USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 418 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 10 SER OG : rot -104:sc= 0.994 USER MOD Set 1.2: A 18 SER OG : rot -148:sc= -0.637! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-2.8) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.137) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -4.02! C(o=-4!,f=-8.5!) USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= 0.0994 (180deg=-0.0389) USER MOD Single : A 29 ASN : amide:sc= -7.91! C(o=-7.9!,f=-17!) USER MOD Single : A 30 MET CE :methyl -167:sc=-0.00852 (180deg=-0.251) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot -54:sc= 0.162 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 72:sc= 1.21 USER MOD Single : A 51 ASN : amide:sc= -4.69! C(o=-4.7!,f=-6.3!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -157:sc= -0.043 (180deg=-0.42) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -1.764 -10.176 -2.709 1.00 0.00 N ATOM 21 CA GLU A 2 -2.230 -9.530 -1.484 1.00 0.00 C ATOM 22 C GLU A 2 -1.062 -9.215 -0.553 1.00 0.00 C ATOM 23 O GLU A 2 -0.103 -9.980 -0.453 1.00 0.00 O ATOM 24 CB GLU A 2 -3.297 -10.372 -0.763 1.00 0.00 C ATOM 25 CG GLU A 2 -3.586 -11.725 -1.405 1.00 0.00 C ATOM 26 CD GLU A 2 -4.943 -11.770 -2.079 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.268 -10.820 -2.821 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.681 -12.755 -1.864 1.00 0.00 O ATOM 0 HA GLU A 2 -2.699 -8.589 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.977 -10.535 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.224 -9.800 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.812 -11.948 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.536 -12.503 -0.643 1.00 0.00 H new ATOM 35 N ALA A 3 -1.161 -8.075 0.122 1.00 0.00 N ATOM 36 CA ALA A 3 -0.150 -7.578 1.047 1.00 0.00 C ATOM 37 C ALA A 3 -0.803 -6.814 2.190 1.00 0.00 C ATOM 38 O ALA A 3 -1.730 -6.035 1.966 1.00 0.00 O ATOM 39 CB ALA A 3 0.835 -6.685 0.318 1.00 0.00 C ATOM 0 H ALA A 3 -1.967 -7.456 0.039 1.00 0.00 H new ATOM 0 HA ALA A 3 0.388 -8.431 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.585 -6.321 1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.325 -7.253 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.305 -5.838 -0.118 1.00 0.00 H new ATOM 45 N ILE A 4 -0.286 -6.972 3.398 1.00 0.00 N ATOM 46 CA ILE A 4 -0.819 -6.258 4.549 1.00 0.00 C ATOM 47 C ILE A 4 0.082 -5.089 4.922 1.00 0.00 C ATOM 48 O ILE A 4 1.267 -5.080 4.587 1.00 0.00 O ATOM 49 CB ILE A 4 -0.978 -7.222 5.744 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.590 -6.496 6.954 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.363 -7.858 6.094 1.00 0.00 C ATOM 52 CD1 ILE A 4 -0.582 -5.789 7.835 1.00 0.00 C ATOM 0 H ILE A 4 0.500 -7.587 3.608 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.799 -5.860 4.287 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.664 -8.020 5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.316 -5.766 6.595 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.137 -7.220 7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.235 -8.535 6.938 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.737 -8.415 5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.077 -7.078 6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.099 -5.304 8.663 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.131 -6.515 8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.051 -5.038 7.250 1.00 0.00 H new ATOM 64 N ALA A 5 -0.467 -4.124 5.649 1.00 0.00 N ATOM 65 CA ALA A 5 0.307 -2.959 6.047 1.00 0.00 C ATOM 66 C ALA A 5 -0.037 -2.507 7.425 1.00 0.00 C ATOM 67 O ALA A 5 -1.044 -1.816 7.594 1.00 0.00 O ATOM 68 CB ALA A 5 0.007 -1.819 5.106 1.00 0.00 C ATOM 0 H ALA A 5 -1.435 -4.125 5.971 1.00 0.00 H new ATOM 0 HA ALA A 5 1.359 -3.241 6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.585 -0.943 5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.275 -2.106 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.056 -1.583 5.148 1.00 0.00 H new ATOM 74 N LYS A 6 0.784 -2.795 8.417 1.00 0.00 N ATOM 75 CA LYS A 6 0.406 -2.285 9.702 1.00 0.00 C ATOM 76 C LYS A 6 1.276 -1.126 10.126 1.00 0.00 C ATOM 77 O LYS A 6 2.234 -1.272 10.882 1.00 0.00 O ATOM 78 CB LYS A 6 0.525 -3.420 10.718 1.00 0.00 C ATOM 79 CG LYS A 6 1.871 -4.144 10.661 1.00 0.00 C ATOM 80 CD LYS A 6 1.916 -5.216 9.572 1.00 0.00 C ATOM 81 CE LYS A 6 3.340 -5.474 9.087 1.00 0.00 C ATOM 82 NZ LYS A 6 4.207 -6.040 10.158 1.00 0.00 N ATOM 0 H LYS A 6 1.647 -3.335 8.364 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.618 -1.916 9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.379 -3.018 11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.275 -4.140 10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.663 -3.417 10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.073 -4.605 11.628 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.490 -6.143 9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.296 -4.905 8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.315 -6.162 8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.774 -4.541 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.164 -6.199 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.254 -5.374 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.809 -6.944 10.485 1.00 0.00 H new ATOM 96 N HIS A 7 0.797 0.044 9.755 1.00 0.00 N ATOM 97 CA HIS A 7 1.322 1.322 10.189 1.00 0.00 C ATOM 98 C HIS A 7 0.285 2.339 9.704 1.00 0.00 C ATOM 99 O HIS A 7 -0.013 2.328 8.508 1.00 0.00 O ATOM 100 CB HIS A 7 2.736 1.593 9.684 1.00 0.00 C ATOM 101 CG HIS A 7 3.779 1.038 10.611 1.00 0.00 C ATOM 102 ND1 HIS A 7 3.566 0.887 11.968 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.038 0.591 10.381 1.00 0.00 C ATOM 104 CE1 HIS A 7 4.643 0.374 12.529 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.551 0.185 11.591 1.00 0.00 N ATOM 0 H HIS A 7 0.003 0.134 9.121 1.00 0.00 H new ATOM 0 HA HIS A 7 1.451 1.368 11.270 1.00 0.00 H new ATOM 0 HB2 HIS A 7 2.859 1.152 8.695 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.883 2.668 9.575 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.543 0.560 9.427 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.762 0.147 13.578 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.484 -0.200 11.739 1.00 0.00 H new ATOM 114 N