USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 377 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-3.2) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -2.91! K(o=-2.9!,f=-0.93) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -6.74! C(o=-6.7!,f=-13!) USER MOD Single : A 35 ASN : amide:sc= -4.4 K(o=-4.4,f=-2.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= -0.06 (180deg=-0.274) USER MOD Single : A 50 SER OG : rot -82:sc= 0.788 USER MOD Single : A 51 ASN : amide:sc= -2.57 K(o=-2.6,f=-0.83) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -1.211 -8.913 -2.209 1.00 0.00 N ATOM 21 CA GLU A 2 -1.918 -8.294 -1.101 1.00 0.00 C ATOM 22 C GLU A 2 -0.939 -7.906 0.005 1.00 0.00 C ATOM 23 O GLU A 2 0.033 -8.614 0.258 1.00 0.00 O ATOM 24 CB GLU A 2 -2.997 -9.206 -0.516 1.00 0.00 C ATOM 25 CG GLU A 2 -4.345 -9.051 -1.198 1.00 0.00 C ATOM 26 CD GLU A 2 -5.350 -10.094 -0.751 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.991 -10.944 0.091 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.496 -10.060 -1.245 1.00 0.00 O ATOM 0 HA GLU A 2 -2.406 -7.405 -1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.672 -10.243 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.108 -8.992 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.741 -8.057 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.212 -9.120 -2.278 1.00 0.00 H new ATOM 35 N ALA A 3 -1.221 -6.802 0.675 1.00 0.00 N ATOM 36 CA ALA A 3 -0.368 -6.341 1.765 1.00 0.00 C ATOM 37 C ALA A 3 -1.182 -5.738 2.899 1.00 0.00 C ATOM 38 O ALA A 3 -2.338 -5.349 2.741 1.00 0.00 O ATOM 39 CB ALA A 3 0.644 -5.323 1.256 1.00 0.00 C ATOM 0 H ALA A 3 -2.029 -6.208 0.487 1.00 0.00 H new ATOM 0 HA ALA A 3 0.161 -7.211 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.272 -4.990 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.267 -5.782 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.118 -4.468 0.832 1.00 0.00 H new ATOM 45 N ILE A 4 -0.522 -5.684 4.054 1.00 0.00 N ATOM 46 CA ILE A 4 -1.149 -5.139 5.252 1.00 0.00 C ATOM 47 C ILE A 4 -0.362 -3.957 5.816 1.00 0.00 C ATOM 48 O ILE A 4 0.862 -4.008 5.940 1.00 0.00 O ATOM 49 CB ILE A 4 -1.306 -6.193 6.376 1.00 0.00 C ATOM 50 CG1 ILE A 4 -2.128 -5.633 7.540 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.052 -6.690 6.857 1.00 0.00 C ATOM 52 CD1 ILE A 4 -3.524 -6.214 7.618 1.00 0.00 C ATOM 0 H ILE A 4 0.437 -6.008 4.184 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.138 -4.810 4.932 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.845 -7.045 5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.605 -5.834 8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.197 -4.550 7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.089 -7.429 7.646 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.588 -7.146 6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.630 -5.851 7.245 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.054 -5.776 8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.063 -5.991 6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.462 -7.294 7.749 1.00 0.00 H new ATOM 64 N ALA A 5 -1.084 -2.906 6.194 1.00 0.00 N ATOM 65 CA ALA A 5 -0.471 -1.711 6.765 1.00 0.00 C ATOM 66 C ALA A 5 0.136 -1.977 8.137 1.00 0.00 C ATOM 67 O ALA A 5 -0.571 -2.353 9.072 1.00 0.00 O ATOM 68 CB ALA A 5 -1.494 -0.590 6.845 1.00 0.00 C ATOM 0 H ALA A 5 -2.100 -2.858 6.114 1.00 0.00 H new ATOM 0 HA ALA A 5 0.344 -1.411 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.028 0.298 7.272 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.862 -0.361 5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.327 -0.902 7.475 1.00 0.00 H new ATOM 74 N LYS A 6 1.430 -1.703 8.275 1.00 0.00 N ATOM 75 CA LYS A 6 2.095 -1.862 9.569 1.00 0.00 C ATOM 76 C LYS A 6 2.005 -0.567 10.370 1.00 0.00 C ATOM 77 O LYS A 6 2.120 -0.557 11.597 1.00 0.00 O ATOM 78 CB LYS A 6 3.553 -2.285 9.398 1.00 0.00 C ATOM 79 CG LYS A 6 4.039 -3.242 10.477 1.00 0.00 C ATOM 80 CD LYS A 6 3.419 -4.622 10.320 1.00 0.00 C ATOM 81 CE LYS A 6 3.189 -5.297 11.659 1.00 0.00 C ATOM 82 NZ LYS A 6 4.470 -5.732 12.282 1.00 0.00 N ATOM 0 H LYS A 6 2.033 -1.375 7.521 1.00 0.00 H new ATOM 0 HA LYS A 6 1.583 -2.653 10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.674 -2.758 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.184 -1.396 9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.125 -3.323 10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.791 -2.840 11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.470 -4.535 9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.071 -5.245 9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.673 -4.610 12.329 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.538 -6.161 11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.274 -6.189 13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.950 -6.407 11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.081 -4.904 12.433 1.00 0.00 H new ATOM 96 N HIS A 7 1.779 0.517 9.642 1.00 0.00 N ATOM 97 CA HIS A 7 1.646 1.833 10.247 1.00 0.00 C ATOM 98 C HIS A 7 0.767 2.717 9.364 1.00 0.00 C ATOM 99 O HIS A 7 0.182 2.271 8.379 1.00 0.00 O ATOM 100 CB HIS A 7 3.022 2.455 10.494 1.00 0.00 C ATOM 101 CG HIS A 7 3.804 1.723 11.538 1.00 0.00 C ATOM 102 ND1 HIS A 7 3.507 1.785 12.883 1.00 0.00 N ATOM 103 CD2 HIS A 7 4.860 0.883 11.427 1.00 0.00 C ATOM 104 CE1 HIS A 7 4.342 1.014 13.551 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.175 0.456 12.692 1.00 0.00 N ATOM 0 H HIS A 7 1.684 0.510 8.626 1.00 0.00 H new ATOM 0 HA HIS A 7 1.161 1.739 11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.586 