406 -3.032 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.803 -2.903 -5.817 1.00 0.00 H new ATOM 342 N VAL A 26 30.674 -1.895 -3.676 1.00 0.00 N ATOM 343 CA VAL A 26 30.967 -1.542 -2.244 1.00 0.00 C ATOM 344 C VAL A 26 30.235 -2.541 -1.280 1.00 0.00 C ATOM 345 O VAL A 26 30.882 -3.109 -0.398 1.00 0.00 O ATOM 346 CB VAL A 26 30.667 -0.036 -1.903 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.064 0.361 -0.460 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.338 0.985 -2.850 1.00 0.00 C ATOM 0 H VAL A 26 29.875 -1.398 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 26 32.041 -1.651 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 26 29.585 0.014 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.829 1.412 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.510 -0.251 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.133 0.202 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.076 1.996 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.420 0.862 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.992 0.818 -3.870 1.00 0.00 H new ATOM 358 N GLY A 27 28.912 -2.748 -1.439 1.00 0.00 N ATOM 359 CA GLY A 27 28.196 -3.864 -0.778 1.00 0.00 C ATOM 360 C GLY A 27 28.110 -5.192 -1.589 1.00 0.00 C ATOM 361 O GLY A 27 28.431 -5.204 -2.780 1.00 0.00 O ATOM 0 H GLY A 27 28.315 -2.158 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.687 -4.073 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.183 -3.535 -0.548 1.00 0.00 H new ATOM 365 N PRO A 28 27.643 -6.334 -1.009 1.00 0.00 N ATOM 366 CA PRO A 28 27.445 -7.603 -1.766 1.00 0.00 C ATOM 367 C PRO A 28 26.300 -7.579 -2.829 1.00 0.00 C ATOM 368 O PRO A 28 25.400 -6.736 -2.803 1.00 0.00 O ATOM 369 CB PRO A 28 27.153 -8.588 -0.613 1.00 0.00 C ATOM 370 CG PRO A 28 26.469 -7.733 0.451 1.00 0.00 C ATOM 371 CD PRO A 28 27.269 -6.440 0.413 1.00 0.00 C ATOM 0 HA PRO A 28 28.303 -7.852 -2.390 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.510 -9.404 -0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.070 -9.038 -0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.417 -7.564 0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.508 -8.203 1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.675 -5.586 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.145 -6.486 1.060 1.00 0.00 H new ATOM 379 N HIS A 29 26.286 -8.565 -3.737 1.00 0.00 N ATOM 380 CA HIS A 29 25.166 -8.754 -4.697 1.00 0.00 C ATOM 381 C HIS A 29 23.806 -9.098 -3.991 1.00 0.00 C ATOM 382 O HIS A 29 23.719 -10.031 -3.183 1.00 0.00 O ATOM 383 CB HIS A 29 25.587 -9.778 -5.790 1.00 0.00 C ATOM 384 CG HIS A 29 25.926 -11.220 -5.384 1.00 0.00 C ATOM 385 ND1 HIS A 29 27.213 -11.739 -5.412 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.991 -12.241 -5.157 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.920 -13.069 -5.250 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.623 -13.465 -5.063 1.00 0.00 N ATOM 0 H HIS A 29 27.035 -9.250 -3.834 1.00 0.00 H new ATOM 0 HA HIS A 29 24.966 -7.805 -5.194 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.780 -9.826 -6.521 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.458 -9.369 -6.302 1.00 0.00 H new ATOM 0 HD1 HIS A 29 28.112 -11.270 -5.521 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.925 -12.091 -5.068 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.712 -13.803 -5.270 1.00 0.00 H new ATOM 396 N LEU A 30 22.746 -8.324 -4.276 1.00 0.00 N ATOM 397 CA LEU A 30 21.416 -8.487 -3.603 1.00 0.00 C ATOM 398 C LEU A 30 20.387 -9.425 -4.327 1.00 0.00 C ATOM 399 O LEU A 30 19.207 -9.437 -3.963 1.00 0.00 O ATOM 400 CB LEU A 30 20.845 -7.066 -3.312 1.00 0.00 C ATOM 401 CG LEU A 30 21.595 -6.195 -2.267 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.923 -4.816 -2.153 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.669 -6.821 -0.863 1.00 0.00 C ATOM 0 H LEU A 30 22.769 -7.574 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 30 21.589 -9.030 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.817 -6.515 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.814 -7.179 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 30 22.618 -6.112 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.455 -4.212 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.950 -4.317 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.887 -4.941 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.208 -6.151 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.660 -6.980 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.191 -7.776 -0.918 1.00 0.00 H new ATOM 415 N ASN A 31 20.837 -10.275 -5.272 1.00 0.00 N ATOM 416 CA ASN A 31 19.962 -11.244 -5.987 1.00 0.00 C ATOM 417 C ASN A 31 19.375 -12.353 -5.050 1.00 0.00 C ATOM 418 O ASN A 31 20.100 -13.137 -4.426 1.00 0.00 O ATOM 419 CB ASN A 31 20.637 -11.772 -7.284 1.00 0.00 C ATOM 420 CG ASN A 31 21.995 -12.483 -7.218 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.225 -13.411 -6.451 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.940 -12.090 -8.040 1.00 0.00 N ATOM 0 H ASN A 31 21.813 -10.314 -5.565 1.00 0.00 H new ATOM 0 HA ASN A 31 19.077 -10.702 -6.321 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.935 -12.460 -7.755 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.751 -10.922 -7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.848 -12.555 -8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.767 -11.319 -8.685 1.00 0.00 H new ATOM 429 N GLY A 32 18.042 -12.325 -4.884 1.00 0.00 N ATOM 430 CA GLY A 32 17.332 -13.188 -3.904 1.00 0.00 C ATOM 431 C GLY A 32 17.468 -12.854 -2.402 1.00 0.00 C ATOM 432 O GLY A 32 17.334 -13.768 -1.591 1.00 0.00 O ATOM 0 H GLY A 32 17.424 -11.712 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.271 -13.172 -4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.678 -14.211 -4.050 1.00 0.00 H new ATOM 436 N VAL A 33 17.708 -11.586 -2.016 1.00 0.00 N ATOM 437 CA VAL A 33 17.958 -11.209 -0.583 1.00 0.00 C ATOM 438 C VAL A 33 16.744 -11.316 0.413 1.00 0.00 C ATOM 439 O VAL A 33 16.962 -11.574 1.602 1.00 0.00 O ATOM 440 CB VAL A 33 18.748 -9.858 -0.498 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.901 -8.601 -0.790 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.469 -9.676 0.858 1.00 0.00 C ATOM 0 H VAL A 33 17.737 -10.798 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 33 18.593 -12.004 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 33 19.486 -9.946 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.528 -7.713 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.491 -8.665 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.085 -8.536 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.000 -8.724 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.736 -9.686 1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.180 -10.489 1.004 1.00 0.00 H new ATOM 452 N VAL A 34 15.491 -11.134 -0.047 1.00 0.00 N ATOM 453 CA VAL A 34 14.268 -11.262 0.806 1.00 0.00 C ATOM 454 C VAL A 34 14.012 -12.783 1.105 1.00 0.00 C ATOM 455 O VAL A 34 13.602 -13.543 0.222 1.00 0.00 O ATOM 456 CB VAL A 34 13.039 -10.541 0.142 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.789 -10.550 1.052 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.284 -9.065 -0.260 1.00 0.00 C ATOM 0 H VAL A 34 15.286 -10.894 -1.017 1.00 0.00 H new ATOM 0 HA VAL A 34 14.420 -10.758 1.760 1.00 0.00 H new ATOM 0 HB VAL A 34 12.881 -11.129 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.968 -10.040 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.501 -11.580 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.016 -10.037 1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.379 -8.655 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.544 -8.485 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.101 -9.015 -0.980 1.00 0.00 H new ATOM 468 N GLY A 35 14.318 -13.222 2.337 1.00 0.00 N ATOM 469 CA GLY A 35 14.485 -14.672 2.656 1.00 0.00 C ATOM 470 C GLY A 35 15.898 -15.314 2.544 1.00 0.00 C ATOM 471 O GLY A 35 15.982 -16.542 2.547 1.00 0.00 O ATOM 0 H GLY A 35 14.457 -12.603 3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.134 -14.826 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.817 -15.231 2.001 1.00 0.00 H new ATOM 475 N ARG A 36 16.988 -14.529 2.487 1.00 0.00 N ATOM 476 CA ARG A 36 18.391 -15.042 2.464 1.00 0.00 C ATOM 477 C ARG A 36 19.121 -14.719 3.802 1.00 0.00 C ATOM 478 O ARG A 36 18.848 -13.690 4.432 1.00 0.00 O ATOM 479 CB ARG A 36 19.090 -14.354 1.262 1.00 0.00 C ATOM 480 CG ARG A 36 20.460 -14.921 0.813 1.00 0.00 C ATOM 481 CD ARG A 36 21.027 -14.237 -0.452 1.00 0.00 C ATOM 482 NE ARG A 36 21.677 -12.934 -0.132 1.00 0.00 N ATOM 483 CZ ARG A 36 22.208 -12.104 -1.032 1.00 0.00 C ATOM 484 NH1 ARG A 36 22.078 -12.241 -2.329 1.00 0.00 N ATOM 485 NH2 ARG A 36 22.903 -11.087 -0.611 1.00 0.00 N ATOM 0 H ARG A 36 16.932 -13.511 2.455 1.00 0.00 H new ATOM 0 HA ARG A 36 18.413 -16.126 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.412 -14.396 0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.226 -13.301 1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.175 -14.809 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.357 -15.989 0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.751 -14.897 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 36 20.223 -14.076 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 36 21.719 -12.656 0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.542 -13.022 -2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 36 22.512 -11.567 -2.959 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.033 -10.937 0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.318 -10.440 -1.282 1.00 0.00 H new ATOM 499 N THR A 37 20.085 -15.564 4.228 1.00 0.00 N ATOM 500 CA THR A 37 20.786 -15.364 5.532 1.00 0.00 C ATOM 501 C THR A 37 21.564 -14.012 5.665 1.00 0.00 C ATOM 502 O THR A 37 22.089 -13.457 4.690 1.00 0.00 O ATOM 503 CB THR A 37 21.580 -16.628 5.993 1.00 0.00 C ATOM 504 OG1 THR A 37 21.510 -16.732 7.411 1.00 0.00 O ATOM 505 CG2 THR A 37 23.070 -16.634 5.624 1.00 0.00 C ATOM 0 H THR A 37 20.398 -16.381 3.703 1.00 0.00 H new ATOM 0 HA THR A 37 19.988 -15.246 6.265 1.00 0.00 H new ATOM 0 HB THR A 37 21.110 -17.460 5.469 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.571 -16.732 7.693 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.531 -17.552 5.988 1.00 0.00 H new ATOM 0 HG22 THR A 37 23.177 -16.579 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.562 -15.775 6.081 1.00 0.00 H new ATOM 513 N VAL A 38 21.654 -13.514 6.905 1.00 0.00 N ATOM 514 CA VAL A 38 22.450 -12.307 7.236 1.00 0.00 C ATOM 515 C VAL A 38 23.964 -12.708 7.330 1.00 0.00 C ATOM 516 O VAL A 38 24.340 -13.622 8.069 1.00 0.00 O ATOM 517 CB VAL A 38 21.871 -11.601 8.511 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.582 -10.258 8.801 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.341 -11.353 8.499 1.00 0.00 C ATOM 0 H VAL A 38 21.183 -13.928 7.709 1.00 0.00 H new ATOM 0 HA VAL A 38 22.378 -11.557 6.449 1.00 0.00 H new ATOM 0 HB VAL A 38 22.069 -12.324 9.303 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.150 -9.803 9.692 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.645 -10.437 8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.453 -9.587 7.952 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.045 -10.861 9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.082 -10.718 7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.819 -12.306 8.411 1.00 0.00 H new ATOM 529 N ALA A 39 24.798 -12.065 6.489 1.00 0.00 N ATOM 530 CA ALA A 39 26.068 -12.652 5.963 1.00 0.00 C ATOM 531 C ALA A 39 25.870 -13.815 4.924 1.00 0.00 C ATOM 532 O ALA A 39 26.289 -14.955 5.145 1.00 0.00 O ATOM 533 CB ALA A 39 27.116 -12.929 7.063 1.00 0.00 C ATOM 0 H ALA A 39 24.618 -11.121 6.148 1.00 0.00 H new ATOM 0 HA ALA A 39 26.514 -11.862 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 39 28.013 -13.354 6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.370 -11.996 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.706 -13.632 7.788 1.00 0.00 H new ATOM 581 N PHE A 44 32.285 -12.182 -0.110 1.00 0.00 N ATOM 582 CA PHE A 44 32.340 -10.828 0.503 1.00 0.00 C ATOM 583 C PHE A 44 32.766 -10.892 2.015 1.00 0.00 C ATOM 584 O PHE A 44 32.253 -11.702 2.796 1.00 0.00 O ATOM 585 CB PHE A 44 30.948 -10.162 0.285 1.00 0.00 C ATOM 586 CG PHE A 44 30.865 -8.686 0.719 1.00 0.00 C ATOM 587 CD1 PHE A 44 30.526 -8.364 2.038 1.00 0.00 C ATOM 588 CD2 PHE A 44 31.207 -7.660 -0.168 1.00 0.00 C ATOM 589 CE1 PHE A 44 30.566 -7.044 2.476 1.00 0.00 C ATOM 590 CE2 PHE A 44 31.234 -6.337 0.267 1.00 0.00 C ATOM 591 CZ PHE A 44 30.919 -6.030 1.590 1.00 0.00 C ATOM 0 HA PHE A 44 33.107 -10.218 0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.689 -10.231 -0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.198 -10.731 0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 44 30.231 -9.146 2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 44 31.451 -7.894 -1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 44 30.324 -6.807 3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 44 31.499 -5.548 -0.421 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.949 -5.005 1.928 1.00 0.00 H new ATOM 601 N ASN A 45 33.676 -9.991 2.431 1.00 0.00 N ATOM 602 CA ASN A 45 34.121 -9.888 3.848 1.00 0.00 C ATOM 603 C ASN A 45 33.103 -9.074 4.721 1.00 0.00 C ATOM 604 O ASN A 45 33.205 -7.850 4.856 1.00 0.00 O ATOM 605 CB ASN A 45 35.559 -9.298 3.825 1.00 0.00 C ATOM 606 CG ASN A 45 36.305 -9.349 5.163 1.00 0.00 C ATOM 607 OD1 ASN A 45 37.039 -10.283 5.462 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.139 -8.364 6.011 1.00 0.00 N ATOM 0 H ASN A 45 34.123 -9.318 1.809 1.00 0.00 H new ATOM 0 HA ASN A 45 34.148 -10.865 4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.144 -9.837 3.080 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.504 -8.260 3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.619 -8.379 6.911 1.00 0.00 H new ATOM 0 HD22 ASN A 45 35.530 -7.582 5.771 1.00 0.00 H new ATOM 615 N TYR A 46 32.147 -9.782 5.342 1.00 0.00 N ATOM 616 CA TYR A 46 31.142 -9.167 6.258 1.00 0.00 C ATOM 617 C TYR A 46 31.708 -8.843 7.687 1.00 0.00 C ATOM 618 O TYR A 46 32.739 -9.379 8.109 1.00 0.00 O ATOM 619 CB TYR A 46 29.913 -10.123 6.350 1.00 0.00 C ATOM 620 CG TYR A 46 29.050 -10.280 5.086 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.015 -9.381 4.813 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.251 -11.369 4.232 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.164 -9.590 3.731 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.419 -11.559 3.134 1.00 0.00 C ATOM 625 CZ TYR A 46 27.367 -10.682 2.889 1.00 0.00 C ATOM 626 OH TYR A 46 26.509 -10.940 1.852 1.00 0.00 O ATOM 0 H TYR A 46 32.039 -10.790 5.232 1.00 0.00 H new ATOM 0 HA TYR A 46 30.853 -8.203 5.840 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.274 -11.110 6.638 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.270 -9.771 7.157 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.874 -8.518 5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.054 -12.064 4.426 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.348 -8.907 3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.590 -12.392 2.468 1.00 0.00 H new ATOM 0 HH TYR A 46 26.808 -11.740 1.372 1.00 0.00 H new ATOM 636 N SER A 47 31.018 -7.977 8.458 1.00 0.00 N ATOM 637 CA SER A 47 31.413 -7.664 9.861 1.00 0.00 C ATOM 638 C SER A 47 31.090 -8.792 10.903 1.00 0.00 C ATOM 639 O SER A 47 30.266 -9.682 10.663 1.00 0.00 O ATOM 640 CB SER A 47 30.818 -6.279 