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 Set 1.1: A 35 ASN : amide:sc= -3.13! K(o=-5.6!,f=0) USER MOD Set 1.2: A 51 ASN : amide:sc= -2.52! K(o=-5.6!,f=0.73) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc=-0.00964 (180deg=-0.2) USER MOD Single : A 7 HIS : no HD1:sc= -0.998 X(o=-1,f=-1) 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= -0.165 X(o=-0.17,f=-0.01) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -8.98! C(o=-9!,f=-13!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 120:sc= -1.11 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -1.357 -9.557 -1.805 1.00 0.00 N ATOM 21 CA GLU A 2 -1.921 -8.678 -0.784 1.00 0.00 C ATOM 22 C GLU A 2 -0.898 -8.291 0.284 1.00 0.00 C ATOM 23 O GLU A 2 0.074 -9.005 0.536 1.00 0.00 O ATOM 24 CB GLU A 2 -3.125 -9.334 -0.107 1.00 0.00 C ATOM 25 CG GLU A 2 -4.064 -8.357 0.572 1.00 0.00 C ATOM 26 CD GLU A 2 -5.309 -9.033 1.120 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.220 -9.334 0.321 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.373 -9.263 2.347 1.00 0.00 O ATOM 0 HA GLU A 2 -2.234 -7.770 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.684 -9.899 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.766 -10.050 0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.538 -7.858 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.357 -7.585 -0.140 1.00 0.00 H new ATOM 35 N ALA A 3 -1.176 -7.165 0.926 1.00 0.00 N ATOM 36 CA ALA A 3 -0.324 -6.648 1.996 1.00 0.00 C ATOM 37 C ALA A 3 -1.136 -5.949 3.075 1.00 0.00 C ATOM 38 O ALA A 3 -2.326 -5.680 2.915 1.00 0.00 O ATOM 39 CB ALA A 3 0.709 -5.696 1.427 1.00 0.00 C ATOM 0 H ALA A 3 -1.991 -6.586 0.725 1.00 0.00 H new ATOM 0 HA ALA A 3 0.180 -7.498 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.338 -5.317 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.328 -6.223 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.205 -4.862 0.938 1.00 0.00 H new ATOM 45 N ILE A 4 -0.448 -5.667 4.181 1.00 0.00 N ATOM 46 CA ILE A 4 -1.077 -5.002 5.317 1.00 0.00 C ATOM 47 C ILE A 4 -0.210 -3.864 5.862 1.00 0.00 C ATOM 48 O ILE A 4 1.012 -3.994 5.980 1.00 0.00 O ATOM 49 CB ILE A 4 -1.404 -5.991 6.465 1.00 0.00 C ATOM 50 CG1 ILE A 4 -2.530 -5.465 7.346 1.00 0.00 C ATOM 51 CG2 ILE A 4 -0.183 -6.323 7.311 1.00 0.00 C ATOM 52 CD1 ILE A 4 -3.535 -6.528 7.736 1.00 0.00 C ATOM 0 H ILE A 4 0.539 -5.888 4.312 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.011 -4.586 4.939 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.735 -6.915 5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.102 -5.031 8.250 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.047 -4.662 6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.466 -7.019 8.101 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.582 -6.779 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.210 -5.409 7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.309 -6.085 8.363 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.990 -6.945 6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.030 -7.320 8.289 1.00 0.00 H new ATOM 64 N ALA A 5 -0.865 -2.765 6.224 1.00 0.00 N ATOM 65 CA ALA A 5 -0.182 -1.599 6.784 1.00 0.00 C ATOM 66 C ALA A 5 0.351 -1.863 8.194 1.00 0.00 C ATOM 67 O ALA A 5 -0.422 -2.144 9.109 1.00 0.00 O ATOM 68 CB ALA A 5 -1.122 -0.406 6.793 1.00 0.00 C ATOM 0 H ALA A 5 -1.876 -2.656 6.139 1.00 0.00 H new ATOM 0 HA ALA A 5 0.678 -1.384 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.608 0.459 7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.437 -0.183 5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.997 -0.637 7.401 1.00 0.00 H new ATOM 74 N LYS A 6 1.660 -1.697 8.380 1.00 0.00 N ATOM 75 CA LYS A 6 2.269 -1.860 9.707 1.00 0.00 C ATOM 76 C LYS A 6 2.207 -0.539 10.480 1.00 0.00 C ATOM 77 O LYS A 6 2.292 -0.509 11.708 1.00 0.00 O ATOM 78 CB LYS A 6 3.724 -2.339 9.613 1.00 0.00 C ATOM 79 CG LYS A 6 4.037 -3.178 8.383 1.00 0.00 C ATOM 80 CD LYS A 6 5.196 -2.587 7.593 1.00 0.00 C ATOM 81 CE LYS A 6 6.538 -3.085 8.104 1.00 0.00 C ATOM 82 NZ LYS A 6 6.937 -2.405 9.368 1.00 0.00 N ATOM 0 H LYS A 6 2.317 -1.452 7.639 1.00 0.00 H new ATOM 0 HA LYS A 6 1.700 -2.623 10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.380 -1.469 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.959 -2.922 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.282 -4.196 8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.154 -3.239 7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.089 -2.847 6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.163 -1.499 7.658 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.487 -4.161 8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.301 -2.916 7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.929 -2.629 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.831 -1.376 9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.330 -2.734 10.146 1.00 0.00 H new ATOM 96 N HIS A 7 2.035 0.539 9.729 1.00 0.00 N ATOM 97 CA HIS A 7 1.929 1.872 10.314 1.00 0.00 C ATOM 98 C HIS A 7 1.028 2.731 9.437 1.00 0.00 C ATOM 99 O HIS A 7 0.429 2.271 8.467 1.00 0.00 O ATOM 100 CB HIS A 7 3.311 2.513 10.457 1.00 0.00 C ATOM 101 CG HIS A 7 4.328 1.611 11.088 1.00 0.00 C ATOM 102 ND1 HIS A 7 4.391 1.375 12.446 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.328 0.880 10.536 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.384 0.541 12.702 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.967 0.226 11.561 1.00 0.00 N ATOM 0 H HIS A 7 1.966 0.519 8.712 1.00 0.00 H new ATOM 0 HA HIS A 7 1.495 1.793 11.311 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.666 