2.463 9.561 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.898 3.494 10.800 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.361 0.601 10.513 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.344 0.864 14.621 1.00 0.00 H new ATOM 0 HE2 HIS A 7 5.930 -0.188 12.930 1.00 0.00 H new ATOM 114 N ASP A 8 0.560 3.930 9.858 1.00 0.00 N ATOM 115 CA ASP A 8 -0.344 4.855 9.178 1.00 0.00 C ATOM 116 C ASP A 8 0.400 5.591 8.067 1.00 0.00 C ATOM 117 O ASP A 8 1.600 5.837 8.182 1.00 0.00 O ATOM 118 CB ASP A 8 -0.941 5.857 10.172 1.00 0.00 C ATOM 119 CG ASP A 8 0.120 6.557 10.999 1.00 0.00 C ATOM 120 OD1 ASP A 8 1.051 7.136 10.402 1.00 0.00 O ATOM 121 OD2 ASP A 8 0.018 6.528 12.244 1.00 0.00 O ATOM 0 H ASP A 8 0.993 4.293 10.707 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.160 4.282 8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.522 6.601 9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.631 5.337 10.837 1.00 0.00 H new ATOM 126 N PHE A 9 -0.297 5.906 6.972 1.00 0.00 N ATOM 127 CA PHE A 9 0.365 6.588 5.864 1.00 0.00 C ATOM 128 C PHE A 9 -0.489 7.686 5.241 1.00 0.00 C ATOM 129 O PHE A 9 -1.553 7.426 4.680 1.00 0.00 O ATOM 130 CB PHE A 9 0.753 5.619 4.747 1.00 0.00 C ATOM 131 CG PHE A 9 1.016 6.293 3.418 1.00 0.00 C ATOM 132 CD1 PHE A 9 1.783 7.450 3.346 1.00 0.00 C ATOM 133 CD2 PHE A 9 0.495 5.771 2.246 1.00 0.00 C ATOM 134 CE1 PHE A 9 2.024 8.064 2.130 1.00 0.00 C ATOM 135 CE2 PHE A 9 0.733 6.383 1.032 1.00 0.00 C ATOM 136 CZ PHE A 9 1.498 7.528 0.972 1.00 0.00 C ATOM 0 H PHE A 9 -1.288 5.707 6.832 1.00 0.00 H new ATOM 0 HA PHE A 9 1.255 7.034 6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.645 5.070 5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.044 4.887 4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.195 7.874 4.249 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.105 4.874 2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.623 8.962 2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.319 5.964 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.685 8.005 0.021 1.00 0.00 H new ATOM 146 N SER A 10 0.071 8.881 5.227 1.00 0.00 N ATOM 147 CA SER A 10 -0.547 10.023 4.576 1.00 0.00 C ATOM 148 C SER A 10 0.357 10.433 3.422 1.00 0.00 C ATOM 149 O SER A 10 1.574 10.535 3.567 1.00 0.00 O ATOM 150 CB SER A 10 -0.767 11.159 5.582 1.00 0.00 C ATOM 151 OG SER A 10 -1.679 10.785 6.608 1.00 0.00 O ATOM 0 H SER A 10 0.968 9.088 5.667 1.00 0.00 H new ATOM 0 HA SER A 10 -1.533 9.771 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.187 11.440 6.028 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.146 12.038 5.061 1.00 0.00 H new ATOM 0 HG SER A 10 -1.794 11.532 7.232 1.00 0.00 H new ATOM 157 N ALA A 11 -0.258 10.578 2.256 1.00 0.00 N ATOM 158 CA ALA A 11 0.446 10.882 1.024 1.00 0.00 C ATOM 159 C ALA A 11 1.347 12.103 1.111 1.00 0.00 C ATOM 160 O ALA A 11 1.018 13.106 1.741 1.00 0.00 O ATOM 161 CB ALA A 11 -0.572 11.101 -0.086 1.00 0.00 C ATOM 0 H ALA A 11 -1.267 10.487 2.141 1.00 0.00 H new ATOM 0 HA ALA A 11 1.094 10.030 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.052 11.330 -1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.168 10.198 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.226 11.932 0.179 1.00 0.00 H new ATOM 167 N THR A 12 2.528 11.954 0.511 1.00 0.00 N ATOM 168 CA THR A 12 3.538 12.999 0.508 1.00 0.00 C ATOM 169 C THR A 12 3.673 13.569 -0.908 1.00 0.00 C ATOM 170 O THR A 12 4.382 14.542 -1.153 1.00 0.00 O ATOM 171 CB THR A 12 4.853 12.469 1.131 1.00 0.00 C ATOM 172 OG1 THR A 12 4.809 12.592 2.544 1.00 0.00 O ATOM 173 CG2 THR A 12 6.123 13.155 0.654 1.00 0.00 C ATOM 0 H THR A 12 2.806 11.106 0.016 1.00 0.00 H new ATOM 0 HA THR A 12 3.243 13.837 1.140 1.00 0.00 H new ATOM 0 HB THR A 12 4.906 11.431 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.644 12.253 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.985 12.710 1.150 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.221 13.030 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.075 14.217 0.894 1.00 0.00 H new ATOM 181 N ALA A 13 2.907 12.988 -1.817 1.00 0.00 N ATOM 182 CA ALA A 13 2.873 13.458 -3.192 1.00 0.00 C ATOM 183 C ALA A 13 1.527 13.103 -3.803 1.00 0.00 C ATOM 184 O ALA A 13 0.784 12.284 -3.267 1.00 0.00 O ATOM 185 CB ALA A 13 4.015 12.857 -3.995 1.00 0.00 C ATOM 0 H ALA A 13 2.300 12.190 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 13 2.999 14.541 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.970 13.222 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.966 13.147 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.929 11.770 -3.993 1.00 0.00 H new ATOM 191 N ASP A 14 1.226 13.733 -4.933 1.00 0.00 N ATOM 192 CA ASP A 14 -0.011 13.507 -5.627 1.00 0.00 C ATOM 193 C ASP A 14 -0.028 12.129 -6.237 1.00 0.00 C ATOM 194 O ASP A 14 0.997 11.637 -6.703 1.00 0.00 O ATOM 195 CB ASP A 14 -0.218 14.545 -6.734 1.00 0.00 C ATOM 196 CG ASP A 14 0.960 14.635 -7.683 1.00 0.00 C ATOM 197 OD1 ASP A 14 2.084 14.912 -7.211 1.00 0.00 O ATOM 198 OD2 ASP A 14 0.760 14.431 -8.898 1.00 0.00 O ATOM 0 H ASP A 14 1.840 14.412 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.818 13.596 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.115 14.293 -7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.390 15.522 -6.282 1.00 0.00 H new ATOM 203 N ASP A 15 -1.207 11.545 -6.278 1.00 0.00 N ATOM 204 CA ASP A 15 -1.408 10.218 -6.875 1.00 0.00 C ATOM 205 C ASP A 15 -1.159 9.076 -5.891 1.00 0.00 C ATOM 206 O ASP A 15 -0.982 7.924 -6.278 1.00 0.00 O ATOM 207 CB ASP A 15 -0.436 9.999 -8.050 1.00 0.00 C ATOM 208 CG ASP A 15 -1.166 9.897 -9.373 1.00 0.00 C ATOM 209 OD1 ASP A 15 -2.178 10.606 -9.547 1.00 0.00 O ATOM 210 OD2 ASP A 15 -0.725 9.110 -10.239 1.00 0.00 O ATOM 0 H ASP A 15 -2.057 11.965 -5.903 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.449 10.203 -7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.276 10.823 -8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.139 9.089 -7.881 1.00 0.00 H new ATOM 215 N GLU A 16 -1.124 9.440 -4.601 1.00 0.00 N ATOM 216 CA GLU A 16 -0.873 8.495 -3.523 1.00 0.00 C ATOM 217 C GLU A 16 -2.155 8.083 -2.807 1.00 0.00 C ATOM 218 O GLU A 16 -3.203 8.716 -2.948 1.00 0.00 O ATOM 219 CB GLU A 16 0.100 9.108 -2.514 1.00 0.00 C ATOM 220 CG GLU A 16 1.535 8.650 -2.706 1.00 0.00 C ATOM 221 CD GLU A 16 2.253 9.403 -3.804 1.00 0.00 C ATOM 222 OE1 GLU A 16 1.782 9.365 -4.960 1.00 0.00 O ATOM 223 OE2 GLU A 16 3.295 10.018 -3.509 1.00 0.00 O ATOM 0 H GLU A 16 -1.270 10.399 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.440 7.600 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.059 10.194 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.224 8.851 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.079 8.776 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.543 7.585 -2.938 1.00 0.00 H new ATOM 230 N LEU A 17 -2.047 7.017 -2.026 1.00 0.00 N ATOM 231 CA LEU A 17 -3.191 6.504 -1.285 1.00 0.00 C ATOM 232 C LEU A 17 -2.934 6.492 0.221 1.00 0.00 C ATOM 233 O LEU A 17 -1.865 6.090 0.678 1.00 0.00 O ATOM 234 CB LEU A 17 -3.514 5.095 -1.763 1.00 0.00 C ATOM 235 CG LEU A 17 -4.707 4.443 -1.077 1.00 0.00 C ATOM 236 CD1 LEU A 17 -5.690 3.903 -2.108 1.00 0.00 C ATOM 237 CD2 LEU A 17 -4.210 3.347 -0.150 1.00 0.00 C ATOM 0 H LEU A 17 -1.183 6.493 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.036 7.166 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.702 5.125 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.637 4.465 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.241 5.186 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.535 3.441 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.047 4.721 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.192 3.160 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.059 2.876 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.667 2.600 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.547 3.778 0.600 1.00 0.00 H new ATOM 249 N SER A 18 -3.921 6.953 0.984 1.00 0.00 N ATOM 250 CA SER A 18 -3.803 6.991 2.439 1.00 0.00 C ATOM 251 C SER A 18 -4.307 5.685 3.045 1.00 0.00 C ATOM 252 O SER A 18 -5.159 5.016 2.458 1.00 0.00 O ATOM 253 CB SER A 18 -4.589 8.163 3.034 1.00 0.00 C ATOM 254 OG SER A 18 -3.873 9.379 2.903 1.00 0.00 O ATOM 0 H SER A 18 -4.808 7.304 0.622 1.00 0.00 H new ATOM 0 HA SER A 18 -2.748 7.124 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.553 8.250 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.794 7.970 4.087 1.00 0.00 H new ATOM 0 HG SER A 18 -4.398 10.111 3.289 1.00 0.00 H new ATOM 260 N PHE A 19 -3.793 5.318 4.217 1.00 0.00 N ATOM 261 CA PHE A 19 -4.226 4.083 4.868 1.00 0.00 C ATOM 262 C PHE A 19 -3.823 4.036 6.343 1.00 0.00 C ATOM 263 O PHE A 19 -2.949 4.782 6.786 1.00 0.00 O ATOM 264 CB PHE A 19 -3.676 2.865 4.119 1.00 0.00 C ATOM 265 CG PHE A 19 -2.193 2.662 4.260 1.00 0.00 C ATOM 266 CD1 PHE A 19 -1.663 2.116 5.414 1.00 0.00 C ATOM 267 CD2 PHE A 19 -1.333 2.999 3.231 1.00 0.00 C ATOM 268 CE1 PHE A 19 -0.303 1.912 5.541 1.00 0.00 C ATOM 269 CE2 PHE A 19 0.027 2.794 3.350 1.00 0.00 C ATOM 270 CZ PHE A 19 0.542 2.250 4.507 1.00 0.00 C ATOM 0 H PHE A 19 -3.088 5.848 4.729 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.315 4.060 4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.188 1.972 4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.917 2.966 3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.321 1.845 6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.730 3.428 2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.098 1.488 6.450 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.687 3.060 2.537 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.606 2.089 4.603 1.00 0.00 H new ATOM 280 N ARG A 20 -4.503 3.173 7.103 1.00 0.00 N ATOM 281 CA ARG A 20 -4.261 3.041 8.543 1.00 0.00 C ATOM 282 C ARG A 20 -3.840 1.616 8.928 1.00 0.00 C ATOM 283 O ARG A 20 -4.134 0.653 8.218 1.00 0.00 O ATOM 284 CB ARG A 20 -5.540 3.452 9.288 1.00 0.00 C ATOM 285 CG ARG A 20 -5.592 3.063 10.760 1.00 0.00 C ATOM 286 CD ARG A 20 -6.600 1.949 11.009 1.00 0.00 C ATOM 287 NE ARG A 20 -6.641 1.548 12.412 1.00 0.00 N ATOM 288 CZ ARG A 20 -7.545 0.710 12.915 1.00 0.00 C ATOM 289 NH1 ARG A 20 -8.486 0.195 12.134 1.00 0.00 N ATOM 290 NH2 ARG A 20 -7.511 0.391 14.201 1.00 0.00 N ATOM 0 H ARG A 20 -5.228 2.553 6.743 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.434 3.693 8.825 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.653 4.533 9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.395 3.005 8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.604 2.740 11.087 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.857 3.935 11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.591 2.281 10.698 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.346 1.086 10.393 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.937 1.932 13.043 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.518 0.441 11.145 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.177 -0.447 12.523 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.792 0.788 14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.204 -0.251 14.586 1.00 0.00 H new ATOM 304 N LYS A 21 -3.149 