10.234 1.00 0.00 C ATOM 641 OG SER A 47 29.417 -6.305 10.513 1.00 0.00 O ATOM 0 H SER A 47 30.186 -7.480 8.140 1.00 0.00 H new ATOM 0 HA SER A 47 32.501 -7.617 9.908 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.345 -5.892 11.106 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.002 -5.583 9.415 1.00 0.00 H new ATOM 0 HG SER A 47 29.227 -5.737 11.289 1.00 0.00 H new ATOM 647 N ASP A 48 31.732 -8.741 12.090 1.00 0.00 N ATOM 648 CA ASP A 48 31.474 -9.714 13.197 1.00 0.00 C ATOM 649 C ASP A 48 29.986 -9.797 13.710 1.00 0.00 C ATOM 650 O ASP A 48 29.466 -10.917 13.711 1.00 0.00 O ATOM 651 CB ASP A 48 32.478 -9.467 14.360 1.00 0.00 C ATOM 652 CG ASP A 48 32.889 -10.737 15.100 1.00 0.00 C ATOM 653 OD1 ASP A 48 31.989 -11.091 16.059 1.00 0.00 O ATOM 654 OD2 ASP A 48 33.909 -11.371 14.855 1.00 0.00 O ATOM 0 H ASP A 48 32.436 -8.038 12.316 1.00 0.00 H new ATOM 0 HA ASP A 48 31.639 -10.700 12.763 1.00 0.00 H new ATOM 0 HB2 ASP A 48 33.371 -8.986 13.961 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.032 -8.772 15.071 1.00 0.00 H new ATOM 659 N PRO A 49 29.252 -8.708 14.105 1.00 0.00 N ATOM 660 CA PRO A 49 27.793 -8.792 14.404 1.00 0.00 C ATOM 661 C PRO A 49 26.831 -9.046 13.191 1.00 0.00 C ATOM 662 O PRO A 49 25.710 -9.515 13.398 1.00 0.00 O ATOM 663 CB PRO A 49 27.560 -7.465 15.147 1.00 0.00 C ATOM 664 CG PRO A 49 28.564 -6.483 14.545 1.00 0.00 C ATOM 665 CD PRO A 49 29.756 -7.320 14.089 1.00 0.00 C ATOM 0 HA PRO A 49 27.542 -9.682 14.981 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.537 -7.113 15.012 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.719 -7.582 16.219 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.125 -5.942 13.707 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.869 -5.739 15.280 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.089 -7.029 13.093 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.608 -7.198 14.758 1.00 0.00 H new ATOM 673 N MET A 50 27.268 -8.801 11.939 1.00 0.00 N ATOM 674 CA MET A 50 26.606 -9.352 10.724 1.00 0.00 C ATOM 675 C MET A 50 26.694 -10.912 10.592 1.00 0.00 C ATOM 676 O MET A 50 25.658 -11.567 10.445 1.00 0.00 O ATOM 677 CB MET A 50 27.207 -8.588 9.516 1.00 0.00 C ATOM 678 CG MET A 50 26.461 -8.789 8.193 1.00 0.00 C ATOM 679 SD MET A 50 24.797 -8.127 8.345 1.00 0.00 S ATOM 680 CE MET A 50 24.735 -6.972 6.977 1.00 0.00 C ATOM 0 H MET A 50 28.082 -8.221 11.735 1.00 0.00 H new ATOM 0 HA MET A 50 25.529 -9.192 10.782 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.224 -7.523 9.749 1.00 0.00 H new ATOM 0 HB3 MET A 50 28.243 -8.902 9.384 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.992 -8.288 7.383 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.422 -9.849 7.941 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.705 -6.868 6.635 1.00 0.00 H new ATOM 0 HE2 MET A 50 25.108 -6.001 7.303 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.353 -7.343 6.160 1.00 0.00 H new ATOM 690 N LYS A 51 27.902 -11.503 10.689 1.00 0.00 N ATOM 691 CA LYS A 51 28.088 -12.983 10.775 1.00 0.00 C ATOM 692 C LYS A 51 27.448 -13.667 12.032 1.00 0.00 C ATOM 693 O LYS A 51 26.801 -14.706 11.885 1.00 0.00 O ATOM 694 CB LYS A 51 29.603 -13.315 10.659 1.00 0.00 C ATOM 695 CG LYS A 51 30.267 -12.998 9.297 1.00 0.00 C ATOM 696 CD LYS A 51 31.765 -13.369 9.271 1.00 0.00 C ATOM 697 CE LYS A 51 32.493 -13.024 7.959 1.00 0.00 C ATOM 698 NZ LYS A 51 32.120 -13.939 6.859 1.00 0.00 N ATOM 0 H LYS A 51 28.777 -10.980 10.711 1.00 0.00 H new ATOM 0 HA LYS A 51 27.536 -13.409 9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.135 -12.766 11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.739 -14.376 10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.747 -13.541 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.155 -11.936 9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.266 -12.858 10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 51 31.863 -14.439 9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.257 -11.999 7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 51 33.570 -13.071 8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 32.633 -13.671 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 32.368 -14.915 7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 31.096 -13.876 6.687 1.00 0.00 H new ATOM 711 N ALA A 52 27.579 -13.084 13.241 1.00 0.00 N ATOM 712 CA ALA A 52 26.827 -13.538 14.445 1.00 0.00 C ATOM 713 C ALA A 52 25.269 -13.329 14.480 1.00 0.00 C ATOM 714 O ALA A 52 24.615 -13.934 15.333 1.00 0.00 O ATOM 715 CB ALA A 52 27.522 -12.886 15.655 1.00 0.00 C ATOM 0 H ALA A 52 28.200 -12.294 13.417 1.00 0.00 H new ATOM 0 HA ALA A 52 26.871 -14.627 14.445 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.012 -13.184 16.571 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.562 -13.211 15.696 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.485 -11.801 15.555 1.00 0.00 H new ATOM 721 N HIS A 53 24.657 -12.551 13.560 1.00 0.00 N ATOM 722 CA HIS A 53 23.186 -12.597 13.306 1.00 0.00 C ATOM 723 C HIS A 53 22.750 -13.939 12.619 1.00 0.00 C ATOM 724 O HIS A 53 21.996 -14.705 13.225 1.00 0.00 O ATOM 725 CB HIS A 53 22.776 -11.298 12.544 1.00 0.00 C ATOM 726 CG HIS A 53 21.274 -10.980 12.407 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.280 -11.887 12.051 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.729 -9.684 12.487 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.206 -11.037 11.967 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.375 -9.702 12.205 1.00 0.00 N ATOM 0 H HIS A 53 25.154 -11.879 12.975 1.00 0.00 H new ATOM 0 HA HIS A 53 22.634 -12.607 14.246 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.251 -10.454 13.044 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.198 -11.353 11.541 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.292 -8.796 12.735 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.229 -11.422 11.713 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.698 -8.939 12.181 1.00 0.00 H new ATOM 738 N GLY A 54 23.194 -14.222 11.375 1.00 0.00 N ATOM 739 CA GLY A 54 22.733 -15.414 10.612 1.00 0.00 C ATOM 740 C GLY A 54 21.241 -15.366 10.208 1.00 0.00 C ATOM 741 O GLY A 54 20.785 -14.378 9.633 1.00 0.00 O ATOM 0 H GLY A 54 23.870 -13.645 10.874 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.339 -15.513 9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.907 -16.307 11.213 1.00 0.00 H new ATOM 745 N GLY A 55 20.471 -16.431 10.484 1.00 0.00 N ATOM 746 CA GLY A 55 18.987 -16.407 10.321 1.00 0.00 C ATOM 747 C GLY A 55 18.492 -16.110 8.888 1.00 0.00 C ATOM 748 O GLY A 55 18.958 -16.764 7.950 1.00 0.00 O ATOM 0 H GLY A 55 20.838 -17.321 10.820 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.587 -17.371 10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.575 -15.656 10.995 1.00 0.00 H new ATOM 752 N ASP A 56 17.622 -15.095 8.719 1.00 0.00 N ATOM 753 CA ASP A 56 17.270 -14.552 7.377 1.00 0.00 C ATOM 754 C ASP A 56 16.878 -13.042 7.382 1.00 0.00 C ATOM 755 O ASP A 56 16.287 -12.522 8.336 1.00 0.00 O ATOM 756 CB ASP A 56 16.122 -15.370 6.714 1.00 0.00 C ATOM 757 CG ASP A 56 16.498 -16.746 6.169 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.334 -16.929 5.292 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.799 -17.749 6.765 1.00 0.00 O ATOM 0 H ASP A 56 17.146 -14.629 9.491 1.00 0.00 H new ATOM 0 HA ASP A 56 18.186 -14.647 6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.326 -15.499 7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.709 -14.779 5.896 1.00 0.00 H new ATOM 764 N TRP A 57 17.104 -12.374 6.230 1.00 0.00 N ATOM 765 CA TRP A 57 16.484 -11.059 5.922 1.00 0.00 C ATOM 766 C TRP A 57 14.992 -11.186 5.484 1.00 0.00 C ATOM 767 O TRP A 57 14.660 -11.231 4.296 1.00 0.00 O ATOM 768 CB TRP A 57 17.346 -10.293 4.871 1.00 0.00 C ATOM 769 CG TRP A 57 18.540 -9.509 5.427 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.886 -9.694 5.044 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.569 -8.608 6.487 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.758 -8.943 5.859 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.925 -8.323 6.771 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.541 -8.125 7.347 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.270 -7.663 7.969 1.00 0.00 C ATOM 776 CZ3 TRP A 57 17.908 -7.453 8.509 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.253 -7.246 8.827 1.00 0.00 C ATOM 0 H TRP A 57 17.715 -12.724 5.491 1.00 0.00 H new ATOM 0 HA TRP A 57 16.468 -10.474 6.842 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.717 -11.012 4.140 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.698 -9.599 4.335 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.207 -10.329 4.231 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.773 -8.873 5.791 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.500 -8.277 7.