2.814 9.472 1.00 0.00 H new ATOM 0 HB3 HIS A 7 3.222 3.420 11.055 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.576 0.823 9.486 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.670 0.179 13.679 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.764 -0.402 11.457 1.00 0.00 H new ATOM 114 N ASP A 8 0.838 3.954 9.923 1.00 0.00 N ATOM 115 CA ASP A 8 -0.069 4.892 9.274 1.00 0.00 C ATOM 116 C ASP A 8 0.648 5.598 8.135 1.00 0.00 C ATOM 117 O ASP A 8 1.839 5.895 8.236 1.00 0.00 O ATOM 118 CB ASP A 8 -0.567 5.932 10.286 1.00 0.00 C ATOM 119 CG ASP A 8 -1.214 5.306 11.508 1.00 0.00 C ATOM 120 OD1 ASP A 8 -0.858 4.159 11.849 1.00 0.00 O ATOM 121 OD2 ASP A 8 -2.075 5.967 12.126 1.00 0.00 O ATOM 0 H ASP A 8 1.297 4.316 10.759 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.922 4.339 8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.271 6.553 10.603 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.285 6.591 9.798 1.00 0.00 H new ATOM 126 N PHE A 9 -0.061 5.842 7.031 1.00 0.00 N ATOM 127 CA PHE A 9 0.577 6.501 5.900 1.00 0.00 C ATOM 128 C PHE A 9 -0.329 7.523 5.211 1.00 0.00 C ATOM 129 O PHE A 9 -1.450 7.215 4.803 1.00 0.00 O ATOM 130 CB PHE A 9 1.072 5.492 4.848 1.00 0.00 C ATOM 131 CG PHE A 9 0.637 5.760 3.428 1.00 0.00 C ATOM 132 CD1 PHE A 9 1.151 6.833 2.716 1.00 0.00 C ATOM 133 CD2 PHE A 9 -0.273 4.924 2.803 1.00 0.00 C ATOM 134 CE1 PHE A 9 0.763 7.065 1.408 1.00 0.00 C ATOM 135 CE2 PHE A 9 -0.666 5.157 1.501 1.00 0.00 C ATOM 136 CZ PHE A 9 -0.147 6.226 0.801 1.00 0.00 C ATOM 0 H PHE A 9 -1.044 5.601 6.901 1.00 0.00 H new ATOM 0 HA PHE A 9 1.428 7.029 6.329 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.161 5.470 4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.726 4.499 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.862 7.495 3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.680 4.080 3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.173 7.903 0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.382 4.501 1.029 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.452 6.405 -0.219 1.00 0.00 H new ATOM 146 N SER A 10 0.235 8.697 4.983 1.00 0.00 N ATOM 147 CA SER A 10 -0.433 9.773 4.264 1.00 0.00 C ATOM 148 C SER A 10 0.459 10.183 3.100 1.00 0.00 C ATOM 149 O SER A 10 1.666 10.372 3.254 1.00 0.00 O ATOM 150 CB SER A 10 -0.727 10.934 5.223 1.00 0.00 C ATOM 151 OG SER A 10 -1.257 12.049 4.528 1.00 0.00 O ATOM 0 H SER A 10 1.177 8.934 5.294 1.00 0.00 H new ATOM 0 HA SER A 10 -1.394 9.449 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.433 10.609 5.987 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.188 11.225 5.738 1.00 0.00 H new ATOM 0 HG SER A 10 -1.437 12.774 5.162 1.00 0.00 H new ATOM 157 N ALA A 11 -0.146 10.244 1.915 1.00 0.00 N ATOM 158 CA ALA A 11 0.568 10.537 0.686 1.00 0.00 C ATOM 159 C ALA A 11 1.404 11.795 0.767 1.00 0.00 C ATOM 160 O ALA A 11 1.013 12.794 1.369 1.00 0.00 O ATOM 161 CB ALA A 11 -0.435 10.681 -0.450 1.00 0.00 C ATOM 0 H ALA A 11 -1.146 10.091 1.786 1.00 0.00 H new ATOM 0 HA ALA A 11 1.253 9.708 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.094 10.901 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.993 9.751 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.126 11.494 -0.225 1.00 0.00 H new ATOM 167 N THR A 12 2.606 11.682 0.212 1.00 0.00 N ATOM 168 CA THR A 12 3.567 12.768 0.220 1.00 0.00 C ATOM 169 C THR A 12 3.714 13.314 -1.200 1.00 0.00 C ATOM 170 O THR A 12 4.557 14.162 -1.483 1.00 0.00 O ATOM 171 CB THR A 12 4.888 12.299 0.873 1.00 0.00 C ATOM 172 OG1 THR A 12 4.785 12.342 2.286 1.00 0.00 O ATOM 173 CG2 THR A 12 6.113 13.101 0.484 1.00 0.00 C ATOM 0 H THR A 12 2.936 10.837 -0.253 1.00 0.00 H new ATOM 0 HA THR A 12 3.222 13.600 0.834 1.00 0.00 H new ATOM 0 HB THR A 12 5.027 11.285 0.499 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.628 12.041 2.685 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.989 12.697 0.992 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.259 13.042 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.973 14.142 0.774 1.00 0.00 H new ATOM 181 N ALA A 13 2.825 12.851 -2.071 1.00 0.00 N ATOM 182 CA ALA A 13 2.792 13.296 -3.453 1.00 0.00 C ATOM 183 C ALA A 13 1.382 13.134 -4.015 1.00 0.00 C ATOM 184 O ALA A 13 0.525 12.491 -3.409 1.00 0.00 O ATOM 185 CB ALA A 13 3.811 12.503 -4.256 1.00 0.00 C ATOM 0 H ALA A 13 2.112 12.160 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 13 3.053 14.352 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.791 12.832 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.806 12.666 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.567 11.442 -4.207 1.00 0.00 H new ATOM 191 N ASP A 14 1.145 13.758 -5.159 1.00 0.00 N ATOM 192 CA ASP A 14 -0.167 13.741 -5.798 1.00 0.00 C ATOM 193 C ASP A 14 -0.560 12.363 -6.298 1.00 0.00 C ATOM 194 O ASP A 14 -1.745 12.063 -6.449 1.00 0.00 O ATOM 195 CB ASP A 14 -0.195 14.733 -6.960 1.00 0.00 C ATOM 196 CG ASP A 14 -1.164 15.877 -6.721 1.00 0.00 C ATOM 197 OD1 ASP A 14 -0.800 16.818 -5.985 1.00 0.00 O ATOM 198 OD2 ASP A 14 -2.285 15.828 -7.268 1.00 0.00 O ATOM 0 H ASP A 14 1.851 14.288 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.892 14.029 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.806 15.135 -7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.474 14.209 -7.875 1.00 0.00 H new ATOM 203 N ASP A 15 0.431 11.567 -6.645 1.00 0.00 N ATOM 204 CA ASP A 15 0.179 10.257 -7.210 1.00 0.00 C ATOM 205 C ASP A 15 0.163 9.122 -6.188 1.00 0.00 C ATOM 206 O ASP A 15 0.290 7.951 -6.538 1.00 0.00 O ATOM 207 CB ASP A 15 1.240 9.955 -8.268 1.00 0.00 C ATOM 