ASP A 8 -0.256 3.239 10.516 1.00 0.00 N ATOM 115 CA ASP A 8 -1.200 4.200 9.938 1.00 0.00 C ATOM 116 C ASP A 8 -0.447 5.022 8.884 1.00 0.00 C ATOM 117 O ASP A 8 0.769 5.188 8.984 1.00 0.00 O ATOM 118 CB ASP A 8 -1.822 5.125 10.985 1.00 0.00 C ATOM 119 CG ASP A 8 -3.143 4.593 11.503 1.00 0.00 C ATOM 120 OD1 ASP A 8 -4.038 4.330 10.676 1.00 0.00 O ATOM 121 OD2 ASP A 8 -3.280 4.435 12.734 1.00 0.00 O ATOM 0 H ASP A 8 -0.076 3.328 11.516 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.028 3.648 9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.129 5.247 11.818 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.975 6.113 10.550 1.00 0.00 H new ATOM 126 N PHE A 9 -1.166 5.588 7.909 1.00 0.00 N ATOM 127 CA PHE A 9 -0.505 6.422 6.898 1.00 0.00 C ATOM 128 C PHE A 9 -1.475 7.247 6.063 1.00 0.00 C ATOM 129 O PHE A 9 -2.638 6.894 5.860 1.00 0.00 O ATOM 130 CB PHE A 9 0.352 5.599 5.926 1.00 0.00 C ATOM 131 CG PHE A 9 1.439 6.406 5.267 1.00 0.00 C ATOM 132 CD1 PHE A 9 2.582 6.746 5.970 1.00 0.00 C ATOM 133 CD2 PHE A 9 1.321 6.825 3.948 1.00 0.00 C ATOM 134 CE1 PHE A 9 3.588 7.485 5.377 1.00 0.00 C ATOM 135 CE2 PHE A 9 2.325 7.566 3.350 1.00 0.00 C ATOM 136 CZ PHE A 9 3.460 7.895 4.067 1.00 0.00 C ATOM 0 H PHE A 9 -2.175 5.490 7.798 1.00 0.00 H new ATOM 0 HA PHE A 9 0.125 7.091 7.484 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.803 4.766 6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.291 5.171 5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.689 6.429 6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.436 6.570 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.474 7.741 5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.222 7.887 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.245 8.472 3.602 1.00 0.00 H new ATOM 146 N SER A 10 -0.892 8.285 5.477 1.00 0.00 N ATOM 147 CA SER A 10 -1.638 9.143 4.571 1.00 0.00 C ATOM 148 C SER A 10 -0.768 9.636 3.422 1.00 0.00 C ATOM 149 O SER A 10 0.025 10.562 3.585 1.00 0.00 O ATOM 150 CB SER A 10 -2.237 10.341 5.313 1.00 0.00 C ATOM 151 OG SER A 10 -3.611 10.495 5.005 1.00 0.00 O ATOM 0 H SER A 10 0.084 8.550 5.612 1.00 0.00 H new ATOM 0 HA SER A 10 -2.447 8.541 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.115 10.206 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.696 11.248 5.042 1.00 0.00 H new ATOM 0 HG SER A 10 -3.725 11.243 4.382 1.00 0.00 H new ATOM 157 N ALA A 11 -1.004 9.055 2.241 1.00 0.00 N ATOM 158 CA ALA A 11 -0.301 9.391 1.000 1.00 0.00 C ATOM 159 C ALA A 11 0.435 10.726 1.034 1.00 0.00 C ATOM 160 O ALA A 11 -0.014 11.714 1.615 1.00 0.00 O ATOM 161 CB ALA A 11 -1.333 9.435 -0.119 1.00 0.00 C ATOM 0 H ALA A 11 -1.704 8.323 2.119 1.00 0.00 H new ATOM 0 HA ALA A 11 0.462 8.628 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.840 9.683 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.815 8.461 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.084 10.192 0.108 1.00 0.00 H new ATOM 167 N THR A 12 1.600 10.704 0.373 1.00 0.00 N ATOM 168 CA THR A 12 2.481 11.855 0.273 1.00 0.00 C ATOM 169 C THR A 12 2.417 12.467 -1.137 1.00 0.00 C ATOM 170 O THR A 12 2.873 13.588 -1.364 1.00 0.00 O ATOM 171 CB THR A 12 3.923 11.440 0.679 1.00 0.00 C ATOM 172 OG1 THR A 12 4.232 11.939 1.971 1.00 0.00 O ATOM 173 CG2 THR A 12 5.019 11.913 -0.265 1.00 0.00 C ATOM 0 H THR A 12 1.952 9.876 -0.108 1.00 0.00 H new ATOM 0 HA THR A 12 2.152 12.633 0.963 1.00 0.00 H new ATOM 0 HB THR A 12 3.911 10.351 0.645 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.142 11.670 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.987 11.574 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.845 11.502 -1.260 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.011 13.002 -0.316 1.00 0.00 H new ATOM 181 N ALA A 13 1.805 11.729 -2.057 1.00 0.00 N ATOM 182 CA ALA A 13 1.613 12.193 -3.431 1.00 0.00 C ATOM 183 C ALA A 13 0.132 12.050 -3.764 1.00 0.00 C ATOM 184 O ALA A 13 -0.552 11.237 -3.147 1.00 0.00 O ATOM 185 CB ALA A 13 2.473 11.388 -4.399 1.00 0.00 C ATOM 0 H ALA A 13 1.429 10.798 -1.876 1.00 0.00 H new ATOM 0 HA ALA A 13 1.919 13.235 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.314 11.750 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.524 11.502 -4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.197 10.335 -4.342 1.00 0.00 H new ATOM 191 N ASP A 14 -0.394 12.824 -4.715 1.00 0.00 N ATOM 192 CA ASP A 14 -1.804 12.754 -5.079 1.00 0.00 C ATOM 193 C ASP A 14 -2.182 11.376 -5.595 1.00 0.00 C ATOM 194 O ASP A 14 -3.266 10.865 -5.315 1.00 0.00 O ATOM 195 CB ASP A 14 -2.137 13.760 -6.180 1.00 0.00 C ATOM 196 CG ASP A 14 -1.163 13.690 -7.339 1.00 0.00 C ATOM 197 OD1 ASP A 14 0.048 13.893 -7.108 1.00 0.00 O ATOM 198 OD2 ASP A 14 -1.611 13.434 -8.475 1.00 0.00 O ATOM 0 H ASP A 14 0.142 13.509 -5.248 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.364 12.979 -4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.147 13.574 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.130 14.767 -5.763 1.00 0.00 H new ATOM 203 N ASP A 15 -1.237 10.751 -6.289 1.00 0.00 N ATOM 204 CA ASP A 15 -1.432 9.411 -6.812 1.00 0.00 C ATOM 205 C ASP A 15 -1.006 8.372 -5.779 1.00 0.00 C ATOM 206 O ASP A 15 -0.512 7.305 -6.134 1.00 0.00 O ATOM 207 CB ASP A 15 -0.637 9.230 -8.111 1.00 0.00 C ATOM 208 CG ASP A 15 -0.998 10.264 -9.162 1.00 0.00 C ATOM 209 OD1 ASP A 15 -2.122 10.194 -9.704 1.00 0.00 O ATOM 210 OD2 ASP A 15 -0.155 11.141 -9.446 1.00 0.00 O ATOM 0 H ASP A 15 -0.325 11.156 -6.501 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.491 9.270 -7.028 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.429 9.295 -7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.820 8.232 -8.509 1.00 0.00 H new ATOM 215 N GLU A 16 -1.248 8.668 -4.500 1.00 0.00 N ATOM 216 CA GLU A 16 -0.940 7.748 -3.417 1.00 0.00 C ATOM 217 C GLU A 16 -2.235 7.424 -2.678 1.00 0.00 C ATOM 218 O GLU A 16 -3.300 7.906 -3.066 1.00 0.00 O ATOM 219 CB GLU A 16 0.104 8.351 -2.472 1.00 0.00 C ATOM 220 CG GLU A 16 1.511 8.267 -3.014 1.00 0.00 C ATOM 221 CD GLU A 16 2.561 8.057 -1.939 1.00 0.00 C ATOM 222 OE1 GLU A 16 2.225 7.483 -0.882 1.00 0.00 O ATOM 223 OE2 GLU A 16 3.720 8.469 -2.157 1.00 0.00 O ATOM 0 H GLU A 16 -1.661 9.549 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.512 6.830 -3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.145 9.395 