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.306 -7.483 8.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.142 -7.086 9.175 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.509 -6.754 9.754 1.00 0.00 H new ATOM 788 N THR A 58 14.089 -11.201 6.474 1.00 0.00 N ATOM 789 CA THR A 58 12.614 -11.238 6.246 1.00 0.00 C ATOM 790 C THR A 58 12.028 -9.876 5.710 1.00 0.00 C ATOM 791 O THR A 58 12.603 -8.819 6.011 1.00 0.00 O ATOM 792 CB THR A 58 11.887 -11.681 7.560 1.00 0.00 C ATOM 793 OG1 THR A 58 12.139 -10.779 8.632 1.00 0.00 O ATOM 794 CG2 THR A 58 12.227 -13.094 8.065 1.00 0.00 C ATOM 0 H THR A 58 14.347 -11.188 7.461 1.00 0.00 H new ATOM 0 HA THR A 58 12.431 -11.969 5.459 1.00 0.00 H new ATOM 0 HB THR A 58 10.838 -11.679 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.668 -11.086 9.435 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.669 -13.298 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.957 -13.827 7.304 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.296 -13.160 8.270 1.00 0.00 H new ATOM 802 N PRO A 59 10.864 -9.814 4.986 1.00 0.00 N ATOM 803 CA PRO A 59 10.237 -8.515 4.563 1.00 0.00 C ATOM 804 C PRO A 59 9.659 -7.535 5.656 1.00 0.00 C ATOM 805 O PRO A 59 8.942 -6.591 5.321 1.00 0.00 O ATOM 806 CB PRO A 59 9.166 -9.018 3.570 1.00 0.00 C ATOM 807 CG PRO A 59 8.785 -10.418 4.047 1.00 0.00 C ATOM 808 CD PRO A 59 10.106 -11.004 4.540 1.00 0.00 C ATOM 0 HA PRO A 59 10.998 -7.841 4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.299 -8.358 3.562 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.557 -9.044 2.553 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.041 -10.381 4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.359 -11.014 3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.952 -11.711 5.355 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.629 -11.540 3.747 1.00 0.00 H new ATOM 816 N GLU A 60 10.028 -7.723 6.932 1.00 0.00 N ATOM 817 CA GLU A 60 9.785 -6.756 8.042 1.00 0.00 C ATOM 818 C GLU A 60 11.100 -6.428 8.839 1.00 0.00 C ATOM 819 O GLU A 60 11.337 -5.255 9.135 1.00 0.00 O ATOM 820 CB GLU A 60 8.612 -7.242 8.948 1.00 0.00 C ATOM 821 CG GLU A 60 7.610 -6.147 9.400 1.00 0.00 C ATOM 822 CD GLU A 60 8.183 -4.989 10.225 1.00 0.00 C ATOM 823 OE1 GLU A 60 8.616 -5.127 11.366 1.00 0.00 O ATOM 824 OE2 GLU A 60 8.153 -3.797 9.552 1.00 0.00 O ATOM 0 H GLU A 60 10.514 -8.565 7.240 1.00 0.00 H new ATOM 0 HA GLU A 60 9.472 -5.807 7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.060 -8.014 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.034 -7.711 9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.137 -5.730 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.824 -6.625 9.984 1.00 0.00 H new ATOM 831 N ALA A 61 12.003 -7.402 9.119 1.00 0.00 N ATOM 832 CA ALA A 61 13.414 -7.107 9.511 1.00 0.00 C ATOM 833 C ALA A 61 14.232 -6.209 8.518 1.00 0.00 C ATOM 834 O ALA A 61 14.903 -5.281 8.975 1.00 0.00 O ATOM 835 CB ALA A 61 14.121 -8.447 9.793 1.00 0.00 C ATOM 0 H ALA A 61 11.784 -8.398 9.082 1.00 0.00 H new ATOM 0 HA ALA A 61 13.369 -6.486 10.406 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.155 -8.259 10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.607 -8.966 10.602 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.102 -9.065 8.895 1.00 0.00 H new ATOM 841 N LEU A 62 14.110 -6.399 7.185 1.00 0.00 N ATOM 842 CA LEU A 62 14.509 -5.363 6.181 1.00 0.00 C ATOM 843 C LEU A 62 13.794 -3.973 6.294 1.00 0.00 C ATOM 844 O LEU A 62 14.431 -2.963 6.013 1.00 0.00 O ATOM 845 CB LEU A 62 14.322 -5.899 4.737 1.00 0.00 C ATOM 846 CG LEU A 62 15.237 -7.058 4.267 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.715 -7.651 2.950 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.684 -6.572 4.060 1.00 0.00 C ATOM 0 H LEU A 62 13.740 -7.255 6.771 1.00 0.00 H new ATOM 0 HA LEU A 62 15.557 -5.176 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.288 -6.227 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.461 -5.064 4.050 1.00 0.00 H new ATOM 0 HG LEU A 62 15.227 -7.822 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.368 -8.464 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.705 -8.034 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.701 -6.877 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.304 -7.406 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.700 -5.787 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.074 -6.179 4.999 1.00 0.00 H new ATOM 860 N GLN A 63 12.512 -3.883 6.692 1.00 0.00 N ATOM 861 CA GLN A 63 11.844 -2.570 6.970 1.00 0.00 C ATOM 862 C GLN A 63 12.370 -1.773 8.214 1.00 0.00 C ATOM 863 O GLN A 63 12.354 -0.537 8.193 1.00 0.00 O ATOM 864 CB GLN A 63 10.306 -2.746 7.084 1.00 0.00 C ATOM 865 CG GLN A 63 9.577 -3.286 5.829 1.00 0.00 C ATOM 866 CD GLN A 63 8.064 -3.480 5.983 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.511 -3.639 7.070 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.352 -3.500 4.883 1.00 0.00 N ATOM 0 H GLN A 63 11.908 -4.693 6.832 1.00 0.00 H new ATOM 0 HA GLN A 63 12.110 -1.960 6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.101 -3.421 7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.870 -1.781 7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.756 -2.600 5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.023 -4.242 5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.806 -3.369 3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.344 -3.647 4.931 1.00 0.00 H new ATOM 877 N GLU A 64 12.826 -2.460 9.275 1.00 0.00 N ATOM 878 CA GLU A 64 13.637 -1.850 10.364 1.00 0.00 C ATOM 879 C GLU A 64 15.119 -1.571 9.927 1.00 0.00 C ATOM 880 O GLU A 64 15.597 -0.445 10.082 1.00 0.00 O ATOM 881 CB GLU A 64 13.542 -2.770 11.613 1.00 0.00 C ATOM 882 CG GLU A 64 12.135 -2.916 12.251 1.00 0.00 C ATOM 883 CD GLU A 64 12.093 -3.906 13.411 1.00 0.00 C ATOM 884 OE1 GLU A 64 11.996 -5.197 12.986 1.00 0.00 O ATOM 885 OE2 GLU A 64 12.140 -3.579 14.592 1.00 0.00 O ATOM 0 H GLU A 64 12.647 -3.455 9.410 1.00 0.00 H new ATOM 0 HA GLU A 64 13.234 -0.868 10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.897 -3.762 11.335 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.225 -2.388 12.372 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.802 -1.940 12.604 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.429 -3.236 11.485 1.00 0.00 H new ATOM 892 N PHE A 65 15.829 -2.563 9.346 1.00 0.00 N ATOM 893 CA PHE A 65 17.216 -2.399 8.822 1.00 0.00 C ATOM 894 C PHE A 65 17.396 -1.357 7.679 1.00 0.00 C ATOM 895 O PHE A 65 18.335 -0.570 7.757 1.00 0.00 O ATOM 896 CB PHE A 65 17.709 -3.811 8.426 1.00 0.00 C ATOM 897 CG PHE A 65 19.157 -3.953 7.928 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.230 -3.883 8.823 