208 CG ASP A 15 2.652 10.065 -7.723 1.00 0.00 C ATOM 209 OD1 ASP A 15 2.968 9.363 -6.739 1.00 0.00 O ATOM 210 OD2 ASP A 15 3.445 10.854 -8.282 1.00 0.00 O ATOM 0 H ASP A 15 1.418 11.804 -6.546 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.822 10.300 -7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.082 8.950 -8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.122 10.645 -9.104 1.00 0.00 H new ATOM 215 N GLU A 16 0.010 9.501 -4.909 1.00 0.00 N ATOM 216 CA GLU A 16 -0.018 8.556 -3.803 1.00 0.00 C ATOM 217 C GLU A 16 -1.418 8.453 -3.188 1.00 0.00 C ATOM 218 O GLU A 16 -2.277 9.297 -3.438 1.00 0.00 O ATOM 219 CB GLU A 16 1.001 8.990 -2.748 1.00 0.00 C ATOM 220 CG GLU A 16 2.428 8.574 -3.070 1.00 0.00 C ATOM 221 CD GLU A 16 2.940 7.477 -2.153 1.00 0.00 C ATOM 222 OE1 GLU A 16 2.774 7.607 -0.925 1.00 0.00 O ATOM 223 OE2 GLU A 16 3.512 6.490 -2.662 1.00 0.00 O ATOM 0 H GLU A 16 -0.097 10.474 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 16 0.242 7.567 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.963 10.074 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.717 8.566 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.478 8.231 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.082 9.443 -2.991 1.00 0.00 H new ATOM 230 N LEU A 17 -1.624 7.427 -2.369 1.00 0.00 N ATOM 231 CA LEU A 17 -2.920 7.244 -1.708 1.00 0.00 C ATOM 232 C LEU A 17 -2.762 7.454 -0.202 1.00 0.00 C ATOM 233 O LEU A 17 -1.919 8.245 0.220 1.00 0.00 O ATOM 234 CB LEU A 17 -3.512 5.858 -2.035 1.00 0.00 C ATOM 235 CG LEU A 17 -4.684 5.851 -3.026 1.00 0.00 C ATOM 236 CD1 LEU A 17 -5.436 4.531 -2.951 1.00 0.00 C ATOM 237 CD2 LEU A 17 -5.627 7.012 -2.784 1.00 0.00 C ATOM 0 H LEU A 17 -0.926 6.718 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.624 7.987 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.717 5.230 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.844 5.397 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.270 5.965 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.264 4.543 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.760 3.712 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.824 4.390 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.444 6.974 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.031 6.948 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.085 7.951 -2.899 1.00 0.00 H new ATOM 249 N SER A 18 -3.538 6.747 0.621 1.00 0.00 N ATOM 250 CA SER A 18 -3.439 6.867 2.067 1.00 0.00 C ATOM 251 C SER A 18 -3.825 5.539 2.710 1.00 0.00 C ATOM 252 O SER A 18 -4.574 4.762 2.116 1.00 0.00 O ATOM 253 CB SER A 18 -4.357 7.975 2.592 1.00 0.00 C ATOM 254 OG SER A 18 -5.688 7.806 2.126 1.00 0.00 O ATOM 0 H SER A 18 -4.244 6.083 0.303 1.00 0.00 H new ATOM 0 HA SER A 18 -2.411 7.124 2.324 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.348 7.972 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.978 8.946 2.273 1.00 0.00 H new ATOM 0 HG SER A 18 -6.252 8.526 2.478 1.00 0.00 H new ATOM 260 N PHE A 19 -3.301 5.247 3.895 1.00 0.00 N ATOM 261 CA PHE A 19 -3.598 3.975 4.546 1.00 0.00 C ATOM 262 C PHE A 19 -3.292 4.010 6.044 1.00 0.00 C ATOM 263 O PHE A 19 -2.404 4.733 6.496 1.00 0.00 O ATOM 264 CB PHE A 19 -2.782 2.871 3.867 1.00 0.00 C ATOM 265 CG PHE A 19 -3.553 1.620 3.574 1.00 0.00 C ATOM 266 CD1 PHE A 19 -4.339 1.521 2.441 1.00 0.00 C ATOM 267 CD2 PHE A 19 -3.475 0.534 4.421 1.00 0.00 C ATOM 268 CE1 PHE A 19 -5.033 0.362 2.168 1.00 0.00 C ATOM 269 CE2 PHE A 19 -4.167 -0.624 4.147 1.00 0.00 C ATOM 270 CZ PHE A 19 -4.949 -0.708 3.021 1.00 0.00 C ATOM 0 H PHE A 19 -2.678 5.862 4.418 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.665 3.777 4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.375 3.259 2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.934 2.619 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.410 2.359 1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.864 0.593 5.309 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.644 0.297 1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.095 -1.467 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.496 -1.614 2.808 1.00 0.00 H new ATOM 280 N ARG A 20 -4.062 3.233 6.805 1.00 0.00 N ATOM 281 CA ARG A 20 -3.910 3.178 8.255 1.00 0.00 C ATOM 282 C ARG A 20 -3.473 1.789 8.725 1.00 0.00 C ATOM 283 O ARG A 20 -3.730 0.785 8.061 1.00 0.00 O ATOM 284 CB ARG A 20 -5.239 3.556 8.920 1.00 0.00 C ATOM 285 CG ARG A 20 -5.199 3.617 10.440 1.00 0.00 C ATOM 286 CD ARG A 20 -4.125 4.563 10.970 1.00 0.00 C ATOM 287 NE ARG A 20 -3.690 5.556 9.984 1.00 0.00 N ATOM 288 CZ ARG A 20 -4.353 6.671 9.701 1.00 0.00 C ATOM 289 NH1 ARG A 20 -5.503 6.934 10.297 1.00 0.00 N ATOM 290 NH2 ARG A 20 -3.860 7.528 8.818 1.00 0.00 N ATOM 0 H ARG A 20 -4.799 2.632 6.438 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.132 3.886 8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.556 4.527 8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.998 2.833 8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.173 3.937 10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.021 2.616 10.834 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.507 5.079 11.851 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.263 3.979 11.292 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.820 5.379 9.482 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.886 6.279 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.008 7.792 10.075 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.972 7.331 8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.369 8.385 8.600 1.00 0.00 H new ATOM 304 N LYS A 21 -2.820 1.750 9.887 1.00 0.00 N ATOM 305 CA LYS A 21 -2.344 0.509 10.498 1.00 0.00 C ATOM 306 C LYS A 21 -3.497 -0.473 10.696 1.00 0.00 C ATOM 307 O LYS A 21 -4.539 -0.132 11.257 1.00 0.00 O ATOM 308 CB LYS A 21 -1.669 0.844 11.834 1.00 0.00 C ATOM 309 CG LYS A 21 -1.252 -0.370 12.644 1.00 0.00 C ATOM 310 CD LYS A 21 -2.229 -0.643 13.778 1.00 0.00 C ATOM 311 CE LYS A 21 -2.679 -2.095 13.789 1.00 0.00 C ATOM 312 NZ LYS A 21 -1.607 -3.002 14.281 1.00 0.00 N ATOM 0 H LYS A 21 -2.605 2.584 10.434 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.620 0.030 9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.789 1.457 11.640 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.352 1.448 12.431 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.196 -1.242 11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.254 -0.212 13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.759 -0.400 14.731 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.098 0.007 13.676 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.561 -2.198 14.422 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.973 -2.392 12.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.952 -3.983 14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.775 -2.923 13.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.344 -2.735 15.251 1.00 0.00 H new ATOM 326 N GLY A 22 -3.267 -1.717 10.272 1.00 0.00 N ATOM 327 CA GLY A 22 -4.258 -2.769 10.425 1.00 0.00 C ATOM 328 C GLY A 22 -5.063 -3.030 9.168 1.00 0.00 C ATOM 329 O GLY A 22 -5.649 -4.102 9.022 1.00 0.00 O ATOM 0 H GLY A 22 -2.402 -2.015 9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.756 -3.689 10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.938 -2.501 11.233 1.00 0.00 H new ATOM 333 N GLN A 23 -5.098 -2.070 8.255 1.00 0.00 N ATOM 334 CA GLN A 23 -5.869 -2.243 7.028 1.00 0.00 C ATOM 335 C GLN A 23 -5.157 -3.066 5.952 1.00 0.00 C ATOM 336 O GLN A 23 -3.944 -3.246 6.020 1.00 0.00 O ATOM 337 CB GLN A 23 -6.235 -0.900 6.399 1.00 0.00 C ATOM 338 CG GLN A 23 -6.949 0.039 7.354 1.00 0.00 C ATOM 339 CD GLN A 23 -8.315 -0.474 7.763 1.00 0.00 C ATOM 340 OE1 GLN A 23 -9.327 -0.127 7.156 1.00 0.00 O ATOM 341 NE2 GLN A 23 -8.347 -1.307 8.796 1.00 0.00 N ATOM 0 H GLN A 23 -4.611 -1.177 8.335 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.758 -2.785 7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.327 -0.417 6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.870 -1.075 5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.336 0.180 8.244 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.058 1.016 6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.481 -1.567 9.269 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.237 -1.688 9.117 1.00 0.00 H new ATOM 350 N ILE A 24 -5.904 -3.603 4.986 1.00 0.00 N ATOM 351 CA ILE A 24 -5.299 -4.432 3.937 1.00 0.00 C ATOM 352 C ILE A 24 -5.316 -3.751 2.566 1.00 0.00 C ATOM 353 O ILE A 24 -6.375 -3.507 1.987 1.00 0.00 O ATOM 354 CB ILE A 24 -5.968 -5.825 3.810 1.00 0.00 C ATOM 355 CG1 ILE A 24 -7.023 -6.055 4.900 1.00 0.00 C ATOM 356 CG2 ILE A 24 -4.907 -6.917 3.862 1.00 0.00 C ATOM 357 CD1 ILE A 24 -6.462 -6.067 6.302 1.00 0.00 C ATOM 0 H ILE A 24 -6.914 -3.483 4.906 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.265 -4.567 4.255 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.480 -5.862 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.781 -5.275 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.525 -7.004 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.384 -7.893 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.204 -6.780 3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.373 -6.860 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.269 -6.235 7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.726 -6.866 6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.986 -5.109 6.512 1.00 0.00 H new ATOM 369 N LEU A 25 -4.122 -3.439 2.068 1.00 0.00 N ATOM 370 CA LEU A 25 -3.956 -2.775 0.772 1.00 0.00 C ATOM 371 C LEU A 25 -3.610 -3.785 -0.328 1.00 0.00 C ATOM 372 O LEU A 25 -2.878 -4.743 -0.085 1.00 0.00 O ATOM 373 CB LEU A 25 -2.836 -1.739 0.881 1.00 0.00 C ATOM 374 CG LEU A 25 -1.527 -2.248 1.474 1.00 0.00 C ATOM 375 CD1 LEU A 25 -0.503 -2.487 0.373 1.00 0.00 C ATOM 376 CD2 LEU A 25 -0.996 -1.256 2.495 1.00 0.00 C ATOM 0 H LEU A 25 -3.244 -3.637 2.547 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.896 -2.291 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.634 -1.342 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.192 -0.908 1.490 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.714 -3.197 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.426 -2.850 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.888 -3.229 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.313 -1.553 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.061 -1.629 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.820 -0.295 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.726 -1.131 3.295 1.00 0.00 H new ATOM 388 N LYS A 26 -4.115 -3.562 -1.542 1.00 0.00 N ATOM 389 CA LYS A 26 -3.838 -4.464 -2.664 1.00 0.00 C ATOM 390 C LYS A 26 -2.697 -3.941 -3.534 1.00 0.00 C ATOM 391 O LYS A 26 -2.825 -2.896 -4.167 1.00 0.00 O ATOM 392 CB LYS A 26 -5.109 -4.646 -3.498 1.00 0.00 C ATOM 393 CG LYS A 26 -4.923 -5.538 -4.716 1.00 0.00 C ATOM 394 CD LYS A 26 -4.629 -6.976 -4.319 1.00 0.00 C ATOM 395 CE LYS A 26 -5.904 -7.745 -4.007 1.00 0.00 C ATOM 396 NZ LYS A 26 -6.135 -8.857 -4.974 1.00 0.00 N ATOM 0 H LYS A 26 -4.714 -2.770 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.525 -5.428 -2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.890 -5.069 -2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.460 -3.668 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.822 -5.507 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.106 -5.155 -5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.092 -7.474 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.975 -6.986 -3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.846 -8.149 -2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.754 -7.063 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.013 -9.356 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.216 -8.470 -5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.337 -9.522 -4.935 1.00 0.00 H new ATOM 410 N ILE A 27 -1.641 -4.745 -3.667 1.00 0.00 N ATOM 411 CA ILE A 27 -0.507 -4.385 -4.520 1.00 0.00 C ATOM 412 C ILE A 27 -0.734 -4.768 -5.981 1.00 0.00 C ATOM 413 O ILE A 27 -0.971 -5.932 -6.306 1.00 0.00 O ATOM 414 CB ILE A 27 0.795 -5.055 -4.032 1.00 0.00 C ATOM 415 CG1 ILE A 27 0.963 -4.872 -2.525 1.00 0.00 C ATOM 416 CG2 ILE A 27 1.999 -4.489 -4.772 1.00 0.00 C ATOM 417 CD1 ILE A 27 1.297 -6.154 -1.807 1.00 0.00 C ATOM 0 H ILE A 27 -1.547 -5.646 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.414 -3.301 -4.453 1.00 0.00 H new ATOM 0 HB ILE A 27 0.729 -6.122 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.751 -4.143 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.043 -4.459 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.907 -4.974 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.888 -4.671 -5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.065 -3.416 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.403 -5.957 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.497 -6.878 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.232 -6.556 -2.197 1.00 0.00 H new ATOM 429 N LEU A 28 -0.647 -3.766 -6.852 1.00 0.00 N ATOM 430 CA LEU A 28 -0.825 -3.945 -8.289 1.00 0.00 C ATOM 431 C LEU A 28 0.503 -3.747 -9.029 1.00 0.00 C ATOM 432 O LEU A 28 0.817 -4.469 -9.976 1.00 0.00 O ATOM 433 CB LEU A 28 -1.865 -2.951 -8.809 1.00 0.00 C ATOM 434 CG LEU A 28 -3.186 -2.934 -8.032 1.00 0.00 C ATOM 435 CD1 LEU A 28 -3.597 -1.507 -7.703 1.00 0.00 C ATOM 436 CD2 LEU A 28 -4.281 -3.639 -8.821 1.00 0.00 C ATOM 0 H LEU A 28 -0.450 -2.803 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.173 -4.962 -8.472 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.434 -1.950 -8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.077 -3.182 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.038 -3.471 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.537 -1.517 -7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.824 -1.037 -7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.724 -0.943 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.211 -3.616 -8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.426 -3.132 -9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.991 -4.674 -9.001 1.00 0.00 H new ATOM 448 N ASN A 29 1.282 -2.773 -8.563 1.00 0.00 N ATOM 449 CA ASN A 29 2.587 -2.468 -9.163 1.00 0.00 C ATOM 450 C ASN A 29 3.535 -1.855 -8.132 1.00 0.00 C ATOM 451 O ASN A 29 3.113 -1.081 -7.276 1.00 0.00 O ATOM 452 CB ASN A 29 2.425 -1.506 -10.351 1.00 0.00 C ATOM 453 CG ASN A 29 1.227 -0.590 -10.236 1.00 0.00 C ATOM 454 OD1 ASN A 29 0.097 -1.047 -10.067 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.469 0.712 -10.348 1.00 0.00 N ATOM 0 H ASN A 29 1.035 -2.179 -7.771 1.00 0.00 H new ATOM 0 HA ASN A 29 3.015 -3.405 -9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.327 -0.900 -10.441 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.339 -2.088 -11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.700 1.380 -10.295 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.424 1.043 -10.487 1.00 0.00 H new ATOM 529 N ASN A 35 11.377 1.369 -3.246 1.00 0.00 N ATOM 530 CA ASN A 35 11.004 2.171 -2.070 1.00 0.00 C ATOM 531 C ASN A 35 9.605 2.786 -2.129 1.00 0.00 C ATOM 532 O ASN A 35 9.165 3.417 -1.164 1.00 0.00 O ATOM 533 CB ASN A 35 12.048 3.251 -1.789 1.00 0.00 C ATOM 534 CG ASN A 35 12.633 3.144 -0.399 1.00 0.00 C ATOM 535 OD1 ASN A 35 13.799 2.792 -0.227 1.00 0.00 O ATOM 536 ND2 ASN A 35 11.825 3.446 0.604 1.00 0.00 N ATOM 0 HA ASN A 35 10.976 1.459 -1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.850 3.176 -2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.592 4.233 -1.913 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.162 3.391 1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.865 3.734 0.416 1.00 0.00 H new ATOM 543 N TRP A 36 8.909 2.620 -3.233 1.00 0.00 N ATOM 544 CA TRP A 36 7.563 3.158 -3.375 1.00 0.00 C ATOM 545 C TRP A 36 6.722 2.113 -4.080 1.00 0.00 C ATOM 546 O TRP A 36 7.173 1.538 -5.067 1.00 0.00 O ATOM 547 CB TRP A 36 7.579 4.457 -4.180 1.00 0.00 C ATOM 548 CG TRP A 36 8.135 5.625 -3.413 1.00 0.00 C ATOM 549 CD1 TRP A 36 9.351 6.219 -3.595 1.00 0.00 C ATOM 550 CD2 TRP A 36 7.500 6.336 -2.341 1.00 0.00 C ATOM 551 NE1 TRP A 36 9.512 7.252 -2.703 1.00 0.00 N ATOM 552 CE2 TRP A 36 8.389 7.346 -1.924 1.00 0.00 C ATOM 553 CE3 TRP A 36 6.268 6.219 -1.694 1.00 0.00 C ATOM 554 CZ2 TRP A 36 8.084 8.230 -0.891 1.00 0.00 C ATOM 555 CZ3 TRP A 36 5.966 7.096 -0.669 1.00 0.00 C ATOM 556 CH2 TRP A 36 6.871 8.091 -0.277 1.00 0.00 C ATOM 0 H TRP A 36 9.250 2.115 -4.051 1.00 0.00 H new ATOM 0 HA TRP A 36 7.147 3.387 -2.394 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.171 4.309 -5.083 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.563 4.691 -4.499 1.00 0.00 H new ATOM 0 HD1 TRP A 36 10.081 5.920 -4.333 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.334 7.851 -2.632 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.563 5.456 -1.