USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 442 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 68 ASN : amide:sc= -0.352 K(o=-0.055,f=0.78) USER MOD Set 1.2: A 70 TYR OH : rot 80:sc= 0.297 USER MOD Set 2.1: A 52 THR OG1 : rot 12:sc= 0.958 USER MOD Set 2.2: A 64 THR OG1 : rot 97:sc= 0.183 USER MOD Set 3.1: A 50 THR OG1 : rot -1:sc= -0.03 USER MOD Set 3.2: A 62 THR OG1 : rot 86:sc= 0.0333 USER MOD Set 4.1: A 20 ASN : amide:sc= -1.31 K(o=-1.4,f=-0.79!) USER MOD Set 4.2: A 32 HIS : no HD1:sc= -0.0723 K(o=-1.4,f=-2.2) USER MOD Set 5.1: A 10 SER OG : rot 180:sc= -0.06 USER MOD Set 5.2: A 11 CYS SG : rot 24:sc= 0.0151 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -2.39! K(o=-2.4!,f=-1.3) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.06 K(o=-3.1,f=-6.7!) USER MOD Single : A 30 SER OG : rot -91:sc= -2.93! USER MOD Single : A 31 GLN : amide:sc=-0.00114 X(o=-0.0011,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.14!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 42 SER OG : rot -23:sc= -5.88! USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.719! USER MOD Single : A 46 ASN : amide:sc= -0.7 K(o=-0.7,f=-5.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -123:sc= 0.612 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0884 X(o=-0.088,f=-0.38) USER MOD Single : A 66 SER OG : rot 172:sc= 1.56 USER MOD Single : A 67 THR OG1 : rot -160:sc= -2.23! USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.159 (180deg=-0.694) USER MOD Single : A 73 THR OG1 : rot -16:sc= 0.818! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 85:sc= 1.27 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 8 -4.807 14.725 -7.708 1.00 0.00 N ATOM 81 CA CYS A 8 -4.480 15.331 -6.422 1.00 0.00 C ATOM 82 C CYS A 8 -2.974 15.504 -6.267 1.00 0.00 C ATOM 83 O CYS A 8 -2.435 15.383 -5.166 1.00 0.00 O ATOM 84 CB CYS A 8 -5.028 14.477 -5.279 1.00 0.00 C ATOM 85 SG CYS A 8 -6.729 14.901 -4.784 1.00 0.00 S ATOM 0 HA CYS A 8 -4.944 16.316 -6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.998 13.429 -5.576 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.372 14.582 -4.415 1.00 0.00 H new ATOM 90 N THR A 9 -2.299 15.789 -7.374 1.00 0.00 N ATOM 91 CA THR A 9 -0.854 15.980 -7.361 1.00 0.00 C ATOM 92 C THR A 9 -0.489 17.321 -6.729 1.00 0.00 C ATOM 93 O THR A 9 -0.211 18.293 -7.430 1.00 0.00 O ATOM 94 CB THR A 9 -0.298 15.905 -8.784 1.00 0.00 C ATOM 95 OG1 THR A 9 -0.666 14.686 -9.403 1.00 0.00 O ATOM 96 CG2 THR A 9 1.211 16.013 -8.844 1.00 0.00 C ATOM 0 H THR A 9 -2.730 15.893 -8.293 1.00 0.00 H new ATOM 0 HA THR A 9 -0.411 15.184 -6.762 1.00 0.00 H new ATOM 0 HB THR A 9 -0.728 16.759 -9.307 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.302 14.658 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.539 15.952 -9.882 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.525 16.967 -8.419 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.657 15.198 -8.274 1.00 0.00 H new ATOM 104 N SER A 10 -0.493 17.364 -5.400 1.00 0.00 N ATOM 105 CA SER A 10 -0.163 18.586 -4.676 1.00 0.00 C ATOM 106 C SER A 10 0.019 18.308 -3.187 1.00 0.00 C ATOM 107 O SER A 10 0.920 18.854 -2.550 1.00 0.00 O ATOM 108 CB SER A 10 -1.258 19.634 -4.879 1.00 0.00 C ATOM 109 OG SER A 10 -2.375 19.375 -4.046 1.00 0.00 O ATOM 0 H SER A 10 -0.721 16.568 -4.804 1.00 0.00 H new ATOM 0 HA SER A 10 0.778 18.969 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.861 20.626 -4.662 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.572 19.638 -5.923 1.00 0.00 H new ATOM 0 HG SER A 10 -3.060 20.060 -4.194 1.00 0.00 H new ATOM 115 N CYS A 11 -0.841 17.458 -2.636 1.00 0.00 N ATOM 116 CA CYS A 11 -0.774 17.112 -1.220 1.00 0.00 C ATOM 117 C CYS A 11 0.373 16.142 -0.950 1.00 0.00 C ATOM 118 O CYS A 11 1.225 15.918 -1.809 1.00 0.00 O ATOM 119 CB CYS A 11 -2.099 16.498 -0.761 1.00 0.00 C ATOM 120 SG CYS A 11 -3.567 17.485 -1.197 1.00 0.00 S ATOM 0 H CYS A 11 -1.593 16.996 -3.148 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.591 18.026 -0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.198 15.505 -1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.071 16.367 0.321 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.296 18.236 -2.223 1.00 0.00 H new ATOM 125 N THR A 12 0.389 15.569 0.251 1.00 0.00 N ATOM 126 CA THR A 12 1.432 14.626 0.633 1.00 0.00 C ATOM 127 C THR A 12 0.870 13.518 1.518 1.00 0.00 C ATOM 128 O THR A 12 1.228 12.349 1.368 1.00 0.00 O ATOM 129 CB THR A 12 2.562 15.352 1.365 1.00 0.00 C ATOM 130 OG1 THR A 12 2.042 16.205 2.369 1.00 0.00 O ATOM 131 CG2 THR A 12 3.423 16.195 0.449 1.00 0.00 C ATOM 0 H THR A 12 -0.309 15.742 0.975 1.00 0.00 H new ATOM 0 HA THR A 12 1.827 14.174 -0.277 1.00 0.00 H new ATOM 0 HB THR A 12 3.180 14.564 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.780 16.659 2.827 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.205 16.682 1.031 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.879 15.559 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.806 16.952 -0.035 1.00 0.00 H new ATOM 139 N GLY A 13 -0.008 13.892 2.443 1.00 0.00 N ATOM 140 CA GLY A 13 -0.602 12.921 3.342 1.00 0.00 C ATOM 141 C GLY A 13 -1.309 11.796 2.608 1.00 0.00 C ATOM 142 O GLY A 13 -0.664 10.907 2.053 1.00 0.00 O ATOM 0 H GLY A 13 -0.319 14.853 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.175 12.500 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.313 13.426 3.996 1.00 0.00 H new ATOM 146 N ALA A 14 -2.638 11.831 2.610 1.00 0.00 N ATOM 147 CA ALA A 14 -3.431 10.804 1.943 1.00 0.00 C ATOM 148 C ALA A 14 -4.344 11.413 0.884 1.00 0.00 C ATOM 149 O ALA A 14 -4.683 12.594 0.946 1.00 0.00 O ATOM 150 CB ALA A 14 -4.250 10.028 2.963 1.00 0.00 C ATOM 0 H ALA A 14 -3.188 12.559 3.066 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.746 10.120 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.837 9.265 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.581 9.552 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.919 10.710 3.488 1.00 0.00 H new ATOM 156 N CYS A 15 -4.739 10.598 -0.090 1.00 0.00 N ATOM 157 CA CYS A 15 -5.612 11.058 -1.164 1.00 0.00 C ATOM 158 C CYS A 15 -7.065 10.673 -0.896 1.00 0.00 C ATOM 159 O CYS A 15 -7.342 9.674 -0.231 1.00 0.00 O ATOM 160 CB CYS A 15 -5.166 10.474 -2.504 1.00 0.00 C ATOM 161 SG CYS A 15 -3.379 10.618 -2.830 1.00 0.00 S ATOM 0 H CYS A 15 -4.468 9.617 -0.157 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.542 12.145 -1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.446 9.421 -2.539 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.711 10.975 -3.304 1.00 0.00 H new ATOM 166 N THR A 16 -7.985 11.470 -1.429 1.00 0.00 N ATOM 167 CA THR A 16 -9.412 11.218 -1.263 1.00 0.00 C ATOM 168 C THR A 16 -10.156 11.510 -2.561 1.00 0.00 C ATOM 169 O THR A 16 -10.530 12.652 -2.830 1.00 0.00 O ATOM 170 CB THR A 16 -9.975 12.077 -0.129 1.00 0.00 C ATOM 171 OG1 THR A 16 -9.291 13.315 -0.050 1.00 0.00 O ATOM 172 CG2 THR A 16 -9.881 11.412 1.226 1.00 0.00 C ATOM 0 H THR A 16 -7.767 12.299 -1.982 1.00 0.00 H new ATOM 0 HA THR A 16 -9.551 10.167 -1.009 1.00 0.00 H new ATOM 0 HB THR A 16 -11.027 12.224 -0.372 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.667 13.850 