USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 499 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 14 CYS SG : rot 144:sc= 0.369 USER MOD Set 1.2: A 23 CYS SG : rot -22:sc= 0.945 USER MOD Set 1.3: A 26 CYS SG : rot -179:sc= -3.11! USER MOD Set 2.1: A 9 MET CE :methyl -166:sc=-0.00965 (180deg=0) USER MOD Set 2.2: A 11 GLN : amide:sc= 0.468 K(o=0.46,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0265 (180deg=0) USER MOD Single : A 2 SER OG : rot 167:sc= 0.227 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -4:sc= 0.374 USER MOD Single : A 8 THR OG1 : rot 81:sc= 0.551 USER MOD Single : A 16 HIS : no HD1:sc= -0.0877 X(o=-0.088,f=-0.096) USER MOD Single : A 17 SER OG : rot 178:sc= 0.0133 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.724 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0463 (180deg=-0.366) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0958 X(o=-0.096,f=-0.042) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 48:sc= -0.94 USER MOD Single : A 64 MET CE :methyl 138:sc= -0.29 (180deg=-0.508) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.482 -10.274 -14.499 1.00100.00 N ATOM 2 CA GLY A 1 -11.680 -11.286 -13.787 1.00100.00 C ATOM 3 C GLY A 1 -10.637 -11.844 -14.696 1.00100.00 C ATOM 4 O GLY A 1 -10.856 -12.059 -15.890 1.00100.00 O ATOM 0 H1 GLY A 1 -13.487 -10.395 -14.259 1.00100.00 H new ATOM 0 H2 GLY A 1 -12.171 -9.323 -14.216 1.00100.00 H new ATOM 0 H3 GLY A 1 -12.355 -10.389 -15.525 1.00100.00 H new ATOM 0 HA2 GLY A 1 -11.209 -10.839 -12.912 1.00100.00 H new ATOM 0 HA3 GLY A 1 -12.326 -12.087 -13.427 1.00100.00 H new ATOM 10 N SER A 2 -9.450 -12.053 -14.087 1.00100.00 N ATOM 11 CA SER A 2 -8.311 -12.585 -14.780 1.00100.00 C ATOM 12 C SER A 2 -7.785 -13.750 -14.005 1.00100.00 C ATOM 13 O SER A 2 -7.960 -13.835 -12.783 1.00100.00 O ATOM 14 CB SER A 2 -7.170 -11.557 -14.980 1.00100.00 C ATOM 15 OG SER A 2 -6.694 -11.125 -13.723 1.00100.00 O ATOM 0 H SER A 2 -9.279 -11.850 -13.102 1.00100.00 H new ATOM 0 HA SER A 2 -8.648 -12.876 -15.775 1.00100.00 H new ATOM 0 HB2 SER A 2 -6.358 -12.007 -15.552 1.00100.00 H new ATOM 0 HB3 SER A 2 -7.532 -10.705 -15.555 1.00100.00 H new ATOM 0 HG SER A 2 -5.846 -10.647 -13.841 1.00100.00 H new ATOM 21 N THR A 3 -7.137 -14.692 -14.727 1.00100.00 N ATOM 22 CA THR A 3 -6.575 -15.861 -14.115 1.00100.00 C ATOM 23 C THR A 3 -5.219 -15.454 -13.613 1.00100.00 C ATOM 24 O THR A 3 -4.189 -15.613 -14.268 1.00100.00 O ATOM 25 CB THR A 3 -6.509 -17.052 -15.046 1.00100.00 C ATOM 26 OG1 THR A 3 -7.803 -17.339 -15.528 1.00100.00 O ATOM 27 CG2 THR A 3 -5.969 -18.275 -14.306 1.00100.00 C ATOM 0 H THR A 3 -7.003 -14.641 -15.737 1.00100.00 H new ATOM 0 HA THR A 3 -7.213 -16.205 -13.301 1.00100.00 H new ATOM 0 HB THR A 3 -5.843 -16.815 -15.876 1.00100.00 H new ATOM 0 HG1 THR A 3 -7.763 -18.109 -16.133 1.00100.00 H new ATOM 0 HG21 THR A 3 -5.927 -19.124 -14.988 1.00100.00 H new ATOM 0 HG22 THR A 3 -4.968 -18.061 -13.931 1.00100.00 H new ATOM 0 HG23 THR A 3 -6.626 -18.514 -13.470 1.00100.00 H new ATOM 35 N ALA A 4 -5.247 -14.850 -12.413 1.00100.00 N ATOM 36 CA ALA A 4 -4.088 -14.382 -11.724 1.00100.00 C ATOM 37 C ALA A 4 -3.992 -15.267 -10.532 1.00100.00 C ATOM 38 O ALA A 4 -5.006 -15.644 -9.932 1.00100.00 O ATOM 39 CB ALA A 4 -4.215 -12.929 -11.222 1.00100.00 C ATOM 0 H ALA A 4 -6.114 -14.681 -11.902 1.00100.00 H new ATOM 0 HA ALA A 4 -3.227 -14.402 -12.392 1.00100.00 H new ATOM 0 HB1 ALA A 4 -3.298 -12.640 -10.708 1.00100.00 H new ATOM 0 HB2 ALA A 4 -4.381 -12.264 -12.070 1.00100.00 H new ATOM 0 HB3 ALA A 4 -5.056 -12.854 -10.533 1.00100.00 H new ATOM 45 N MET A 5 -2.738 -15.627 -10.179 1.00100.00 N ATOM 46 CA MET A 5 -2.491 -16.483 -9.055 1.00100.00 C ATOM 47 C MET A 5 -2.952 -15.836 -7.781 1.00100.00 C ATOM 48 O MET A 5 -2.893 -14.611 -7.635 1.00100.00 O ATOM 49 CB MET A 5 -1.006 -16.905 -8.916 1.00100.00 C ATOM 50 CG MET A 5 -0.120 -15.760 -8.417 1.00100.00 C ATOM 51 SD MET A 5 -0.056 -14.302 -9.489 1.00100.00 S ATOM 52 CE MET A 5 1.044 -13.266 -8.489 1.00100.00 C ATOM 0 H MET A 5 -1.898 -15.325 -10.672 1.00100.00 H new ATOM 0 HA MET A 5 -3.066 -17.390 -9.241 1.00100.00 H new ATOM 0 HB2 MET A 5 -0.933 -17.745 -8.226 1.00100.00 H new ATOM 0 HB3 MET A 5 -0.638 -17.252 -9.881 1.00100.00 H new ATOM 0 HG2 MET A 5 -0.474 -15.451 -7.434 1.00100.00 H new ATOM 0 HG3 MET A 5 0.894 -16.138 -8.286 1.00100.00 H new ATOM 0 HE1 MET A 5 1.204 -12.313 -8.993 1.00100.00 H new ATOM 0 HE2 MET A 5 0.590 -13.089 -7.514 1.00100.00 H new ATOM 0 HE3 MET A 5 2.001 -13.772 -8.358 1.00100.00 H new ATOM 62 N ALA A 6 -3.760 -16.634 -7.044 1.00100.00 N ATOM 63 CA ALA A 6 -4.376 -16.296 -5.786 1.00100.00 C ATOM 64 C ALA A 6 -5.274 -15.080 -5.881 1.00100.00 C ATOM 65 O ALA A 6 -5.468 -14.358 -4.900 1.00100.00 O ATOM 66 CB ALA A 6 -3.343 -16.136 -4.642 1.00100.00 C ATOM 0 H ALA A 6 -3.998 -17.578 -7.348 1.00100.00 H new ATOM 0 HA ALA A 6 -5.011 -17.146 -5.536 1.00100.00 H new ATOM 0 HB1 ALA A 6 -3.861 -15.881 -3.717 1.00100.00 H new ATOM 0 HB2 ALA A 6 -2.800 -17.072 -4.508 1.00100.00 H new ATOM 0 HB3 ALA A 6 -2.640 -15.342 -4.895 1.00100.00 H new ATOM 72 N THR A 7 -5.856 -14.857 -7.092 1.00100.00 N ATOM 73 CA THR A 7 -6.753 -13.778 -7.435 1.00100.00 C ATOM 74 C THR A 7 -6.207 -12.412 -7.067 1.00100.00 C ATOM 75 O THR A 7 -6.915 -11.560 -6.525 1.00100.00 O ATOM 76 CB THR A 7 -8.182 -14.008 -6.971 1.00100.00 C ATOM 77 OG1 THR A 7 -8.231 -14.062 -5.562 1.00100.00 O ATOM 78 CG2 THR A 7 -8.720 -15.317 -7.549 1.00100.00 C ATOM 0 H THR A 7 -5.685 -15.477 -7.884 1.00100.00 H new ATOM 0 HA THR A 7 -6.810 -13.781 -8.524 1.00100.00 H new ATOM 0 HB THR A 7 -8.798 -13.180 -7.322 1.00100.00 H new ATOM 0 HG1 THR A 7 -7.322 -14.006 -5.201 1.00100.00 H new ATOM 0 HG21 THR A 7 -9.744 -15.471 -7.210 1.00100.00 H new ATOM 0 HG22 THR A 7 -8.702 -15.269 -8.638 1.00100.00 H new ATOM 0 HG23 THR A 7 -8.098 -16.146 -7.212 1.00100.00 H new ATOM 86 N THR A 8 -4.899 -12.193 -7.355 1.00100.00 N ATOM 87 CA THR A 8 -4.215 -10.951 -7.069 1.00100.00 C ATOM 88 C THR A 8 -4.698 -9.920 -8.059 1.00100.00 C ATOM 89 O THR A 8 -4.882 -10.215 -9.243 1.00100.00 O ATOM 90 CB THR A 8 -2.706 -11.111 -7.119 1.00100.00 C ATOM 91 OG1 THR A 8 -2.320 -12.094 -6.184 1.00100.00 O ATOM 92 CG2 THR A 8 -2.001 -9.799 -6.784 1.00100.00 C ATOM 0 H THR A 8 -4.303 -12.893 -7.796 1.00100.00 H new ATOM 0 HA THR A 8 -4.445 -10.629 -6.053 1.00100.00 H new ATOM 0 HB THR A 8 -2.421 -11.407 -8.129 1.00100.00 H new ATOM 0 HG1 THR A 8 -2.456 -12.984 -6.570 1.00100.00 H new ATOM 0 HG21 THR A 8 -0.922 -9.944 -6.828 1.00100.00 H new ATOM 0 HG22 THR A 8 -2.294 -9.035 -7.504 1.00100.00 H new ATOM 0 HG23 THR A 8 -2.284 -9.480 -5.781 1.00100.00 H new ATOM 100 N MET A 9 -4.933 -8.680 -7.562 1.00100.00 N ATOM 101 CA MET A 9 -5.409 -7.607 -8.391 1.00100.00 C ATOM 102 C MET A 9 -4.228 -7.095 -9.168 1.00100.00 C ATOM 103 O MET A 9 -3.118 -6.969 -8.648 1.00100.00 O ATOM 104 CB MET A 9 -6.045 -6.448 -7.599 1.00100.00 C ATOM 105 CG MET A 9 -6.884 -5.597 -8.550 1.00100.00 C ATOM 106 SD MET A 9 -8.319 -6.487 -9.210 1.00100.00 S ATOM 107 CE MET A 9 -8.941 -5.243 -10.367 1.00100.00 C ATOM 0 H MET A 9 -4.792 -8.424 -6.585 1.00100.00 H new ATOM 0 HA MET A 9 -6.198 -7.995 -9.035 1.00100.00 H new ATOM 0 HB2 MET A 9 -6.668 -6.839 -6.795 1.00100.00 H new ATOM 0 HB3 MET A 9 -5.269 -5.839 -7.134 1.00100.00 H new ATOM 0 HG2 MET A 9 -7.226 -4.704 -8.026 1.00100.00 H new ATOM 0 HG3 MET A 9 -6.259 -5.261 -9.377 1.00100.00 H new ATOM 0 HE1 MET A 9 -9.951 -5.509 -10.680 1.00100.00 H new ATOM 0 HE2 MET A 9 -8.958 -4.268 -9.879 1.00100.00 H new ATOM 0 HE3 MET A 9 -8.290 -5.201 -11.240 1.00100.00 H new ATOM 117 N GLU A 10 -4.435 -6.979 -10.493 1.00100.00 N ATOM 118 CA GLU A 10 -3.440 -6.558 -11.440 1.00100.00 C ATOM 119 C GLU A 10 -2.886 -5.177 -11.295 1.00100.00 C ATOM 120 O GLU A 10 -1.667 -5.021 -11.416 1.00100.00 O ATOM 121 CB GLU A 10 -3.914 -6.719 -12.892 1.00100.00 C ATOM 122 CG GLU A 10 -4.324 -8.167 -13.162 1.00100.00 C ATOM 123 CD GLU A 10 -4.748 -8.368 -14.612 1.00100.00 C ATOM 124 OE1 GLU A 10 -5.255 -7.390 -15.203 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -4.562 -9.502 -15.103 1.00100.00 O ATOM 0 H GLU A 10 -5.335 -7.187 -10.926 1.00100.00 H new ATOM 0 HA GLU A 10 -2.624 -7.238 -11.195 1.00100.00 H new ATOM 0 HB2 GLU A 10 -4.757 -6.054 -13.082 1.00100.00 H new ATOM 0 HB3 GLU A 10 -3.117 -6.427 -13.576 1.00100.00 H new ATOM 0 HG2 GLU A 10 -3.491 -8.831 -12.930 1.00100.00 H new ATOM 0 HG3 GLU A 10 -5.145 -8.443 -12.500 1.00100.00 H new ATOM 132 N GLN A 11 -3.735 -4.156 -11.007 1.00100.00 N ATOM 133 CA GLN A 11 -3.219 -2.807 -10.912 1.00100.00 C ATOM 134 C GLN A 11 -2.378 -2.576 -9.694 1.00100.00 C ATOM 135 O GLN A 11 -2.480 -3.271 -8.678 1.00100.00 O ATOM 136 CB GLN A 11 -4.220 -1.622 -11.005 1.00100.00 C ATOM 137 CG GLN A 11 -5.291 -1.705 -9.918 1.00100.00 C ATOM 138 CD GLN A 11 -6.562 -2.369 -10.422 1.00100.00 C ATOM 139 OE1 GLN A 11 -6.508 -3.367 -11.136 1.00100.00 O ATOM 140 NE2 GLN A 11 -7.715 -1.810 -10.047 1.00100.00 N ATOM 0 H GLN A 11 -4.737 -4.255 -10.846 1.00100.00 H new ATOM 0 HA GLN A 11 -2.632 -2.787 -11.830 1.00100.00 H new ATOM 0 HB2 GLN A 11 -3.679 -0.680 -10.913 1.00100.00 H new ATOM 0 HB3 GLN A 11 -4.695 -1.622 -11.986 1.00100.00 H new ATOM 0 HG2 GLN A 11 -4.902 -2.265 -9.067 1.00100.00 H new ATOM 0 HG3 GLN A 11 -5.523 -0.702 -9.560 1.00100.00 H new ATOM 0 HE21 GLN A 11 -7.710 -0.981 -9.453 1.00100.00 H new ATOM 0 HE22 GLN A 11 -8.601 -2.212 -10.355 1.00100.00 H new ATOM 149 N GLU A 12 -1.516 -1.544 -9.812 1.00100.00 N ATOM 150 CA GLU A 12 -0.602 -1.152 -8.783 1.00100.00 C ATOM 151 C GLU A 12 -1.326 -0.293 -7.774 1.00100.00 C ATOM 152 O GLU A 12 -1.371 0.934 -7.856 1.00100.00 O ATOM 153 CB GLU A 12 0.641 -0.444 -9.369 1.00100.00 C ATOM 154 CG GLU A 12 1.331 -1.258 -10.461 1.00100.00 C ATOM 155 CD GLU A 12 2.671 -0.642 -10.842 1.00100.00 C ATOM 156 OE1 GLU A 12 2.784 0.599 -10.742 1.00100.00 O ATOM 157 OE2 GLU A 12 3.565 -1.427 -11.225 1.00100.00 O1- ATOM 0 H GLU A 12 -1.455 -0.966 -10.650 1.00100.00 H new ATOM 0 HA GLU A 12 -0.231 -2.042 -8.275 1.00100.00 H new ATOM 0 HB2 GLU A 12 0.344 0.522 -9.777 1.00100.00 H new ATOM 0 HB3 GLU A 12 1.352 -0.246 -8.567 1.00100.00 H new ATOM 0 HG2 GLU A 12 1.483 -2.281 -10.115 1.00100.00 H new ATOM 0 HG3 GLU A 12 0.689 -1.311 -11.340 1.00100.00 H new ATOM 164 N ILE A 13 -1.936 -0.994 -6.790 1.00100.00 N ATOM 165 CA ILE A 13 -2.721 -0.415 -5.727 1.00100.00 C ATOM 166 C ILE A 13 -2.030 0.107 -4.494 1.00100.00 C ATOM 167 O ILE A 13 -2.690 0.787 -3.704 1.00100.00 O ATOM 168 CB ILE A 13 -3.898 -1.287 -5.285 1.00100.00 C ATOM 169 CG1 ILE A 13 -3.484 -2.668 -4.761 1.00100.00 C ATOM 170 CG2 ILE A 13 -4.818 -1.511 -6.480 1.00100.00 C ATOM 171 CD1 ILE A 13 -2.817 -2.600 -3.389 1.00100.00 C ATOM 0 H ILE A 13 -1.880 -2.011 -6.732 1.00100.00 H new ATOM 0 HA ILE A 13 -3.055 0.478 -6.256 1.00100.00 H new ATOM 0 HB ILE A 13 -4.385 -0.754 -4.468 1.00100.00 H new ATOM 0 HG12 ILE A 13 -4.364 -3.309 -4.702 1.00100.00 H new ATOM 0 HG13 ILE A 13 -2.799 -3.132 -5.471 1.00100.00 H new ATOM 0 HG21 ILE A 13 -5.662 -2.132 -6.178 1.00100.00 H new ATOM 0 HG22 ILE A 13 -5.185 -0.550 -6.842 1.00100.00 H new ATOM 0 HG23 ILE A 13 -4.266 -2.011 -7.276 1.00100.00 H new ATOM 0 HD11 ILE A 13 -2.545 -3.605 -3.067 1.00100.00 H new ATOM 0 HD12 ILE A 13 -1.920 -1.983 -3.450 1.00100.00 H new ATOM 0 HD13 ILE A 13 -3.509 -2.163 -2.669 1.00100.00 H new ATOM 183 N CYS A 14 -0.716 -0.167 -4.290 1.00100.00 N ATOM 184 CA CYS A 14 -0.008 0.307 -3.113 1.00100.00 C ATOM 185 C CYS A 14 0.034 1.807 -3.133 1.00100.00 C ATOM 186 O CYS A 14 0.084 2.438 -4.191 1.00100.00 O ATOM 187 CB CYS A 14 1.414 -0.261 -2.898 1.00100.00 C ATOM 188 SG CYS A 14 2.073 0.224 -1.282 1.00100.00 S ATOM 0 H CYS A 14 -0.143 -0.713 -4.933 1.00100.00 H new ATOM 0 HA CYS A 14 -0.578 -0.072 -2.265 1.00100.00 H new ATOM 0 HB2 CYS A 14 1.390 -1.348 -2.973 1.00100.00 H new ATOM 0 HB3 CYS A 14 2.075 0.098 -3.686 1.00100.00 H new ATOM 0 HG CYS A 14 2.790 -0.746 -0.797 1.00100.00 H new ATOM 193 N ALA A 15 0.002 2.389 -1.913 1.00100.00 N ATOM 194 CA ALA A 15 -0.034 3.808 -1.670 1.00100.00 C ATOM 195 C ALA A 15 1.147 4.532 -2.237 1.00100.00 C ATOM 196 O ALA A 15 0.975 5.605 -2.820 1.00100.00 O ATOM 197 CB ALA A 15 -0.087 4.128 -0.168 1.00100.00 C ATOM 0 H ALA A 15 0.001 1.842 -1.052 1.00100.00 H new ATOM 0 HA ALA A 15 -0.940 4.149 -2.170 1.00100.00 H new ATOM 0 HB1 ALA A 15 -0.113 5.209 -0.027 1.00100.00 H new ATOM 0 HB2 ALA A 15 -0.982 3.684 0.267 1.00100.00 H new ATOM 0 HB3 ALA A 15 0.796 3.719 0.322 1.00100.00 H new ATOM 203 N HIS A 16 2.358 3.949 -2.087 1.00100.00 N ATOM 204 CA HIS A 16 3.573 4.533 -2.589 1.00100.00 C ATOM 205 C HIS A 16 3.585 4.661 -4.088 1.00100.00 C ATOM 206 O HIS A 16 4.029 5.708 -4.562 1.00100.00 O ATOM 207 CB HIS A 16 4.826 3.781 -2.145 1.00100.00 C ATOM 208 CG HIS A 16 5.102 3.881 -0.673 1.00100.00 C ATOM 209 ND1 HIS A 16 4.377 3.286 0.334 1.00100.00 N ATOM 210 CD2 HIS A 16 6.139 4.564 -0.096 1.00100.00 C ATOM 211 CE1 HIS A 16 4.972 3.613 1.496 1.00100.00 C ATOM 212 NE2 HIS A 16 6.048 4.390 1.286 1.00100.00 N ATOM 0 H HIS A 16 2.496 3.058 -1.610 1.00100.00 H new ATOM 0 HA HIS A 16 3.593 5.531 -2.151 1.00100.00 H new ATOM 0 HB2 HIS A 16 4.723 2.730 -2.415 1.00100.00 H new ATOM 0 HB3 HIS A 16 5.685 4.168 -2.693 1.00100.00 H new ATOM 0 HD2 HIS A 16 6.893 5.135 -0.617 1.00100.00 H new ATOM 0 HE1 HIS A 16 4.630 3.293 2.469 1.00100.00 H new ATOM 0 HE2 HIS A 16 6.673 4.775 1.994 1.00100.00 H new ATOM 219 N SER A 17 3.102 3.607 -4.831 1.00100.00 N ATOM 220 CA SER A 17 3.042 3.579 -6.288 1.00100.00 C ATOM 221 C SER A 17 2.837 2.195 -6.848 1.00100.00 C ATOM 222 O SER A 17 1.958 1.996 -7.682 1.00100.00 O ATOM 223 CB SER A 17 4.306 4.097 -7.040 1.00100.00 C ATOM 224 OG SER A 17 5.458 3.408 -6.605 1.00100.00 O ATOM 0 H SER A 17 2.745 2.754 -4.401 1.00100.00 H new ATOM 0 HA SER A 17 2.198 4.247 -6.459 1.00100.00 H new ATOM 0 HB2 SER A 17 4.178 3.962 -8.114 1.00100.00 H new ATOM 0 HB3 SER A 17 4.427 5.166 -6.866 1.00100.00 H new ATOM 0 HG SER A 17 6.238 3.727 -7.105 1.00100.00 H new ATOM 230 N MET A 18 3.629 1.209 -6.364 1.00100.00 N ATOM 231 CA MET A 18 3.614 -0.155 -6.846 1.00100.00 C ATOM 232 C MET A 18 2.520 -1.038 -6.315 1.00100.00 C ATOM 233 O MET A 18 1.465 -0.522 -5.967 1.00100.00 O ATOM 234 CB MET A 18 4.993 -0.820 -6.693 1.00100.00 C ATOM 235 CG MET A 18 6.116 0.021 -7.289 1.00100.00 C ATOM 236 SD MET A 18 7.707 -0.841 -7.269 1.00100.00 S ATOM 237 CE MET A 18 8.724 0.417 -8.077 1.00100.00 C ATOM 0 H MET A 18 4.302 1.363 -5.613 1.00100.00 H new ATOM 0 HA MET A 18 3.373 -0.051 -7.904 1.00100.00 H new ATOM 0 HB2 MET A 18 5.194 -0.992 -5.636 1.00100.00 H new ATOM 0 HB3 MET A 18 4.978 -1.796 -7.178 1.00100.00 H new ATOM 0 HG2 MET A 18 5.862 0.286 -8.315 1.00100.00 H new ATOM 0 HG3 MET A 18 6.204 0.953 -6.731 1.00100.00 H new ATOM 0 HE1 MET A 18 9.751 0.060 -8.155 1.00100.00 H new ATOM 0 HE2 MET A 18 8.333 0.616 -9.075 1.00100.00 H new ATOM 0 HE3 MET A 18 8.702 1.335 -7.489 1.00100.00 H new ATOM 247 N THR A 19 2.529 -2.323 -6.762 1.00100.00 N ATOM 248 CA THR A 19 1.568 -3.349 -6.409 1.00100.00 C ATOM 249 C THR A 19 1.806 -3.788 -4.970 1.00100.00 C ATOM 250 O THR A 19 2.843 -3.486 -4.378 1.00100.00 O ATOM 251 CB THR A 19 1.687 -4.532 -7.385 1.00100.00 C ATOM 252 OG1 THR A 19 1.495 -4.071 -8.700 1.00100.00 O ATOM 253 CG2 THR A 19 0.643 -5.616 -7.116 1.00100.00 C ATOM 0 H THR A 19 3.245 -2.664 -7.404 1.00100.00 H new ATOM 0 HA THR A 19 0.555 -2.954 -6.484 1.00100.00 H new ATOM 0 HB THR A 19 2.679 -4.961 -7.247 1.00100.00 H new ATOM 0 HG1 THR A 19 1.572 -4.822 -9.325 1.00100.00 H new ATOM 0 HG21 THR A 19 0.769 -6.429 -7.832 1.00100.00 H new ATOM 0 HG22 THR A 19 0.770 -6.001 -6.104 1.00100.00 H new ATOM 0 HG23 THR A 19 -0.356 -5.193 -7.220 1.00100.00 H new ATOM 261 N PHE A 20 0.819 -4.500 -4.371 1.00100.00 N ATOM 262 CA PHE A 20 0.832 -5.039 -3.031 1.00100.00 C ATOM 263 C PHE A 20 2.000 -6.004 -2.924 1.00100.00 C ATOM 264 O PHE A 20 2.724 -6.007 -1.930 1.00100.00 O ATOM 265 CB PHE A 20 -0.514 -5.777 -2.819 1.00100.00 C ATOM 266 CG PHE A 20 -0.622 -6.414 -1.456 1.00100.00 C ATOM 267 CD1 PHE A 20 -1.036 -5.649 -0.357 1.00100.00 C ATOM 268 CD2 PHE A 20 -0.288 -7.765 -1.285 1.00100.00 C ATOM 269 CE1 PHE A 20 -1.122 -6.238 0.911 1.00100.00 C ATOM 270 CE2 PHE A 20 -0.374 -8.353 -0.016 1.00100.00 C ATOM 271 CZ PHE A 20 -0.791 -7.589 1.083 1.00100.00 C ATOM 0 H PHE A 20 -0.051 -4.714 -4.859 1.00100.00 H new ATOM 0 HA PHE A 20 0.946 -4.263 -2.274 1.00100.00 H new ATOM 0 HB2 PHE A 20 -1.335 -5.072 -2.952 1.00100.00 H new ATOM 0 HB3 PHE A 20 -0.627 -6.545 -3.584 1.00100.00 H new ATOM 0 HD1 PHE A 20 -1.288 -4.607 -0.488 1.00100.00 H new ATOM 0 HD2 PHE A 20 0.036 -8.352 -2.131 1.00100.00 H new ATOM 0 HE1 PHE A 20 -1.444 -5.650 1.758 1.00100.00 H new ATOM 0 HE2 PHE A 20 -0.119 -9.394 0.115 1.00100.00 H new ATOM 0 HZ PHE A 20 -0.857 -8.041 2.062 1.00100.00 H new ATOM 281 N GLU A 21 2.196 -6.837 -3.966 1.00100.00 N ATOM 282 CA GLU A 21 3.261 -7.798 -4.091 1.00100.00 C ATOM 283 C GLU A 21 4.605 -7.095 -4.153 1.00100.00 C ATOM 284 O GLU A 21 5.580 -7.541 -3.553 1.00100.00 O ATOM 285 CB GLU A 21 3.025 -8.642 -5.355 1.00100.00 C ATOM 286 CG GLU A 21 4.038 -9.780 -5.460 1.00100.00 C ATOM 287 CD GLU A 21 3.715 -10.713 -6.624 1.00100.00 C ATOM 288 OE1 GLU A 21 2.750 -10.412 -7.360 1.00100.00 O ATOM 289 OE2 GLU A 21 4.444 -11.722 -6.755 1.00100.00 O1- ATOM 0 H GLU A 21 1.573 -6.842 -4.773 1.00100.00 H new ATOM 0 HA GLU A 21 3.270 -8.452 -3.219 1.00100.00 H new ATOM 0 HB2 GLU A 21 2.015 -9.052 -5.338 1.00100.00 H new ATOM 0 HB3 GLU A 21 3.096 -8.006 -6.238 1.00100.00 H new ATOM 0 HG2 GLU A 21 5.038 -9.367 -5.591 1.00100.00 H new ATOM 0 HG3 GLU A 21 4.047 -10.347 -4.529 1.00100.00 H new ATOM 296 N GLU A 22 4.649 -5.943 -4.864 1.00100.00 N ATOM 297 CA GLU A 22 5.809 -5.113 -5.087 1.00100.00 C ATOM 298 C GLU A 22 5.958 -4.041 -4.031 1.00100.00 C ATOM 299 O GLU A 22 6.790 -3.139 -4.172 1.00100.00 O ATOM 300 CB GLU A 22 5.758 -4.442 -6.474 1.00100.00 C ATOM 301 CG GLU A 22 5.713 -5.477 -7.595 1.00100.00 C ATOM 302 CD GLU A 22 6.998 -6.292 -7.637 1.00100.00 C ATOM 303 OE1 GLU A 22 8.033 -5.695 -8.002 1.00100.00 O ATOM 304 OE2 GLU A 22 6.925 -7.495 -7.305 1.00100.00 O1- ATOM 0 H GLU A 22 3.816 -5.565 -5.315 1.00100.00 H new ATOM 0 HA GLU A 22 6.671 -5.778 -5.032 1.00100.00 H new ATOM 0 HB2 GLU A 22 4.880 -3.799 -6.536 1.00100.00 H new ATOM 0 HB3 GLU A 22 6.632 -3.803 -6.602 1.00100.00 H new ATOM 0 HG2 GLU A 22 4.862 -6.141 -7.447 1.00100.00 H new ATOM 0 HG3 GLU A 22 5.564 -4.976 -8.552 1.00100.00 H new ATOM 311 N CYS A 23 5.187 -4.141 -2.920 1.00100.00 N ATOM 312 CA CYS A 23 5.200 -3.198 -1.831 1.00100.00 C ATOM 313 C CYS A 23 6.561 -3.050 -1.184 1.00100.00 C ATOM 314 O CYS A 23 6.890 -1.903 -0.908 1.00100.00 O ATOM 315 CB CYS A 23 4.152 -3.493 -0.736 1.00100.00 C ATOM 316 SG CYS A 23 4.145 -2.147 0.475 1.00100.00 S ATOM 0 H CYS A 23 4.530 -4.908 -2.776 1.00100.00 H new ATOM 0 HA CYS A 23 4.934 -2.256 -2.310 1.00100.00 H new ATOM 0 HB2 CYS A 23 3.164 -3.599 -1.183 1.00100.00 H new ATOM 0 HB3 CYS A 23 4.382 -4.438 -0.243 1.00100.00 H new ATOM 0 HG CYS A 23 5.276 -1.509 0.421 1.00100.00 H new ATOM 322 N PRO A 24 7.407 -4.106 -0.915 1.00100.00 N ATOM 323 CA PRO A 24 8.715 -3.882 -0.336 1.00100.00 C ATOM 324 C PRO A 24 9.584 -2.991 -1.199 1.00100.00 C ATOM 325 O PRO A 24 10.370 -2.234 -0.630 1.00100.00 O ATOM 326 CB PRO A 24 9.302 -5.268 -0.044 1.00100.00 C ATOM 327 CG PRO A 24 8.575 -6.153 -1.058 1.00100.00 C ATOM 328 CD PRO A 24 7.192 -5.514 -1.179 1.00100.00 C ATOM 0 HA PRO A 24 8.651 -3.320 0.596 1.00100.00 H new ATOM 0 HB2 PRO A 24 10.382 -5.290 -0.187 1.00100.00 H new ATOM 0 HB3 PRO A 24 9.110 -5.583 0.982 1.00100.00 H new ATOM 0 HG2 PRO A 24 9.093 -6.170 -2.017 1.00100.00 H new ATOM 0 HG3 PRO A 24 8.510 -7.185 -0.713 1.00100.00 H new ATOM 0 HD2 PRO A 24 6.770 -5.670 -2.172 1.00100.00 H new ATOM 0 HD3 PRO A 24 6.493 -5.948 -0.464 1.00100.00 H new ATOM 336 N LYS A 25 9.451 -3.070 -2.548 1.00100.00 N ATOM 337 CA LYS A 25 10.190 -2.255 -3.485 1.00100.00 C ATOM 338 C LYS A 25 9.795 -0.807 -3.424 1.00100.00 C ATOM 339 O LYS A 25 10.593 0.054 -3.794 1.00100.00 O ATOM 340 CB LYS A 25 10.118 -2.715 -4.950 1.00100.00 C ATOM 341 CG LYS A 25 10.636 -4.147 -5.077 1.00100.00 C ATOM 342 CD LYS A 25 10.738 -4.542 -6.550 1.00100.00 C ATOM 343 CE LYS A 25 11.797 -3.710 -7.274 1.00100.00 C ATOM 344 NZ LYS A 25 13.130 -3.905 -6.681 1.00100.00 N1+ ATOM 0 H LYS A 25 8.809 -3.721 -3.000 1.00100.00 H new ATOM 0 HA LYS A 25 11.221 -2.381 -3.154 1.00100.00 H new ATOM 0 HB2 LYS A 25 9.090 -2.659 -5.307 1.00100.00 H new ATOM 0 HB3 LYS A 25 10.710 -2.049 -5.578 1.00100.00 H new ATOM 0 HG2 LYS A 25 11.613 -4.232 -4.602 1.00100.00 H new ATOM 0 HG3 LYS A 25 9.967 -4.831 -4.555 1.00100.00 H new ATOM 0 HD2 LYS A 25 10.987 -5.600 -6.629 1.00100.00 H new ATOM 0 HD3 LYS A 25 9.771 -4.405 -7.034 1.00100.00 H new ATOM 0 HE2 LYS A 25 11.822 -3.987 -8.328 1.00100.00 H new ATOM 0 HE3 LYS A 25 11.527 -2.655 -7.228 1.00100.00 H new ATOM 0 HZ1 LYS A 25 13.858 -3.572 -7.346 1.00100.00 H new ATOM 0 HZ2 LYS A 25 13.198 -3.365 -5.795 1.00100.00 H new ATOM 0 HZ3 LYS A 25 13.278 -4.915 -6.483 1.00100.00 H new ATOM 358 N CYS A 26 8.561 -0.513 -2.940 1.00100.00 N ATOM 359 CA CYS A 26 8.022 0.818 -2.795 1.00100.00 C ATOM 360 C CYS A 26 8.870 1.628 -1.849 1.00100.00 C ATOM 361 O CYS A 26 9.037 2.833 -2.052 1.00100.00 O ATOM 362 CB CYS A 26 6.581 0.819 -2.278 1.00100.00 C ATOM 363 SG CYS A 26 5.425 0.155 -3.493 1.00100.00 S ATOM 0 H CYS A 26 7.910 -1.237 -2.636 1.00100.00 H new ATOM 0 HA CYS A 26 8.028 1.260 -3.791 1.00100.00 H new ATOM 0 HB2 CYS A 26 6.524 0.229 -1.363 1.00100.00 H new ATOM 0 HB3 CYS A 26 6.290 1.837 -2.019 1.00100.00 H new ATOM 0 HG CYS A 26 4.218 0.196 -3.012 1.00100.00 H new ATOM 369 N SER A 27 9.415 0.972 -0.793 1.00100.00 N ATOM 370 CA SER A 27 10.266 1.572 0.207 1.00100.00 C ATOM 371 C SER A 27 11.513 2.125 -0.423 1.00100.00 C ATOM 372 O SER A 27 11.995 3.172 0.013 1.00100.00 O ATOM 373 CB SER A 27 10.682 0.576 1.295 1.00100.00 C ATOM 374 OG SER A 27 9.534 0.066 1.934 1.00100.00 O ATOM 0 H SER A 27 9.254 -0.022 -0.630 1.00100.00 H new ATOM 0 HA SER A 27 9.681 2.369 0.666 1.00100.00 H new ATOM 0 HB2 SER A 27 11.258 -0.238 0.855 1.00100.00 H new ATOM 0 HB3 SER A 27 11.328 1.066 2.023 1.00100.00 H new ATOM 0 HG SER A 27 9.802 -0.572 2.628 1.00100.00 H new ATOM 380 N ALA A 28 12.072 1.406 -1.433 1.00100.00 N ATOM 381 CA ALA A 28 13.240 1.836 -2.160 1.00100.00 C ATOM 382 C ALA A 28 12.837 3.051 -2.948 1.00100.00 C ATOM 383 O ALA A 28 11.746 3.106 -3.520 1.00100.00 O ATOM 384 CB ALA A 28 13.783 0.780 -3.134 1.00100.00 C ATOM 0 H ALA A 28 11.703 0.509 -1.748 1.00100.00 H new ATOM 0 HA ALA A 28 14.036 2.031 -1.442 1.00100.00 H new ATOM 0 HB1 ALA A 28 14.661 1.174 -3.645 1.00100.00 H new ATOM 0 HB2 ALA A 28 14.057 -0.118 -2.581 1.00100.00 H new ATOM 0 HB3 ALA A 28 13.016 0.534 -3.868 1.00100.00 H new ATOM 390 N LEU A 29 13.727 4.052 -2.989 1.00100.00 N ATOM 391 CA LEU A 29 13.488 5.294 -3.663 1.00100.00 C ATOM 392 C LEU A 29 14.011 5.352 -5.068 1.00100.00 C ATOM 393 O LEU A 29 14.018 6.432 -5.668 1.00100.00 O ATOM 394 CB LEU A 29 14.075 6.484 -2.882 1.00100.00 C ATOM 395 CG LEU A 29 13.029 7.112 -1.958 1.00100.00 C ATOM 396 CD1 LEU A 29 12.621 6.160 -0.836 1.00100.00 C ATOM 397 CD2 LEU A 29 13.586 8.404 -1.362 1.00100.00 C ATOM 0 H LEU A 29 14.642 4.001 -2.541 1.00100.00 H new ATOM 0 HA LEU A 29 12.401 5.361 -3.713 1.00100.00 H new ATOM 0 HB2 LEU A 29 14.930 6.150 -2.294 1.00100.00 H new ATOM 0 HB3 LEU A 29 14.443 7.235 -3.581 1.00100.00 H new ATOM 0 HG LEU A 29 12.140 7.326 -2.551 1.00100.00 H new ATOM 0 HD11 LEU A 29 11.877 6.643 -0.202 1.00100.00 H new ATOM 0 HD12 LEU A 29 12.198 5.252 -1.265 1.00100.00 H new ATOM 0 HD13 LEU A 29 13.496 5.905 -0.239 1.00100.00 H new ATOM 0 HD21 LEU A 29 12.841 8.852 -0.704 1.00100.00 H new ATOM 0 HD22 LEU A 29 14.488 8.182 -0.792 1.00100.00 H new ATOM 0 HD23 LEU A 29 13.826 9.101 -2.165 1.00100.00 H new ATOM 409 N GLN A 30 14.390 4.195 -5.647 1.00100.00 N ATOM 410 CA GLN A 30 14.951 4.094 -6.970 1.00100.00 C ATOM 411 C GLN A 30 13.989 4.606 -8.006 1.00100.00 C ATOM 412 O GLN A 30 14.383 5.339 -8.911 1.00100.00 O ATOM 413 CB GLN A 30 15.310 2.633 -7.285 1.00100.00 C ATOM 414 CG GLN A 30 16.343 2.112 -6.284 1.00100.00 C ATOM 415 CD GLN A 30 16.691 0.651 -6.544 1.00100.00 C ATOM 416 OE1 GLN A 30 16.090 0.001 -7.398 1.00100.00 O ATOM 417 NE2 GLN A 30 17.670 0.133 -5.799 1.00100.00 N ATOM 0 H GLN A 30 14.304 3.293 -5.179 1.00100.00 H new ATOM 0 HA GLN A 30 15.853 4.706 -6.998 1.00100.00 H new ATOM 0 HB2 GLN A 30 14.413 2.015 -7.247 1.00100.00 H new ATOM 0 HB3 GLN A 30 15.706 2.559 -8.298 1.00100.00 H new ATOM 0 HG2 GLN A 30 17.247 2.718 -6.345 1.00100.00 H new ATOM 0 HG3 GLN A 30 15.955 2.219 -5.271 1.00100.00 H new ATOM 0 HE21 GLN A 30 18.141 0.710 -5.102 1.00100.00 H new ATOM 0 HE22 GLN A 30 17.947 -0.840 -5.927 1.00100.00 H new ATOM 426 N TYR A 31 12.697 4.248 -7.852 1.00100.00 N ATOM 427 CA TYR A 31 11.619 4.627 -8.722 1.00100.00 C ATOM 428 C TYR A 31 11.422 6.125 -8.727 1.00100.00 C ATOM 429 O TYR A 31 11.247 6.706 -9.796 1.00100.00 O ATOM 430 CB TYR A 31 10.331 3.902 -8.252 1.00100.00 C ATOM 431 CG TYR A 31 9.122 4.169 -9.116 1.00100.00 C ATOM 432 CD1 TYR A 31 9.076 3.665 -10.422 1.00100.00 C ATOM 433 CD2 TYR A 31 8.040 4.898 -8.603 1.00100.00 C ATOM 434 CE1 TYR A 31 7.947 3.885 -11.221 1.00100.00 C ATOM 435 CE2 TYR A 31 6.903 5.117 -9.393 1.00100.00 C ATOM 436 CZ TYR A 31 6.854 4.612 -10.708 1.00100.00 C ATOM 437 OH TYR A 31 5.749 4.820 -11.480 1.00100.00 O ATOM 0 H TYR A 31 12.388 3.661 -7.077 1.00100.00 H new ATOM 0 HA TYR A 31 11.856 4.333 -9.744 1.00100.00 H new ATOM 0 HB2 TYR A 31 10.519 2.828 -8.231 1.00100.00 H new ATOM 0 HB3 TYR A 31 10.108 4.207 -7.230 1.00100.00 H new ATOM 0 HD1 TYR A 31 9.913 3.106 -10.814 1.00100.00 H new ATOM 0 HD2 TYR A 31 8.083 5.291 -7.598 1.00100.00 H new ATOM 0 HE1 TYR A 31 7.914 3.498 -12.229 1.00100.00 H new ATOM 0 HE2 TYR A 31 6.066 5.672 -8.995 1.00100.00 H new ATOM 0 HH TYR A 31 5.089 5.338 -10.974 1.00100.00 H new ATOM 447 N ARG A 32 11.456 6.768 -7.533 1.00100.00 N ATOM 448 CA ARG A 32 11.274 8.193 -7.379 1.00100.00 C ATOM 449 C ARG A 32 12.361 8.982 -8.041 1.00100.00 C ATOM 450 O ARG A 32 12.079 9.975 -8.708 1.00100.00 O ATOM 451 CB ARG A 32 11.251 8.665 -5.915 1.00100.00 C ATOM 452 CG ARG A 32 10.038 8.094 -5.182 1.00100.00 C ATOM 453 CD ARG A 32 9.921 8.758 -3.811 1.00100.00 C ATOM 454 NE ARG A 32 8.879 8.119 -3.006 1.00100.00 N ATOM 455 CZ ARG A 32 8.723 8.323 -1.690 1.00100.00 C ATOM 456 NH1 ARG A 32 9.530 9.168 -1.033 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 7.758 7.675 -1.026 1.00100.00 N ATOM 0 H ARG A 32 11.615 6.283 -6.650 1.00100.00 H new ATOM 0 HA ARG A 32 10.305 8.370 -7.846 1.00100.00 H new ATOM 0 HB2 ARG A 32 12.166 8.352 -5.412 1.00100.00 H new ATOM 0 HB3 ARG A 32 11.224 9.754 -5.879 1.00100.00 H new ATOM 0 HG2 ARG A 32 9.132 8.269 -5.762 1.00100.00 H new ATOM 0 HG3 ARG A 32 10.141 7.015 -5.069 1.00100.00 H new ATOM 0 HD2 ARG A 32 10.877 8.696 -3.290 1.00100.00 H new ATOM 0 HD3 ARG A 32 9.693 9.817 -3.934 1.00100.00 H new ATOM 0 HE ARG A 32 8.234 7.482 -3.473 1.00100.00 H new ATOM 0 HH11 ARG A 32 10.269 9.661 -1.534 1.00100.00 H new ATOM 0 HH12 ARG A 32 9.405 9.318 -0.032 1.00100.00 H new ATOM 0 HH21 ARG A 32 7.144 7.028 -1.521 1.00100.00 H new ATOM 0 HH22 ARG A 32 7.637 7.828 -0.025 1.00100.00 H new ATOM 471 N ASN A 33 13.625 8.527 -7.874 1.00100.00 N ATOM 472 CA ASN A 33 14.780 9.183 -8.431 1.00100.00 C ATOM 473 C ASN A 33 14.867 9.054 -9.918 1.00100.00 C ATOM 474 O ASN A 33 14.384 8.089 -10.515 1.00100.00 O ATOM 475 CB ASN A 33 16.101 8.738 -7.770 1.00100.00 C ATOM 476 CG ASN A 33 16.136 9.207 -6.320 1.00100.00 C ATOM 477 OD1 ASN A 33 16.116 10.408 -6.058 1.00100.00 O ATOM 478 ND2 ASN A 33 16.181 8.265 -5.375 1.00100.00 N ATOM 0 H ASN A 33 13.849 7.686 -7.341 1.00100.00 H new ATOM 0 HA ASN A 33 14.637 10.239 -8.203 1.00100.00 H new ATOM 0 HB2 ASN A 33 16.192 7.653 -7.813 1.00100.00 H new ATOM 0 HB3 ASN A 33 16.949 9.151 -8.316 1.00100.00 H new ATOM 0 HD21 ASN A 33 16.200 8.531 -4.390 1.00100.00 H new ATOM 0 HD22 ASN A 33 16.196 7.279 -5.638 1.00100.00 H new ATOM 485 N GLY A 34 15.508 10.065 -10.545 1.00100.00 N ATOM 486 CA GLY A 34 15.665 10.117 -11.974 1.00100.00 C ATOM 487 C GLY A 34 14.555 10.889 -12.628 1.00100.00 C ATOM 488 O GLY A 34 14.468 10.903 -13.857 1.00100.00 O ATOM 0 H GLY A 34 15.923 10.857 -10.054 1.00100.00 H new ATOM 0 HA2 GLY A 34 16.622 10.578 -12.218 1.00100.00 H new ATOM 0 HA3 GLY A 34 15.688 9.104 -12.374 1.00100.00 H new ATOM 492 N PHE A 35 13.679 11.535 -11.821 1.00100.00 N ATOM 493 CA PHE A 35 12.589 12.330 -12.311 1.00100.00 C ATOM 494 C PHE A 35 12.927 13.775 -12.175 1.00100.00 C ATOM 495 O PHE A 35 13.641 14.184 -11.256 1.00100.00 O ATOM 496 CB PHE A 35 11.212 11.986 -11.719 1.00100.00 C ATOM 497 CG PHE A 35 10.709 10.703 -12.335 1.00100.00 C ATOM 498 CD1 PHE A 35 11.162 9.463 -11.860 1.00100.00 C ATOM 499 CD2 PHE A 35 9.855 10.757 -13.445 1.00100.00 C ATOM 500 CE1 PHE A 35 10.741 8.279 -12.483 1.00100.00 C ATOM 501 CE2 PHE A 35 9.429 9.574 -14.064 1.00100.00 C ATOM 502 CZ PHE A 35 9.871 8.335 -13.581 1.00100.00 C ATOM 0 H PHE A 35 13.733 11.501 -10.803 1.00100.00 H new ATOM 0 HA PHE A 35 12.472 12.082 -13.366 1.00100.00 H new ATOM 0 HB2 PHE A 35 11.285 11.879 -10.637 1.00100.00 H new ATOM 0 HB3 PHE A 35 10.508 12.796 -11.912 1.00100.00 H new ATOM 0 HD1 PHE A 35 11.834 9.420 -11.016 1.00100.00 H new ATOM 0 HD2 PHE A 35 9.524 11.713 -13.824 1.00100.00 H new ATOM 0 HE1 PHE A 35 11.087 7.324 -12.117 1.00100.00 H new ATOM 0 HE2 PHE A 35 8.761 9.617 -14.912 1.00100.00 H new ATOM 0 HZ PHE A 35 9.541 7.422 -14.055 1.00100.00 H new ATOM 512 N TYR A 36 12.387 14.569 -13.124 1.00100.00 N ATOM 513 CA TYR A 36 12.642 15.974 -13.244 1.00100.00 C ATOM 514 C TYR A 36 12.276 16.785 -12.043 1.00100.00 C ATOM 515 O TYR A 36 