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.781 8.997 -0.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.016 7.013 -0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.605 8.762 0.527 1.00 0.00 H new ATOM 567 N TYR A 37 5.527 1.831 -3.578 1.00 0.00 N ATOM 568 CA TYR A 37 4.672 0.809 -4.172 1.00 0.00 C ATOM 569 C TYR A 37 3.329 1.388 -4.599 1.00 0.00 C ATOM 570 O TYR A 37 3.002 2.533 -4.282 1.00 0.00 O ATOM 571 CB TYR A 37 4.446 -0.328 -3.167 1.00 0.00 C ATOM 572 CG TYR A 37 5.550 -1.375 -3.120 1.00 0.00 C ATOM 573 CD1 TYR A 37 6.832 -1.113 -3.598 1.00 0.00 C ATOM 574 CD2 TYR A 37 5.303 -2.633 -2.586 1.00 0.00 C ATOM 575 CE1 TYR A 37 7.827 -2.070 -3.545 1.00 0.00 C ATOM 576 CE2 TYR A 37 6.294 -3.594 -2.529 1.00 0.00 C ATOM 577 CZ TYR A 37 7.553 -3.308 -3.009 1.00 0.00 C ATOM 578 OH TYR A 37 8.540 -4.266 -2.952 1.00 0.00 O ATOM 0 H TYR A 37 5.127 2.294 -2.762 1.00 0.00 H new ATOM 0 HA TYR A 37 5.174 0.424 -5.059 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.333 0.104 -2.173 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.506 -0.824 -3.408 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.052 -0.143 -4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.318 -2.864 -2.208 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.814 -1.848 -3.922 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.082 -4.566 -2.109 1.00 0.00 H new ATOM 0 HH TYR A 37 8.181 -5.082 -2.544 1.00 0.00 H new ATOM 588 N ARG A 38 2.549 0.584 -5.313 1.00 0.00 N ATOM 589 CA ARG A 38 1.235 1.009 -5.776 1.00 0.00 C ATOM 590 C ARG A 38 0.156 0.059 -5.260 1.00 0.00 C ATOM 591 O ARG A 38 0.196 -1.142 -5.532 1.00 0.00 O ATOM 592 CB ARG A 38 1.219 1.106 -7.311 1.00 0.00 C ATOM 593 CG ARG A 38 -0.171 1.208 -7.929 1.00 0.00 C ATOM 594 CD ARG A 38 -0.419 2.582 -8.533 1.00 0.00 C ATOM 595 NE ARG A 38 -1.096 2.504 -9.828 1.00 0.00 N ATOM 596 CZ ARG A 38 -2.302 1.979 -10.007 1.00 0.00 C ATOM 597 NH1 ARG A 38 -2.970 1.477 -8.983 1.00 0.00 N ATOM 598 NH2 ARG A 38 -2.846 1.955 -11.216 1.00 0.00 N ATOM 0 H ARG A 38 2.805 -0.366 -5.583 1.00 0.00 H new ATOM 0 HA ARG A 38 1.019 2.000 -5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.800 1.977 -7.612 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.721 0.230 -7.722 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.283 0.446 -8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.924 1.004 -7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.022 3.176 -7.845 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.532 3.101 -8.653 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.611 2.876 -10.644 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.559 1.492 -8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.896 1.075 -9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.338 2.341 -12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.773 1.551 -11.350 1.00 0.00 H new ATOM 612 N ALA A 39 -0.845 0.614 -4.578 1.00 0.00 N ATOM 613 CA ALA A 39 -1.935 -0.204 -4.055 1.00 0.00 C ATOM 614 C ALA A 39 -3.307 0.453 -4.190 1.00 0.00 C ATOM 615 O ALA A 39 -3.426 1.662 -4.387 1.00 0.00 O ATOM 616 CB ALA A 39 -1.664 -0.547 -2.597 1.00 0.00 C ATOM 0 H ALA A 39 -0.923 1.611 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.966 -1.110 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.479 -1.158 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.728 -1.101 -2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.590 0.372 -2.015 1.00 0.00 H new ATOM 622 N GLU A 40 -4.338 -0.382 -4.073 1.00 0.00 N ATOM 623 CA GLU A 40 -5.730 0.053 -4.170 1.00 0.00 C ATOM 624 C GLU A 40 -6.431 -0.083 -2.812 1.00 0.00 C ATOM 625 O GLU A 40 -6.214 -1.061 -2.093 1.00 0.00 O ATOM 626 CB GLU A 40 -6.459 -0.823 -5.200 1.00 0.00 C ATOM 627 CG GLU A 40 -7.981 -0.742 -5.157 1.00 0.00 C ATOM 628 CD GLU A 40 -8.638 -2.002 -5.691 1.00 0.00 C ATOM 629 OE1 GLU A 40 -8.400 -3.082 -5.111 1.00 0.00 O ATOM 630 OE2 GLU A 40 -9.388 -1.909 -6.684 1.00 0.00 O ATOM 0 H GLU A 40 -4.231 -1.383 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.753 1.099 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.124 -0.539 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.161 -1.860 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.305 -0.573 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.314 0.115 -5.742 1.00 0.00 H new ATOM 637 N LEU A 41 -7.283 0.892 -2.475 1.00 0.00 N ATOM 638 CA LEU A 41 -8.040 0.885 -1.220 1.00 0.00 C ATOM 639 C LEU A 41 -9.385 1.593 -1.423 1.00 0.00 C ATOM 640 O LEU A 41 -9.458 2.635 -2.074 1.00 0.00 O ATOM 641 CB LEU A 41 -7.227 1.558 -0.100 1.00 0.00 C ATOM 642 CG LEU A 41 -8.031 2.182 1.060 1.00 0.00 C ATOM 643 CD1 LEU A 41 -7.882 1.369 2.339 1.00 0.00 C ATOM 644 CD2 LEU A 41 -7.588 3.619 1.298 1.00 0.00 C ATOM 0 H LEU A 41 -7.466 1.705 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.231 -0.146 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.545 0.817 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.613 2.339 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.084 2.175 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.461 1.836 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.247 0.356 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.831 1.333 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.164 4.046 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.528 3.636 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.755 4.205 0.394 1.00 0.00 H