1.502 10.066 1.00 0.00 N ATOM 305 CA LYS A 21 -2.678 0.209 10.572 1.00 0.00 C ATOM 306 C LYS A 21 -3.806 -0.815 10.630 1.00 0.00 C ATOM 307 O LYS A 21 -4.891 -0.543 11.144 1.00 0.00 O ATOM 308 CB LYS A 21 -2.035 0.351 11.960 1.00 0.00 C ATOM 309 CG LYS A 21 -1.312 1.670 12.194 1.00 0.00 C ATOM 310 CD LYS A 21 -0.984 1.869 13.666 1.00 0.00 C ATOM 311 CE LYS A 21 0.436 2.375 13.857 1.00 0.00 C ATOM 312 NZ LYS A 21 0.606 3.094 15.151 1.00 0.00 N ATOM 0 H LYS A 21 -2.902 2.295 10.658 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.923 -0.147 9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.810 0.238 12.718 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.328 -0.466 12.103 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.393 1.692 11.609 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.933 2.494 11.843 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.686 2.579 14.104 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.110 0.926 14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.128 1.534 13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.696 3.042 13.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.589 3.422 15.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.036 3.912 15.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.383 2.451 15.937 1.00 0.00 H new ATOM 326 N GLY A 22 -3.512 -2.014 10.132 1.00 0.00 N ATOM 327 CA GLY A 22 -4.474 -3.098 10.152 1.00 0.00 C ATOM 328 C GLY A 22 -5.311 -3.185 8.896 1.00 0.00 C ATOM 329 O GLY A 22 -6.058 -4.145 8.716 1.00 0.00 O ATOM 0 H GLY A 22 -2.614 -2.253 9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.945 -4.040 10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.134 -2.972 11.011 1.00 0.00 H new ATOM 333 N GLN A 23 -5.206 -2.190 8.027 1.00 0.00 N ATOM 334 CA GLN A 23 -5.990 -2.173 6.802 1.00 0.00 C ATOM 335 C GLN A 23 -5.433 -3.060 5.689 1.00 0.00 C ATOM 336 O GLN A 23 -4.247 -3.387 5.699 1.00 0.00 O ATOM 337 CB GLN A 23 -6.053 -0.758 6.229 1.00 0.00 C ATOM 338 CG GLN A 23 -7.059 -0.586 5.104 1.00 0.00 C ATOM 339 CD GLN A 23 -8.260 0.247 5.509 1.00 0.00 C ATOM 340 OE1 GLN A 23 -9.281 -0.290 5.945 1.00 0.00 O ATOM 341 NE2 GLN A 23 -8.146 1.561 5.368 1.00 0.00 N ATOM 0 H GLN A 23 -4.588 -1.387 8.147 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.968 -2.552 7.098 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.300 -0.064 7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.064 -0.482 5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.567 -0.116 4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.399 -1.568 4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.282 1.962 5.003 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.922 2.171 5.625 1.00 0.00 H new ATOM 350 N ILE A 24 -6.274 -3.475 4.751 1.00 0.00 N ATOM 351 CA ILE A 24 -5.833 -4.345 3.671 1.00 0.00 C ATOM 352 C ILE A 24 -5.603 -3.582 2.365 1.00 0.00 C ATOM 353 O ILE A 24 -6.544 -3.143 1.707 1.00 0.00 O ATOM 354 CB ILE A 24 -6.842 -5.495 3.445 1.00 0.00 C ATOM 355 CG1 ILE A 24 -6.282 -6.513 2.449 1.00 0.00 C ATOM 356 CG2 ILE A 24 -8.189 -4.960 2.981 1.00 0.00 C ATOM 357 CD1 ILE A 24 -6.013 -7.868 3.070 1.00 0.00 C ATOM 0 H ILE A 24 -7.262 -3.224 4.717 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.875 -4.765 3.978 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.999 -6.001 4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.986 -6.631 1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.356 -6.125 2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.878 -5.791 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.593 -4.286 3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.062 -4.419 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.618 -8.544 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.286 -7.761 3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.941 -8.275 3.470 1.00 0.00 H new ATOM 369 N LEU A 25 -4.332 -3.421 2.006 1.00 0.00 N ATOM 370 CA LEU A 25 -3.957 -2.714 0.786 1.00 0.00 C ATOM 371 C LEU A 25 -3.720 -3.703 -0.346 1.00 0.00 C ATOM 372 O LEU A 25 -3.014 -4.693 -0.169 1.00 0.00 O ATOM 373 CB LEU A 25 -2.675 -1.911 1.008 1.00 0.00 C ATOM 374 CG LEU A 25 -2.866 -0.497 1.545 1.00 0.00 C ATOM 375 CD1 LEU A 25 -1.522 0.188 1.735 1.00 0.00 C ATOM 376 CD2 LEU A 25 -3.740 0.307 0.609 1.00 0.00 C ATOM 0 H LEU A 25 -3.541 -3.773 2.546 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.772 -2.040 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.039 -2.461 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.137 -1.851 0.062 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.360 -0.560 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.678 1.196 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.921 -0.381 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.002 0.241 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.867 1.314 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.269 0.360 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.714 -0.173 0.518 1.00 0.00 H new ATOM 388 N LYS A 26 -4.275 -3.424 -1.520 1.00 0.00 N ATOM 389 CA LYS A 26 -4.101 -4.292 -2.673 1.00 0.00 C ATOM 390 C LYS A 26 -2.945 -3.814 -3.542 1.00 0.00 C ATOM 391 O LYS A 26 -2.970 -2.698 -4.058 1.00 0.00 O ATOM 392 CB LYS A 26 -5.395 -4.318 -3.487 1.00 0.00 C ATOM 393 CG LYS A 26 -5.315 -5.101 -4.785 1.00 0.00 C ATOM 394 CD LYS A 26 -5.955 -6.468 -4.640 1.00 0.00 C ATOM 395 CE LYS A 26 -5.486 -7.421 -5.724 1.00 0.00 C ATOM 396 NZ LYS A 26 -5.298 -8.799 -5.200 1.00 0.00 N ATOM 0 H LYS A 26 -4.850 -2.600 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.868 -5.298 