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.297 12.074 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.442 10.477 1.212 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.836 11.205 1.458 1.00 0.00 H new ATOM 180 N GLY A 17 -10.358 10.474 -3.371 1.00 0.00 N ATOM 181 CA GLY A 17 -11.045 10.649 -4.637 1.00 0.00 C ATOM 182 C GLY A 17 -10.227 11.475 -5.611 1.00 0.00 C ATOM 183 O GLY A 17 -10.563 12.624 -5.898 1.00 0.00 O ATOM 0 H GLY A 17 -10.059 9.519 -3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.255 9.673 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.006 11.135 -4.465 1.00 0.00 H new ATOM 187 N CYS A 18 -9.146 10.886 -6.116 1.00 0.00 N ATOM 188 CA CYS A 18 -8.266 11.573 -7.059 1.00 0.00 C ATOM 189 C CYS A 18 -7.659 10.587 -8.053 1.00 0.00 C ATOM 190 O CYS A 18 -7.085 9.571 -7.661 1.00 0.00 O ATOM 191 CB CYS A 18 -7.150 12.310 -6.311 1.00 0.00 C ATOM 192 SG CYS A 18 -7.685 13.112 -4.763 1.00 0.00 S ATOM 0 H CYS A 18 -8.858 9.934 -5.888 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.864 12.299 -7.610 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.353 11.602 -6.083 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.725 13.067 -6.970 1.00 0.00 H new ATOM 197 N GLY A 19 -7.790 10.891 -9.339 1.00 0.00 N ATOM 198 CA GLY A 19 -7.253 10.019 -10.369 1.00 0.00 C ATOM 199 C GLY A 19 -5.793 9.664 -10.147 1.00 0.00 C ATOM 200 O GLY A 19 -5.338 8.601 -10.571 1.00 0.00 O ATOM 0 H GLY A 19 -8.259 11.727 -9.688 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.842 9.103 -10.404 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.359 10.504 -11.339 1.00 0.00 H new ATOM 204 N ASN A 20 -5.056 10.551 -9.484 1.00 0.00 N ATOM 205 CA ASN A 20 -3.640 10.313 -9.218 1.00 0.00 C ATOM 206 C ASN A 20 -3.205 10.958 -7.905 1.00 0.00 C ATOM 207 O ASN A 20 -3.957 11.718 -7.295 1.00 0.00 O ATOM 208 CB ASN A 20 -2.786 10.849 -10.367 1.00 0.00 C ATOM 209 CG ASN A 20 -3.278 10.379 -11.722 1.00 0.00 C ATOM 210 OD1 ASN A 20 -2.816 9.366 -12.246 1.00 0.00 O ATOM 211 ND2 ASN A 20 -4.221 11.117 -12.297 1.00 0.00 N ATOM 0 H ASN A 20 -5.413 11.436 -9.123 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.495 9.236 -9.133 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.789 11.939 -10.341 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.753 10.530 -10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.591 10.851 -13.210 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.575 11.950 -11.826 1.00 0.00 H new ATOM 218 N CYS A 21 -1.983 10.647 -7.480 1.00 0.00 N ATOM 219 CA CYS A 21 -1.441 11.193 -6.240 1.00 0.00 C ATOM 220 C CYS A 21 -0.011 11.693 -6.442 1.00 0.00 C ATOM 221 O CYS A 21 0.654 11.321 -7.408 1.00 0.00 O ATOM 222 CB CYS A 21 -1.469 10.133 -5.139 1.00 0.00 C ATOM 223 SG CYS A 21 -3.146 9.664 -4.607 1.00 0.00 S ATOM 0 H CYS A 21 -1.350 10.020 -7.976 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.063 12.037 -5.942 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.948 9.243 -5.492 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.916 10.505 -4.277 1.00 0.00 H new ATOM 228 N PRO A 22 0.478 12.549 -5.529 1.00 0.00 N ATOM 229 CA PRO A 22 1.826 13.101 -5.606 1.00 0.00 C ATOM 230 C PRO A 22 2.869 12.193 -4.962 1.00 0.00 C ATOM 231 O PRO A 22 3.907 11.901 -5.556 1.00 0.00 O ATOM 232 CB PRO A 22 1.702 14.407 -4.827 1.00 0.00 C ATOM 233 CG PRO A 22 0.630 14.159 -3.814 1.00 0.00 C ATOM 234 CD PRO A 22 -0.247 13.049 -4.346 1.00 0.00 C ATOM 0 HA PRO A 22 2.162 13.224 -6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.644 14.670 -4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.438 15.235 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.066 13.878 -2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.045 15.063 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.388 12.263 -3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.238 13.417 -4.613 1.00 0.00 H new ATOM 242 N ASN A 23 2.587 11.758 -3.740 1.00 0.00 N ATOM 243 CA ASN A 23 3.497 10.889 -3.002 1.00 0.00 C ATOM 244 C ASN A 23 2.879 10.483 -1.667 1.00 0.00 C ATOM 245 O ASN A 23 3.500 10.615 -0.612 1.00 0.00 O ATOM 246 CB ASN A 23 4.846 11.585 -2.772 1.00 0.00 C ATOM 247 CG ASN A 23 4.749 13.103 -2.787 1.00 0.00 C ATOM 248 OD1 ASN A 23 5.641 13.786 -3.292 1.00 0.00 O ATOM 249 ND2 ASN A 23 3.666 13.640 -2.235 1.00 0.00 N ATOM 0 H ASN A 23 1.732 11.994 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 23 3.669 9.992 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.255 11.263 -1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.548 11.265 -3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.551 14.653 -2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.950 13.039 -1.827 1.00 0.00 H new ATOM 256 N ALA A 24 1.644 9.994 -1.724 1.00 0.00 N ATOM 257 CA ALA A 24 0.927 9.571 -0.527 1.00 0.00 C ATOM 258 C ALA A 24 1.295 8.144 -0.134 1.00 0.00 C ATOM 259 O ALA A 24 1.434 7.271 -0.991 1.00 0.00 O ATOM 260 CB ALA A 24 -0.573 9.683 -0.753 1.00 0.00 C ATOM 0 H ALA A 24 1.118 9.881 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 24 1.218 10.229 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.101 9.365 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.831 10.718 -0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.864 9.046 -1.589 1.00 0.00 H new ATOM 266 N VAL A 25 1.444 7.910 1.166 1.00 0.00 N ATOM 267 CA VAL A 25 1.786 6.584 1.668 1.00 0.00 C ATOM 268 C VAL A 25 0.532 5.736 1.893 1.00 0.00 C ATOM 269 O VAL A 25 0.616 4.605 2.369 1.00 0.00 O ATOM 270 CB VAL A 25 2.597 6.665 2.983 1.00 0.00 C ATOM 271 CG1 VAL A 25 3.665 7.743 2.886 1.00 0.00 C ATOM 272 CG2 VAL A 25 1.685 6.919 4.177 1.00 0.00 C ATOM 0 H VAL A 25 1.333 8.620 1.890 1.00 0.00 H new ATOM 0 HA VAL A 25 2.404 6.109 0.906 1.00 0.00 H new ATOM 0 HB VAL A 25 3.088 5.704 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.225 7.785 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.344 7.510 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.192 8.708 2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.283 6.971 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.155 7.861 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.963 6.107 4.263 1.00 0.00 H new ATOM 282 N THR A 26 -0.627 6.294 1.550 1.00 0.00 N ATOM 283 CA THR A 26 -1.896 5.593 1.715 1.00 0.00 C ATOM 284 C THR A 26 -2.955 6.198 0.800 1.00 0.00 C ATOM 285 O THR A 26 -2.812 7.330 0.338 1.00 0.00 O ATOM 286 CB THR A 26 -2.360 5.663 3.170 1.00 0.00 C ATOM 287 OG1 THR A 26 -1.843 6.818 3.807 1.00 0.00 O ATOM 288 CG2 THR A 26 -1.944 4.461 3.990 1.00 0.00 C ATOM 0 H THR A 26 -0.712 7.231 1.156 1.00 0.00 H new ATOM 0 HA THR A 26 -1.751 4.547 1.445 1.00 0.00 H new ATOM 0 HB THR A 26 -3.449 5.692 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.153 6.845 4.736 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.305 4.575 5.012 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.370 3.558 3.553 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.857 4.383 3.996 1.00 0.00 H new ATOM 296 N CYS A 27 -4.015 5.443 0.538 1.00 0.00 N ATOM 297 CA CYS A 27 -5.084 5.924 -0.328 1.00 0.00 C ATOM 298 C CYS A 27 -6.428 5.308 0.037 1.00 0.00 C ATOM 299 O CYS A 27 -6.518 4.127 0.369 1.00 0.00 O ATOM 300 CB CYS A 27 -4.765 5.611 -1.790 