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.397 -4.315 6.598 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.513 -4.221 8.407 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.679 -4.671 6.194 1.00 0.00 C ATOM 902 CZ PHE A 65 21.729 -4.660 7.106 1.00 0.00 C ATOM 0 H PHE A 65 15.461 -3.506 9.224 1.00 0.00 H new ATOM 0 HA PHE A 65 17.828 -1.962 9.611 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.587 -4.463 9.291 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.048 -4.190 7.646 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.061 -3.565 9.841 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.586 -4.318 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.342 -4.142 9.095 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.860 -4.957 5.168 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.711 -4.992 6.804 1.00 0.00 H new ATOM 912 N LEU A 66 16.531 -1.286 6.652 1.00 0.00 N ATOM 913 CA LEU A 66 16.591 -0.171 5.655 1.00 0.00 C ATOM 914 C LEU A 66 16.233 1.276 6.150 1.00 0.00 C ATOM 915 O LEU A 66 16.439 2.223 5.392 1.00 0.00 O ATOM 916 CB LEU A 66 15.801 -0.585 4.381 1.00 0.00 C ATOM 917 CG LEU A 66 16.313 -1.830 3.601 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.457 -2.066 2.346 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.800 -1.717 3.225 1.00 0.00 C ATOM 0 H LEU A 66 15.791 -1.967 6.481 1.00 0.00 H new ATOM 0 HA LEU A 66 17.651 -0.048 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.766 -0.769 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.795 0.263 3.697 1.00 0.00 H new ATOM 0 HG LEU A 66 16.217 -2.687 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.828 -2.940 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.420 -2.233 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.515 -1.192 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.107 -2.611 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.950 -0.841 2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.398 -1.619 4.131 1.00 0.00 H new ATOM 931 N THR A 67 15.780 1.473 7.400 1.00 0.00 N ATOM 932 CA THR A 67 15.685 2.817 8.058 1.00 0.00 C ATOM 933 C THR A 67 16.737 3.065 9.188 1.00 0.00 C ATOM 934 O THR A 67 17.180 4.204 9.346 1.00 0.00 O ATOM 935 CB THR A 67 14.206 3.052 8.466 1.00 0.00 C ATOM 936 OG1 THR A 67 13.447 3.153 7.274 1.00 0.00 O ATOM 937 CG2 THR A 67 13.888 4.338 9.240 1.00 0.00 C ATOM 0 H THR A 67 15.464 0.709 7.998 1.00 0.00 H new ATOM 0 HA THR A 67 15.970 3.587 7.340 1.00 0.00 H new ATOM 0 HB THR A 67 13.975 2.217 9.127 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.164 4.082 7.144 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.821 4.375 9.461 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.452 4.350 10.172 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.164 5.203 8.637 1.00 0.00 H new ATOM 945 N ASN A 68 17.139 2.060 9.980 1.00 0.00 N ATOM 946 CA ASN A 68 18.260 2.169 10.950 1.00 0.00 C ATOM 947 C ASN A 68 19.183 0.900 10.781 1.00 0.00 C ATOM 948 O ASN A 68 19.079 -0.031 11.592 1.00 0.00 O ATOM 949 CB ASN A 68 17.660 2.392 12.370 1.00 0.00 C ATOM 950 CG ASN A 68 17.487 3.827 12.881 1.00 0.00 C ATOM 951 OD1 ASN A 68 18.007 4.200 13.926 1.00 0.00 O ATOM 952 ND2 ASN A 68 16.751 4.679 12.215 1.00 0.00 N ATOM 0 H ASN A 68 16.699 1.140 9.972 1.00 0.00 H new ATOM 0 HA ASN A 68 18.908 3.027 10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.681 1.913 12.394 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.292 1.862 13.082 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.622 5.627 12.569 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.306 4.395 11.342 1.00 0.00 H new ATOM 959 N PRO A 69 20.120 0.824 9.777 1.00 0.00 N ATOM 960 CA PRO A 69 21.028 -0.345 9.578 1.00 0.00 C ATOM 961 C PRO A 69 21.907 -0.774 10.786 1.00 0.00 C ATOM 962 O PRO A 69 21.954 -1.954 11.142 1.00 0.00 O ATOM 963 CB PRO A 69 21.870 0.061 8.342 1.00 0.00 C ATOM 964 CG PRO A 69 21.038 1.094 7.586 1.00 0.00 C ATOM 965 CD PRO A 69 20.177 1.769 8.648 1.00 0.00 C ATOM 0 HA PRO A 69 20.437 -1.251 9.445 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.830 0.479 8.644 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.083 -0.804 7.714 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.676 1.817 7.078 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.422 0.620 6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.610 2.721 8.956 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.179 1.982 8.265 1.00 0.00 H new ATOM 973 N LYS A 70 22.540 0.217 11.433 1.00 0.00 N ATOM 974 CA LYS A 70 23.275 0.011 12.715 1.00 0.00 C ATOM 975 C LYS A 70 22.435 -0.002 14.049 1.00 0.00 C ATOM 976 O LYS A 70 23.023 -0.032 15.132 1.00 0.00 O ATOM 977 CB LYS A 70 24.495 0.971 12.740 1.00 0.00 C ATOM 978 CG LYS A 70 24.159 2.474 12.860 1.00 0.00 C ATOM 979 CD LYS A 70 25.381 3.410 12.970 1.00 0.00 C ATOM 980 CE LYS A 70 26.193 3.541 11.670 1.00 0.00 C ATOM 981 NZ LYS A 70 27.297 4.502 11.861 1.00 0.00 N ATOM 0 H LYS A 70 22.564 1.179 11.096 1.00 0.00 H new ATOM 0 HA LYS A 70 23.608 -1.027 12.711 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.137 0.693 13.576 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.074 0.818 11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.571 2.770 11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 70 23.528 2.621 13.737 1.00 0.00 H new ATOM 0 HD2 LYS A 70 25.040 4.400 13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.037 3.042 13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.592 2.569 11.381 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.546 3.874 10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.841 4.585 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 26.908 5.432 12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.921 4.167 12.622 1.00 0.00 H new ATOM 994 N ALA A 71 21.091 -0.040 13.999 1.00 0.00 N ATOM 995 CA ALA A 71 20.251 -0.514 15.135 1.00 0.00 C ATOM 996 C ALA A 71 19.930 -2.044 15.075 1.00 0.00 C ATOM 997 O ALA A 71 20.072 -2.731 16.089 1.00 0.00 O ATOM 998 CB ALA A 71 18.976 0.346 15.171 1.00 0.00 C ATOM 0 H ALA A 71 20.553 0.252 13.183 1.00 0.00 H new ATOM 0 HA ALA A 71 20.812 -0.394 16.062 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.341 0.021 15.995 1.00 0.00 H new ATOM 0 HB2 ALA A 71 19.247 1.392 15.313 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.436 0.235 14.231 1.00 0.00 H new ATOM 1004 N VAL A 72 19.515 -2.582 13.906 1.00 0.00 N ATOM 1005 CA VAL A 72 19.284 -4.047 13.713 1.00 0.00 C ATOM 1006 C VAL A 72 20.631 -4.860 13.659 1.00 0.00 C ATOM 1007 O VAL A 72 20.754 -5.858 14.373 1.00 0.00 O ATOM 1008 CB VAL A 72 18.332 -4.274 12.481 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.117 -5.760 12.121 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.918 -3.658 12.621 1.00 0.00 C ATOM 0 H VAL A 72 19.330 -2.026 13.071 1.00 0.00 H new ATOM 0 HA VAL A 72 18.771 -4.451 14.585 1.00 0.00 H new ATOM 0 HB VAL A 72 18.882 -3.757 11.694 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.450 -5.833 11.262 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.076 -6.217 11.876 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.674 -6.280 12.970 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.339 -3.868 11.722 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.416 -4.092 13.486 1.00 0.00 H new ATOM 0 HG23 VAL A 72 17.003 -2.579 12.754 1.00 0.00 H new ATOM 1020 N VAL A 73 21.624 -4.453 12.841 1.00 0.00 N ATOM 1021 CA VAL A 73 23.008 -5.020 12.907 1.00 0.00 C ATOM 1022 C VAL A 73 23.938 -3.897 13.472 1.00 0.00 C ATOM 1023 O VAL A 73 24.569 -3.158 12.709 1.00 0.00 O ATOM 1024 CB VAL A 73 23.491 -5.560 11.516 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.913 -6.165 11.558 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.585 -6.633 10.876 1.00 0.00 C ATOM 0 H VAL A 73 21.504 -3.736 12.125 1.00 0.00 H new ATOM 0 HA VAL A 73 23.033 -5.889 13.565 1.00 0.00 H new ATOM 0 HB VAL A 73 23.461 -4.656 10.908 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.187 -6.520 10.564 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.623 -5.403 11.880 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.933 -6.999 12.260 1.00 0.00 H new ATOM 0 HG21 VAL A 73 23.006 -6.940 9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.520 -7.497 11.538 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.588 -6.221 10.719 1.00 0.00 H new ATOM 1036 N LYS A 74 24.049 -3.776 14.807 1.00 0.00 N ATOM 1037 CA LYS A 74 24.891 -2.728 15.453 1.00 0.00 C ATOM 1038 C LYS A 74 26.416 -3.050 15.299 1.00 0.00 C ATOM 1039 O LYS A 74 26.949 -3.978 15.914 1.00 0.00 O ATOM 1040 CB LYS A 74 24.392 -2.590 16.915 1.00 0.00 C ATOM 1041 CG LYS A 74 24.991 -1.399 17.694 1.00 0.00 C ATOM 1042 CD LYS A 74 24.314 -1.211 19.065 1.00 0.00 C ATOM 1043 CE LYS A 74 24.935 -0.050 19.858 1.00 0.00 C ATOM 1044 NZ LYS A 74 24.265 0.089 21.165 1.00 0.00 N ATOM 0 H LYS A 74 23.569 -4.387 15.468 1.00 0.00 H new ATOM 0 HA LYS A 74 24.788 -1.758 14.966 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.307 -2.491 16.906 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.623 -3.510 17.451 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.060 -1.559 17.836 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.880 -0.488 17.106 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.250 -1.024 18.921 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.401 -2.132 19.642 1.00 0.00 H new ATOM 0 HE2 LYS A 74 26.000 -0.228 20.004 1.00 0.00 H new ATOM 0 HE3 LYS A 74 24.842 0.877 19.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.693 0.877 21.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.253 0.280 21.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 24.376 -0.791 21.707 1.00 0.00 H new ATOM 1057 N GLY A 75 27.078 -2.308 14.397 1.00 0.00 N ATOM 1058 CA GLY A 75 28.364 -2.740 13.778 1.00 0.00 C ATOM 1059 C GLY A 75 28.288 -3.390 12.368 1.00 0.00 C ATOM 1060 O GLY A 75 29.084 -4.282 12.058 1.00 0.00 O ATOM 0 H GLY A 75 26.750 -1.399 14.072 1.00 0.00 H new ATOM 0 HA2 GLY A 75 29.018 -1.870 13.715 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.842 -3.450 14.453 1.00 0.00 H new ATOM 1064 N THR A 76 27.399 -2.912 11.481 1.00 0.00 N ATOM 1065 CA THR A 76 27.432 -3.220 10.032 1.00 0.00 C ATOM 1066 C THR A 76 28.486 -2.331 9.302 1.00 0.00 C ATOM 1067 O THR A 76 28.573 -1.119 9.526 1.00 0.00 O ATOM 1068 CB THR A 76 25.987 -3.088 9.452 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.954 -3.594 8.125 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.334 -1.697 9.395 1.00 0.00 C ATOM 0 H THR A 76 26.630 -2.296 11.746 1.00 0.00 H new ATOM 0 HA THR A 76 27.756 -4.248 9.867 1.00 0.00 H new ATOM 0 HB THR A 76 25.407 -3.652 10.182 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.046 -3.511 7.766 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.335 -1.781 8.967 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.264 -1.286 10.402 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.940 -1.036 8.775 1.00 0.00 H new ATOM 1078 N LYS A 77 29.218 -2.914 8.341 1.00 0.00 N ATOM 1079 CA LYS A 77 29.963 -2.119 7.309 1.00 0.00 C ATOM 1080 C LYS A 77 29.084 -1.297 6.286 1.00 0.00 C ATOM 1081 O LYS A 77 29.641 -0.648 5.396 1.00 0.00 O ATOM 1082 CB LYS A 77 30.920 -3.105 6.575 1.00 0.00 C ATOM 1083 CG LYS A 77 32.145 -3.590 7.384 1.00 0.00 C ATOM 1084 CD LYS A 77 32.763 -4.879 6.797 1.00 0.00 C ATOM 1085 CE LYS A 77 33.925 -5.460 7.621 1.00 0.00 C ATOM 1086 NZ LYS A 77 35.157 -4.654 7.486 1.00 0.00 N ATOM 0 H LYS A 77 29.320 -3.924 8.243 1.00 0.00 H new ATOM 0 HA LYS A 77 30.501 -1.332 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.344 -3.978 6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.278 -2.623 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.900 -2.804 7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 77 31.847 -3.770 8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 77 31.982 -5.635 6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 77 33.118 -4.670 5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 77 33.636 -5.508 8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.123 -6.482 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.915 -5.080 8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.448 -4.629 6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 34.976 -3.685 7.818 1.00 0.00 H new ATOM 1099 N MET A 78 27.738 -1.287 6.409 1.00 0.00 N ATOM 1100 CA MET A 78 26.836 -0.539 5.501 1.00 0.00 C ATOM 1101 C MET A 78 26.749 0.956 5.935 1.00 0.00 C ATOM 1102 O MET A 78 26.018 1.309 6.868 1.00 0.00 O ATOM 1103 CB MET A 78 25.475 -1.293 5.438 1.00 0.00 C ATOM 1104 CG MET A 78 24.413 -0.604 4.555 1.00 0.00 C ATOM 1105 SD MET A 78 23.320 -1.756 3.618 1.00 0.00 S ATOM 1106 CE MET A 78 21.764 -0.872 4.030 1.00 0.00 C ATOM 0 H MET A 78 27.245 -1.798 7.141 1.00 0.00 H new ATOM 0 HA MET A 78 27.221 -0.503 4.482 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.647 -2.301 5.060 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.081 -1.394 6.449 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.792 0.030 5.187 1.00 0.00 H new ATOM 0 HG3 MET A 78 24.920 0.051 3.846 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.921 -1.385 3.567 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.630 -0.856 5.112 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.816 0.150 3.656 1.00 0.00 H new ATOM 1116 N ALA A 79 27.476 1.836 5.219 1.00 0.00 N ATOM 1117 CA ALA A 79 27.436 3.302 5.467 1.00 0.00 C ATOM 1118 C ALA A 79 26.178 3.993 4.839 1.00 0.00 C ATOM 1119 O ALA A 79 26.254 4.744 3.862 1.00 0.00 O ATOM 1120 CB ALA A 79 28.786 3.853 4.967 1.00 0.00 C ATOM 0 H ALA A 79 28.101 1.562 4.461 1.00 0.00 H new ATOM 0 HA ALA A 79 27.317 3.524 6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.819 4.931 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.599 3.382 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.897 3.636 3.905 1.00 0.00 H new ATOM 1126 N PHE A 80 25.007 3.711 5.433 1.00 0.00 N ATOM 1127 CA PHE A 80 23.692 4.160 4.917 1.00 0.00 C ATOM 1128 C PHE A 80 22.875 4.815 6.076 1.00 0.00 C ATOM 1129 O PHE A 80 22.666 4.218 7.137 1.00 0.00 O ATOM 1130 CB PHE A 80 22.998 2.940 4.250 1.00 0.00 C ATOM 1131 CG PHE A 80 21.659 3.249 3.564 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.608 4.082 2.440 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.471 2.722 4.080 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.386 4.393 1.850 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.253 3.031 3.488 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.211 3.872 2.381 1.00 0.00 C ATOM 0 H PHE A 80 24.940 3.162 6.290 1.00 0.00 H new ATOM 0 HA PHE A 80 23.787 4.932 4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.677 2.514 3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.832 2.176 5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.521 4.485 2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.501 2.072 4.942 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.351 5.036 0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.338 2.618 3.887 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.261 4.122 1.932 1.00 0.00 H new ATOM 1146 N ALA A 81 22.386 6.045 5.846 1.00 0.00 N ATOM 1147 CA ALA A 81 21.600 6.804 6.858 1.00 0.00 C ATOM 1148 C ALA A 81 20.107 6.389 7.078 1.00 0.00 C ATOM 1149 O ALA A 81 19.548 6.728 8.124 1.00 0.00 O ATOM 1150 CB ALA A 81 21.715 8.288 6.457 1.00 0.00 C ATOM 0 H ALA A 81 22.517 6.545 4.967 1.00 0.00 H new ATOM 0 HA ALA A 81 22.029 6.575 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.156 8.900 7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.763 