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.187 -4.744 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.685 -3.292 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.813 -4.545 -5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.272 -5.214 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.713 -6.882 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.040 -6.370 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.214 -7.436 -6.535 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.547 -7.060 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.977 -9.422 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.585 -8.788 -4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.200 -9.152 -4.821 1.00 0.00 H new ATOM 410 N ILE A 27 -2.005 -4.715 -3.807 1.00 0.00 N ATOM 411 CA ILE A 27 -0.875 -4.408 -4.676 1.00 0.00 C ATOM 412 C ILE A 27 -1.182 -4.711 -6.141 1.00 0.00 C ATOM 413 O ILE A 27 -1.447 -5.854 -6.512 1.00 0.00 O ATOM 414 CB ILE A 27 0.384 -5.203 -4.263 1.00 0.00 C ATOM 415 CG1 ILE A 27 0.499 -5.305 -2.738 1.00 0.00 C ATOM 416 CG2 ILE A 27 1.635 -4.559 -4.845 1.00 0.00 C ATOM 417 CD1 ILE A 27 1.197 -6.565 -2.274 1.00 0.00 C ATOM 0 H ILE A 27 -2.003 -5.664 -3.432 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.689 -3.340 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 27 0.289 -6.212 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.042 -4.438 -2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.499 -5.269 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.512 -5.132 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.565 -4.546 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.724 -3.538 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.245 -6.574 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.642 -7.437 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.207 -6.592 -2.682 1.00 0.00 H new ATOM 429 N LEU A 28 -1.105 -3.673 -6.969 1.00 0.00 N ATOM 430 CA LEU A 28 -1.334 -3.803 -8.409 1.00 0.00 C ATOM 431 C LEU A 28 0.001 -3.774 -9.146 1.00 0.00 C ATOM 432 O LEU A 28 0.221 -4.525 -10.096 1.00 0.00 O ATOM 433 CB LEU A 28 -2.244 -2.690 -8.974 1.00 0.00 C ATOM 434 CG LEU A 28 -3.018 -1.844 -7.960 1.00 0.00 C ATOM 435 CD1 LEU A 28 -3.800 -2.725 -7.004 1.00 0.00 C ATOM 436 CD2 LEU A 28 -2.091 -0.904 -7.208 1.00 0.00 C ATOM 0 H LEU A 28 -0.884 -2.724 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.842 -4.755 -8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.628 -2.020 -9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.964 -3.151 -9.650 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.732 -1.232 -8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.341 -2.100 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.509 -3.333 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.112 -3.376 -6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.669 -0.316 -6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.339 -1.485 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.599 -0.236 -7.915 1.00 0.00 H new ATOM 448 N ASN A 29 0.899 -2.917 -8.670 1.00 0.00 N ATOM 449 CA ASN A 29 2.226 -2.784 -9.260 1.00 0.00 C ATOM 450 C ASN A 29 3.249 -2.365 -8.209 1.00 0.00 C ATOM 451 O ASN A 29 2.977 -1.485 -7.388 1.00 0.00 O ATOM 452 CB ASN A 29 2.208 -1.767 -10.411 1.00 0.00 C ATOM 453 CG ASN A 29 1.342 -0.555 -10.135 1.00 0.00 C ATOM 454 OD1 ASN A 29 0.265 -0.662 -9.548 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.812 0.608 -10.566 1.00 0.00 N ATOM 0 H ASN A 29 0.730 -2.302 -7.874 1.00 0.00 H new ATOM 0 HA ASN A 29 2.515 -3.757 -9.656 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.228 -1.437 -10.609 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.851 -2.260 -11.315 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.275 1.462 -10.416 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.710 0.648 -11.048 1.00 0.00 H new ATOM 529 N ASN A 35 11.559 2.386 -3.442 1.00 0.00 N ATOM 530 CA ASN A 35 10.955 2.911 -2.217 1.00 0.00 C ATOM 531 C ASN A 35 9.452 3.192 -2.315 1.00 0.00 C ATOM 532 O ASN A 35 8.756 3.137 -1.301 1.00 0.00 O ATOM 533 CB ASN A 35 11.705 4.169 -1.753 1.00 0.00 C ATOM 534 CG ASN A 35 11.282 5.435 -2.477 1.00 0.00 C ATOM 535 OD1 ASN A 35 10.712 6.345 -1.869 1.00 0.00 O ATOM 536 ND2 ASN A 35 11.562 5.508 -3.773 1.00 0.00 N ATOM 0 HA ASN A 35 11.054 2.117 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.545 4.302 -0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.775 4.018 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.304 6.340 -4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.035 4.732 -4.237 1.00 0.00 H new ATOM 543 N TRP A 36 8.934 3.466 -3.504 1.00 0.00 N ATOM 544 CA TRP A 36 7.495 3.718 -3.643 1.00 0.00 C ATOM 545 C TRP A 36 6.809 2.584 -4.403 1.00 0.00 C ATOM 546 O TRP A 36 7.304 2.148 -5.443 1.00 0.00 O ATOM 547 CB TRP A 36 7.255 5.018 -4.390 1.00 0.00 C ATOM 548 CG TRP A 36 7.748 6.210 -3.642 1.00 0.00 C ATOM 549 CD1 TRP A 36 8.900 6.898 -3.873 1.00 0.00 C ATOM 550 CD2 TRP A 36 7.105 6.856 -2.535 1.00 0.00 C ATOM 551 NE1 TRP A 36 9.024 7.927 -2.973 1.00 0.00 N ATOM 552 CE2 TRP A 36 7.932 7.924 -2.142 1.00 0.00 C ATOM 553 CE3 TRP A 36 5.914 6.632 -1.840 1.00 0.00 C ATOM 554 CZ2 TRP A 36 7.605 8.766 -1.083 1.00 0.00 C ATOM 555 CZ3 TRP A 36 5.590 7.470 -0.791 1.00 0.00 C ATOM 556 CH2 TRP A 36 6.434 8.525 -0.421 1.00 0.00 C ATOM 0 H TRP A 36 9.468 3.520 -4.371 1.00 0.00 H new ATOM 0 HA TRP A 36 7.076 3.783 -2.639 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.751 4.972 -5.360 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.188 5.130 -4.582 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.613 6.668 -4.651 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.801 8.586 -2.929 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.259 5.819 -2.