1.00 0.00 C ATOM 301 SG CYS A 27 -3.740 6.866 -2.617 1.00 0.00 S ATOM 0 H CYS A 27 -4.157 4.504 0.909 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.152 7.003 -0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.253 4.650 -1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.700 5.503 -2.339 1.00 0.00 H new ATOM 306 N THR A 28 -7.472 6.121 -0.053 1.00 0.00 N ATOM 307 CA THR A 28 -8.826 5.675 0.235 1.00 0.00 C ATOM 308 C THR A 28 -9.706 5.918 -0.984 1.00 0.00 C ATOM 309 O THR A 28 -10.236 7.012 -1.168 1.00 0.00 O ATOM 310 CB THR A 28 -9.390 6.413 1.451 1.00 0.00 C ATOM 311 OG1 THR A 28 -8.419 6.501 2.478 1.00 0.00 O ATOM 312 CG2 THR A 28 -10.618 5.751 2.036 1.00 0.00 C ATOM 0 H THR A 28 -7.404 7.101 -0.326 1.00 0.00 H new ATOM 0 HA THR A 28 -8.809 4.609 0.464 1.00 0.00 H new ATOM 0 HB THR A 28 -9.669 7.401 1.086 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.798 6.977 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.967 6.325 2.895 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.404 5.712 1.282 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.369 4.738 2.353 1.00 0.00 H new ATOM 320 N ASN A 29 -9.829 4.897 -1.830 1.00 0.00 N ATOM 321 CA ASN A 29 -10.602 4.989 -3.048 1.00 0.00 C ATOM 322 C ASN A 29 -9.775 5.663 -4.135 1.00 0.00 C ATOM 323 O ASN A 29 -8.652 6.107 -3.894 1.00 0.00 O ATOM 324 CB ASN A 29 -11.935 5.728 -2.811 1.00 0.00 C ATOM 325 CG ASN A 29 -12.000 7.094 -3.477 1.00 0.00 C ATOM 326 OD1 ASN A 29 -11.554 8.094 -2.917 1.00 0.00 O ATOM 327 ND2 ASN A 29 -12.563 7.138 -4.680 1.00 0.00 N ATOM 0 H ASN A 29 -9.392 3.987 -1.683 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.853 3.981 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.754 5.112 -3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.089 5.848 -1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.638 8.026 -5.176 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.920 6.284 -5.108 1.00 0.00 H new ATOM 334 N SER A 30 -10.338 5.708 -5.327 1.00 0.00 N ATOM 335 CA SER A 30 -9.680 6.301 -6.498 1.00 0.00 C ATOM 336 C SER A 30 -8.724 5.309 -7.161 1.00 0.00 C ATOM 337 O SER A 30 -8.830 4.103 -6.954 1.00 0.00 O ATOM 338 CB SER A 30 -8.919 7.569 -6.108 1.00 0.00 C ATOM 339 OG SER A 30 -9.229 8.625 -6.996 1.00 0.00 O ATOM 0 H SER A 30 -11.268 5.336 -5.522 1.00 0.00 H new ATOM 0 HA SER A 30 -10.460 6.560 -7.214 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.177 7.856 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.846 7.376 -6.123 1.00 0.00 H new ATOM 0 HG SER A 30 -8.586 8.630 -7.735 1.00 0.00 H new ATOM 345 N GLN A 31 -7.805 5.815 -7.982 1.00 0.00 N ATOM 346 CA GLN A 31 -6.857 4.950 -8.681 1.00 0.00 C ATOM 347 C GLN A 31 -5.463 5.571 -8.738 1.00 0.00 C ATOM 348 O GLN A 31 -5.259 6.712 -8.322 1.00 0.00 O ATOM 349 CB GLN A 31 -7.347 4.645 -10.105 1.00 0.00 C ATOM 350 CG GLN A 31 -8.736 5.183 -10.413 1.00 0.00 C ATOM 351 CD GLN A 31 -9.375 4.496 -11.604 1.00 0.00 C ATOM 352 OE1 GLN A 31 -8.812 4.473 -12.698 1.00 0.00 O ATOM 353 NE2 GLN A 31 -10.560 3.931 -11.396 1.00 0.00 N ATOM 0 H GLN A 31 -7.697 6.810 -8.178 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.793 4.020 -8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.639 5.066 -10.819 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.346 3.565 -10.254 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.374 5.054 -9.538 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.672 6.254 -10.607 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.990 3.974 -10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.039 3.454 -12.160 1.00 0.00 H new ATOM 362 N HIS A 32 -4.515 4.809 -9.276 1.00 0.00 N ATOM 363 CA HIS A 32 -3.136 5.267 -9.419 1.00 0.00 C ATOM 364 C HIS A 32 -2.451 5.452 -8.067 1.00 0.00 C ATOM 365 O HIS A 32 -1.665 6.381 -7.886 1.00 0.00 O ATOM 366 CB HIS A 32 -3.093 6.577 -10.208 1.00 0.00 C ATOM 367 CG HIS A 32 -1.993 6.629 -11.221 1.00 0.00 C ATOM 368 ND1 HIS A 32 -0.918 7.487 -11.123 1.00 0.00 N ATOM 369 CD2 HIS A 32 -1.802 5.920 -12.360 1.00 0.00 C ATOM 370 CE1 HIS A 32 -0.115 7.305 -12.156 1.00 0.00 C ATOM 371 NE2 HIS A 32 -0.628 6.360 -12.921 1.00 0.00 N ATOM 0 H HIS A 32 -4.679 3.864 -9.623 1.00 0.00 H new ATOM 0 HA HIS A 32 -2.592 4.495 -9.963 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.048 6.719 -10.713 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.974 7.407 -9.512 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.452 5.152 -12.753 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.805 7.839 -12.343 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.219 6.013 -13.788 1.00 0.00 H new ATOM 380 N CYS A 33 -2.743 4.564 -7.122 1.00 0.00 N ATOM 381 CA CYS A 33 -2.138 4.643 -5.797 1.00 0.00 C ATOM 382 C CYS A 33 -1.251 3.428 -5.534 1.00 0.00 C ATOM 383 O CYS A 33 -1.371 2.765 -4.504 1.00 0.00 O ATOM 384 CB CYS A 33 -3.223 4.752 -4.727 1.00 0.00 C ATOM 385 SG CYS A 33 -3.949 6.418 -4.584 1.00 0.00 S ATOM 0 H CYS A 33 -3.391 3.786 -7.248 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.514 5.536 -5.756 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.016 4.038 -4.952 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.801 4.466 -3.764 1.00 0.00 H new ATOM 390 N VAL A 34 -0.360 3.141 -6.483 1.00 0.00 N ATOM 391 CA VAL A 34 0.550 2.003 -6.370 1.00 0.00 C ATOM 392 C VAL A 34 1.443 2.113 -5.138 1.00 0.00 C ATOM 393 O VAL A 34 2.021 1.121 -4.696 1.00 0.00 O ATOM 394 CB VAL A 34 1.448 1.874 -7.615 1.00 0.00 C ATOM 395 CG1 VAL A 34 0.679 1.250 -8.769 1.00 0.00 C ATOM 396 CG2 VAL A 34 2.019 3.229 -8.012 1.00 0.00 C ATOM 0 H VAL A 34 -0.250 3.683 -7.340 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.080 1.118 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 34 2.282 1.216 -7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.331 1.168 -9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.332 0.258 -8.481 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.178 1.877 -9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.650 3.114 -8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.203 3.916 -8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.613 3.628 -7.190 1.00 0.00 H new ATOM 406 N LYS A 35 1.564 3.318 -4.593 1.00 0.00 N ATOM 407 CA LYS A 35 2.399 3.539 -3.423 1.00 0.00 C ATOM 408 C LYS A 35 1.551 3.778 -2.177 1.00 0.00 C ATOM 409 O LYS A 35 1.879 4.617 -1.339 1.00 0.00 O ATOM 410 CB LYS A 35 3.328 4.730 -3.663 1.00 0.00 C ATOM 411 CG LYS A 35 4.411 4.888 -2.610 1.00 0.00 C ATOM 412 CD LYS A 35 4.955 6.306 -2.589 1.00 0.00 C ATOM 413 CE LYS A 35 6.407 6.355 -3.036 1.00 0.00 C ATOM 414 NZ LYS A 35 6.906 7.753 -3.150 1.00 0.00 N ATOM 0 H LYS A 35 1.095 4.154 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 35 2.997 2.643 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.798 4.620 -4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.732 5.642 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.008 4.636 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.222 4.188 -2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.352 6.938 -3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.870 6.714 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.024 5.806 -2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.508 