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.059 7.835 -1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.568 7.448 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.738 9.184 -3.558 1.00 0.00 H new ATOM 230 N LEU A 17 -2.180 6.525 -1.709 1.00 0.00 N ATOM 231 CA LEU A 17 -3.399 6.099 -1.024 1.00 0.00 C ATOM 232 C LEU A 17 -3.203 5.965 0.483 1.00 0.00 C ATOM 233 O LEU A 17 -2.320 5.239 0.942 1.00 0.00 O ATOM 234 CB LEU A 17 -3.818 4.718 -1.529 1.00 0.00 C ATOM 235 CG LEU A 17 -2.793 3.610 -1.320 1.00 0.00 C ATOM 236 CD1 LEU A 17 -3.281 2.600 -0.293 1.00 0.00 C ATOM 237 CD2 LEU A 17 -2.477 2.923 -2.634 1.00 0.00 C ATOM 0 H LEU A 17 -1.323 6.080 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.150 6.862 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.744 4.432 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.039 4.790 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.879 4.064 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.530 1.821 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.450 3.102 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.213 2.152 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.743 2.135 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.388 2.489 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.072 3.651 -3.337 1.00 0.00 H new ATOM 249 N SER A 18 -4.088 6.597 1.242 1.00 0.00 N ATOM 250 CA SER A 18 -4.050 6.508 2.696 1.00 0.00 C ATOM 251 C SER A 18 -4.816 5.284 3.180 1.00 0.00 C ATOM 252 O SER A 18 -5.649 4.722 2.470 1.00 0.00 O ATOM 253 CB SER A 18 -4.656 7.762 3.323 1.00 0.00 C ATOM 254 OG SER A 18 -4.003 8.929 2.863 1.00 0.00 O ATOM 0 H SER A 18 -4.842 7.178 0.875 1.00 0.00 H new ATOM 0 HA SER A 18 -3.007 6.420 3.000 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.717 7.816 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.579 7.703 4.409 1.00 0.00 H new ATOM 0 HG SER A 18 -4.012 9.609 3.569 1.00 0.00 H new ATOM 260 N PHE A 19 -4.484 4.867 4.400 1.00 0.00 N ATOM 261 CA PHE A 19 -5.109 3.704 5.017 1.00 0.00 C ATOM 262 C PHE A 19 -4.828 3.650 6.515 1.00 0.00 C ATOM 263 O PHE A 19 -4.186 4.548 7.071 1.00 0.00 O ATOM 264 CB PHE A 19 -4.644 2.408 4.351 1.00 0.00 C ATOM 265 CG PHE A 19 -3.164 2.167 4.445 1.00 0.00 C ATOM 266 CD1 PHE A 19 -2.627 1.521 5.543 1.00 0.00 C ATOM 267 CD2 PHE A 19 -2.312 2.574 3.430 1.00 0.00 C ATOM 268 CE1 PHE A 19 -1.270 1.287 5.636 1.00 0.00 C ATOM 269 CE2 PHE A 19 -0.951 2.341 3.514 1.00 0.00 C ATOM 270 CZ PHE A 19 -0.429 1.696 4.619 1.00 0.00 C ATOM 0 H PHE A 19 -3.781 5.322 4.982 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.185 3.803 4.872 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.168 1.569 4.809 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.932 2.429 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.279 1.195 6.340 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.715 3.078 2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.866 0.785 6.503 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.297 2.663 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.633 1.512 4.687 1.00 0.00 H new ATOM 280 N ARG A 20 -5.346 2.620 7.175 1.00 0.00 N ATOM 281 CA ARG A 20 -5.161 2.467 8.611 1.00 0.00 C ATOM 282 C ARG A 20 -4.294 1.253 8.902 1.00 0.00 C ATOM 283 O ARG A 20 -4.115 0.398 8.032 1.00 0.00 O ATOM 284 CB ARG A 20 -6.509 2.341 9.325 1.00 0.00 C ATOM 285 CG ARG A 20 -7.006 3.650 9.916 1.00 0.00 C ATOM 286 CD ARG A 20 -7.962 3.414 11.071 1.00 0.00 C ATOM 287 NE ARG A 20 -7.262 3.317 12.351 1.00 0.00 N ATOM 288 CZ ARG A 20 -7.793 3.680 13.518 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.035 4.146 13.577 1.00 0.00 N ATOM 290 NH2 ARG A 20 -7.081 3.571 14.632 1.00 0.00 N ATOM 0 H ARG A 20 -5.896 1.880 6.738 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.659 3.358 8.988 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.251 1.965 8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.422 1.602 10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.157 4.240 10.261 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.506 4.233 9.142 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.686 4.228 11.114 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.524 2.497 10.895 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.310 2.950 12.351 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.590 4.228 12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.434 4.422 14.474 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.128 3.210 14.595 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.487 3.849 15.526 1.00 0.00 H new ATOM 304 N LYS A 21 -3.804 1.120 10.126 1.00 0.00 N ATOM 305 CA LYS A 21 -3.019 -0.049 10.477 1.00 0.00 C ATOM 306 C LYS A 21 -3.862 -1.308 10.286 1.00 0.00 C ATOM 307 O LYS A 21 -5.044 -1.333 10.627 1.00 0.00 O ATOM 308 CB LYS A 21 -2.566 0.016 11.934 1.00 0.00 C ATOM 309 CG LYS A 21 -1.454 -0.963 12.262 1.00 0.00 C ATOM 310 CD LYS A 21 -0.868 -0.701 13.639 1.00 0.00 C ATOM 311 CE LYS A 21 -1.246 -1.795 14.623 1.00 0.00 C ATOM 312 NZ LYS A 21 -0.300 -2.943 14.565 1.00 0.00 N ATOM 0 H LYS A 21 -3.934 1.795 10.879 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.142 -0.075 9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.227 1.028 12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.420 -0.184 12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.840 -1.981 12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.668 -0.887 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.218 -0.635 13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.222 0.261 14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.260 -1.386 15.633 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.256 -2.145 14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.476 -3.579 15.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.439 -3.463 13.