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.253 9.580 -0.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.671 7.309 -0.247 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.153 9.162 0.405 1.00 0.00 H new ATOM 567 N TYR A 37 5.679 2.096 -3.878 1.00 0.00 N ATOM 568 CA TYR A 37 4.918 1.005 -4.499 1.00 0.00 C ATOM 569 C TYR A 37 3.496 1.478 -4.819 1.00 0.00 C ATOM 570 O TYR A 37 3.048 2.497 -4.287 1.00 0.00 O ATOM 571 CB TYR A 37 4.860 -0.210 -3.558 1.00 0.00 C ATOM 572 CG TYR A 37 6.097 -1.093 -3.577 1.00 0.00 C ATOM 573 CD1 TYR A 37 7.305 -0.637 -4.084 1.00 0.00 C ATOM 574 CD2 TYR A 37 6.051 -2.391 -3.075 1.00 0.00 C ATOM 575 CE1 TYR A 37 8.426 -1.439 -4.093 1.00 0.00 C ATOM 576 CE2 TYR A 37 7.170 -3.202 -3.082 1.00 0.00 C ATOM 577 CZ TYR A 37 8.356 -2.719 -3.592 1.00 0.00 C ATOM 578 OH TYR A 37 9.483 -3.513 -3.604 1.00 0.00 O ATOM 0 H TYR A 37 5.267 2.445 -3.013 1.00 0.00 H new ATOM 0 HA TYR A 37 5.418 0.712 -5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.700 0.145 -2.540 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.994 -0.816 -3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.368 0.366 -4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.124 -2.771 -2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.357 -1.064 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.116 -4.207 -2.691 1.00 0.00 H new ATOM 0 HH TYR A 37 9.271 -4.387 -3.215 1.00 0.00 H new ATOM 588 N ARG A 38 2.784 0.752 -5.680 1.00 0.00 N ATOM 589 CA ARG A 38 1.418 1.140 -6.038 1.00 0.00 C ATOM 590 C ARG A 38 0.372 0.180 -5.470 1.00 0.00 C ATOM 591 O ARG A 38 0.404 -1.021 -5.743 1.00 0.00 O ATOM 592 CB ARG A 38 1.261 1.233 -7.562 1.00 0.00 C ATOM 593 CG ARG A 38 1.276 2.649 -8.101 1.00 0.00 C ATOM 594 CD ARG A 38 0.002 3.401 -7.749 1.00 0.00 C ATOM 595 NE ARG A 38 -0.047 4.723 -8.371 1.00 0.00 N ATOM 596 CZ ARG A 38 -0.389 4.934 -9.641 1.00 0.00 C ATOM 597 NH1 ARG A 38 -0.712 3.915 -10.426 1.00 0.00 N ATOM 598 NH2 ARG A 38 -0.410 6.168 -10.125 1.00 0.00 N ATOM 0 H ARG A 38 3.122 -0.095 -6.137 1.00 0.00 H new ATOM 0 HA ARG A 38 1.245 2.120 -5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.064 0.668 -8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.324 0.756 -7.850 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.136 3.183 -7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.396 2.624 -9.184 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.862 2.818 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.068 3.508 -6.666 1.00 0.00 H new ATOM 0 HE ARG A 38 0.195 5.532 -7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.699 2.964 -10.058 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.973 4.083 -11.398 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.164 6.955 -9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.672 6.330 -11.097 1.00 0.00 H new ATOM 612 N ALA A 39 -0.601 0.739 -4.745 1.00 0.00 N ATOM 613 CA ALA A 39 -1.679 -0.071 -4.180 1.00 0.00 C ATOM 614 C ALA A 39 -3.022 0.660 -4.196 1.00 0.00 C ATOM 615 O ALA A 39 -3.072 1.885 -4.300 1.00 0.00 O ATOM 616 CB ALA A 39 -1.332 -0.493 -2.762 1.00 0.00 C ATOM 0 H ALA A 39 -0.663 1.736 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.782 -0.955 -4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.143 -1.096 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.413 -1.080 -2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.190 0.393 -2.143 1.00 0.00 H new ATOM 622 N GLU A 40 -4.110 -0.104 -4.068 1.00 0.00 N ATOM 623 CA GLU A 40 -5.460 0.467 -4.040 1.00 0.00 C ATOM 624 C GLU A 40 -6.104 0.238 -2.671 1.00 0.00 C ATOM 625 O GLU A 40 -5.796 -0.741 -1.990 1.00 0.00 O ATOM 626 CB GLU A 40 -6.372 -0.175 -5.094 1.00 0.00 C ATOM 627 CG GLU A 40 -6.651 -1.640 -4.836 1.00 0.00 C ATOM 628 CD GLU A 40 -8.089 -1.915 -4.437 1.00 0.00 C ATOM 629 OE1 GLU A 40 -8.450 -1.619 -3.278 1.00 0.00 O ATOM 630 OE2 GLU A 40 -8.849 -2.435 -5.279 1.00 0.00 O ATOM 0 H GLU A 40 -4.083 -1.120 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.355 1.531 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.317 0.367 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.911 -0.068 -6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.414 -2.211 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.988 -1.996 -4.048 1.00 0.00 H new ATOM 637 N LEU A 41 -7.008 1.133 -2.279 1.00 0.00 N ATOM 638 CA LEU A 41 -7.712 1.031 -1.003 1.00 0.00 C ATOM 639 C LEU A 41 -9.084 1.682 -1.129 1.00 0.00 C ATOM 640 O LEU A 41 -9.228 2.742 -1.736 1.00 0.00 O ATOM 641 CB LEU A 41 -6.886 1.708 0.088 1.00 0.00 C ATOM 642 CG LEU A 41 -7.629 2.199 1.339 1.00 0.00 C ATOM 643 CD1 LEU A 41 -6.754 2.021 2.577 1.00 0.00 C ATOM 644 CD2 LEU A 41 -8.020 3.663 1.177 1.00 0.00 C ATOM 0 H LEU A 41 -7.272 1.946 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.849 -0.016 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.114 1.008 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.376 2.562 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.535 1.606 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.293 2.373 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.508 0.966 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.836 2.596 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.546 4.000 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.123 4.266 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.671 3.772 0.310 1.00 0.00 H new ATOM 