5.854 -3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.900 7.743 -3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.333 8.270 -3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.834 8.224 -2.225 1.00 0.00 H new ATOM 428 N ALA A 36 0.457 3.034 -2.061 1.00 0.00 N ATOM 429 CA ALA A 36 -0.433 3.163 -0.915 1.00 0.00 C ATOM 430 C ALA A 36 -0.232 2.011 0.063 1.00 0.00 C ATOM 431 O ALA A 36 -0.292 0.843 -0.322 1.00 0.00 O ATOM 432 CB ALA A 36 -1.881 3.221 -1.375 1.00 0.00 C ATOM 0 H ALA A 36 0.166 2.336 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.191 4.092 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.535 3.317 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.020 4.080 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.128 2.307 -1.916 1.00 0.00 H new ATOM 438 N ASN A 37 0.008 2.342 1.328 1.00 0.00 N ATOM 439 CA ASN A 37 0.217 1.325 2.354 1.00 0.00 C ATOM 440 C ASN A 37 -1.034 0.473 2.537 1.00 0.00 C ATOM 441 O ASN A 37 -0.947 -0.715 2.852 1.00 0.00 O ATOM 442 CB ASN A 37 0.604 1.978 3.682 1.00 0.00 C ATOM 443 CG ASN A 37 1.285 1.007 4.626 1.00 0.00 C ATOM 444 OD1 ASN A 37 0.781 -0.088 4.879 1.00 0.00 O ATOM 445 ND2 ASN A 37 2.438 1.403 5.153 1.00 0.00 N ATOM 0 H ASN A 37 0.063 3.303 1.667 1.00 0.00 H new ATOM 0 HA ASN A 37 1.031 0.678 2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.269 2.820 3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.289 2.380 4.160 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.942 0.791 5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.819 2.319 4.916 1.00 0.00 H new ATOM 452 N THR A 38 -2.195 1.085 2.337 1.00 0.00 N ATOM 453 CA THR A 38 -3.466 0.383 2.478 1.00 0.00 C ATOM 454 C THR A 38 -4.510 0.963 1.529 1.00 0.00 C ATOM 455 O THR A 38 -4.797 2.160 1.566 1.00 0.00 O ATOM 456 CB THR A 38 -3.964 0.473 3.921 1.00 0.00 C ATOM 457 OG1 THR A 38 -2.881 0.646 4.817 1.00 0.00 O ATOM 458 CG2 THR A 38 -4.736 -0.752 4.365 1.00 0.00 C ATOM 0 H THR A 38 -2.283 2.067 2.076 1.00 0.00 H new ATOM 0 HA THR A 38 -3.308 -0.665 2.222 1.00 0.00 H new ATOM 0 HB THR A 38 -4.634 1.333 3.942 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.221 0.703 5.734 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.060 -0.623 5.398 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.608 -0.884 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.096 -1.631 4.293 1.00 0.00 H new ATOM 466 N CYS A 39 -5.076 0.111 0.681 1.00 0.00 N ATOM 467 CA CYS A 39 -6.086 0.548 -0.276 1.00 0.00 C ATOM 468 C CYS A 39 -7.484 0.133 0.174 1.00 0.00 C ATOM 469 O CYS A 39 -7.650 -0.829 0.924 1.00 0.00 O ATOM 470 CB CYS A 39 -5.810 -0.027 -1.670 1.00 0.00 C ATOM 471 SG CYS A 39 -4.044 -0.274 -2.064 1.00 0.00 S ATOM 0 H CYS A 39 -4.853 -0.883 0.637 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.036 1.636 -0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.325 -0.983 -1.761 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.244 0.640 -2.415 1.00 0.00 H new ATOM 476 N THR A 40 -8.485 0.865 -0.302 1.00 0.00 N ATOM 477 CA THR A 40 -9.878 0.583 0.029 1.00 0.00 C ATOM 478 C THR A 40 -10.779 1.032 -1.114 1.00 0.00 C ATOM 479 O THR A 40 -11.266 2.162 -1.127 1.00 0.00 O ATOM 480 CB THR A 40 -10.274 1.297 1.323 1.00 0.00 C ATOM 481 OG1 THR A 40 -9.132 1.576 2.113 1.00 0.00 O ATOM 482 CG2 THR A 40 -11.237 0.499 2.176 1.00 0.00 C ATOM 0 H THR A 40 -8.357 1.664 -0.923 1.00 0.00 H new ATOM 0 HA THR A 40 -9.995 -0.491 0.177 1.00 0.00 H new ATOM 0 HB THR A 40 -10.768 2.215 1.006 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.407 2.034 2.935 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.477 1.062 3.078 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.151 0.310 1.613 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.778 -0.450 2.452 1.00 0.00 H new ATOM 490 N GLY A 41 -10.974 0.149 -2.089 1.00 0.00 N ATOM 491 CA GLY A 41 -11.790 0.489 -3.238 1.00 0.00 C ATOM 492 C GLY A 41 -11.033 1.375 -4.187 1.00 0.00 C ATOM 493 O GLY A 41 -11.477 2.475 -4.509 1.00 0.00 O ATOM 0 H GLY A 41 -10.582 -0.793 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.100 -0.421 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.698 0.994 -2.908 1.00 0.00 H new ATOM 497 N SER A 42 -9.885 0.899 -4.636 1.00 0.00 N ATOM 498 CA SER A 42 -9.062 1.660 -5.542 1.00 0.00 C ATOM 499 C SER A 42 -8.448 0.704 -6.535 1.00 0.00 C ATOM 500 O SER A 42 -8.963 -0.388 -6.719 1.00 0.00 O ATOM 501 CB SER A 42 -7.969 2.402 -4.755 1.00 0.00 C ATOM 502 OG SER A 42 -8.139 3.803 -4.820 1.00 0.00 O ATOM 0 H SER A 42 -9.506 -0.014 -4.384 1.00 0.00 H new ATOM 0 HA SER A 42 -9.660 2.403 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.989 2.081 -3.714 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.990 2.135 -5.152 1.00 0.00 H new ATOM 0 HG SER A 42 -8.660 4.033 -5.617 1.00 0.00 H new ATOM 508 N THR A 43 -7.348 1.086 -7.152 1.00 0.00 N ATOM 509 CA THR A 43 -6.683 0.206 -8.091 1.00 0.00 C ATOM 510 C THR A 43 -5.171 0.329 -7.914 1.00 0.00 C ATOM 511 O THR A 43 -4.709 0.452 -6.783 1.00 0.00 O ATOM 512 CB THR A 43 -7.141 0.515 -9.520 1.00 0.00 C ATOM 513 OG1 THR A 43 -6.284 1.453 -10.147 1.00 0.00 O ATOM 514 CG2 THR A 43 -8.555 1.064 -9.590 1.00 0.00 C ATOM 0 H THR A 43 -6.899 1.992 -7.022 1.00 0.00 H new ATOM 0 HA THR A 43 -6.953 -0.831 -7.894 1.00 0.00 H new ATOM 0 HB THR A 43 -7.109 -0.444 -10.038 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.601 1.628 -11.058 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.818 1.262 -10.629 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.249 0.335 -9.173 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.614 1.990 -9.018 1.00 0.00 H new ATOM 522 N ASP A 44 -4.401 0.310 -9.006 1.00 0.00 N ATOM 523 CA ASP A 44 -2.937 0.433 -8.927 1.00 0.00 C ATOM 524 C ASP A 44 -2.431 0.308 -7.486 1.00 0.00 C ATOM 525 O ASP A 44 -2.146 1.311 -6.839 1.00 0.00 O ATOM 526 CB ASP A 44 -2.494 1.776 -9.514 1.00 0.00 C ATOM 527 CG ASP A 44 -2.111 1.669 -10.977 1.00 0.00 C ATOM 528 OD1 ASP A 44 -3.024 1.558 -11.822 1.00 0.00 O ATOM 529 OD2 ASP A 44 -0.899 1.697 -11.277 1.00 0.00 O ATOM 0 H ASP A 44 -4.763 0.211 -9.954 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.506 -0.384 -9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.300 2.501 -9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.645 2.155 -8.946 1.00 0.00 H new ATOM 534 N CYS A 45 -2.342 -0.923 -6.980 1.00 0.00 N ATOM 535 CA CYS A 45 -1.888 -1.150 -5.609 1.00 0.00 C ATOM 536 C CYS A 45 -0.884 -2.298 -5.545 1.00 0.00 C ATOM 537 O CYS A 45 -1.246 -3.434 -5.235 1.00 0.00 O ATOM 538 CB CYS A 45 -3.086 -1.462 -4.709 1.00 0.00 C ATOM 539 SG CYS A 45 -3.947 0.016 -4.072 1.00 0.00 S ATOM 0 H CYS A 45 -2.577 -1.772 -7.495 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.395 -0.243 -5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.797 -2.071 -5.267 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.746 -2.063 -3.865 1.00 0.00 H new ATOM 544 N ASN A 46 0.377 -1.994 -5.837 1.00 0.00 N ATOM 545 CA ASN A 46 1.431 -3.004 -5.814 1.00 0.00 C ATOM 546 C ASN A 46 2.169 -3.012 -4.475 1.00 0.00 C ATOM 547 O ASN A 46 2.521 -4.075 -3.964 1.00 0.00 O ATOM 548 CB ASN A 46 2.418 -2.768 -6.965 1.00 0.00 C ATOM 549 CG ASN A 46 3.599 -3.720 -6.926 1.00 0.00 C ATOM 550 OD1 ASN A 46 3.429 -4.939 -6.906 1.00 0.00 O ATOM 551 ND2 ASN A 46 4.807 -3.166 -6.918 1.00 0.00 N ATOM 0 H ASN A 46 0.694 -1.059 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 46 0.962 -3.980 -5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.896 -2.881 -7.915 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.782 -1.741 -6.922 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.639 -3.756 -6.895 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.903 -2.151 -6.935 1.00 0.00 H new ATOM 558 N THR A 47 2.412 -1.829 -3.910 1.00 0.00 N ATOM 559 CA THR A 47 3.119 -1.730 -2.636 1.00 0.00 C ATOM 560 C THR A 47 2.215 -2.116 -1.465 1.00 0.00 C ATOM 561 O THR A 47 2.666 -2.726 -0.496 1.00 0.00 O ATOM 562 CB THR A 47 3.671 -0.311 -2.439 1.00 0.00 C ATOM 563 OG1 THR A 47 4.810 -0.332 -1.597 1.00 0.00 O ATOM 564 CG2 THR A 47 2.676 0.660 -1.834 1.00 0.00 C ATOM 0 H THR A 47 2.132 -0.934 -4.311 1.00 0.00 H new ATOM 0 HA THR A 47 3.952 -2.433 -2.661 1.00 0.00 H new ATOM 0 HB THR A 47 3.917 0.036 -3.443 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.150 0.580 -1.483 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.142 1.639 -1.727 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.805 0.742 -2.485 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.364 0.298 -0.854 1.00 0.00 H new ATOM 572 N ALA A 48 0.942 -1.747 -1.558 1.00 0.00 N ATOM 573 CA ALA A 48 -0.023 -2.044 -0.504 1.00 0.00 C ATOM 574 C ALA A 48 -0.060 -3.533 -0.175 1.00 0.00 C ATOM 575 O ALA A 48 0.341 -4.370 -0.984 1.00 0.00 O ATOM 576 CB ALA A 48 -1.409 -1.566 -0.909 1.00 0.00 C ATOM 0 H ALA A 48 0.553 -1.241 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 48 0.295 -1.512 0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.119 -1.794 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.387 -0.490 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.715 -2.072 -1.825 1.00 0.00 H new ATOM 582 N GLN A 49 -0.550 -3.853 1.019 1.00 0.00 N ATOM 583 CA GLN A 49 -0.651 -5.239 1.461 1.00 0.00 C ATOM 584 C GLN A 49 -2.076 -5.766 1.294 1.00 0.00 C ATOM 585 O GLN A 49 -2.397 -6.863 1.749 1.00 0.00 O ATOM 586 CB GLN A 49 -0.216 -5.362 2.923 1.00 0.00 C ATOM 587 CG GLN A 49 -1.098 -4.586 3.888 1.00 0.00 C ATOM 588 CD GLN A 49 -0.833 -4.948 5.337 1.00 0.00 C ATOM 589 OE1 GLN A 49 0.288 -5.296 5.707 1.00 0.00 O ATOM 590 NE2 GLN A 49 -1.868 -4.867 6.165 1.00 0.00 N ATOM 0 H GLN A 49 -0.884 -3.169 1.699 1.00 0.00 H new ATOM 0 HA GLN A 49 0.012 -5.841 0.839 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.219 -6.414 3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.811 -5.009 3.019 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.932 -3.518 3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.145 -4.780 3.654 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.780 -4.574 5.814 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.751 -5.098 7.152 1.00 0.00 H new ATOM 599 N THR A 50 -2.926 -4.978 0.638 1.00 0.00 N ATOM 600 CA THR A 50 -4.311 -5.366 0.408 1.00 0.00 C ATOM 601 C THR A 50 -5.032 -4.309 -0.426 1.00 0.00 C ATOM 602 O THR A 50 -4.583 -3.165 -0.513 1.00 0.00 O ATOM 603 CB THR A 50 -5.030 -5.577 1.742 1.00 0.00 C ATOM 604 OG1 THR A 50 -6.130 -6.455 1.586 1.00 0.00 O ATOM 605 CG2 THR A 50 -5.550 -4.295 2.355 1.00 0.00 C ATOM 0 H THR A 50 -2.676 -4.065 0.257 1.00 0.00 H new ATOM 0 HA THR A 50 -4.321 -6.305 -0.146 1.00 0.00 H new ATOM 0 HB THR A 50 -4.278 -5.999 2.409 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.201 -6.727 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.048 -4.519 3.298 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.718 -3.615 2.536 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.259 -3.827 1.672 1.00 0.00 H new ATOM 613 N CYS A 51 -6.149 -4.692 -1.033 1.00 0.00 N ATOM 614 CA CYS A 51 -6.922 -3.766 -1.854 1.00 0.00 C ATOM 615 C CYS A 51 -8.183 -4.426 -2.403 1.00 0.00 C ATOM 616 O CYS A 51 -8.112 -5.430 -3.110 1.00 0.00 O ATOM 617 CB CYS A 51 -6.074 -3.228 -3.013 1.00 0.00 C ATOM 618 SG CYS A 51 -4.827 -4.397 -3.649 1.00 0.00 S ATOM 0 H CYS A 51 -6.539 -5.633 -0.973 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.219 -2.936 -1.213 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.737 -2.945 -3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.568 -2.320 -2.684 1.00 0.00 H new ATOM 623 N THR A 52 -9.335 -3.845 -2.083 1.00 0.00 N ATOM 624 CA THR A 52 -10.610 -4.367 -2.560 1.00 0.00 C ATOM 625 C THR A 52 -11.107 -3.537 -3.742 1.00 0.00 C ATOM 626 O THR A 52 -10.909 -2.323 -3.782 1.00 0.00 O ATOM 627 CB THR A 52 -11.649 -4.374 -1.431 1.00 0.00 C ATOM 628 OG1 THR A 52 -12.721 -5.246 -1.744 1.00 0.00 O ATOM 629 CG2 THR A 52 -12.240 -3.009 -1.136 1.00 0.00 C ATOM 0 H THR A 52 -9.411 -3.014 -1.496 1.00 0.00 H new ATOM 0 HA THR A 52 -10.463 -5.395 -2.891 1.00 0.00 H new ATOM 0 HB THR A 52 -11.105 -4.709 -0.548 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.477 -5.801 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.966 -3.094 -0.327 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.445 -2.325 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.735 -2.626 -2.029 1.00 0.00 H new ATOM 637 N ASN A 53 -11.738 -4.195 -4.706 1.00 0.00 N ATOM 638 CA ASN A 53 -12.242 -3.507 -5.889 1.00 0.00 C ATOM 639 C ASN A 53 -11.094 -2.877 -6.677 1.00 0.00 C ATOM 640 O ASN A 53 -11.303 -1.960 -7.471 1.00 0.00 O ATOM 641 CB ASN A 53 -13.256 -2.432 -5.488 1.00 0.00 C ATOM 642 CG ASN A 53 -14.515 -2.483 -6.332 1.00 0.00 C ATOM 643 OD1 ASN A 53 -14.605 -1.833 -7.373 1.00 0.00 O ATOM 644 ND2 ASN A 53 -15.496 -3.259 -5.886 1.00 0.00 N ATOM 0 H ASN A 53 -11.913 -5.200 -4.693 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.738 -4.240 -6.525 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.520 -2.559 -4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.796 -1.448 -5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.367 -3.333 -6.412 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.379 -3.781 -5.017 1.00 0.00 H new ATOM 651 N SER A 54 -9.882 -3.377 -6.450 1.00 0.00 N ATOM 652 CA SER A 54 -8.699 -2.871 -7.135 1.00 0.00 C ATOM 653 C SER A 54 -8.392 -3.715 -8.369 1.00 0.00 C ATOM 654 O SER A 54 -9.023 -4.747 -8.595 1.00 0.00 O ATOM 655 CB SER A 54 -7.502 -2.871 -6.180 1.00 0.00 C ATOM 656 OG SER A 54 -6.281 -3.068 -6.875 1.00 0.00 O ATOM 0 H SER A 54 -9.695 -4.135 -5.794 1.00 0.00 H new ATOM 0 HA SER A 54 -8.894 -1.849 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.466 -1.925 -5.641 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.629 -3.657 -5.436 1.00 0.00 H new ATOM 0 HG SER A 54 -5.818 -3.849 -6.507 1.00 0.00 H new ATOM 662 N LYS A 55 -7.418 -3.281 -9.163 1.00 0.00 N ATOM 663 CA LYS A 55 -7.039 -4.015 -10.365 1.00 0.00 C ATOM 664 C LYS A 55 -5.523 -4.152 -10.473 1.00 0.00 C ATOM 665 O LYS A 55 -4.989 -4.409 -11.551 1.00 0.00 O ATOM 666 CB LYS A 55 -7.590 -3.322 -11.616 1.00 0.00 C ATOM 667 CG LYS A 55 -9.018 -2.821 -11.463 1.00 0.00 C ATOM 668 CD LYS A 55 -9.270 -1.593 -12.324 1.00 0.00 C ATOM 669 CE LYS A 55 -9.587 -1.975 -13.761 1.00 0.00 C ATOM 670 NZ LYS A 55 -9.473 -0.811 -14.683 1.00 0.00 N ATOM 0 H LYS A 55 -6.880 -2.430 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.470 -5.013 -10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.945 -2.480 -11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.547 -4.018 -12.454 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.715 -3.612 -11.742 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.211 -2.580 -10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.098 -1.019 -11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.393 -0.947 -12.303 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.907 -2.763 -14.085 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.596 -2.383 -13.