8.587 6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.307 8.427 5.456 1.00 0.00 H new ATOM 1156 N GLY A 82 19.472 5.678 6.125 1.00 0.00 N ATOM 1157 CA GLY A 82 18.075 5.197 6.280 1.00 0.00 C ATOM 1158 C GLY A 82 17.022 5.779 5.311 1.00 0.00 C ATOM 1159 O GLY A 82 17.021 6.966 4.979 1.00 0.00 O ATOM 0 H GLY A 82 19.901 5.421 5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.076 4.113 6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.754 5.412 7.299 1.00 0.00 H new ATOM 1163 N LEU A 83 16.052 4.932 4.941 1.00 0.00 N ATOM 1164 CA LEU A 83 14.837 5.348 4.192 1.00 0.00 C ATOM 1165 C LEU A 83 13.719 5.953 5.118 1.00 0.00 C ATOM 1166 O LEU A 83 13.457 5.373 6.179 1.00 0.00 O ATOM 1167 CB LEU A 83 14.271 4.122 3.419 1.00 0.00 C ATOM 1168 CG LEU A 83 15.117 3.600 2.231 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.496 2.327 1.651 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.231 4.631 1.102 1.00 0.00 C ATOM 0 H LEU A 83 16.079 3.934 5.149 1.00 0.00 H new ATOM 0 HA LEU A 83 15.135 6.138 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.138 3.304 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.281 4.383 3.044 1.00 0.00 H new ATOM 0 HG LEU A 83 16.113 3.398 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.103 1.973 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.456 1.558 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.487 2.542 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.833 4.219 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.236 4.872 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.705 5.536 1.482 1.00 0.00 H new ATOM 1182 N PRO A 84 13.005 7.064 4.771 1.00 0.00 N ATOM 1183 CA PRO A 84 12.021 7.701 5.691 1.00 0.00 C ATOM 1184 C PRO A 84 10.602 7.044 5.740 1.00 0.00 C ATOM 1185 O PRO A 84 10.143 6.683 6.828 1.00 0.00 O ATOM 1186 CB PRO A 84 12.052 9.162 5.194 1.00 0.00 C ATOM 1187 CG PRO A 84 12.351 9.078 3.692 1.00 0.00 C ATOM 1188 CD PRO A 84 13.263 7.857 3.550 1.00 0.00 C ATOM 0 HA PRO A 84 12.283 7.586 6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.099 9.659 5.377 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.817 9.738 5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.436 8.960 3.111 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.841 9.983 3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.029 7.289 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.311 8.149 3.479 1.00 0.00 H new ATOM 1196 N LYS A 85 9.907 6.878 4.598 1.00 0.00 N ATOM 1197 CA LYS A 85 8.527 6.322 4.561 1.00 0.00 C ATOM 1198 C LYS A 85 8.523 4.766 4.647 1.00 0.00 C ATOM 1199 O LYS A 85 9.424 4.085 4.141 1.00 0.00 O ATOM 1200 CB LYS A 85 7.821 6.747 3.246 1.00 0.00 C ATOM 1201 CG LYS A 85 7.636 8.264 2.995 1.00 0.00 C ATOM 1202 CD LYS A 85 7.031 8.603 1.615 1.00 0.00 C ATOM 1203 CE LYS A 85 5.548 8.222 1.458 1.00 0.00 C ATOM 1204 NZ LYS A 85 5.064 8.606 0.118 1.00 0.00 N ATOM 0 H LYS A 85 10.276 7.121 3.679 1.00 0.00 H new ATOM 0 HA LYS A 85 7.997 6.718 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.387 6.334 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.836 6.280 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.993 8.675 3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.603 8.758 3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.139 9.673 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.608 8.092 0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.423 7.149 1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.954 8.720 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.062 8.344 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.167 9.633 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.621 8.111 -0.607 1.00 0.00 H new ATOM 1217 N ILE A 86 7.464 4.187 5.239 1.00 0.00 N ATOM 1218 CA ILE A 86 7.176 2.715 5.120 1.00 0.00 C ATOM 1219 C ILE A 86 6.992 2.226 3.631 1.00 0.00 C ATOM 1220 O ILE A 86 7.523 1.183 3.244 1.00 0.00 O ATOM 1221 CB ILE A 86 6.013 2.333 6.113 1.00 0.00 C ATOM 1222 CG1 ILE A 86 6.109 0.900 6.713 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.576 2.642 5.612 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.930 -0.296 5.764 1.00 0.00 C ATOM 0 H ILE A 86 6.787 4.698 5.805 1.00 0.00 H new ATOM 0 HA ILE A 86 8.055 2.150 5.431 1.00 0.00 H new ATOM 0 HB ILE A 86 6.195 3.027 6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.084 0.803 7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.359 0.817 7.499 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.854 2.341 6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.479 3.711 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.386 2.092 4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.023 -1.225 6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.944 -0.249 5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.696 -0.263 4.989 1.00 0.00 H new ATOM 1236 N GLU A 87 6.332 3.044 2.787 1.00 0.00 N ATOM 1237 CA GLU A 87 6.218 2.839 1.321 1.00 0.00 C ATOM 1238 C GLU A 87 7.566 2.808 0.532 1.00 0.00 C ATOM 1239 O GLU A 87 7.646 2.085 -0.460 1.00 0.00 O ATOM 1240 CB GLU A 87 5.291 3.940 0.722 1.00 0.00 C ATOM 1241 CG GLU A 87 3.832 4.049 1.249 1.00 0.00 C ATOM 1242 CD GLU A 87 3.602 4.772 2.584 1.00 0.00 C ATOM 1243 OE1 GLU A 87 4.486 5.311 3.247 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.289 4.734 2.955 1.00 0.00 O ATOM 0 H GLU A 87 5.852 3.885 3.108 1.00 0.00 H new ATOM 0 HA GLU A 87 5.800 1.840 1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.774 4.904 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.243 3.783 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.239 4.556 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.434 3.039 1.343 1.00 0.00 H new ATOM 1251 N ASP A 88 8.618 3.547 0.950 1.00 0.00 N ATOM 1252 CA ASP A 88 9.961 3.457 0.303 1.00 0.00 C ATOM 1253 C ASP A 88 10.611 2.038 0.421 1.00 0.00 C ATOM 1254 O ASP A 88 10.896 1.411 -0.601 1.00 0.00 O ATOM 1255 CB ASP A 88 10.902 4.564 0.864 1.00 0.00 C ATOM 1256 CG ASP A 88 10.587 6.037 0.598 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.287 6.294 -0.710 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.643 6.892 1.477 1.00 0.00 O ATOM 0 H ASP A 88 8.572 4.209 1.725 1.00 0.00 H new ATOM 0 HA ASP A 88 9.813 3.623 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.951 4.432 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.901 4.370 0.474 1.00 0.00 H new ATOM 1263 N ARG A 89 10.794 1.522 1.649 1.00 0.00 N ATOM 1264 CA ARG A 89 11.227 0.118 1.883 1.00 0.00 C ATOM 1265 C ARG A 89 10.222 -1.004 1.465 1.00 0.00 C ATOM 1266 O ARG A 89 10.680 -1.966 0.850 1.00 0.00 O ATOM 1267 CB ARG A 89 11.799 -0.042 3.314 1.00 0.00 C ATOM 1268 CG ARG A 89 10.909 0.410 4.501 1.00 0.00 C ATOM 1269 CD ARG A 89 11.480 1.612 5.286 1.00 0.00 C ATOM 1270 NE ARG A 89 11.049 1.497 6.711 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.602 2.473 7.493 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.307 3.667 7.068 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.479 2.220 8.763 1.00 0.00 N ATOM 0 H ARG A 89 10.649 2.055 2.506 1.00 0.00 H new ATOM 0 HA ARG A 89 12.033 -0.057 1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.045 -1.094 3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.735 0.515 3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.921 0.671 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.777 -0.429 5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.568 1.625 5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.123 2.548 4.857 1.00 0.00 H new ATOM 0 HE ARG A 89 11.104 0.568 7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.415 3.898 6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.968 4.372 7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.723 1.298 9.125 