13.133 17.550 -11.590 1.00100.00 O ATOM 516 CB TYR A 36 11.911 16.509 -14.511 1.00100.00 C ATOM 517 CG TYR A 36 12.002 18.008 -14.671 1.00100.00 C ATOM 518 CD1 TYR A 36 13.172 18.590 -15.178 1.00100.00 C ATOM 519 CD2 TYR A 36 10.916 18.817 -14.305 1.00100.00 C ATOM 520 CE1 TYR A 36 13.258 19.981 -15.325 1.00100.00 C ATOM 521 CE2 TYR A 36 10.994 20.207 -14.448 1.00100.00 C ATOM 522 CZ TYR A 36 12.167 20.796 -14.961 1.00100.00 C ATOM 523 OH TYR A 36 12.247 22.151 -15.101 1.00100.00 O ATOM 0 H TYR A 36 11.747 14.216 -13.836 1.00100.00 H new ATOM 0 HA TYR A 36 13.722 16.088 -13.333 1.00100.00 H new ATOM 0 HB2 TYR A 36 12.335 16.031 -15.394 1.00100.00 H new ATOM 0 HB3 TYR A 36 10.861 16.220 -14.464 1.00100.00 H new ATOM 0 HD1 TYR A 36 14.008 17.966 -15.456 1.00100.00 H new ATOM 0 HD2 TYR A 36 10.017 18.366 -13.912 1.00100.00 H new ATOM 0 HE1 TYR A 36 14.160 20.428 -15.717 1.00100.00 H new ATOM 0 HE2 TYR A 36 10.156 20.827 -14.166 1.00100.00 H new ATOM 0 HH TYR A 36 11.407 22.561 -14.805 1.00100.00 H new ATOM 533 N LEU A 37 11.051 16.632 -11.482 1.00100.00 N ATOM 534 CA LEU A 37 10.766 17.438 -10.335 1.00100.00 C ATOM 535 C LEU A 37 10.036 16.632 -9.318 1.00100.00 C ATOM 536 O LEU A 37 8.991 16.039 -9.588 1.00100.00 O ATOM 537 CB LEU A 37 10.038 18.745 -10.709 1.00100.00 C ATOM 538 CG LEU A 37 9.702 19.627 -9.511 1.00100.00 C ATOM 539 CD1 LEU A 37 10.955 20.037 -8.736 1.00100.00 C ATOM 540 CD2 LEU A 37 9.014 20.877 -10.055 1.00100.00 C ATOM 0 H LEU A 37 10.314 16.001 -11.796 1.00100.00 H new ATOM 0 HA LEU A 37 11.708 17.756 -9.889 1.00100.00 H new ATOM 0 HB2 LEU A 37 10.660 19.311 -11.402 1.00100.00 H new ATOM 0 HB3 LEU A 37 9.117 18.499 -11.237 1.00100.00 H new ATOM 0 HG LEU A 37 9.063 19.075 -8.822 1.00100.00 H new ATOM 0 HD11 LEU A 37 10.671 20.664 -7.891 1.00100.00 H new ATOM 0 HD12 LEU A 37 11.465 19.146 -8.371 1.00100.00 H new ATOM 0 HD13 LEU A 37 11.623 20.594 -9.393 1.00100.00 H new ATOM 0 HD21 LEU A 37 8.755 21.539 -9.228 1.00100.00 H new ATOM 0 HD22 LEU A 37 9.688 21.395 -10.737 1.00100.00 H new ATOM 0 HD23 LEU A 37 8.107 20.591 -10.588 1.00100.00 H new ATOM 552 N LEU A 38 10.619 16.619 -8.102 1.00100.00 N ATOM 553 CA LEU A 38 10.116 15.928 -6.943 1.00100.00 C ATOM 554 C LEU A 38 8.816 16.511 -6.487 1.00100.00 C ATOM 555 O LEU A 38 7.912 15.781 -6.091 1.00100.00 O ATOM 556 CB LEU A 38 11.106 15.941 -5.768 1.00100.00 C ATOM 557 CG LEU A 38 12.374 15.132 -6.051 1.00100.00 C ATOM 558 CD1 LEU A 38 13.323 15.286 -4.863 1.00100.00 C ATOM 559 CD2 LEU A 38 12.052 13.647 -6.235 1.00100.00 C ATOM 0 H LEU A 38 11.489 17.117 -7.915 1.00100.00 H new ATOM 0 HA LEU A 38 9.969 14.894 -7.255 1.00100.00 H new ATOM 0 HB2 LEU A 38 11.381 16.971 -5.542 1.00100.00 H new ATOM 0 HB3 LEU A 38 10.615 15.540 -4.881 1.00100.00 H new ATOM 0 HG LEU A 38 12.830 15.504 -6.969 1.00100.00 H new ATOM 0 HD11 LEU A 38 14.233 14.715 -5.048 1.00100.00 H new ATOM 0 HD12 LEU A 38 13.575 16.338 -4.733 1.00100.00 H new ATOM 0 HD13 LEU A 38 12.839 14.914 -3.960 1.00100.00 H new ATOM 0 HD21 LEU A 38 12.972 13.097 -6.435 1.00100.00 H new ATOM 0 HD22 LEU A 38 11.588 13.260 -5.328 1.00100.00 H new ATOM 0 HD23 LEU A 38 11.367 13.524 -7.074 1.00100.00 H new ATOM 571 N LYS A 39 8.712 17.855 -6.570 1.00100.00 N ATOM 572 CA LYS A 39 7.584 18.656 -6.180 1.00100.00 C ATOM 573 C LYS A 39 6.345 18.341 -6.975 1.00100.00 C ATOM 574 O LYS A 39 5.252 18.610 -6.477 1.00100.00 O ATOM 575 CB LYS A 39 7.885 20.155 -6.357 1.00100.00 C ATOM 576 CG LYS A 39 9.039 20.616 -5.470 1.00100.00 C ATOM 577 CD LYS A 39 9.242 22.115 -5.685 1.00100.00 C ATOM 578 CE LYS A 39 10.381 22.625 -4.808 1.00100.00 C ATOM 579 NZ LYS A 39 10.597 24.064 -5.019 1.00100.00 N1+ ATOM 0 H LYS A 39 9.475 18.424 -6.938 1.00100.00 H new ATOM 0 HA LYS A 39 7.404 18.418 -5.132 1.00100.00 H new ATOM 0 HB2 LYS A 39 8.128 20.355 -7.401 1.00100.00 H new ATOM 0 HB3 LYS A 39 6.992 20.734 -6.121 1.00100.00 H new ATOM 0 HG2 LYS A 39 8.819 20.409 -4.423 1.00100.00 H new ATOM 0 HG3 LYS A 39 9.949 20.070 -5.718 1.00100.00 H new ATOM 0 HD2 LYS A 39 9.465 22.312 -6.734 1.00100.00 H new ATOM 0 HD3 LYS A 39 8.323 22.651 -5.448 1.00100.00 H new ATOM 0 HE2 LYS A 39 10.151 22.437 -3.759 1.00100.00 H new ATOM 0 HE3 LYS A 39 11.295 22.078 -5.037 1.00100.00 H new ATOM 0 HZ1 LYS A 39 11.376 24.391 -4.413 1.00100.00 H new ATOM 0 HZ2 LYS A 39 10.838 24.236 -6.016 1.00100.00 H new ATOM 0 HZ3 LYS A 39 9.729 24.584 -4.778 1.00100.00 H new ATOM 593 N TYR A 40 6.477 17.775 -8.212 1.00100.00 N ATOM 594 CA TYR A 40 5.338 17.441 -9.040 1.00100.00 C ATOM 595 C TYR A 40 4.511 16.411 -8.317 1.00100.00 C ATOM 596 O TYR A 40 5.034 15.392 -7.858 1.00100.00 O ATOM 597 CB TYR A 40 5.733 16.955 -10.463 1.00100.00 C ATOM 598 CG TYR A 40 4.536 16.592 -11.304 1.00100.00 C ATOM 599 CD1 TYR A 40 3.750 17.608 -11.861 1.00100.00 C ATOM 600 CD2 TYR A 40 4.201 15.246 -11.509 1.00100.00 C ATOM 601 CE1 TYR A 40 2.625 17.284 -12.629 1.00100.00 C ATOM 602 CE2 TYR A 40 3.085 14.912 -12.287 1.00100.00 C ATOM 603 CZ TYR A 40 2.293 15.933 -12.852 1.00100.00 C ATOM 604 OH TYR A 40 1.211 15.615 -13.620 1.00100.00 O ATOM 0 H TYR A 40 7.377 17.550 -8.635 1.00100.00 H new ATOM 0 HA TYR A 40 4.755 18.348 -9.202 1.00100.00 H new ATOM 0 HB2 TYR A 40 6.302 17.737 -10.965 1.00100.00 H new ATOM 0 HB3 TYR A 40 6.389 16.089 -10.378 1.00100.00 H new ATOM 0 HD1 TYR A 40 4.012 18.643 -11.698 1.00100.00 H new ATOM 0 HD2 TYR A 40 4.804 14.466 -11.067 1.00100.00 H new ATOM 0 HE1 TYR A 40 2.013 18.068 -13.050 1.00100.00 H new ATOM 0 HE2 TYR A 40 2.832 13.875 -12.454 1.00100.00 H new ATOM 0 HH TYR A 40 1.123 14.640 -13.674 1.00100.00 H new ATOM 614 N ASP A 41 3.184 16.684 -8.242 1.00100.00 N ATOM 615 CA ASP A 41 2.294 15.816 -7.532 1.00100.00 C ATOM 616 C ASP A 41 1.757 14.754 -8.437 1.00100.00 C ATOM 617 O ASP A 41 1.161 15.010 -9.487 1.00100.00 O ATOM 618 CB ASP A 41 1.125 16.559 -6.833 1.00100.00 C ATOM 619 CG ASP A 41 0.259 15.577 -6.055 1.00100.00 C ATOM 620 OD1 ASP A 41 0.815 14.933 -5.139 1.00100.00 O ATOM 621 OD2 ASP A 41 -0.941 15.483 -6.395 1.00100.00 O1- ATOM 0 H ASP A 41 2.739 17.496 -8.669 1.00100.00 H new ATOM 0 HA ASP A 41 2.890 15.361 -6.741 1.00100.00 H new ATOM 0 HB2 ASP A 41 1.520 17.318 -6.158 1.00100.00 H new ATOM 0 HB3 ASP A 41 0.519 17.077 -7.576 1.00100.00 H new ATOM 626 N GLU A 42 2.011 13.514 -8.000 1.00100.00 N ATOM 627 CA GLU A 42 1.600 12.303 -8.638 1.00100.00 C ATOM 628 C GLU A 42 1.376 11.293 -7.544 1.00100.00 C ATOM 629 O GLU A 42 1.260 11.668 -6.373 1.00100.00 O ATOM 630 CB GLU A 42 2.535 11.840 -9.783 1.00100.00 C ATOM 631 CG GLU A 42 3.974 11.597 -9.346 1.00100.00 C ATOM 632 CD GLU A 42 4.811 11.286 -10.580 1.00100.00 C ATOM 633 OE1 GLU A 42 4.560 10.219 -11.180 1.00100.00 O ATOM 634 OE2 GLU A 42 5.669 12.132 -10.915 1.00100.00 O1- ATOM 0 H GLU A 42 2.539 13.343 -7.144 1.00100.00 H new ATOM 0 HA GLU A 42 0.668 12.457 -9.182 1.00100.00 H new ATOM 0 HB2 GLU A 42 2.137 10.922 -10.215 1.00100.00 H new ATOM 0 HB3 GLU A 42 2.527 12.592 -10.572 1.00100.00 H new ATOM 0 HG2 GLU A 42 4.367 12.475 -8.834 1.00100.00 H new ATOM 0 HG3 GLU A 42 4.020 10.769 -8.639 1.00100.00 H new ATOM 641 N GLU A 43 1.264 9.990 -7.898 1.00100.00 N ATOM 642 CA GLU A 43 1.004 8.943 -6.947 1.00100.00 C ATOM 643 C GLU A 43 2.070 8.812 -5.886 1.00100.00 C ATOM 644 O GLU A 43 1.709 8.688 -4.713 1.00100.00 O ATOM 645 CB GLU A 43 0.736 7.599 -7.651 1.00100.00 C ATOM 646 CG GLU A 43 0.351 6.516 -6.644 1.00100.00 C ATOM 647 CD GLU A 43 -0.120 5.253 -7.357 1.00100.00 C ATOM 648 OE1 GLU