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.697 -1.113 -15.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.139 -0.069 -14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.503 -0.437 -14.652 1.00 0.00 H new ATOM 684 N ASP A 56 -4.836 -3.985 -9.348 1.00 0.00 N ATOM 685 CA ASP A 56 -3.385 -4.096 -9.315 1.00 0.00 C ATOM 686 C ASP A 56 -2.913 -4.623 -7.968 1.00 0.00 C ATOM 687 O ASP A 56 -1.889 -4.195 -7.441 1.00 0.00 O ATOM 688 CB ASP A 56 -2.740 -2.748 -9.619 1.00 0.00 C ATOM 689 CG ASP A 56 -2.406 -2.584 -11.087 1.00 0.00 C ATOM 690 OD1 ASP A 56 -3.346 -2.544 -11.910 1.00 0.00 O ATOM 691 OD2 ASP A 56 -1.204 -2.494 -11.417 1.00 0.00 O ATOM 0 H ASP A 56 -5.263 -3.772 -8.446 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.080 -4.807 -10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.414 -1.949 -9.311 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.830 -2.643 -9.028 1.00 0.00 H new ATOM 696 N CYS A 57 -3.678 -5.555 -7.418 1.00 0.00 N ATOM 697 CA CYS A 57 -3.359 -6.158 -6.131 1.00 0.00 C ATOM 698 C CYS A 57 -2.276 -7.226 -6.285 1.00 0.00 C ATOM 699 O CYS A 57 -2.538 -8.417 -6.123 1.00 0.00 O ATOM 700 CB CYS A 57 -4.618 -6.777 -5.520 1.00 0.00 C ATOM 701 SG CYS A 57 -5.853 -5.559 -4.960 1.00 0.00 S ATOM 0 H CYS A 57 -4.531 -5.913 -7.847 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.982 -5.378 -5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.080 -7.434 -6.256 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.329 -7.400 -4.674 1.00 0.00 H new ATOM 706 N PHE A 58 -1.059 -6.793 -6.601 1.00 0.00 N ATOM 707 CA PHE A 58 0.059 -7.715 -6.781 1.00 0.00 C ATOM 708 C PHE A 58 0.459 -8.356 -5.456 1.00 0.00 C ATOM 709 O PHE A 58 0.835 -9.527 -5.411 1.00 0.00 O ATOM 710 CB PHE A 58 1.261 -6.989 -7.388 1.00 0.00 C ATOM 711 CG PHE A 58 1.106 -6.666 -8.821 1.00 0.00 C ATOM 712 CD1 PHE A 58 0.164 -5.747 -9.231 1.00 0.00 C ATOM 713 CD2 PHE A 58 1.920 -7.267 -9.758 1.00 0.00 C ATOM 714 CE1 PHE A 58 0.035 -5.431 -10.555 1.00 0.00 C ATOM 715 CE2 PHE A 58 1.793 -6.957 -11.085 1.00 0.00 C ATOM 716 CZ PHE A 58 0.851 -6.038 -11.478 1.00 0.00 C ATOM 0 H PHE A 58 -0.822 -5.811 -6.738 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.265 -8.501 -7.463 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.433 -6.066 -6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.149 -7.608 -7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.476 -5.273 -8.502 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.662 -7.986 -9.443 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.703 -4.709 -10.873 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.429 -7.432 -11.818 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.751 -5.790 -12.524 1.00 0.00 H new ATOM 726 N GLU A 59 0.374 -7.581 -4.380 1.00 0.00 N ATOM 727 CA GLU A 59 0.728 -8.073 -3.054 1.00 0.00 C ATOM 728 C GLU A 59 -0.371 -7.749 -2.047 1.00 0.00 C ATOM 729 O GLU A 59 -0.132 -7.074 -1.045 1.00 0.00 O ATOM 730 CB GLU A 59 2.054 -7.461 -2.596 1.00 0.00 C ATOM 731 CG GLU A 59 3.137 -7.485 -3.663 1.00 0.00 C ATOM 732 CD GLU A 59 4.430 -6.846 -3.193 1.00 0.00 C ATOM 733 OE1 GLU A 59 4.613 -6.710 -1.966 1.00 0.00 O ATOM 734 OE2 GLU A 59 5.259 -6.485 -4.054 1.00 0.00 O ATOM 0 H GLU A 59 0.063 -6.610 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 59 0.839 -9.156 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.881 -6.430 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.409 -8.000 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.331 -8.517 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.779 -6.963 -4.551 1.00 0.00 H new ATOM 741 N ALA A 60 -1.576 -8.231 -2.324 1.00 0.00 N ATOM 742 CA ALA A 60 -2.713 -7.989 -1.445 1.00 0.00 C ATOM 743 C ALA A 60 -3.067 -9.229 -0.636 1.00 0.00 C ATOM 744 O ALA A 60 -3.483 -10.245 -1.189 1.00 0.00 O ATOM 745 CB ALA A 60 -3.918 -7.542 -2.254 1.00 0.00 C ATOM 0 H ALA A 60 -1.791 -8.791 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.430 -7.199 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.760 -7.365 -1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.678 -6.622 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.182 -8.318 -2.972 1.00 0.00 H new ATOM 751 N ASN A 61 -2.907 -9.133 0.677 1.00 0.00 N ATOM 752 CA ASN A 61 -3.219 -10.244 1.567 1.00 0.00 C ATOM 753 C ASN A 61 -4.701 -10.597 1.481 1.00 0.00 C ATOM 754 O ASN A 61 -5.086 -11.752 1.660 1.00 0.00 O ATOM 755 CB ASN A 61 -2.847 -9.893 3.008 1.00 0.00 C ATOM 756 CG ASN A 61 -1.466 -10.394 3.385 1.00 0.00 C ATOM 757 OD1 ASN A 61 -1.120 -11.547 3.129 1.00 0.00 O ATOM 758 ND2 ASN A 61 -0.668 -9.527 4.000 1.00 0.00 N ATOM 0 H ASN A 61 -2.563 -8.297 1.150 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.635 -11.109 1.254 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.887 -8.811 3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.584 -10.323 3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.272 -9.808 4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.996 -8.580 4.193 1.00 0.00 H new ATOM 765 N THR A 62 -5.528 -9.593 1.200 1.00 0.00 N ATOM 766 CA THR A 62 -6.968 -9.795 1.084 1.00 0.00 C ATOM 767 C THR A 62 -7.473 -9.321 -0.275 1.00 0.00 C ATOM 768 O THR A 62 -7.683 -8.128 -0.488 1.00 0.00 O ATOM 769 CB THR A 62 -7.701 -9.051 2.202 1.00 0.00 C ATOM 770 OG1 THR A 62 -6.857 -8.881 3.328 1.00 0.00 O ATOM 771 CG2 THR A 62 -8.953 -9.759 2.672 1.00 0.00 C ATOM 0 H THR A 62 -5.224 -8.631 1.048 1.00 0.00 H new ATOM 0 HA THR A 62 -7.170 -10.862 1.176 1.00 0.00 H new ATOM 0 HB THR A 62 -7.985 -8.091 1.771 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.316 -8.072 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.424 -9.178 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.647 -9.863 1.838 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.692 -10.747 3.052 1.00 0.00 H new ATOM 779 N CYS A 63 -7.660 -10.264 -1.192 1.00 0.00 N ATOM 780 CA CYS A 63 -8.134 -9.944 -2.534 1.00 0.00 C ATOM 781 C CYS A 63 -9.642 -10.149 -2.643 1.00 0.00 C ATOM 782 O CYS A 63 -10.128 -11.279 -2.609 1.00 0.00 O ATOM 783 CB CYS A 63 -7.414 -10.811 -3.568 1.00 0.00 C ATOM 784 SG CYS A 63 -7.924 -10.495 -5.288 1.00 0.00 S ATOM 0 H CYS A 63 -7.491 -11.257 -1.031 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.914 -8.895 -2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.340 -10.644 -3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.593 -11.861 -3.334 1.00 0.00 H new ATOM 789 N THR A 64 -10.378 -9.050 -2.771 1.00 0.00 N ATOM 790 CA THR A 64 -11.830 -9.113 -2.882 1.00 0.00 C ATOM 791 C THR A 64 -12.338 -8.206 -4.001 1.00 0.00 C ATOM 792 O THR A 64 -12.138 -6.991 -3.970 1.00 0.00 O ATOM 793 CB THR A 64 -12.475 -8.717 -1.554 1.00 0.00 C ATOM 794 OG1 THR A 64 -11.581 -7.948 -0.770 1.00 0.00 O ATOM 795 CG2 THR A 64 -12.905 -9.907 -0.723 1.00 0.00 C ATOM 0 H THR A 64 -9.993 -8.106 -2.800 1.00 0.00 H new ATOM 0 HA THR A 64 -12.107 -10.139 -3.125 1.00 0.00 H new ATOM 0 HB THR A 64 -13.360 -8.140 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.775 -6.995 -0.892 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.355 -9.558 0.206 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.634 -10.496 -1.280 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.036 -10.525 -0.496 1.00 0.00 H new ATOM 803 N ASP A 65 -13.004 -8.806 -4.983 1.00 0.00 N ATOM 804 CA ASP A 65 -13.552 -8.059 -6.111 1.00 0.00 C ATOM 805 C ASP A 65 -12.465 -7.277 -6.844 1.00 0.00 C ATOM 806 O ASP A 65 -12.735 -6.239 -7.445 1.00 0.00 O ATOM 807 CB ASP A 65 -14.647 -7.104 -5.632 1.00 0.00 C ATOM 808 CG ASP A 65 -16.032 -7.710 -5.746 1.00 0.00 C ATOM 809 OD1 ASP A 65 -16.181 -8.914 -5.446 1.00 0.00 O ATOM 810 OD2 ASP A 65 -16.969 -6.982 -6.137 1.00 0.00 O ATOM 0 H ASP A 65 -13.178 -9.810 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.980 -8.779 -6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.458 -6.830 -4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.606 -6.185 -6.217 1.00 0.00 H new ATOM 815 N SER A 66 -11.237 -7.783 -6.794 1.00 0.00 N ATOM 816 CA SER A 66 -10.115 -7.129 -7.459 1.00 0.00 C ATOM 817 C SER A 66 -9.489 -8.053 -8.498 1.00 0.00 C ATOM 818 O SER A 66 -9.568 -9.273 -8.382 1.00 0.00 O ATOM 819 CB SER A 66 -9.063 -6.709 -6.431 1.00 0.00 C ATOM 820 OG SER A 66 -9.662 -6.047 -5.330 1.00 0.00 O ATOM 0 H SER A 66 -10.993 -8.642 -6.301 1.00 0.00 H new ATOM 0 HA SER A 66 -10.490 -6.241 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.521 -7.588 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.332 -6.051 -6.902 1.00 0.00 H new ATOM 0 HG SER A 66 -8.991 -5.902 -4.631 1.00 0.00 H new ATOM 826 N THR A 67 -8.875 -7.466 -9.521 1.00 0.00 N ATOM 827 CA THR A 67 -8.251 -8.230 -10.576 1.00 0.00 C ATOM 828 C THR A 67 -6.742 -8.319 -10.363 1.00 0.00 C ATOM 829 O THR A 67 -6.118 -7.371 -9.886 1.00 0.00 O ATOM 830 CB THR A 67 -8.547 -7.557 -11.909 1.00 0.00 C ATOM 831 OG1 THR A 67 -8.399 -6.155 -11.805 1.00 0.00 O ATOM 832 CG2 THR A 67 -9.940 -7.830 -12.432 1.00 0.00 C ATOM 0 H THR A 67 -8.801 -6.455 -9.634 1.00 0.00 H new ATOM 0 HA THR A 67 -8.653 -9.243 -10.570 1.00 0.00 H new ATOM 0 HB THR A 67 -7.828 -7.984 -12.607 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.882 -5.720 -12.538 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.078 -7.318 -13.384 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.072 -8.903 -12.574 1.00 0.00 H new ATOM 0 HG23 THR A 67 -10.676 -7.466 -11.715 1.00 0.00 H new ATOM 840 N ASN A 68 -6.159 -9.463 -10.722 1.00 0.00 N ATOM 841 CA ASN A 68 -4.719 -9.669 -10.573 1.00 0.00 C ATOM 842 C ASN A 68 -4.313 -9.726 -9.103 1.00 0.00 C ATOM 843 O ASN A 68 -4.000 -8.705 -8.491 1.00 0.00 O ATOM 844 CB ASN A 68 -3.934 -8.562 -11.289 1.00 0.00 C ATOM 845 CG ASN A 68 -4.216 -8.527 -12.779 1.00 0.00 C ATOM 846 OD1 ASN A 68 -3.484 -9.117 -13.573 1.00 0.00 O ATOM 847 ND2 ASN A 68 -5.281 -7.835 -13.165 1.00 0.00 N ATOM 0 H ASN A 68 -6.660 -10.259 -11.117 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.478 -10.628 -11.032 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.189 -7.597 -10.851 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.867 -8.714 -11.127 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.520 -7.777 -14.155 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.860 -7.361 -12.472 1.00 0.00 H new ATOM 854 N CYS A 69 -4.311 -10.934 -8.551 1.00 0.00 N ATOM 855 CA CYS A 69 -3.937 -11.149 -7.160 1.00 0.00 C ATOM 856 C CYS A 69 -3.028 -12.369 -7.039 1.00 0.00 C ATOM 857 O CYS A 69 -3.487 -13.473 -6.749 1.00 0.00 O ATOM 858 CB CYS A 69 -5.188 -11.332 -6.301 1.00 0.00 C ATOM 859 SG CYS A 69 -6.224 -9.838 -6.180 1.00 0.00 S ATOM 0 H CYS A 69 -4.567 -11.785 -9.051 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.393 -10.274 -6.804 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.786 -12.144 -6.715 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.887 -11.636 -5.298 1.00 0.00 H new ATOM 864 N TYR A 70 -1.737 -12.162 -7.283 1.00 0.00 N ATOM 865 CA TYR A 70 -0.759 -13.245 -7.222 1.00 0.00 C ATOM 866 C TYR A 70 -0.342 -13.556 -5.787 1.00 0.00 C ATOM 867 O TYR A 70 0.132 -14.654 -5.497 1.00 0.00 O ATOM 868 CB TYR A 70 0.476 -12.891 -8.056 1.00 0.00 C ATOM 869 CG TYR A 70 0.150 -12.194 -9.360 1.00 0.00 C ATOM 870 CD1 TYR A 70 -0.499 -12.868 -10.387 1.00 0.00 C ATOM 871 CD2 TYR A 70 0.491 -10.863 -9.562 1.00 0.00 C ATOM 872 CE1 TYR A 70 -0.799 -12.234 -11.579 1.00 0.00 C ATOM 873 CE2 TYR A 70 0.194 -10.222 -10.750 1.00 0.00 C ATOM 874 CZ TYR A 70 -0.451 -10.912 -11.755 1.00 0.00 C ATOM 875 OH TYR A 70 -0.748 -10.278 -12.939 1.00 0.00 O ATOM 0 H TYR A 70 -1.343 -11.253 -7.525 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.234 -14.136 -7.632 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.131 -12.250 -7.466 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.032 -13.803 -8.271 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.774 -13.904 -10.252 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.997 -10.320 -8.778 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.303 -12.772 -12.368 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.466 -9.186 -10.891 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.688 -10.000 -12.934 1.00 0.00 H new ATOM 885 N LYS A 71 -0.515 -12.590 -4.890 1.00 0.00 N ATOM 886 CA LYS A 71 -0.147 -12.779 -3.491 1.00 0.00 C ATOM 887 C LYS A 71 -1.339 -12.523 -2.573 1.00 0.00 C ATOM 888 O LYS A 71 -1.275 -11.695 -1.663 1.00 0.00 O ATOM 889 CB LYS A 71 1.023 -11.861 -3.119 1.00 0.00 C ATOM 890 CG LYS A 71 2.350 -12.591 -2.992 1.00 0.00 C ATOM 891 CD LYS A 71 2.945 -12.902 -4.356 1.00 0.00 C ATOM 892 CE LYS A 71 4.224 -13.716 -4.233 1.00 0.00 C ATOM 893 NZ LYS A 71 4.068 -14.859 -3.292 1.00 0.00 N ATOM 0 H LYS A 71 -0.906 -11.673 -5.105 1.00 0.00 H new ATOM 0 HA LYS A 71 0.165 -13.815 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.117 -11.081 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.799 -11.364 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.049 -11.982 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.205 -13.518 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.219 -13.452 -4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.154 -11.972 -4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.511 -14.091 -5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.033 -13.071 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.836 -15.543 -3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.107 -14.510 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.152 -15.323 -3.458 1.00 0.00 H new ATOM 907 N ALA A 72 -2.429 -13.243 -2.816 1.00 0.00 N ATOM 908 CA ALA A 72 -3.637 -13.100 -2.013 1.00 0.00 C ATOM 909 C ALA A 72 -4.063 -14.435 -1.415 1.00 0.00 C ATOM 910 O ALA A 72 -4.280 -15.409 -2.134 1.00 0.00 O ATOM 911 CB ALA A 72 -4.761 -12.511 -2.852 1.00 0.00 C ATOM 0 H ALA A 72 -2.500 -13.933 