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.139 2.943 9.397 1.00 0.00 H new ATOM 1287 N ALA A 90 8.897 -0.910 1.707 1.00 0.00 N ATOM 1288 CA ALA A 90 7.901 -1.847 1.105 1.00 0.00 C ATOM 1289 C ALA A 90 7.898 -1.976 -0.458 1.00 0.00 C ATOM 1290 O ALA A 90 7.926 -3.096 -0.978 1.00 0.00 O ATOM 1291 CB ALA A 90 6.521 -1.472 1.676 1.00 0.00 C ATOM 0 H ALA A 90 8.485 -0.200 2.312 1.00 0.00 H new ATOM 0 HA ALA A 90 8.197 -2.856 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.763 -2.135 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.536 -1.574 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.286 -0.441 1.412 1.00 0.00 H new ATOM 1297 N ASN A 91 7.947 -0.852 -1.198 1.00 0.00 N ATOM 1298 CA ASN A 91 8.156 -0.856 -2.678 1.00 0.00 C ATOM 1299 C ASN A 91 9.545 -1.416 -3.144 1.00 0.00 C ATOM 1300 O ASN A 91 9.591 -2.225 -4.075 1.00 0.00 O ATOM 1301 CB ASN A 91 7.877 0.570 -3.236 1.00 0.00 C ATOM 1302 CG ASN A 91 6.408 1.028 -3.203 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.462 0.251 -3.197 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.146 2.309 -3.215 1.00 0.00 N ATOM 0 H ASN A 91 7.845 0.082 -0.801 1.00 0.00 H new ATOM 0 HA ASN A 91 7.442 -1.564 -3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.473 1.285 -2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.227 0.611 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.178 2.632 -3.219 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.909 2.986 -3.220 1.00 0.00 H new ATOM 1311 N LEU A 92 10.662 -1.038 -2.489 1.00 0.00 N ATOM 1312 CA LEU A 92 11.994 -1.686 -2.689 1.00 0.00 C ATOM 1313 C LEU A 92 12.061 -3.223 -2.351 1.00 0.00 C ATOM 1314 O LEU A 92 12.613 -3.996 -3.135 1.00 0.00 O ATOM 1315 CB LEU A 92 13.047 -0.854 -1.901 1.00 0.00 C ATOM 1316 CG LEU A 92 14.472 -0.758 -2.507 1.00 0.00 C ATOM 1317 CD1 LEU A 92 15.359 0.079 -1.579 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.171 -2.103 -2.739 1.00 0.00 C ATOM 0 H LEU A 92 10.676 -0.279 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 92 12.209 -1.676 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.660 0.158 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.133 -1.278 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 92 14.337 -0.302 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.362 0.150 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.937 1.079 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.410 -0.395 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.160 -1.931 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.271 -2.630 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.580 -2.706 -3.428 1.00 0.00 H new ATOM 1330 N ILE A 93 11.474 -3.684 -1.230 1.00 0.00 N ATOM 1331 CA ILE A 93 11.282 -5.140 -0.916 1.00 0.00 C ATOM 1332 C ILE A 93 10.431 -5.895 -2.005 1.00 0.00 C ATOM 1333 O ILE A 93 10.862 -6.958 -2.456 1.00 0.00 O ATOM 1334 CB ILE A 93 10.781 -5.276 0.573 1.00 0.00 C ATOM 1335 CG1 ILE A 93 11.873 -4.860 1.613 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.262 -6.687 0.950 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.349 -4.504 3.015 1.00 0.00 C ATOM 0 H ILE A 93 11.113 -3.065 -0.504 1.00 0.00 H new ATOM 0 HA ILE A 93 12.235 -5.667 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 93 9.939 -4.586 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.589 -5.676 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.418 -4.002 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.938 -6.689 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.421 -6.949 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.061 -7.416 0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.186 -4.230 3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.657 -3.665 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.832 -5.365 3.440 1.00 0.00 H new ATOM 1349 N ALA A 94 9.296 -5.339 -2.480 1.00 0.00 N ATOM 1350 CA ALA A 94 8.612 -5.828 -3.714 1.00 0.00 C ATOM 1351 C ALA A 94 9.466 -5.861 -5.032 1.00 0.00 C ATOM 1352 O ALA A 94 9.423 -6.866 -5.749 1.00 0.00 O ATOM 1353 CB ALA A 94 7.320 -5.007 -3.875 1.00 0.00 C ATOM 0 H ALA A 94 8.828 -4.551 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 94 8.407 -6.888 -3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.789 -5.335 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.685 -5.153 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.570 -3.950 -3.969 1.00 0.00 H new ATOM 1359 N TYR A 95 10.284 -4.824 -5.326 1.00 0.00 N ATOM 1360 CA TYR A 95 11.391 -4.915 -6.327 1.00 0.00 C ATOM 1361 C TYR A 95 12.397 -6.095 -6.087 1.00 0.00 C ATOM 1362 O TYR A 95 12.573 -6.900 -6.998 1.00 0.00 O ATOM 1363 CB TYR A 95 12.060 -3.513 -6.458 1.00 0.00 C ATOM 1364 CG TYR A 95 13.284 -3.433 -7.392 1.00 0.00 C ATOM 1365 CD1 TYR A 95 13.121 -3.256 -8.768 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.571 -3.632 -6.874 1.00 0.00 C ATOM 1367 CE1 TYR A 95 14.226 -3.304 -9.618 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.669 -3.687 -7.726 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.499 -3.518 -9.095 1.00 0.00 C ATOM 1370 OH TYR A 95 16.588 -3.574 -9.923 1.00 0.00 O ATOM 0 H TYR A 95 10.203 -3.907 -4.886 1.00 0.00 H new ATOM 0 HA TYR A 95 10.960 -5.187 -7.291 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.310 -2.806 -6.813 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.364 -3.183 -5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 95 12.136 -3.081 -9.175 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.711 -3.743 -5.809 1.00 0.00 H new ATOM 0 HE1 TYR A 95 14.094 -3.175 -10.682 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.656 -3.861 -7.323 1.00 0.00 H new ATOM 0 HH TYR A 95 17.396 -3.729 -9.391 1.00 0.00 H new ATOM 1380 N LEU A 96 13.025 -6.216 -4.905 1.00 0.00 N ATOM 1381 CA LEU A 96 13.940 -7.355 -4.574 1.00 0.00 C ATOM 1382 C LEU A 96 13.312 -8.795 -4.590 1.00 0.00 C ATOM 1383 O LEU A 96 14.023 -9.762 -4.870 1.00 0.00 O ATOM 1384 CB LEU A 96 14.609 -7.068 -3.198 1.00 0.00 C ATOM 1385 CG LEU A 96 15.567 -5.850 -3.098 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.855 -5.524 -1.622 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.886 -6.069 -3.862 1.00 0.00 C ATOM 0 H LEU A 96 12.923 -5.540 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 96 14.664 -7.390 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.816 -6.932 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.167 -7.957 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 96 15.063 -5.006 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.528 -4.668 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.921 -5.287 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.321 -6.385 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.517 -5.187 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.404 -6.936 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.671 -6.240 -4.917 1.00 0.00 H new ATOM 1399 N GLU A 97 12.004 -8.944 -4.314 1.00 0.00 N ATOM 1400 CA GLU A 97 11.236 -10.193 -4.599 1.00 0.00 C ATOM 1401 C GLU A 97 11.034 -10.507 -6.124 1.00 0.00 C ATOM 1402 O GLU A 97 11.290 -11.641 -6.540 1.00 0.00 O ATOM 1403 CB GLU A 97 9.875 -10.127 -3.848 1.00 0.00 C ATOM 1404 CG GLU A 97 9.964 -10.216 -2.305 1.00 0.00 C ATOM 1405 CD GLU A 97 8.635 -9.982 -1.595 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.238 -8.879 -1.231 1.00 0.00 O ATOM 1407 OE2 GLU A 97 7.939 -11.135 -1.403 1.00 0.00 O ATOM 0 H GLU A 97 11.440 -8.209 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 97 11.837 -11.026 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.378 -9.194 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.242 -10.939 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.344 -11.200 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.688 -9.483 -1.950 1.00 0.00 H new