A 43 0.574 4.842 -8.313 1.00100.00 O ATOM 649 OE2 GLU A 43 -1.169 4.720 -6.932 1.00100.00 O1- ATOM 0 H GLU A 43 1.356 9.661 -8.859 1.00100.00 H new ATOM 0 HA GLU A 43 0.097 9.237 -6.419 1.00100.00 H new ATOM 0 HB2 GLU A 43 -0.064 7.721 -8.382 1.00100.00 H new ATOM 0 HB3 GLU A 43 1.625 7.289 -8.200 1.00100.00 H new ATOM 0 HG2 GLU A 43 1.206 6.283 -6.010 1.00100.00 H new ATOM 0 HG3 GLU A 43 -0.439 6.886 -5.990 1.00100.00 H new ATOM 656 N TRP A 44 3.382 8.893 -6.244 1.00100.00 N ATOM 657 CA TRP A 44 4.415 8.780 -5.232 1.00100.00 C ATOM 658 C TRP A 44 4.446 9.990 -4.337 1.00100.00 C ATOM 659 O TRP A 44 4.004 11.075 -4.721 1.00100.00 O ATOM 660 CB TRP A 44 5.882 8.512 -5.679 1.00100.00 C ATOM 661 CG TRP A 44 6.616 9.559 -6.444 1.00100.00 C ATOM 662 CD1 TRP A 44 7.158 10.688 -5.940 1.00100.00 C ATOM 663 CD2 TRP A 44 7.006 9.521 -7.841 1.00100.00 C ATOM 664 NE1 TRP A 44 7.857 11.347 -6.929 1.00100.00 N ATOM 665 CE2 TRP A 44 7.808 10.657 -8.124 1.00100.00 C ATOM 666 CE3 TRP A 44 6.763 8.621 -8.893 1.00100.00 C ATOM 667 CZ2 TRP A 44 8.348 10.891 -9.392 1.00100.00 C ATOM 668 CZ3 TRP A 44 7.289 8.849 -10.170 1.00100.00 C ATOM 669 CH2 TRP A 44 8.074 9.981 -10.421 1.00100.00 C ATOM 0 H TRP A 44 3.719 9.031 -7.197 1.00100.00 H new ATOM 0 HA TRP A 44 4.093 7.868 -4.730 1.00100.00 H new ATOM 0 HB2 TRP A 44 6.463 8.294 -4.783 1.00100.00 H new ATOM 0 HB3 TRP A 44 5.879 7.606 -6.285 1.00100.00 H new ATOM 0 HD1 TRP A 44 7.059 11.024 -4.918 1.00100.00 H new ATOM 0 HE1 TRP A 44 8.348 12.231 -6.795 1.00100.00 H new ATOM 0 HE3 TRP A 44 6.162 7.742 -8.714 1.00100.00 H new ATOM 0 HZ2 TRP A 44 8.965 11.758 -9.575 1.00100.00 H new ATOM 0 HZ3 TRP A 44 7.088 8.148 -10.966 1.00100.00 H new ATOM 0 HH2 TRP A 44 8.469 10.153 -11.411 1.00100.00 H new ATOM 680 N TYR A 45 4.994 9.804 -3.112 1.00100.00 N ATOM 681 CA TYR A 45 5.087 10.857 -2.131 1.00100.00 C ATOM 682 C TYR A 45 6.228 11.772 -2.531 1.00100.00 C ATOM 683 O TYR A 45 7.360 11.301 -2.683 1.00100.00 O ATOM 684 CB TYR A 45 5.432 10.347 -0.708 1.00100.00 C ATOM 685 CG TYR A 45 4.376 9.428 -0.138 1.00100.00 C ATOM 686 CD1 TYR A 45 4.421 8.053 -0.407 1.00100.00 C ATOM 687 CD2 TYR A 45 3.348 9.958 0.653 1.00100.00 C ATOM 688 CE1 TYR A 45 3.443 7.201 0.122 1.00100.00 C ATOM 689 CE2 TYR A 45 2.362 9.114 1.183 1.00100.00 C ATOM 690 CZ TYR A 45 2.407 7.729 0.920 1.00100.00 C ATOM 691 OH TYR A 45 1.449 6.905 1.432 1.00100.00 O ATOM 0 H TYR A 45 5.377 8.912 -2.798 1.00100.00 H new ATOM 0 HA TYR A 45 4.113 11.345 -2.103 1.00100.00 H new ATOM 0 HB2 TYR A 45 6.386 9.821 -0.738 1.00100.00 H new ATOM 0 HB3 TYR A 45 5.560 11.201 -0.043 1.00100.00 H new ATOM 0 HD1 TYR A 45 5.211 7.650 -1.023 1.00100.00 H new ATOM 0 HD2 TYR A 45 3.315 11.018 0.855 1.00100.00 H new ATOM 0 HE1 TYR A 45 3.482 6.141 -0.081 1.00100.00 H new ATOM 0 HE2 TYR A 45 1.569 9.524 1.792 1.00100.00 H new ATOM 0 HH TYR A 45 0.812 7.432 1.959 1.00100.00 H new ATOM 701 N PRO A 46 5.954 13.102 -2.716 1.00100.00 N ATOM 702 CA PRO A 46 6.940 14.097 -3.091 1.00100.00 C ATOM 703 C PRO A 46 8.066 14.233 -2.109 1.00100.00 C ATOM 704 O PRO A 46 9.188 14.506 -2.541 1.00100.00 O ATOM 705 CB PRO A 46 6.164 15.402 -3.298 1.00100.00 C ATOM 706 CG PRO A 46 4.938 15.215 -2.409 1.00100.00 C ATOM 707 CD PRO A 46 4.660 13.717 -2.503 1.00100.00 C ATOM 0 HA PRO A 46 7.452 13.796 -4.005 1.00100.00 H new ATOM 0 HB2 PRO A 46 6.750 16.272 -3.000 1.00100.00 H new ATOM 0 HB3 PRO A 46 5.887 15.546 -4.342 1.00100.00 H new ATOM 0 HG2 PRO A 46 5.135 15.524 -1.382 1.00100.00 H new ATOM 0 HG3 PRO A 46 4.092 15.804 -2.762 1.00100.00 H new ATOM 0 HD2 PRO A 46 4.193 13.345 -1.591 1.00100.00 H new ATOM 0 HD3 PRO A 46 3.978 13.494 -3.324 1.00100.00 H new ATOM 715 N GLU A 47 7.777 14.065 -0.796 1.00100.00 N ATOM 716 CA GLU A 47 8.777 14.156 0.231 1.00100.00 C ATOM 717 C GLU A 47 9.515 12.854 0.201 1.00100.00 C ATOM 718 O GLU A 47 8.909 11.779 0.268 1.00100.00 O ATOM 719 CB GLU A 47 8.188 14.353 1.646 1.00100.00 C ATOM 720 CG GLU A 47 9.323 14.503 2.661 1.00100.00 C ATOM 721 CD GLU A 47 8.804 14.731 4.077 1.00100.00 C ATOM 722 OE1 GLU A 47 7.570 14.649 4.262 1.00100.00 O ATOM 723 OE2 GLU A 47 9.659 14.981 4.955 1.00100.00 O1- ATOM 0 H GLU A 47 6.840 13.864 -0.447 1.00100.00 H new ATOM 0 HA GLU A 47 9.407 15.024 0.036 1.00100.00 H new ATOM 0 HB2 GLU A 47 7.551 15.237 1.665 1.00100.00 H new ATOM 0 HB3 GLU A 47 7.560 13.502 1.911 1.00100.00 H new ATOM 0 HG2 GLU A 47 9.944 13.608 2.644 1.00100.00 H new ATOM 0 HG3 GLU A 47 9.960 15.339 2.370 1.00100.00 H new ATOM 730 N GLU A 48 10.858 12.951 0.097 1.00100.00 N ATOM 731 CA GLU A 48 11.698 11.791 0.039 1.00100.00 C ATOM 732 C GLU A 48 12.266 11.493 1.391 1.00100.00 C ATOM 733 O GLU A 48 12.791 12.369 2.081 1.00100.00 O ATOM 734 CB GLU A 48 12.860 11.895 -0.956 1.00100.00 C ATOM 735 CG GLU A 48 12.398 11.841 -2.409 1.00100.00 C ATOM 736 CD GLU A 48 13.607 11.865 -3.337 1.00100.00 C ATOM 737 OE1 GLU A 48 14.435 12.786 -3.168 1.00100.00 O ATOM 738 OE2 GLU A 48 13.689 10.952 -4.188 1.00100.00 O1- ATOM 0 H GLU A 48 11.362 13.837 0.053 1.00100.00 H new ATOM 0 HA GLU A 48 11.046 10.990 -0.310 1.00100.00 H new ATOM 0 HB2 GLU A 48 13.397 12.828 -0.784 1.00100.00 H new ATOM 0 HB3 GLU A 48 13.564 11.083 -0.772 1.00100.00 H new ATOM 0 HG2 GLU A 48 11.814 10.937 -2.581 1.00100.00 H new ATOM 0 HG3 GLU A 48 11.746 12.687 -2.624 1.00100.00 H new ATOM 745 N LEU A 49 12.122 10.209 1.790 1.00100.00 N ATOM 746 CA LEU A 49 12.569 9.689 3.055 1.00100.00 C ATOM 747 C LEU A 49 14.058 9.776 3.232 1.00100.00 C ATOM 748 O LEU A 49 14.531 10.220 4.279 1.00100.00 O ATOM 749 CB LEU A 49 12.171 8.209 3.215 1.00100.00 C ATOM 750 CG LEU A 49 10.666 8.005 3.015 1.00100.00 C ATOM 751 CD1 LEU A 49 10.343 6.518 3.148 1.00100.00 C ATOM 752 CD2 LEU A 49 9.860 8.790 4.049 1.00100.00 C ATOM 0 H LEU A 49 11.675 9.503 1.206 1.00100.00 H new ATOM 0 HA LEU A 49 12.085 10.310 3.809 1.00100.00 H new ATOM 0 HB2 LEU A 49 12.720 7.604 2.493 1.00100.00 H new ATOM 0 HB3 LEU A 49 12.457 7.860 4.207 1.00100.00 H new ATOM 0 HG LEU A 49 10.396 8.367 2.023 1.00100.00 H new ATOM 0 HD11 LEU A 49 9.273 6.364 3.007 1.00100.00 H new ATOM 0 HD12 LEU A 49 10.893 5.957 2.392 1.00100.00 H new ATOM 0 HD13 LEU A 49 10.632 6.170 4.140 1.00100.00 H new ATOM 0 HD21 LEU A 49 8.796 8.626 3.882 1.00100.00 H new ATOM 0 HD22 LEU A 49 10.126 8.452 5.051 1.00100.00 H new ATOM 0 HD23 LEU A 49 10.082 9.853 3.953 1.00100.00 H new ATOM 764 N LEU A 50 14.820 9.366 2.190 1.00100.00 N ATOM 765 CA LEU A 50 16.260 9.371 2.213 1.00100.00 C ATOM 766 C LEU A 50 16.859 10.740 2.301 1.00100.00 C ATOM 767 O LEU A 50 17.793 10.956 3.076 1.00100.00 O ATOM 768 CB LEU A 50 16.878 8.650 1.001 1.00100.00 C ATOM 769 CG LEU A 50 16.457 7.179 0.942 1.00100.00 C ATOM 770 CD1 LEU A 50 17.030 6.556 -0.330 1.00100.00 C ATOM 771 CD2 LEU A 50 16.976 6.403 2.152 1.00100.00 C ATOM 0 H LEU A 50 14.427 9.024 1.313 1.00100.00 H new ATOM 0 HA LEU A 50 16.503 8.828 3.126 1.00100.00 H new ATOM 0 HB2 LEU A 50 16.572 9.153 0.084 1.00100.00 H new ATOM 0 HB3 LEU A 50 17.965 8.716 1.054 1.00100.00 H new ATOM 0 HG LEU A 50 15.368 7.129 0.944 1.00100.00 H new ATOM 0 HD11 LEU A 50 16.738 5.507 -0.385 1.00100.00 H new ATOM 0 HD12 LEU A 50 16.644 7.086 -1.201 1.00100.00 H new ATOM 0 HD13 LEU A 50 18.117 6.629 -0.313 1.00100.00 H new ATOM 0 HD21 LEU A 50 16.660 5.362 2.080 1.00100.00 H new ATOM 0 HD22 LEU A 50 18.065 6.451 2.175 1.00100.00 H new ATOM 0 HD23 LEU A 50 16.574 6.842 3.065 1.00100.00 H new ATOM 783 N THR A 51 16.315 11.702 1.525 1.00100.00 N ATOM 