new ATOM 656 N ASP A 42 -10.454 0.941 -0.966 1.00 0.00 N ATOM 657 CA ASP A 42 -11.818 1.452 -1.138 1.00 0.00 C ATOM 658 C ASP A 42 -12.141 1.772 -2.603 1.00 0.00 C ATOM 659 O ASP A 42 -12.728 2.812 -2.905 1.00 0.00 O ATOM 660 CB ASP A 42 -12.027 2.695 -0.271 1.00 0.00 C ATOM 661 CG ASP A 42 -13.488 2.949 0.046 1.00 0.00 C ATOM 662 OD1 ASP A 42 -14.351 2.236 -0.508 1.00 0.00 O ATOM 663 OD2 ASP A 42 -13.770 3.864 0.849 1.00 0.00 O ATOM 0 H ASP A 42 -10.403 0.051 -0.470 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.501 0.664 -0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.472 2.581 0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.614 3.564 -0.784 1.00 0.00 H new ATOM 668 N GLY A 43 -11.765 0.869 -3.505 1.00 0.00 N ATOM 669 CA GLY A 43 -12.033 1.074 -4.925 1.00 0.00 C ATOM 670 C GLY A 43 -11.238 2.224 -5.512 1.00 0.00 C ATOM 671 O GLY A 43 -11.555 2.729 -6.590 1.00 0.00 O ATOM 0 H GLY A 43 -11.280 -0.000 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.798 0.160 -5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.097 1.264 -5.066 1.00 0.00 H new ATOM 675 N LYS A 44 -10.230 2.661 -4.773 1.00 0.00 N ATOM 676 CA LYS A 44 -9.381 3.765 -5.194 1.00 0.00 C ATOM 677 C LYS A 44 -7.956 3.253 -5.342 1.00 0.00 C ATOM 678 O LYS A 44 -7.478 2.497 -4.496 1.00 0.00 O ATOM 679 CB LYS A 44 -9.418 4.884 -4.141 1.00 0.00 C ATOM 680 CG LYS A 44 -9.432 6.287 -4.738 1.00 0.00 C ATOM 681 CD LYS A 44 -8.762 7.293 -3.817 1.00 0.00 C ATOM 682 CE LYS A 44 -9.767 8.030 -2.951 1.00 0.00 C ATOM 683 NZ LYS A 44 -9.173 9.230 -2.299 1.00 0.00 N ATOM 0 H LYS A 44 -9.978 2.263 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.737 4.163 -6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.303 4.755 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.551 4.785 -3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.922 6.278 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.461 6.593 -4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.043 6.778 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.201 8.013 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.617 8.334 -3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.149 7.354 -2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.895 9.702 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.378 8.939 -1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.831 9.888 -3.028 1.00 0.00 H new ATOM 697 N GLU A 45 -7.250 3.705 -6.370 1.00 0.00 N ATOM 698 CA GLU A 45 -5.866 3.298 -6.560 1.00 0.00 C ATOM 699 C GLU A 45 -4.939 4.437 -6.186 1.00 0.00 C ATOM 700 O GLU A 45 -5.393 5.546 -5.904 1.00 0.00 O ATOM 701 CB GLU A 45 -5.607 2.845 -7.998 1.00 0.00 C ATOM 702 CG GLU A 45 -6.079 1.429 -8.292 1.00 0.00 C ATOM 703 CD GLU A 45 -7.120 1.375 -9.392 1.00 0.00 C ATOM 704 OE1 GLU A 45 -6.952 2.087 -10.405 1.00 0.00 O ATOM 705 OE2 GLU A 45 -8.101 0.617 -9.243 1.00 0.00 O ATOM 0 H GLU A 45 -7.608 4.346 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.669 2.447 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.106 3.533 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.538 2.911 -8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.223 0.817 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.494 0.993 -7.383 1.00 0.00 H new ATOM 712 N GLY A 46 -3.661 4.113 -6.010 1.00 0.00 N ATOM 713 CA GLY A 46 -2.703 5.092 -5.553 1.00 0.00 C ATOM 714 C GLY A 46 -1.360 4.491 -5.217 1.00 0.00 C ATOM 715 O GLY A 46 -1.108 3.312 -5.461 1.00 0.00 O ATOM 0 H GLY A 46 -3.275 3.184 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.572 5.852 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.100 5.597 -4.672 1.00 0.00 H new ATOM 719 N LEU A 47 -0.484 5.346 -4.717 1.00 0.00 N ATOM 720 CA LEU A 47 0.871 4.944 -4.354 1.00 0.00 C ATOM 721 C LEU A 47 1.040 4.987 -2.832 1.00 0.00 C ATOM 722 O LEU A 47 0.388 5.777 -2.151 1.00 0.00 O ATOM 723 CB LEU A 47 1.899 5.868 -5.013 1.00 0.00 C ATOM 724 CG LEU A 47 2.674 5.241 -6.170 1.00 0.00 C ATOM 725 CD1 LEU A 47 1.904 5.390 -7.472 1.00 0.00 C ATOM 726 CD2 LEU A 47 4.054 5.864 -6.287 1.00 0.00 C ATOM 0 H LEU A 47 -0.686 6.332 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 47 1.036 3.926 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.386 6.758 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.609 6.198 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 47 2.796 4.177 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.472 4.937 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.939 4.892 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.748 6.448 -7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.591 5.405 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.956 6.935 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.607 5.700 -5.362 1.00 0.00 H new ATOM 738 N ILE A 48 1.913 4.135 -2.304 1.00 0.00 N ATOM 739 CA ILE A 48 2.152 4.088 -0.861 1.00 0.00 C ATOM 740 C ILE A 48 3.651 4.024 -0.552 1.00 0.00 C ATOM 741 O ILE A 48 4.438 3.623 -1.407 1.00 0.00 O ATOM 742 CB ILE A 48 1.454 2.864 -0.227 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.018 1.563 -0.794 1.00 0.00 C ATOM 744 CG2 ILE A 48 -0.044 2.925 -0.469 1.00 0.00 C ATOM 745 CD1 ILE A 48 1.530 0.339 -0.069 1.00 0.00 C ATOM 0 H ILE A 48 2.465 3.471 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 48 1.738 5.002 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 48 1.643 2.886 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.747 1.486 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.106 1.595 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.521 2.056 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.448 