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.677 -2.590 14.610 1.00 0.00 H new ATOM 326 N THR A 22 -3.240 -2.352 9.753 1.00 0.00 N ATOM 327 CA THR A 22 -3.883 -3.645 9.559 1.00 0.00 C ATOM 328 C THR A 22 -4.750 -3.766 8.311 1.00 0.00 C ATOM 329 O THR A 22 -5.359 -4.817 8.108 1.00 0.00 O ATOM 330 CB THR A 22 -4.677 -4.036 10.821 1.00 0.00 C ATOM 331 OG1 THR A 22 -4.443 -5.393 11.150 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.183 -3.847 10.721 1.00 0.00 C ATOM 0 H THR A 22 -2.269 -2.325 9.441 1.00 0.00 H new ATOM 0 HA THR A 22 -3.068 -4.348 9.390 1.00 0.00 H new ATOM 0 HB THR A 22 -4.313 -3.353 11.588 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.952 -5.627 11.954 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.651 -4.150 11.658 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.406 -2.798 10.526 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.573 -4.458 9.907 1.00 0.00 H new ATOM 340 N GLN A 23 -4.835 -2.739 7.462 1.00 0.00 N ATOM 341 CA GLN A 23 -5.652 -2.904 6.275 1.00 0.00 C ATOM 342 C GLN A 23 -4.882 -3.605 5.167 1.00 0.00 C ATOM 343 O GLN A 23 -3.676 -3.412 5.011 1.00 0.00 O ATOM 344 CB GLN A 23 -6.299 -1.619 5.758 1.00 0.00 C ATOM 345 CG GLN A 23 -7.775 -1.773 5.442 1.00 0.00 C ATOM 346 CD GLN A 23 -8.132 -1.244 4.072 1.00 0.00 C ATOM 347 OE1 GLN A 23 -7.289 -1.198 3.176 1.00 0.00 O ATOM 348 NE2 GLN A 23 -9.385 -0.840 3.905 1.00 0.00 N ATOM 0 H GLN A 23 -4.374 -1.835 7.569 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.481 -3.536 6.594 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.174 -0.833 6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.775 -1.293 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.048 -2.826 5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.361 -1.247 6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.047 -0.898 4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.686 -0.471 3.003 1.00 0.00 H new ATOM 357 N ILE A 24 -5.589 -4.443 4.423 1.00 0.00 N ATOM 358 CA ILE A 24 -4.984 -5.214 3.344 1.00 0.00 C ATOM 359 C ILE A 24 -4.871 -4.379 2.074 1.00 0.00 C ATOM 360 O ILE A 24 -5.862 -3.838 1.585 1.00 0.00 O ATOM 361 CB ILE A 24 -5.811 -6.487 3.054 1.00 0.00 C ATOM 362 CG1 ILE A 24 -5.141 -7.336 1.974 1.00 0.00 C ATOM 363 CG2 ILE A 24 -7.230 -6.126 2.641 1.00 0.00 C ATOM 364 CD1 ILE A 24 -3.942 -8.107 2.472 1.00 0.00 C ATOM 0 H ILE A 24 -6.588 -4.608 4.547 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.983 -5.503 3.665 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.858 -7.074 3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.871 -8.037 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.832 -6.688 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.794 -7.037 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.712 -5.569 3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.202 -5.513 1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.517 -8.687 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.194 -7.411 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.249 -8.780 3.272 1.00 0.00 H new ATOM 376 N LEU A 25 -3.648 -4.264 1.551 1.00 0.00 N ATOM 377 CA LEU A 25 -3.413 -3.476 0.345 1.00 0.00 C ATOM 378 C LEU A 25 -3.138 -4.358 -0.867 1.00 0.00 C ATOM 379 O LEU A 25 -2.503 -5.408 -0.752 1.00 0.00 O ATOM 380 CB LEU A 25 -2.264 -2.474 0.522 1.00 0.00 C ATOM 381 CG LEU A 25 -1.589 -2.454 1.899 1.00 0.00 C ATOM 382 CD1 LEU A 25 -0.138 -2.891 1.785 1.00 0.00 C ATOM 383 CD2 LEU A 25 -1.685 -1.066 2.515 1.00 0.00 C ATOM 0 H LEU A 25 -2.814 -4.703 1.941 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.333 -2.918 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.504 -2.688 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.646 -1.475 0.313 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.108 -3.156 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.326 -2.871 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.093 -3.903 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.395 -2.212 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.202 -1.067 3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.189 -0.345 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.733 -0.790 2.629 1.00 0.00 H new ATOM 395 N LYS A 26 -3.641 -3.939 -2.022 1.00 0.00 N ATOM 396 CA LYS A 26 -3.483 -4.680 -3.268 1.00 0.00 C ATOM 397 C LYS A 26 -2.194 -4.302 -4.005 1.00 0.00 C ATOM 398 O LYS A 26 -2.158 -3.318 -4.737 1.00 0.00 O ATOM 399 CB LYS A 26 -4.656 -4.306 -4.172 1.00 0.00 C ATOM 400 CG LYS A 26 -6.007 -4.727 -3.621 1.00 0.00 C ATOM 401 CD LYS A 26 -6.553 -5.937 -4.359 1.00 0.00 C ATOM 402 CE LYS A 26 -7.023 -7.010 -3.392 1.00 0.00 C ATOM 403 NZ LYS A 26 -5.978 -8.046 -3.163 1.00 0.00 N ATOM 0 H LYS A 26 -4.171 -3.073 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.446 -5.744 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.656 -3.227 -4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.512 -4.767 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.913 -4.958 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.711 -3.899 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.382 -5.632 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.782 -6.346 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.292 -6.550 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.924 -7.483 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.433 -8.958 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.389 -8.139 -4.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.381 -7.765 -2.359 1.00 0.00 H new ATOM 417 N ILE A 27 -1.162 -5.123 -3.844 1.00 0.00 N ATOM 418 CA ILE A 27 0.105 -4.864 -4.531 1.00 0.00 C ATOM 419 C ILE A 27 0.000 -5.306 -5.984 1.00 0.00 C ATOM 420 O ILE A 27 -0.579 -6.356 -6.265 1.00 0.00 O ATOM 421 CB ILE A 27 1.285 -5.606 -3.855 1.00 0.00 C ATOM 422 CG1 ILE A 27 1.468 -5.105 -2.423 1.00 0.00 C ATOM 423 CG2 ILE A 27 2.576 -5.414 -4.645 1.00 0.00 C ATOM 424 CD1 ILE A 27 2.709 -5.648 -1.741 1.00 0.00 C ATOM 0 H ILE A 27 -1.172 -5.957 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 27 0.300 -3.793 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 27 1.052 -6.671 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.516 -4.016 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.592 -5.381 -1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.388 -5.945 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.448 -5.808 -5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.816 -4.352 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.772 -5.249 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.655 -6.736 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.593 -5.350 -2.304 1.00 0.00 H new ATOM 436 N LEU A 28 0.471 -4.480 -6.923 1.00 0.00 N ATOM 437 CA LEU A 28 0.323 -4.854 -8.330 1.00 0.00 C ATOM 438 C LEU A 28 1.437 -4.368 -9.259 1.00 0.00 C ATOM 439 O LEU A 28 1.592 -4.925 -10.345 1.00 0.00 O ATOM 440 CB LEU A 28 -1.032 -4.373 -8.859 1.00 0.00 C ATOM 441 CG LEU A 28 -1.258 -2.858 -8.816 1.00 0.00 C ATOM 442 CD1 LEU A 28 -1.066 -2.245 -10.197 1.00 0.00 C ATOM 443 CD2 LEU A 28 -2.649 -2.541 -8.285 1.00 0.00 C ATOM 0 H LEU A 28 0.936 -3.590 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 28 0.391 -5.942 -8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.140 -4.710 -9.890 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.820 -4.857 -8.282 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.521 -2.423 -8.141 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.231 -1.169 -10.144 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.051 -2.440 -10.544 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.778 -2.687 -10.894 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.792 -1.461 -8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.398 -2.992 -8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.754 -2.943 -7.277 1.00 0.00 H new ATOM 455 N ASN A 29 2.231 -3.372 -8.872 1.00 0.00 N ATOM 456 CA ASN A 29 3.299 -2.945 -9.774 1.00 0.00 C ATOM 457 C ASN A 29 4.508 -2.345 -9.080 1.00 0.00 C ATOM 458 O ASN A 29 4.467 -1.245 -8.529 1.00 0.00 O ATOM 459 CB ASN A 29 2.775 -1.968 -10.841 1.00 0.00 C ATOM 460 CG ASN A 29 2.564 -0.551 -10.346 1.00 0.00 C ATOM 461 OD1 ASN A 29 1.444 -0.158 -10.031 1.00 0.00 O ATOM 462 ND2 ASN A 29 3.638 0.232 -10.309 1.00 0.00 N ATOM 0 H ASN A 29 2.164 -2.868 -7.988 1.00 0.00 H new ATOM 0 HA ASN A 29 3.641 -3.865 -10.249 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.478 -1.948 -11.674 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.831 -2.348 -11.231 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.551 1.203 -10.010 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.549 -0.139 -10.580 1.00 0.00 H new ATOM 469 N MET A 30 5.625 -3.037 -9.262 1.00 0.00 N ATOM 470 CA MET A 30 6.877 -2.559 -8.784 1.00 0.00 C ATOM 471 C MET A 30 7.654 -2.017 -9.959 1.00 0.00 C ATOM 472 O MET A 30 7.814 -2.647 -11.002 1.00 0.00 O ATOM 473 CB MET A 30 7.708 -3.612 -8.042 1.00 0.00 C ATOM 474 CG MET A 30 7.699 -3.429 -6.532 1.00 0.00 C ATOM 475 SD MET A 30 8.825 -4.554 -5.688 1.00 0.00 S ATOM 476 CE MET A 30 8.025 -6.124 -6.006 1.00 0.00 C ATOM 0 H MET A 30 5.670 -3.935 -9.743 1.00 0.00 H new ATOM 0 HA MET A 30 6.670 -1.783 -8.047 1.00 0.00 H new ATOM 0 HB2 MET A 30 7.325 -4.604 -8.283 1.00 0.00 H new ATOM 0 HB3 MET A 30 8.737 -3.572 -8.400 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.972 -2.401 -6.293 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.687 -3.585 -6.157 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.461 -6.891 -5.365 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.959 -6.038 -5.796 1.00 0.00 H new ATOM 0 HE3 MET A 30 8.168 -6.400 -7.051 1.00 0.00 H new ATOM 486 N GLU A 31 8.093 -0.818 -9.725 1.00 0.00 N ATOM 487 CA GLU A 31 8.843 -0.036 -10.687 1.00 0.00 C ATOM 488 C GLU A 31 9.299 1.222 -10.003 1.00 0.00 C ATOM 489 O GLU A 31 10.426 1.685 -10.186 1.00 0.00 O ATOM 490 CB GLU A 31 7.996 0.446 -11.873 1.00 0.00 C ATOM 491 CG GLU A 31 7.682 -0.636 -12.897 1.00 0.00 C ATOM 492 CD GLU A 31 6.545 -0.255 -13.824 1.00 0.00 C ATOM 493 OE1 GLU A 31 6.393 0.950 -14.115 1.00 0.00 O ATOM 494 OE2 GLU A 31 5.804 -1.162 -14.257 1.00 0.00 O ATOM 0 H GLU A 31 7.941 -0.335 -8.840 1.00 0.00 H new ATOM 0 HA GLU A 31 9.646 -0.677 -11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.059 0.854 -11.494 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.520 1.261 -12.372 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.574 -0.840 -13.489 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.427 -1.559 -12.377 1.00 0.00 H new ATOM 501 N ASP A 32 8.368 1.806 -9.250 1.00 0.00 N ATOM 502 CA ASP A 32 8.609 3.048 -8.574 1.00 0.00 C ATOM 503 C ASP A 32 9.763 2.935 -7.608 1.00 0.00 C ATOM 504 O ASP A 32 10.077 3.938 -6.971 1.00 0.00 O ATOM 505 CB ASP A 32 7.351 3.612 -7.913 1.00 0.00 C ATOM 506 CG ASP A 32 6.494 4.394 -8.889 1.00 0.00 C ATOM 507 OD1 ASP A 32 6.086 3.815 -9.917 1.00 0.00 O ATOM 508 OD2 ASP A 32 6.234 5.587 -8.626 1.00 0.00 O ATOM 0 H ASP A 32 7.435 1.422 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 32 8.896 3.773 -9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.766 2.794 -7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.637 4.259 -7.084 1.00 0.00 H new ATOM 513 N ASP A 33 10.437 1.770 -7.489 1.00 0.00 N ATOM 514 CA ASP A 33 11.594 1.631 -6.587 1.00 0.00 C ATOM 515 C ASP A 33 11.273 0.788 -5.362 1.00 0.00 C ATOM 516 O ASP A 33 10.118 0.670 -4.950 1.00 0.00 O ATOM 517 CB ASP A 33 12.084 3.019 -6.169 1.00 0.00 C ATOM 518 CG ASP A 33 13.460 2.959 -5.537 1.00 0.00 C ATOM 519 OD1 ASP A 33 14.408 2.522 -6.224 1.00 0.00 O ATOM 520 OD2 ASP A 33 13.585 3.332 -4.354 1.00 0.00 O ATOM 0 H ASP A 33 10.200 0.921 -8.003 1.00 0.00 H new ATOM 0 HA ASP A 33 12.382 1.110 -7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.112 3.673 -7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.378 3.457 -5.464 1.00 0.00 H new ATOM 525 N SER A 34 12.313 0.181 -4.807 1.00 0.00 N ATOM 526 CA SER A 34 12.198 -0.692 -3.644 1.00 0.00 C ATOM 527 C SER A 34 11.694 0.038 -2.394 1.00 0.00 C ATOM 528 O SER A 34 12.143 -0.291 -1.295 1.00 0.00 O ATOM 529 CB SER A 34 13.570 -1.300 -3.344 1.00 0.00 C ATOM 530 OG SER A 34 13.879 -2.338 -4.260 1.00 0.00 O ATOM 0 H SER A 34 13.267 0.280 -5.153 1.00 0.00 H new ATOM 0 HA SER A 34 11.464 -1.461 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.334 -0.525 -3.397 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.583 -1.692 -2.327 1.00 0.00 H new ATOM 0 HG SER A 34 14.761 -2.709 -4.048 1.00 0.00 H new ATOM 536 N ASN A 35 10.859 1.075 -2.512 1.00 0.00 N ATOM 537 CA ASN A 35 10.456 1.804 -1.310 1.00 0.00 C ATOM 538 C ASN A 35 9.021 2.329 -1.373 1.00 0.00 C ATOM 539 O ASN A 35 8.381 2.527 -0.341 1.00 0.00 O ATOM 540 CB ASN A 35 11.412 2.981 -1.097 1.00 0.00 C ATOM 541 CG ASN A 35 11.969 3.029 0.311 1.00 0.00 C ATOM 542 OD1 ASN A 35 12.842 2.240 0.674 1.00 0.00 O ATOM 543 ND2 ASN A 35 11.468 3.961 1.112 1.00 0.00 N ATOM 0 H ASN A 35 10.464 1.416 -3.388 1.00 0.00 H new ATOM 0 HA ASN A 35 10.500 1.100 -0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.235 2.909 -1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.888 3.913 -1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.806 