784 CA THR A 51 16.825 13.045 1.514 1.00100.00 C ATOM 785 C THR A 51 16.165 13.847 2.605 1.00100.00 C ATOM 786 O THR A 51 15.232 14.619 2.358 1.00100.00 O ATOM 787 CB THR A 51 16.688 13.701 0.153 1.00100.00 C ATOM 788 OG1 THR A 51 15.352 13.665 -0.275 1.00100.00 O ATOM 789 CG2 THR A 51 17.557 12.976 -0.873 1.00100.00 C ATOM 0 H THR A 51 15.520 11.549 0.904 1.00100.00 H new ATOM 0 HA THR A 51 17.896 13.009 1.714 1.00100.00 H new ATOM 0 HB THR A 51 17.013 14.738 0.241 1.00100.00 H new ATOM 0 HG1 THR A 51 14.768 13.974 0.449 1.00100.00 H new ATOM 0 HG21 THR A 51 17.450 13.457 -1.845 1.00100.00 H new ATOM 0 HG22 THR A 51 18.600 13.018 -0.561 1.00100.00 H new ATOM 0 HG23 THR A 51 17.242 11.935 -0.946 1.00100.00 H new ATOM 797 N ASP A 52 16.661 13.688 3.858 1.00100.00 N ATOM 798 CA ASP A 52 16.054 14.409 4.941 1.00100.00 C ATOM 799 C ASP A 52 16.818 15.687 5.096 1.00100.00 C ATOM 800 O ASP A 52 17.985 15.718 5.495 1.00100.00 O ATOM 801 CB ASP A 52 15.991 13.627 6.283 1.00100.00 C ATOM 802 CG ASP A 52 15.366 14.466 7.391 1.00100.00 C ATOM 803 OD1 ASP A 52 14.467 15.271 7.064 1.00100.00 O ATOM 804 OD2 ASP A 52 15.799 14.284 8.550 1.00100.00 O1- ATOM 0 H ASP A 52 17.446 13.088 4.111 1.00100.00 H new ATOM 0 HA ASP A 52 15.008 14.587 4.692 1.00100.00 H new ATOM 0 HB2 ASP A 52 15.412 12.714 6.146 1.00100.00 H new ATOM 0 HB3 ASP A 52 16.996 13.326 6.577 1.00100.00 H new ATOM 809 N GLY A 53 16.121 16.773 4.715 1.00100.00 N ATOM 810 CA GLY A 53 16.588 18.126 4.770 1.00100.00 C ATOM 811 C GLY A 53 17.290 18.557 3.517 1.00100.00 C ATOM 812 O GLY A 53 17.497 19.757 3.336 1.00100.00 O ATOM 0 H GLY A 53 15.173 16.702 4.346 1.00100.00 H new ATOM 0 HA2 GLY A 53 15.742 18.789 4.952 1.00100.00 H new ATOM 0 HA3 GLY A 53 17.267 18.236 5.616 1.00100.00 H new ATOM 816 N GLU A 54 17.677 17.608 2.627 1.00100.00 N ATOM 817 CA GLU A 54 18.344 17.941 1.393 1.00100.00 C ATOM 818 C GLU A 54 17.416 18.616 0.424 1.00100.00 C ATOM 819 O GLU A 54 17.798 19.603 -0.207 1.00100.00 O ATOM 820 CB GLU A 54 19.032 16.736 0.732 1.00100.00 C ATOM 821 CG GLU A 54 20.051 16.114 1.687 1.00100.00 C ATOM 822 CD GLU A 54 20.727 14.890 1.080 1.00100.00 C ATOM 823 OE1 GLU A 54 20.478 14.626 -0.117 1.00100.00 O ATOM 824 OE2 GLU A 54 21.481 14.233 1.830 1.00100.00 O1- ATOM 0 H GLU A 54 17.527 16.609 2.764 1.00100.00 H new ATOM 0 HA GLU A 54 19.131 18.644 1.666 1.00100.00 H new ATOM 0 HB2 GLU A 54 18.286 15.992 0.451 1.00100.00 H new ATOM 0 HB3 GLU A 54 19.529 17.051 -0.185 1.00100.00 H new ATOM 0 HG2 GLU A 54 20.807 16.856 1.944 1.00100.00 H new ATOM 0 HG3 GLU A 54 19.553 15.831 2.615 1.00100.00 H new ATOM 831 N ASP A 55 16.168 18.095 0.301 1.00100.00 N ATOM 832 CA ASP A 55 15.155 18.641 -0.572 1.00100.00 C ATOM 833 C ASP A 55 14.770 20.017 -0.108 1.00100.00 C ATOM 834 O ASP A 55 14.649 20.933 -0.919 1.00100.00 O ATOM 835 CB ASP A 55 13.860 17.803 -0.597 1.00100.00 C ATOM 836 CG ASP A 55 14.055 16.439 -1.257 1.00100.00 C ATOM 837 OD1 ASP A 55 15.108 16.253 -1.907 1.00100.00 O ATOM 838 OD2 ASP A 55 13.134 15.607 -1.111 1.00100.00 O1- ATOM 0 H ASP A 55 15.856 17.275 0.821 1.00100.00 H new ATOM 0 HA ASP A 55 15.594 18.647 -1.570 1.00100.00 H new ATOM 0 HB2 ASP A 55 13.504 17.661 0.423 1.00100.00 H new ATOM 0 HB3 ASP A 55 13.086 18.354 -1.131 1.00100.00 H new ATOM 843 N ASP A 56 14.590 20.155 1.234 1.00100.00 N ATOM 844 CA ASP A 56 14.225 21.346 1.960 1.00100.00 C ATOM 845 C ASP A 56 12.988 22.001 1.379 1.00100.00 C ATOM 846 O ASP A 56 12.932 23.216 1.174 1.00100.00 O ATOM 847 CB ASP A 56 15.421 22.324 2.138 1.00100.00 C ATOM 848 CG ASP A 56 15.057 23.488 3.051 1.00100.00 C ATOM 849 OD1 ASP A 56 14.635 23.204 4.192 1.00100.00 O ATOM 850 OD2 ASP A 56 15.202 24.640 2.587 1.00100.00 O1- ATOM 0 H ASP A 56 14.712 19.359 1.861 1.00100.00 H new ATOM 0 HA ASP A 56 13.956 21.039 2.970 1.00100.00 H new ATOM 0 HB2 ASP A 56 16.273 21.787 2.554 1.00100.00 H new ATOM 0 HB3 ASP A 56 15.729 22.706 1.164 1.00100.00 H new ATOM 855 N VAL A 57 11.973 21.167 1.054 1.00100.00 N ATOM 856 CA VAL A 57 10.727 21.648 0.508 1.00100.00 C ATOM 857 C VAL A 57 9.754 21.617 1.657 1.00100.00 C ATOM 858 O VAL A 57 9.056 22.595 1.933 1.00100.00 O ATOM 859 CB VAL A 57 10.172 20.755 -0.602 1.00100.00 C ATOM 860 CG1 VAL A 57 8.842 21.306 -1.116 1.00100.00 C ATOM 861 CG2 VAL A 57 11.173 20.703 -1.756 1.00100.00 C ATOM 0 H VAL A 57 12.014 20.154 1.170 1.00100.00 H new ATOM 0 HA VAL A 57 10.880 22.635 0.071 1.00100.00 H new ATOM 0 HB VAL A 57 10.010 19.755 -0.201 1.00100.00 H new ATOM 0 HG11 VAL A 57 8.461 20.659 -1.906 1.00100.00 H new ATOM 0 HG12 VAL A 57 8.123 21.343 -0.298 1.00100.00 H new ATOM 0 HG13 VAL A 57 8.993 22.310 -1.512 1.00100.00 H new ATOM 0 HG21 VAL A 57 10.781 20.067 -2.550 1.00100.00 H new ATOM 0 HG22 VAL A 57 11.334 21.709 -2.143 1.00100.00 H new ATOM 0 HG23 VAL A 57 12.119 20.296 -1.399 1.00100.00 H new ATOM 871 N PHE A 58 9.728 20.471 2.369 1.00100.00 N ATOM 872 CA PHE A 58 8.849 20.236 3.469 1.00100.00 C ATOM 873 C PHE A 58 9.048 21.079 4.679 1.00100.00 C ATOM 874 O PHE A 58 8.056 21.445 5.312 1.00100.00 O ATOM 875 CB PHE A 58 8.602 18.740 3.723 1.00100.00 C ATOM 876 CG PHE A 58 7.649 18.229 2.669 1.00100.00 C ATOM 877 CD1 PHE A 58 8.127 17.872 1.400 1.00100.00 C ATOM 878 CD2 PHE A 58 6.271 18.247 2.919 1.00100.00 C ATOM 879 CE1 PHE A 58 7.223 17.523 0.386 1.00100.00 C ATOM 880 CE2 PHE A 58 5.367 17.897 1.907 1.00100.00 C ATOM 881 CZ PHE A 58 5.845 17.537 0.640 1.00100.00 C ATOM 0 H PHE A 58 10.343 19.682 2.168 1.00100.00 H new ATOM 0 HA PHE A 58 7.891 20.630 3.131 1.00100.00 H new ATOM 0 HB2 PHE A 58 9.541 18.189 3.684 1.00100.00 H new ATOM 0 HB3 PHE A 58 8.184 18.588 4.718 1.00100.00 H new ATOM 0 HD1 PHE A 58 9.189 17.866 1.204 1.00100.00 H new ATOM 0 HD2 PHE A 58 5.904 18.531 3.894 1.00100.00 H new ATOM 0 HE1 PHE A 58 7.589 17.243 -0.591 1.00100.00 H new ATOM 0 HE2 PHE A 58 4.305 17.905 2.103 1.00100.00 H new ATOM 0 HZ PHE A 58 5.150 17.270 -0.142 1.00100.00 H new ATOM 891 N ASP A 59 10.320 21.400 5.038 1.00100.00 N ATOM 892 CA ASP A 59 10.584 22.233 6.191 1.00100.00 C ATOM 893 C ASP A 59 9.964 23.617 6.030 1.00100.00 C ATOM 894 O ASP A 59 9.268 24.028 6.962 1.00100.00 O ATOM 895 CB ASP A 59 12.092 22.312 6.565 1.00100.00 C ATOM 896 CG ASP A 59 12.657 20.914 6.782 1.00100.00 C ATOM 897 OD1 ASP A 59 12.194 20.260 7.742 1.00100.00 O ATOM 898 OD2 ASP A 59 13.530 20.521 5.980 1.00100.00 O1- ATOM 0 H ASP A 59 11.153 21.088 4.539 1.00100.00 H new ATOM 0 HA ASP A 59 10.099 21.745 7.036 1.00100.00 H new ATOM 0 HB2 ASP A 59 12.644 22.816 5.772 1.00100.00 H new ATOM 0 HB3 ASP A 59 12.219 22.907 7.469 1.00100.00 H new ATOM 903 N PRO A 60 10.123 24.370 4.886 1.00100.00 N ATOM 904 CA PRO A 60 9.475 25.652 4.726 1.00100.00 C ATOM 905 C PRO A 60 8.000 25.527 4.419 1.00100.00 C ATOM 906 O PRO A 60 7.298 26.518 4.612 1.00100.00 O ATOM 907 CB PRO A 60 10.254 26.407 3.650 1.00100.00 C ATOM 908 CG PRO A 60 10.764 25.250 2.786 1.00100.00 C ATOM 909 CD PRO A 60 11.050 24.135 3.798 1.00100.00 C ATOM 0 HA PRO A 60 9.496 26.211 5.662 1.00100.00 H new ATOM 0 HB2 PRO A 60 9.620 27.092 3.087 1.00100.00 H new ATOM 0 HB3 PRO A 60 11.068 26.998 4.069 1.00100.00 H new ATOM 0 HG2 PRO A 60 10.020 24.942 2.051 1.00100.00 H new ATOM 0 HG3 PRO A 60 11.662 25.529 2.234 1.00100.00 H new ATOM 0 HD2 PRO A 60 10.897 23.151 3.355 1.00100.00 H new ATOM 0 HD3 PRO A 60 12.083 24.172 4.144 1.00100.00 H new ATOM 917 N ASP A 61 7.526 24.339 3.947 1.00100.00 N ATOM 918 CA ASP A 61 6.152 24.030 3.597 1.00100.00 C ATOM 919 C ASP A 61 