656 N ASP A 42 -10.094 0.958 -0.668 1.00 0.00 N ATOM 657 CA ASP A 42 -11.481 1.398 -0.779 1.00 0.00 C ATOM 658 C ASP A 42 -11.854 1.770 -2.220 1.00 0.00 C ATOM 659 O ASP A 42 -12.622 2.704 -2.445 1.00 0.00 O ATOM 660 CB ASP A 42 -11.739 2.582 0.157 1.00 0.00 C ATOM 661 CG ASP A 42 -12.212 2.134 1.526 1.00 0.00 C ATOM 662 OD1 ASP A 42 -13.436 1.976 1.708 1.00 0.00 O ATOM 663 OD2 ASP A 42 -11.356 1.937 2.414 1.00 0.00 O ATOM 0 H ASP A 42 -9.979 0.054 -0.209 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.113 0.560 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.825 3.166 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.487 3.239 -0.287 1.00 0.00 H new ATOM 668 N GLY A 43 -11.318 1.028 -3.190 1.00 0.00 N ATOM 669 CA GLY A 43 -11.625 1.296 -4.594 1.00 0.00 C ATOM 670 C GLY A 43 -10.849 2.474 -5.163 1.00 0.00 C ATOM 671 O GLY A 43 -11.198 3.009 -6.216 1.00 0.00 O ATOM 0 H GLY A 43 -10.679 0.249 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.405 0.406 -5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.693 1.490 -4.695 1.00 0.00 H new ATOM 675 N LYS A 44 -9.822 2.895 -4.444 1.00 0.00 N ATOM 676 CA LYS A 44 -8.997 4.022 -4.865 1.00 0.00 C ATOM 677 C LYS A 44 -7.562 3.550 -5.049 1.00 0.00 C ATOM 678 O LYS A 44 -7.056 2.784 -4.235 1.00 0.00 O ATOM 679 CB LYS A 44 -9.032 5.107 -3.789 1.00 0.00 C ATOM 680 CG LYS A 44 -8.172 6.316 -4.125 1.00 0.00 C ATOM 681 CD LYS A 44 -8.833 7.614 -3.687 1.00 0.00 C ATOM 682 CE LYS A 44 -7.814 8.611 -3.157 1.00 0.00 C ATOM 683 NZ LYS A 44 -7.198 8.156 -1.880 1.00 0.00 N ATOM 0 H LYS A 44 -9.536 2.473 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.379 4.424 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.062 5.432 -3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.696 4.682 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.202 6.219 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.988 6.345 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.368 8.053 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.573 7.404 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.033 8.762 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.297 9.576 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.845 8.980 -1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.910 7.658 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.408 7.512 -2.086 1.00 0.00 H new ATOM 697 N GLU A 45 -6.878 4.055 -6.074 1.00 0.00 N ATOM 698 CA GLU A 45 -5.481 3.692 -6.301 1.00 0.00 C ATOM 699 C GLU A 45 -4.580 4.854 -5.901 1.00 0.00 C ATOM 700 O GLU A 45 -5.057 5.960 -5.650 1.00 0.00 O ATOM 701 CB GLU A 45 -5.250 3.240 -7.756 1.00 0.00 C ATOM 702 CG GLU A 45 -4.659 4.298 -8.681 1.00 0.00 C ATOM 703 CD GLU A 45 -5.314 4.300 -10.049 1.00 0.00 C ATOM 704 OE1 GLU A 45 -6.541 4.522 -10.119 1.00 0.00 O ATOM 705 OE2 GLU A 45 -4.602 4.075 -11.050 1.00 0.00 O ATOM 0 H GLU A 45 -7.264 4.710 -6.754 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.225 2.838 -5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.586 2.375 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.202 2.908 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.774 5.281 -8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.589 4.122 -8.793 1.00 0.00 H new ATOM 712 N GLY A 46 -3.305 4.550 -5.667 1.00 0.00 N ATOM 713 CA GLY A 46 -2.379 5.552 -5.180 1.00 0.00 C ATOM 714 C GLY A 46 -1.075 4.945 -4.687 1.00 0.00 C ATOM 715 O GLY A 46 -1.080 3.936 -3.977 1.00 0.00 O ATOM 0 H GLY A 46 -2.899 3.625 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.167 6.264 -5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.846 6.111 -4.369 1.00 0.00 H new ATOM 719 N LEU A 47 0.018 5.671 -4.911 1.00 0.00 N ATOM 720 CA LEU A 47 1.334 5.277 -4.409 1.00 0.00 C ATOM 721 C LEU A 47 1.385 5.261 -2.871 1.00 0.00 C ATOM 722 O LEU A 47 0.633 5.965 -2.197 1.00 0.00 O ATOM 723 CB LEU A 47 2.405 6.240 -4.945 1.00 0.00 C ATOM 724 CG LEU A 47 3.596 5.565 -5.623 1.00 0.00 C ATOM 725 CD1 LEU A 47 3.154 4.934 -6.919 1.00 0.00 C ATOM 726 CD2 LEU A 47 4.714 6.562 -5.879 1.00 0.00 C ATOM 0 H LEU A 47 0.018 6.542 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 47 1.528 4.264 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.938 6.920 -5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.773 6.848 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 47 3.980 4.791 -4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.007 4.454 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.384 4.189 -6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.751 5.702 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.550 6.056 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.349 7.359 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.046 6.987 -4.932 1.00 0.00 H new ATOM 738 N ILE A 48 2.292 4.451 -2.343 1.00 0.00 N ATOM 739 CA ILE A 48 2.463 4.351 -0.891 1.00 0.00 C ATOM 740 C ILE A 48 3.939 4.227 -0.512 1.00 0.00 C ATOM 741 O ILE A 48 4.733 3.694 -1.287 1.00 0.00 O ATOM 742 CB ILE A 48 1.692 3.146 -0.322 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.146 1.870 -1.017 1.00 0.00 C ATOM 744 CG2 ILE A 48 0.186 3.330 -0.486 1.00 0.00 C ATOM 745 CD1 ILE A 48 1.504 0.627 -0.458 1.00 0.00 C ATOM 0 H ILE A 48 2.917 3.857 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 48 2.062 5.268 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 48 1.906 3.072 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.917 1.942 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.229 1.782 -0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.333 2.464 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.131 