4.045 2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.745 4.594 0.769 1.00 0.00 H new ATOM 550 N TRP A 36 8.526 2.566 -2.581 1.00 0.00 N ATOM 551 CA TRP A 36 7.168 3.059 -2.763 1.00 0.00 C ATOM 552 C TRP A 36 6.418 2.165 -3.747 1.00 0.00 C ATOM 553 O TRP A 36 6.810 2.033 -4.907 1.00 0.00 O ATOM 554 CB TRP A 36 7.185 4.512 -3.243 1.00 0.00 C ATOM 555 CG TRP A 36 7.666 5.462 -2.187 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.895 6.048 -2.114 1.00 0.00 C ATOM 557 CD2 TRP A 36 6.932 5.924 -1.045 1.00 0.00 C ATOM 558 NE1 TRP A 36 8.975 6.841 -0.996 1.00 0.00 N ATOM 559 CE2 TRP A 36 7.781 6.782 -0.323 1.00 0.00 C ATOM 560 CE3 TRP A 36 5.640 5.694 -0.562 1.00 0.00 C ATOM 561 CZ2 TRP A 36 7.379 7.409 0.855 1.00 0.00 C ATOM 562 CZ3 TRP A 36 5.241 6.316 0.609 1.00 0.00 C ATOM 563 CH2 TRP A 36 6.110 7.163 1.306 1.00 0.00 C ATOM 0 H TRP A 36 9.044 2.425 -3.448 1.00 0.00 H new ATOM 0 HA TRP A 36 6.648 3.030 -1.805 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.827 4.594 -4.120 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.181 4.800 -3.555 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.690 5.909 -2.831 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.790 7.385 -0.712 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.964 5.041 -1.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.046 8.066 1.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.245 6.145 0.990 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.773 7.632 2.218 1.00 0.00 H new ATOM 574 N TYR A 37 5.394 1.480 -3.242 1.00 0.00 N ATOM 575 CA TYR A 37 4.627 0.519 -4.032 1.00 0.00 C ATOM 576 C TYR A 37 3.292 1.082 -4.491 1.00 0.00 C ATOM 577 O TYR A 37 2.784 2.048 -3.927 1.00 0.00 O ATOM 578 CB TYR A 37 4.393 -0.760 -3.225 1.00 0.00 C ATOM 579 CG TYR A 37 5.641 -1.587 -2.986 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.781 -1.422 -3.768 1.00 0.00 C ATOM 581 CD2 TYR A 37 5.676 -2.541 -1.976 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.914 -2.183 -3.548 1.00 0.00 C ATOM 583 CE2 TYR A 37 6.807 -3.304 -1.750 1.00 0.00 C ATOM 584 CZ TYR A 37 7.922 -3.121 -2.539 1.00 0.00 C ATOM 585 OH TYR A 37 9.049 -3.880 -2.317 1.00 0.00 O ATOM 0 H TYR A 37 5.074 1.575 -2.278 1.00 0.00 H new ATOM 0 HA TYR A 37 5.215 0.296 -4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.959 -0.493 -2.262 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.659 -1.375 -3.746 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.780 -0.687 -4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.804 -2.689 -1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.789 -2.043 -4.165 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.816 -4.040 -0.959 1.00 0.00 H new ATOM 0 HH TYR A 37 9.316 -4.321 -3.151 1.00 0.00 H new ATOM 595 N ARG A 38 2.794 0.535 -5.596 1.00 0.00 N ATOM 596 CA ARG A 38 1.533 0.968 -6.176 1.00 0.00 C ATOM 597 C ARG A 38 0.492 -0.092 -5.816 1.00 0.00 C ATOM 598 O ARG A 38 0.550 -1.237 -6.293 1.00 0.00 O ATOM 599 CB ARG A 38 1.656 1.132 -7.685 1.00 0.00 C ATOM 600 CG ARG A 38 0.440 1.775 -8.330 1.00 0.00 C ATOM 601 CD ARG A 38 0.828 2.965 -9.192 1.00 0.00 C ATOM 602 NE ARG A 38 -0.337 3.746 -9.593 1.00 0.00 N ATOM 603 CZ ARG A 38 -0.322 4.669 -10.549 1.00 0.00 C ATOM 604 NH1 ARG A 38 0.801 4.941 -11.204 1.00 0.00 N ATOM 605 NH2 ARG A 38 -1.433 5.325 -10.850 1.00 0.00 N ATOM 0 H ARG A 38 3.253 -0.217 -6.110 1.00 0.00 H new ATOM 0 HA ARG A 38 1.239 1.941 -5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.536 1.737 -7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.821 0.153 -8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.082 1.038 -8.940 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.256 2.097 -7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.521 3.602 -8.642 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.354 2.614 -10.080 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.218 3.573 -9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.659 4.440 -10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.805 5.651 -11.937 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.297 5.121 -10.348 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.424 6.034 -11.583 1.00 0.00 H new ATOM 619 N ALA A 39 -0.455 0.299 -4.969 1.00 0.00 N ATOM 620 CA ALA A 39 -1.508 -0.597 -4.509 1.00 0.00 C ATOM 621 C ALA A 39 -2.906 -0.064 -4.831 1.00 0.00 C ATOM 622 O ALA A 39 -3.070 1.074 -5.269 1.00 0.00 O ATOM 623 CB ALA A 39 -1.348 -0.818 -3.012 1.00 0.00 C ATOM 0 H ALA A 39 -0.513 1.242 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.409 -1.544 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.132 -1.488 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.373 -1.262 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.425 0.137 -2.493 1.00 0.00 H new ATOM 629 N GLU A 40 -3.906 -0.909 -4.593 1.00 0.00 N ATOM 630 CA GLU A 40 -5.303 -0.546 -4.835 1.00 0.00 C ATOM 631 C GLU A 40 -6.130 -0.747 -3.567 1.00 0.00 C ATOM 632 O GLU A 40 -5.765 -1.544 -2.700 1.00 0.00 O ATOM 633 CB GLU A 40 -5.880 -1.378 -5.982 1.00 0.00 C ATOM 634 CG GLU A 40 -6.773 -0.577 -6.919 1.00 0.00 C ATOM 635 CD GLU A 40 -8.147 -1.196 -7.093 1.00 0.00 C ATOM 636 OE1 GLU A 40 -8.237 -2.274 -7.719 1.00 0.00 O ATOM 637 OE2 GLU A 40 -9.131 -0.603 -6.604 1.00 0.00 O ATOM 0 H GLU A 40 -3.776 -1.854 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.344 0.507 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.060 -1.811 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.452 -2.208 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.882 0.436 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.290 -0.496 -7.893 1.00 0.00 H new ATOM 644 N LEU A 41 -7.190 0.050 -3.418 1.00 0.00 N ATOM 645 CA LEU A 41 -8.018 -0.014 -2.218 1.00 0.00 C ATOM 646 C LEU A 41 -9.386 0.642 -2.444 1.00 0.00 C ATOM 647 O LEU A 41 -9.468 1.829 -2.759 1.00 0.00 O ATOM 648 CB LEU A 41 -7.285 0.668 -1.059 1.00 0.00 C ATOM 649 CG LEU A 41 -8.166 1.094 0.113 1.00 0.00 C ATOM 650 CD1 LEU A 41 -8.791 -0.124 0.765 1.00 0.00 C ATOM 651 CD2 LEU A 41 -7.362 1.899 1.126 1.00 0.00 C ATOM 0 H LEU A 41 -7.491 0.739 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.194 -1.062 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.518 -0.011 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.771 1.549 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.965 