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.417 -12.420 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.657 -12.410 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.462 -11.531 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.970 -13.170 -3.695 1.00 0.00 H new ATOM 917 N THR A 73 -4.183 -14.471 -0.091 1.00 0.00 N ATOM 918 CA THR A 73 -4.586 -15.687 0.608 1.00 0.00 C ATOM 919 C THR A 73 -6.101 -15.881 0.556 1.00 0.00 C ATOM 920 O THR A 73 -6.622 -16.879 1.057 1.00 0.00 O ATOM 921 CB THR A 73 -4.116 -15.641 2.063 1.00 0.00 C ATOM 922 OG1 THR A 73 -4.673 -16.713 2.803 1.00 0.00 O ATOM 923 CG2 THR A 73 -4.482 -14.355 2.771 1.00 0.00 C ATOM 0 H THR A 73 -4.007 -13.673 0.519 1.00 0.00 H new ATOM 0 HA THR A 73 -4.117 -16.533 0.105 1.00 0.00 H new ATOM 0 HB THR A 73 -3.029 -15.714 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.426 -17.096 2.307 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.119 -14.389 3.798 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.026 -13.512 2.253 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.566 -14.236 2.773 1.00 0.00 H new ATOM 931 N ALA A 74 -6.806 -14.927 -0.049 1.00 0.00 N ATOM 932 CA ALA A 74 -8.257 -15.003 -0.157 1.00 0.00 C ATOM 933 C ALA A 74 -8.712 -14.772 -1.595 1.00 0.00 C ATOM 934 O ALA A 74 -8.952 -13.637 -2.004 1.00 0.00 O ATOM 935 CB ALA A 74 -8.909 -13.993 0.773 1.00 0.00 C ATOM 0 H ALA A 74 -6.394 -14.094 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.567 -16.005 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.993 -14.061 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.618 -14.205 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.585 -12.988 0.503 1.00 0.00 H new ATOM 941 N CYS A 75 -8.829 -15.855 -2.356 1.00 0.00 N ATOM 942 CA CYS A 75 -9.255 -15.766 -3.747 1.00 0.00 C ATOM 943 C CYS A 75 -10.772 -15.897 -3.859 1.00 0.00 C ATOM 944 O CYS A 75 -11.297 -16.986 -4.092 1.00 0.00 O ATOM 945 CB CYS A 75 -8.557 -16.846 -4.586 1.00 0.00 C ATOM 946 SG CYS A 75 -9.241 -17.073 -6.263 1.00 0.00 S ATOM 0 H CYS A 75 -8.635 -16.803 -2.033 1.00 0.00 H new ATOM 0 HA CYS A 75 -8.971 -14.787 -4.132 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -7.500 -16.594 -4.671 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -8.616 -17.795 -4.053 1.00 0.00 H new ATOM 951 N THR A 76 -11.468 -14.777 -3.691 1.00 0.00 N ATOM 952 CA THR A 76 -12.923 -14.757 -3.774 1.00 0.00 C ATOM 953 C THR A 76 -13.396 -13.660 -4.721 1.00 0.00 C ATOM 954 O THR A 76 -13.374 -12.479 -4.379 1.00 0.00 O ATOM 955 CB THR A 76 -13.531 -14.545 -2.385 1.00 0.00 C ATOM 956 OG1 THR A 76 -12.619 -14.934 -1.373 1.00 0.00 O ATOM 957 CG2 THR A 76 -14.815 -15.319 -2.169 1.00 0.00 C ATOM 0 H THR A 76 -11.046 -13.869 -3.496 1.00 0.00 H new ATOM 0 HA THR A 76 -13.254 -15.719 -4.165 1.00 0.00 H new ATOM 0 HB THR A 76 -13.754 -13.480 -2.327 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.025 -14.789 -0.493 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.193 -15.124 -1.165 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.557 -15.005 -2.903 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.620 -16.385 -2.283 1.00 0.00 H new ATOM 965 N ASN A 77 -13.820 -14.059 -5.916 1.00 0.00 N ATOM 966 CA ASN A 77 -14.297 -13.110 -6.916 1.00 0.00 C ATOM 967 C ASN A 77 -13.180 -12.160 -7.341 1.00 0.00 C ATOM 968 O ASN A 77 -13.215 -10.967 -7.042 1.00 0.00 O ATOM 969 CB ASN A 77 -15.485 -12.312 -6.371 1.00 0.00 C ATOM 970 CG ASN A 77 -16.638 -13.205 -5.956 1.00 0.00 C ATOM 971 OD1 ASN A 77 -16.828 -13.482 -4.772 1.00 0.00 O ATOM 972 ND2 ASN A 77 -17.413 -13.660 -6.932 1.00 0.00 N ATOM 0 H ASN A 77 -13.843 -15.034 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 77 -14.621 -13.675 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -15.160 -11.721 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.828 -11.610 -7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -18.204 -14.266 -6.715 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -17.217 -13.404 -7.900 1.00 0.00 H new ATOM 979 N SER A 78 -12.190 -12.703 -8.043 1.00 0.00 N ATOM 980 CA SER A 78 -11.061 -11.910 -8.514 1.00 0.00 C ATOM 981 C SER A 78 -10.680 -12.309 -9.937 1.00 0.00 C ATOM 982 O SER A 78 -11.445 -12.988 -10.623 1.00 0.00 O ATOM 983 CB SER A 78 -9.862 -12.086 -7.578 1.00 0.00 C ATOM 984 OG SER A 78 -10.269 -12.593 -6.319 1.00 0.00 O ATOM 0 H SER A 78 -12.147 -13.690 -8.298 1.00 0.00 H new ATOM 0 HA SER A 78 -11.355 -10.861 -8.516 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.140 -12.765 -8.031 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.358 -11.129 -7.443 1.00 0.00 H new ATOM 0 HG SER A 78 -10.330 -13.570 -6.364 1.00 0.00 H new ATOM 990 N SER A 79 -9.499 -11.885 -10.380 1.00 0.00 N ATOM 991 CA SER A 79 -9.032 -12.205 -11.724 1.00 0.00 C ATOM 992 C SER A 79 -7.731 -12.995 -11.685 1.00 0.00 C ATOM 993 O SER A 79 -7.539 -13.931 -12.462 1.00 0.00 O ATOM 994 CB SER A 79 -8.841 -10.931 -12.540 1.00 0.00 C ATOM 995 OG SER A 79 -9.259 -11.115 -13.881 1.00 0.00 O ATOM 0 H SER A 79 -8.851 -11.321 -9.830 1.00 0.00 H new ATOM 0 HA SER A 79 -9.793 -12.824 -12.200 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.408 -10.118 -12.088 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.792 -10.637 -12.520 1.00 0.00 H new ATOM 0 HG SER A 79 -9.128 -10.283 -14.382 1.00 0.00 H new ATOM 1001 N GLY A 80 -6.839 -12.618 -10.778 1.00 0.00 N ATOM 1002 CA GLY A 80 -5.571 -13.307 -10.662 1.00 0.00 C ATOM 1003 C GLY A 80 -5.402 -13.997 -9.321 1.00 0.00 C ATOM 1004 O GLY A 80 -4.286 -14.334 -8.928 1.00 0.00 O ATOM 0 H GLY A 80 -6.972 -11.848 -10.122 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.489 -14.046 -11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.760 -12.593 -10.804 1.00 0.00 H new ATOM 1008 N CYS A 81 -6.510 -14.197 -8.613 1.00 0.00 N ATOM 1009 CA CYS A 81 -6.472 -14.843 -7.303 1.00 0.00 C ATOM 1010 C CYS A 81 -6.399 -16.364 -7.430 1.00 0.00 C ATOM 1011 O CYS A 81 -6.990 -16.949 -8.338 1.00 0.00 O ATOM 1012 CB CYS A 81 -7.700 -14.450 -6.478 1.00 0.00 C ATOM 1013 SG CYS A 81 -9.264 -15.201 -7.050 1.00 0.00 S ATOM 0 H CYS A 81 -7.442 -13.922 -8.922 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.571 -14.501 -6.794 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.532 -14.736 -5.440 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -7.804 -13.365 -6.497 1.00 0.00 H new ATOM 1018 N PRO A 82 -5.677 -17.029 -6.509 1.00 0.00 N ATOM 1019 CA PRO A 82 -5.539 -18.489 -6.517 1.00 0.00 C ATOM 1020 C PRO A 82 -6.889 -19.197 -6.479 1.00 0.00 C ATOM 1021 O PRO A 82 -7.395 -19.533 -5.408 1.00 0.00 O ATOM 1022 CB PRO A 82 -4.747 -18.787 -5.240 1.00 0.00 C ATOM 1023 CG PRO A 82 -4.039 -17.516 -4.920 1.00 0.00 C ATOM 1024 CD PRO A 82 -4.944 -16.412 -5.388 1.00 0.00 C ATOM 0 HA PRO A 82 -5.053 -18.843 -7.426 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.408 -19.086 -4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.042 -19.604 -5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.845 -17.435 -3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.073 -17.469 -5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.619 -16.083 -4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.379 -15.537 -5.709 1.00 0.00 H new