4.228 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.055 3.430 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.871 -0.246 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.754 0.532 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.422 0.695 -0.570 1.00 0.00 H new ATOM 757 N PRO A 49 4.347 4.701 0.693 1.00 0.00 N ATOM 758 CA PRO A 49 5.731 4.594 1.113 1.00 0.00 C ATOM 759 C PRO A 49 5.998 3.148 1.503 1.00 0.00 C ATOM 760 O PRO A 49 5.391 2.616 2.432 1.00 0.00 O ATOM 761 CB PRO A 49 5.847 5.560 2.284 1.00 0.00 C ATOM 762 CG PRO A 49 4.468 5.643 2.844 1.00 0.00 C ATOM 763 CD PRO A 49 3.511 5.341 1.712 1.00 0.00 C ATOM 0 HA PRO A 49 6.463 4.846 0.346 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.555 5.197 3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.201 6.538 1.957 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.339 4.930 3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.278 6.634 3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.706 4.682 2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.045 6.250 1.331 1.00 0.00 H new ATOM 771 N SER A 50 6.865 2.513 0.747 1.00 0.00 N ATOM 772 CA SER A 50 7.184 1.104 0.925 1.00 0.00 C ATOM 773 C SER A 50 7.538 0.659 2.351 1.00 0.00 C ATOM 774 O SER A 50 7.299 -0.484 2.743 1.00 0.00 O ATOM 775 CB SER A 50 8.308 0.695 -0.027 1.00 0.00 C ATOM 776 OG SER A 50 9.551 1.238 0.383 1.00 0.00 O ATOM 0 H SER A 50 7.375 2.958 -0.016 1.00 0.00 H new ATOM 0 HA SER A 50 6.250 0.591 0.695 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.378 -0.392 -0.065 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.075 1.035 -1.036 1.00 0.00 H new ATOM 0 HG SER A 50 9.622 2.165 0.072 1.00 0.00 H new ATOM 782 N ASN A 51 8.042 1.616 3.130 1.00 0.00 N ATOM 783 CA ASN A 51 8.411 1.391 4.533 1.00 0.00 C ATOM 784 C ASN A 51 7.198 1.320 5.480 1.00 0.00 C ATOM 785 O ASN A 51 7.313 0.808 6.591 1.00 0.00 O ATOM 786 CB ASN A 51 9.362 2.495 5.003 1.00 0.00 C ATOM 787 CG ASN A 51 8.696 3.859 5.064 1.00 0.00 C ATOM 788 OD1 ASN A 51 8.275 4.309 6.131 1.00 0.00 O ATOM 789 ND2 ASN A 51 8.603 4.527 3.921 1.00 0.00 N ATOM 0 H ASN A 51 8.207 2.570 2.809 1.00 0.00 H new ATOM 0 HA ASN A 51 8.901 0.418 4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.748 2.240 5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.217 2.543 4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.170 5.450 3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.965 4.117 3.060 1.00 0.00 H new ATOM 796 N TYR A 52 6.047 1.826 5.046 1.00 0.00 N ATOM 797 CA TYR A 52 4.843 1.811 5.891 1.00 0.00 C ATOM 798 C TYR A 52 3.934 0.613 5.602 1.00 0.00 C ATOM 799 O TYR A 52 2.829 0.508 6.158 1.00 0.00 O ATOM 800 CB TYR A 52 4.048 3.100 5.689 1.00 0.00 C ATOM 801 CG TYR A 52 4.427 4.197 6.659 1.00 0.00 C ATOM 802 CD1 TYR A 52 3.849 4.259 7.920 1.00 0.00 C ATOM 803 CD2 TYR A 52 5.368 5.157 6.320 1.00 0.00 C ATOM 804 CE1 TYR A 52 4.199 5.250 8.820 1.00 0.00 C ATOM 805 CE2 TYR A 52 5.723 6.154 7.211 1.00 0.00 C ATOM 806 CZ TYR A 52 5.136 6.195 8.461 1.00 0.00 C ATOM 807 OH TYR A 52 5.487 7.180 9.356 1.00 0.00 O ATOM 0 H TYR A 52 5.916 2.248 4.127 1.00 0.00 H new ATOM 0 HA TYR A 52 5.184 1.729 6.923 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.201 3.457 4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.985 2.883 5.794 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.113 3.521 8.203 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.831 5.126 5.345 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.741 5.283 9.797 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.455 6.897 6.931 1.00 0.00 H new ATOM 0 HH TYR A 52 6.160 7.766 8.950 1.00 0.00 H new ATOM 817 N ILE A 53 4.378 -0.297 4.749 1.00 0.00 N ATOM 818 CA ILE A 53 3.570 -1.459 4.426 1.00 0.00 C ATOM 819 C ILE A 53 4.379 -2.740 4.497 1.00 0.00 C ATOM 820 O ILE A 53 5.603 -2.728 4.378 1.00 0.00 O ATOM 821 CB ILE A 53 2.921 -1.339 3.031 1.00 0.00 C ATOM 822 CG1 ILE A 53 3.965 -1.472 1.916 1.00 0.00 C ATOM 823 CG2 ILE A 53 2.185 -0.017 2.914 1.00 0.00 C ATOM 824 CD1 ILE A 53 3.370 -1.862 0.580 1.00 0.00 C ATOM 0 H ILE A 53 5.280 -0.254 4.275 1.00 0.00 H new ATOM 0 HA ILE A 53 2.779 -1.499 5.175 1.00 0.00 H new ATOM 0 HB ILE A 53 2.208 -2.156 2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.493 -0.525 1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.705 -2.218 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.730 0.060 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.408 0.036 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.888 0.804 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.164 -1.938 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.866 -2.824 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.651 -1.105 0.267 1.00 0.00 H new ATOM 836 N GLU A 54 3.675 -3.842 4.676 1.00 0.00 N ATOM 837 CA GLU A 54 4.302 -5.147 4.747 1.00 0.00 C ATOM 838 C GLU A 54 3.704 -6.049 3.689 1.00 0.00 C ATOM 839 O GLU A 54 2.649 -6.652 3.892 1.00 0.00 O ATOM 840 CB GLU A 54 4.112 -5.758 6.130 1.00 0.00 C ATOM 841 CG GLU A 54 4.535 -4.834 7.250 1.00 0.00 C ATOM 842 CD GLU A 54 6.029 -4.867 7.517 1.00 0.00 C ATOM 843 OE1 GLU A 54 6.808 -4.655 6.565 1.00 0.00 O ATOM 844 OE2 GLU A 54 6.419 -5.098 8.681 1.00 0.00 O ATOM 0 H GLU A 54 2.660 -3.858 4.776 1.00 0.00 H new ATOM 0 HA GLU A 54 5.372 -5.038 4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.063 -6.023 6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.685 -6.683 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.238 -3.814 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.003 -5.109 8.161 1.00 0.00 H new