1.733 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.417 0.191 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.401 -0.655 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.005 -0.785 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.009 2.193 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.541 1.290 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.960 2.791 0.645 1.00 0.00 H new ATOM 663 N ASP A 42 -10.456 -0.137 -2.273 1.00 0.00 N ATOM 664 CA ASP A 42 -11.820 0.362 -2.446 1.00 0.00 C ATOM 665 C ASP A 42 -12.087 0.735 -3.903 1.00 0.00 C ATOM 666 O ASP A 42 -12.671 -0.043 -4.656 1.00 0.00 O ATOM 667 CB ASP A 42 -12.075 1.567 -1.531 1.00 0.00 C ATOM 668 CG ASP A 42 -13.519 2.030 -1.576 1.00 0.00 C ATOM 669 OD1 ASP A 42 -14.420 1.165 -1.571 1.00 0.00 O ATOM 670 OD2 ASP A 42 -13.749 3.257 -1.616 1.00 0.00 O ATOM 0 H ASP A 42 -10.402 -1.122 -2.013 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.507 -0.437 -2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.812 1.304 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.423 2.389 -1.827 1.00 0.00 H new ATOM 675 N GLY A 43 -11.650 1.928 -4.292 1.00 0.00 N ATOM 676 CA GLY A 43 -11.843 2.388 -5.654 1.00 0.00 C ATOM 677 C GLY A 43 -10.759 3.356 -6.081 1.00 0.00 C ATOM 678 O GLY A 43 -10.945 4.110 -7.036 1.00 0.00 O ATOM 0 H GLY A 43 -11.163 2.587 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.852 1.532 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.816 2.872 -5.740 1.00 0.00 H new ATOM 682 N LYS A 44 -9.662 3.412 -5.330 1.00 0.00 N ATOM 683 CA LYS A 44 -8.596 4.359 -5.625 1.00 0.00 C ATOM 684 C LYS A 44 -7.243 3.658 -5.682 1.00 0.00 C ATOM 685 O LYS A 44 -6.890 2.888 -4.787 1.00 0.00 O ATOM 686 CB LYS A 44 -8.568 5.448 -4.551 1.00 0.00 C ATOM 687 CG LYS A 44 -7.790 6.690 -4.958 1.00 0.00 C ATOM 688 CD LYS A 44 -8.681 7.924 -5.007 1.00 0.00 C ATOM 689 CE LYS A 44 -8.379 8.876 -3.860 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.565 10.042 -4.304 1.00 0.00 N ATOM 0 H LYS A 44 -9.491 2.817 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.791 4.806 -6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.592 5.734 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.129 5.037 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.976 6.857 -4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.336 6.530 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.538 8.440 -5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.727 7.621 -4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.314 9.230 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.847 8.340 -3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.381 10.666 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.661 9.706 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.083 10.569 -5.036 1.00 0.00 H new ATOM 704 N GLU A 45 -6.472 3.974 -6.717 1.00 0.00 N ATOM 705 CA GLU A 45 -5.137 3.414 -6.886 1.00 0.00 C ATOM 706 C GLU A 45 -4.080 4.420 -6.432 1.00 0.00 C ATOM 707 O GLU A 45 -4.390 5.605 -6.296 1.00 0.00 O ATOM 708 CB GLU A 45 -4.915 3.044 -8.353 1.00 0.00 C ATOM 709 CG GLU A 45 -3.686 2.183 -8.584 1.00 0.00 C ATOM 710 CD GLU A 45 -3.823 1.285 -9.798 1.00 0.00 C ATOM 711 OE1 GLU A 45 -4.337 0.157 -9.646 1.00 0.00 O ATOM 712 OE2 GLU A 45 -3.417 1.709 -10.899 1.00 0.00 O ATOM 0 H GLU A 45 -6.752 4.619 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.048 2.517 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.793 2.515 -8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.823 3.958 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.815 2.826 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.506 1.569 -7.701 1.00 0.00 H new ATOM 719 N GLY A 46 -2.834 3.992 -6.224 1.00 0.00 N ATOM 720 CA GLY A 46 -1.824 4.963 -5.829 1.00 0.00 C ATOM 721 C GLY A 46 -0.610 4.403 -5.106 1.00 0.00 C ATOM 722 O GLY A 46 -0.608 3.256 -4.659 1.00 0.00 O ATOM 0 H GLY A 46 -2.514 3.028 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.481 5.486 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.295 5.706 -5.186 1.00 0.00 H new ATOM 726 N LEU A 47 0.427 5.234 -4.991 1.00 0.00 N ATOM 727 CA LEU A 47 1.665 4.846 -4.326 1.00 0.00 C ATOM 728 C LEU A 47 1.514 4.892 -2.800 1.00 0.00 C ATOM 729 O LEU A 47 0.748 5.698 -2.271 1.00 0.00 O ATOM 730 CB LEU A 47 2.803 5.775 -4.771 1.00 0.00 C ATOM 731 CG LEU A 47 3.016 5.878 -6.284 1.00 0.00 C ATOM 732 CD1 LEU A 47 2.893 7.326 -6.750 1.00 0.00 C ATOM 733 CD2 LEU A 47 4.375 5.310 -6.661 1.00 0.00 C ATOM 0 H LEU A 47 0.430 6.187 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 47 1.900 3.820 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.607 6.774 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.730 5.430 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 47 2.242 5.295 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.048 7.376 -7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.899 7.703 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.644 7.935 -6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.516 5.388 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.158 5.871 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.427 4.263 -6.364 1.00 0.00 H new ATOM 745 N ILE A 48 2.242 4.028 -2.102 1.00 0.00 N ATOM 746 CA ILE A 48 2.177 3.988 -0.636 1.00 0.00 C ATOM 747 C ILE A 48 3.507 3.614 -0.004 1.00 0.00 C ATOM 748 O ILE A 48 4.382 3.055 -0.669 1.00 0.00 O ATOM 749 CB ILE A 48 1.124 2.980 -0.120 1.00 0.00 C ATOM 750 CG1 ILE A 48 0.834 1.881 -1.149 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.144 3.706 0.279 1.00 0.00 C ATOM 752 CD1 ILE A 48 1.394 0.535 -0.740 1.00 0.00 C ATOM 0 H ILE A 48 2.880 3.349 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 48 1.899 5.001 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 48 1.535 2.487 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.244 1.794 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.258 2.169 -2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.877 2.985 0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.080 4.423 1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.549 4.233 -0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.159 -0.205 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.476 0.610 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.951 0.230 0.208 1.00 0.00 H new