3.834 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.239 2.929 -1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.968 -0.551 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.824 0.395 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.444 0.284 -0.138 1.00 0.00 H new ATOM 757 N PRO A 49 4.081 4.399 0.675 1.00 0.00 N ATOM 758 CA PRO A 49 5.489 4.343 1.037 1.00 0.00 C ATOM 759 C PRO A 49 5.841 2.906 1.421 1.00 0.00 C ATOM 760 O PRO A 49 5.241 2.335 2.329 1.00 0.00 O ATOM 761 CB PRO A 49 5.597 5.311 2.212 1.00 0.00 C ATOM 762 CG PRO A 49 4.244 5.290 2.851 1.00 0.00 C ATOM 763 CD PRO A 49 3.248 4.873 1.788 1.00 0.00 C ATOM 0 HA PRO A 49 6.178 4.619 0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.370 4.997 2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.860 6.314 1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.226 4.593 3.689 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.992 6.273 3.249 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.585 4.088 2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.617 5.708 1.485 1.00 0.00 H new ATOM 771 N SER A 50 6.767 2.308 0.679 1.00 0.00 N ATOM 772 CA SER A 50 7.156 0.904 0.855 1.00 0.00 C ATOM 773 C SER A 50 7.495 0.442 2.282 1.00 0.00 C ATOM 774 O SER A 50 7.039 -0.611 2.727 1.00 0.00 O ATOM 775 CB SER A 50 8.329 0.563 -0.063 1.00 0.00 C ATOM 776 OG SER A 50 9.532 1.136 0.414 1.00 0.00 O ATOM 0 H SER A 50 7.275 2.783 -0.067 1.00 0.00 H new ATOM 0 HA SER A 50 6.248 0.360 0.595 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.440 -0.519 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.124 0.926 -1.070 1.00 0.00 H new ATOM 0 HG SER A 50 10.182 0.426 0.597 1.00 0.00 H new ATOM 782 N ASN A 51 8.230 1.273 3.009 1.00 0.00 N ATOM 783 CA ASN A 51 8.610 0.965 4.393 1.00 0.00 C ATOM 784 C ASN A 51 7.407 0.939 5.348 1.00 0.00 C ATOM 785 O ASN A 51 7.529 0.477 6.482 1.00 0.00 O ATOM 786 CB ASN A 51 9.635 1.992 4.867 1.00 0.00 C ATOM 787 CG ASN A 51 10.969 1.840 4.168 1.00 0.00 C ATOM 788 OD1 ASN A 51 11.670 0.844 4.347 1.00 0.00 O ATOM 789 ND2 ASN A 51 11.328 2.827 3.365 1.00 0.00 N ATOM 0 H ASN A 51 8.579 2.169 2.668 1.00 0.00 H new ATOM 0 HA ASN A 51 9.039 -0.037 4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.248 2.996 4.691 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.778 1.889 5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.216 2.781 2.865 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.717 3.635 3.245 1.00 0.00 H new ATOM 796 N TYR A 52 6.252 1.411 4.894 1.00 0.00 N ATOM 797 CA TYR A 52 5.052 1.430 5.739 1.00 0.00 C ATOM 798 C TYR A 52 4.131 0.227 5.510 1.00 0.00 C ATOM 799 O TYR A 52 3.031 0.179 6.070 1.00 0.00 O ATOM 800 CB TYR A 52 4.260 2.707 5.474 1.00 0.00 C ATOM 801 CG TYR A 52 4.845 3.934 6.139 1.00 0.00 C ATOM 802 CD1 TYR A 52 6.122 4.384 5.818 1.00 0.00 C ATOM 803 CD2 TYR A 52 4.120 4.646 7.089 1.00 0.00 C ATOM 804 CE1 TYR A 52 6.657 5.504 6.424 1.00 0.00 C ATOM 805 CE2 TYR A 52 4.651 5.766 7.697 1.00 0.00 C ATOM 806 CZ TYR A 52 5.920 6.190 7.360 1.00 0.00 C ATOM 807 OH TYR A 52 6.453 7.304 7.960 1.00 0.00 O ATOM 0 H TYR A 52 6.116 1.784 3.954 1.00 0.00 H new ATOM 0 HA TYR A 52 5.399 1.385 6.771 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.210 2.876 4.398 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.237 2.568 5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.704 3.849 5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.126 4.317 7.355 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.650 5.839 6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.076 6.308 8.433 1.00 0.00 H new ATOM 0 HH TYR A 52 5.806 7.674 8.596 1.00 0.00 H new ATOM 817 N ILE A 53 4.553 -0.743 4.705 1.00 0.00 N ATOM 818 CA ILE A 53 3.717 -1.917 4.451 1.00 0.00 C ATOM 819 C ILE A 53 4.522 -3.212 4.456 1.00 0.00 C ATOM 820 O ILE A 53 5.752 -3.194 4.445 1.00 0.00 O ATOM 821 CB ILE A 53 2.976 -1.802 3.113 1.00 0.00 C ATOM 822 CG1 ILE A 53 3.969 -1.643 1.960 1.00 0.00 C ATOM 823 CG2 ILE A 53 2.007 -0.636 3.157 1.00 0.00 C ATOM 824 CD1 ILE A 53 3.435 -2.134 0.632 1.00 0.00 C ATOM 0 H ILE A 53 5.452 -0.744 4.224 1.00 0.00 H new ATOM 0 HA ILE A 53 2.995 -1.950 5.267 1.00 0.00 H new ATOM 0 HB ILE A 53 2.410 -2.718 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.241 -0.591 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.882 -2.188 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.485 -0.561 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.283 -0.795 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.556 0.287 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.191 -1.991 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.190 -3.193 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.538 -1.572 0.370 1.00 0.00 H new ATOM 836 N GLU A 54 3.807 -4.333 4.471 1.00 0.00 N ATOM 837 CA GLU A 54 4.436 -5.652 4.478 1.00 0.00 C ATOM 838 C GLU A 54 3.484 -6.698 3.895 1.00 0.00 C ATOM 839 O GLU A 54 2.268 -6.609 4.071 1.00 0.00 O ATOM 840 CB GLU A 54 4.851 -6.038 5.907 1.00 0.00 C ATOM 841 CG GLU A 54 6.013 -7.024 5.988 1.00 0.00 C ATOM 842 CD GLU A 54 7.107 -6.756 4.970 1.00 0.00 C ATOM 843 OE1 GLU A 54 7.835 -5.754 5.130 1.00 0.00 O ATOM 844 OE2 GLU A 54 7.238 -7.553 4.016 1.00 0.00 O ATOM 0 H GLU A 54 2.787 -4.355 4.479 1.00 0.00 H new ATOM 0 HA GLU A 54 5.331 -5.615 3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.122 -5.132 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.990 -6.469 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.442 -6.986 6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.632 -8.035 5.843 1.00 0.00 H new