ATOM 764 N PRO A 49 3.596 3.721 1.341 1.00 0.00 N ATOM 765 CA PRO A 49 4.792 3.324 2.073 1.00 0.00 C ATOM 766 C PRO A 49 5.050 1.821 2.049 1.00 0.00 C ATOM 767 O PRO A 49 4.160 1.021 2.330 1.00 0.00 O ATOM 768 CB PRO A 49 4.524 3.788 3.503 1.00 0.00 C ATOM 769 CG PRO A 49 3.041 3.801 3.617 1.00 0.00 C ATOM 770 CD PRO A 49 2.525 4.178 2.256 1.00 0.00 C ATOM 0 HA PRO A 49 5.682 3.764 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.972 3.112 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.945 4.777 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.664 2.824 3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.714 4.517 4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.575 3.690 2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.358 5.252 2.173 1.00 0.00 H new ATOM 778 N SER A 50 6.259 1.451 1.648 1.00 0.00 N ATOM 779 CA SER A 50 6.664 0.051 1.581 1.00 0.00 C ATOM 780 C SER A 50 6.990 -0.467 2.983 1.00 0.00 C ATOM 781 O SER A 50 6.663 -1.598 3.337 1.00 0.00 O ATOM 782 CB SER A 50 7.866 -0.111 0.653 1.00 0.00 C ATOM 783 OG SER A 50 7.924 -1.415 0.111 1.00 0.00 O ATOM 0 H SER A 50 6.984 2.108 1.361 1.00 0.00 H new ATOM 0 HA SER A 50 5.840 -0.536 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.806 0.618 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.784 0.098 1.203 1.00 0.00 H new ATOM 0 HG SER A 50 7.207 -1.528 -0.547 1.00 0.00 H new ATOM 789 N ASN A 51 7.668 0.370 3.759 1.00 0.00 N ATOM 790 CA ASN A 51 8.084 -0.010 5.109 1.00 0.00 C ATOM 791 C ASN A 51 6.912 -0.074 6.100 1.00 0.00 C ATOM 792 O ASN A 51 7.050 -0.628 7.190 1.00 0.00 O ATOM 793 CB ASN A 51 9.149 0.975 5.601 1.00 0.00 C ATOM 794 CG ASN A 51 8.642 2.395 5.724 1.00 0.00 C ATOM 795 OD1 ASN A 51 8.180 2.807 6.786 1.00 0.00 O ATOM 796 ND2 ASN A 51 8.744 3.157 4.641 1.00 0.00 N ATOM 0 H ASN A 51 7.942 1.312 3.481 1.00 0.00 H new ATOM 0 HA ASN A 51 8.496 -1.018 5.058 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.519 0.644 6.571 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.995 0.957 4.914 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.432 4.128 4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.134 2.771 3.781 1.00 0.00 H new ATOM 803 N TYR A 52 5.744 0.435 5.700 1.00 0.00 N ATOM 804 CA TYR A 52 4.551 0.377 6.552 1.00 0.00 C ATOM 805 C TYR A 52 3.729 -0.874 6.224 1.00 0.00 C ATOM 806 O TYR A 52 2.756 -1.230 6.930 1.00 0.00 O ATOM 807 CB TYR A 52 3.674 1.619 6.337 1.00 0.00 C ATOM 808 CG TYR A 52 4.254 2.906 6.887 1.00 0.00 C ATOM 809 CD1 TYR A 52 5.552 3.295 6.589 1.00 0.00 C ATOM 810 CD2 TYR A 52 3.496 3.733 7.704 1.00 0.00 C ATOM 811 CE1 TYR A 52 6.079 4.471 7.090 1.00 0.00 C ATOM 812 CE2 TYR A 52 4.014 4.910 8.210 1.00 0.00 C ATOM 813 CZ TYR A 52 5.306 5.274 7.901 1.00 0.00 C ATOM 814 OH TYR A 52 5.823 6.448 8.406 1.00 0.00 O ATOM 0 H TYR A 52 5.598 0.889 4.798 1.00 0.00 H new ATOM 0 HA TYR A 52 4.878 0.341 7.591 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.499 1.743 5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.703 1.446 6.801 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.161 2.668 5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.482 3.452 7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.091 4.759 6.847 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.409 5.541 8.844 1.00 0.00 H new ATOM 0 HH TYR A 52 5.146 6.893 8.957 1.00 0.00 H new ATOM 824 N ILE A 53 4.205 -1.631 5.239 1.00 0.00 N ATOM 825 CA ILE A 53 3.552 -2.861 4.857 1.00 0.00 C ATOM 826 C ILE A 53 4.557 -3.939 4.511 1.00 0.00 C ATOM 827 O ILE A 53 5.735 -3.668 4.282 1.00 0.00 O ATOM 828 CB ILE A 53 2.601 -2.625 3.638 1.00 0.00 C ATOM 829 CG1 ILE A 53 3.004 -3.453 2.404 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.551 -1.142 3.250 1.00 0.00 C ATOM 831 CD1 ILE A 53 4.276 -2.975 1.742 1.00 0.00 C ATOM 0 H ILE A 53 5.040 -1.407 4.697 1.00 0.00 H new ATOM 0 HA ILE A 53 2.967 -3.196 5.713 1.00 0.00 H new ATOM 0 HB ILE A 53 1.614 -2.953 3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.128 -4.494 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.193 -3.423 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.882 -1.011 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.185 -0.557 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.551 -0.803 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.497 -3.605 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.150 -1.943 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.100 -3.031 2.454 1.00 0.00 H new ATOM 843 N GLU A 54 4.066 -5.165 4.461 1.00 0.00 N ATOM 844 CA GLU A 54 4.862 -6.324 4.139 1.00 0.00 C ATOM 845 C GLU A 54 4.080 -7.265 3.222 1.00 0.00 C ATOM 846 O GLU A 54 2.860 -7.394 3.362 1.00 0.00 O ATOM 847 CB GLU A 54 5.223 -7.051 5.439 1.00 0.00 C ATOM 848 CG GLU A 54 6.691 -7.426 5.550 1.00 0.00 C ATOM 849 CD GLU A 54 7.554 -6.266 6.006 1.00 0.00 C ATOM 850 OE1 GLU A 54 7.220 -5.649 7.040 1.00 0.00 O ATOM 851 OE2 GLU A 54 8.561 -5.972 5.330 1.00 0.00 O ATOM 0 H GLU A 54 3.087 -5.381 4.647 1.00 0.00 H new ATOM 0 HA GLU A 54 5.769 -6.010 3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.956 -6.417 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.620 -7.956 5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.799 -8.253 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.046 -7.780 4.582 1.00 0.00 H new ATOM 858 N MET A 55 4.770 -7.973 2.339 1.00 0.00 N ATOM 859 CA MET A 55 4.101 -8.895 1.424 1.00 0.00 C ATOM 860 C MET A 55 3.282 -9.932 2.169 1.00 0.00 C ATOM 861 O MET A 55 3.805 -10.691 2.984 1.00 0.00 O ATOM 862 CB MET A 55 5.130 -9.587 0.530 1.00 0.00 C ATOM 863 CG MET A 55 6.144 -10.416 1.303 1.00 0.00 C ATOM 864 SD MET A 55 7.849 -9.974 0.917 1.00 0.00 S ATOM 865 CE MET A 55 7.882 -10.271 -0.849 1.00 0.00 C ATOM 0 H MET A 55 5.784 -7.930 2.235 1.00 0.00 H new ATOM 0 HA MET A 55 3.417 -8.311 0.808 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.609 -10.232 -0.178 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.658 -8.833 -0.054 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.973 -10.286 2.372 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.988 -11.472 1.081 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.909 -10.445 -1.170 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.276 -11.147 -1.082 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.481 -9.403 -1.372 1.00 0.00 H new