5.560 25.009 2.604 1.00100.00 C ATOM 920 O ASP A 61 4.425 25.476 2.734 1.00100.00 O ATOM 921 CB ASP A 61 5.242 23.795 4.837 1.00100.00 C ATOM 922 CG ASP A 61 3.892 23.218 4.428 1.00100.00 C ATOM 923 OD1 ASP A 61 3.903 22.124 3.823 1.00100.00 O ATOM 924 OD2 ASP A 61 2.876 23.883 4.725 1.00100.00 O1- ATOM 0 H ASP A 61 8.145 23.542 3.801 1.00100.00 H new ATOM 0 HA ASP A 61 6.191 23.072 3.079 1.00100.00 H new ATOM 0 HB2 ASP A 61 5.736 23.115 5.530 1.00100.00 H new ATOM 0 HB3 ASP A 61 5.093 24.736 5.366 1.00100.00 H new ATOM 929 N LEU A 62 6.371 25.344 1.579 1.00100.00 N ATOM 930 CA LEU A 62 5.972 26.243 0.536 1.00100.00 C ATOM 931 C LEU A 62 5.809 25.383 -0.678 1.00100.00 C ATOM 932 O LEU A 62 6.751 24.707 -1.102 1.00100.00 O ATOM 933 CB LEU A 62 7.039 27.328 0.237 1.00100.00 C ATOM 934 CG LEU A 62 6.638 28.195 -0.959 1.00100.00 C ATOM 935 CD1 LEU A 62 5.367 28.990 -0.655 1.00100.00 C ATOM 936 CD2 LEU A 62 7.774 29.164 -1.279 1.00100.00 C ATOM 0 H LEU A 62 7.320 24.984 1.473 1.00100.00 H new ATOM 0 HA LEU A 62 5.066 26.774 0.828 1.00100.00 H new ATOM 0 HB2 LEU A 62 7.174 27.959 1.116 1.00100.00 H new ATOM 0 HB3 LEU A 62 7.998 26.851 0.036 1.00100.00 H new ATOM 0 HG LEU A 62 6.444 27.544 -1.812 1.00100.00 H new ATOM 0 HD11 LEU A 62 5.103 29.598 -1.520 1.00100.00 H new ATOM 0 HD12 LEU A 62 4.552 28.302 -0.433 1.00100.00 H new ATOM 0 HD13 LEU A 62 5.540 29.638 0.205 1.00100.00 H new ATOM 0 HD21 LEU A 62 7.494 29.784 -2.130 1.00100.00 H new ATOM 0 HD22 LEU A 62 7.965 29.799 -0.414 1.00100.00 H new ATOM 0 HD23 LEU A 62 8.675 28.601 -1.521 1.00100.00 H new ATOM 948 N ASP A 63 4.586 25.390 -1.248 1.00100.00 N ATOM 949 CA ASP A 63 4.315 24.616 -2.423 1.00100.00 C ATOM 950 C ASP A 63 3.975 25.648 -3.449 1.00100.00 C ATOM 951 O ASP A 63 3.098 26.490 -3.229 1.00100.00 O ATOM 952 CB ASP A 63 3.128 23.627 -2.259 1.00100.00 C ATOM 953 CG ASP A 63 2.754 22.960 -3.580 1.00100.00 C ATOM 954 OD1 ASP A 63 3.656 22.816 -4.434 1.00100.00 O ATOM 955 OD2 ASP A 63 1.562 22.604 -3.711 1.00100.00 O1- ATOM 0 H ASP A 63 3.792 25.927 -0.898 1.00100.00 H new ATOM 0 HA ASP A 63 5.167 23.985 -2.677 1.00100.00 H new ATOM 0 HB2 ASP A 63 3.391 22.862 -1.528 1.00100.00 H new ATOM 0 HB3 ASP A 63 2.263 24.160 -1.864 1.00100.00 H new ATOM 960 N MET A 64 4.707 25.612 -4.582 1.00100.00 N ATOM 961 CA MET A 64 4.480 26.533 -5.656 1.00100.00 C ATOM 962 C MET A 64 3.983 25.721 -6.807 1.00100.00 C ATOM 963 O MET A 64 4.693 24.877 -7.362 1.00100.00 O ATOM 964 CB MET A 64 5.739 27.306 -6.090 1.00100.00 C ATOM 965 CG MET A 64 6.206 28.215 -4.957 1.00100.00 C ATOM 966 SD MET A 64 7.811 28.996 -5.259 1.00100.00 S ATOM 967 CE MET A 64 8.876 27.554 -5.010 1.00100.00 C ATOM 0 H MET A 64 5.458 24.943 -4.753 1.00100.00 H new ATOM 0 HA MET A 64 3.769 27.289 -5.321 1.00100.00 H new ATOM 0 HB2 MET A 64 6.531 26.607 -6.357 1.00100.00 H new ATOM 0 HB3 MET A 64 5.524 27.899 -6.979 1.00100.00 H new ATOM 0 HG2 MET A 64 5.459 28.992 -4.796 1.00100.00 H new ATOM 0 HG3 MET A 64 6.263 27.633 -4.037 1.00100.00 H new ATOM 0 HE1 MET A 64 9.654 27.540 -5.774 1.00100.00 H new ATOM 0 HE2 MET A 64 9.337 27.608 -4.024 1.00100.00 H new ATOM 0 HE3 MET A 64 8.280 26.644 -5.083 1.00100.00 H new ATOM 977 N GLU A 65 2.742 26.054 -7.220 1.00100.00 N ATOM 978 CA GLU A 65 2.035 25.414 -8.295 1.00100.00 C ATOM 979 C GLU A 65 2.702 25.575 -9.620 1.00100.00 C ATOM 980 O GLU A 65 2.822 24.605 -10.363 1.00100.00 O ATOM 981 CB GLU A 65 0.598 25.935 -8.459 1.00100.00 C ATOM 982 CG GLU A 65 -0.212 25.631 -7.201 1.00100.00 C ATOM 983 CD GLU A 65 -1.660 26.070 -7.369 1.00100.00 C ATOM 984 OE1 GLU A 65 -1.867 27.288 -7.553 1.00100.00 O ATOM 985 OE2 GLU A 65 -2.533 25.177 -7.310 1.00100.00 O1- ATOM 0 H GLU A 65 2.206 26.805 -6.784 1.00100.00 H new ATOM 0 HA GLU A 65 2.030 24.363 -8.005 1.00100.00 H new ATOM 0 HB2 GLU A 65 0.610 27.009 -8.643 1.00100.00 H new ATOM 0 HB3 GLU A 65 0.129 25.468 -9.325 1.00100.00 H new ATOM 0 HG2 GLU A 65 -0.174 24.563 -6.988 1.00100.00 H new ATOM 0 HG3 GLU A 65 0.231 26.142 -6.346 1.00100.00 H new ATOM 992 N VAL A 66 3.187 26.807 -9.903 1.00100.00 N ATOM 993 CA VAL A 66 3.833 27.172 -11.143 1.00100.00 C ATOM 994 C VAL A 66 5.084 26.351 -11.342 1.00100.00 C ATOM 995 O VAL A 66 5.304 25.845 -12.444 1.00100.00 O ATOM 996 CB VAL A 66 4.160 28.665 -11.185 1.00100.00 C ATOM 997 CG1 VAL A 66 4.833 29.021 -12.510 1.00100.00 C ATOM 998 CG2 VAL A 66 2.876 29.482 -11.042 1.00100.00 C ATOM 0 H VAL A 66 3.128 27.582 -9.242 1.00100.00 H new ATOM 0 HA VAL A 66 3.139 26.962 -11.957 1.00100.00 H new ATOM 0 HB VAL A 66 4.837 28.896 -10.362 1.00100.00 H new ATOM 0 HG11 VAL A 66 5.061 30.087 -12.528 1.00100.00 H new ATOM 0 HG12 VAL A 66 5.756 28.451 -12.614 1.00100.00 H new ATOM 0 HG13 VAL A 66 4.163 28.780 -13.335 1.00100.00 H new ATOM 0 HG21 VAL A 66 3.116 30.545 -11.073 1.00100.00 H new ATOM 0 HG22 VAL A 66 2.197 29.239 -11.860 1.00100.00 H new ATOM 0 HG23 VAL A 66 2.398 29.245 -10.091 1.00100.00 H new ATOM 1008 N VAL A 67 5.898 26.182 -10.267 1.00100.00 N ATOM 1009 CA VAL A 67 7.130 25.435 -10.329 1.00100.00 C ATOM 1010 C VAL A 67 6.858 23.995 -10.689 1.00100.00 C ATOM 1011 O VAL A 67 7.502 23.489 -11.612 1.00100.00 O ATOM 1012 CB VAL A 67 7.922 25.546 -9.025 1.00100.00 C ATOM 1013 CG1 VAL A 67 9.195 24.701 -9.089 1.00100.00 C ATOM 1014 CG2 VAL A 67 8.297 27.006 -8.775 1.00100.00 C ATOM 0 H VAL A 67 5.697 26.569 -9.345 1.00100.00 H new ATOM 0 HA VAL A 67 7.748 25.870 -11.115 1.00100.00 H new ATOM 0 HB VAL A 67 7.298 25.178 -8.211 1.00100.00 H new ATOM 0 HG11 VAL A 67 9.742 24.795 -8.151 1.00100.00 H new ATOM 0 HG12 VAL A 67 8.930 23.656 -9.251 1.00100.00 H new ATOM 0 HG13 VAL A 67 9.821 25.048 -9.911 1.00100.00 H new ATOM 0 HG21 VAL A 67 8.861 27.083 -7.846 1.00100.00 H new ATOM 0 HG22 VAL A 67 8.907 27.372 -9.601 1.00100.00 H new ATOM 0 HG23 VAL A 67 7.391 27.607 -8.700 1.00100.00 H new ATOM 1024 N PHE A 68 5.879 23.333 -10.014 1.00100.00 N ATOM 1025 CA PHE A 68 5.591 21.954 -10.321 1.00100.00 C ATOM 1026 C PHE A 68 4.955 21.710 -11.656 1.00100.00 C ATOM 1027 O PHE A 68 5.334 20.763 -12.348 1.00100.00 O ATOM 1028 CB PHE A 68 4.979 21.088 -9.181 1.00100.00 C ATOM 1029 CG PHE A 68 3.501 21.198 -8.900 1.00100.00 C ATOM 1030 CD1 PHE A 68 2.594 20.400 -9.609 1.00100.00 C ATOM 1031 CD2 PHE A 68 3.050 22.003 -7.845 1.00100.00 C ATOM 1032 CE1 PHE A 68 1.233 20.420 -9.277 1.00100.00 C ATOM 1033 CE2 PHE A 68 1.689 22.020 -7.510 1.00100.00 C ATOM 1034 CZ PHE A 68 0.780 21.232 -8.228 1.00100.00 C ATOM 0 H PHE A 68 5.304 23.741 -9.277 1.00100.00 H new ATOM 0 HA PHE A 68 6.605 21.564 -10.410 1.00100.00 H new ATOM 0 HB2 PHE A 68 5.195 20.044 -9.407 1.00100.00 H new ATOM 0 HB3 PHE A 68 5.509 21.331 -8.260 1.00100.00 H new ATOM 0 HD1 PHE A 68 2.944 19.769 -10.412 1.00100.00 H new ATOM 0 HD2 PHE A 68 3.751 22.610 -7.291 1.00100.00 H new ATOM 0 HE1 PHE A 68 0.533 19.810 -9.829 1.00100.00 H new ATOM 0 HE2 PHE A 68 1.341 22.641 -6.698 1.00100.00 H new ATOM 0 HZ PHE A 68 -0.269 21.250 -7.973 1.00100.00 H new ATOM 1044 N GLU A 69 4.023 22.600 -12.065 1.00100.00 N ATOM 1045 CA GLU A 69 3.308 22.463 -13.307 1.00100.00 C ATOM 1046 C GLU A 69 4.116 22.972 -14.470 1.00100.00 C ATOM 1047 O GLU A 69 3.929 24.077 -14.982 1.00100.00 O ATOM 1048 CB GLU A 69 1.930 23.162 -13.277 1.00100.00 C ATOM 1049 CG GLU A 69 1.042 22.587 -12.174 1.00100.00 C ATOM 1050 CD GLU A 69 -0.261 23.368 -12.030 1.00100.00 C ATOM 1051 OE1 GLU A 69 -0.343 24.469 -12.618 1.00100.00 O ATOM 1052 OE2 GLU A 69 -1.153 22.851 -11.323 1.00100.00 O1- ATOM 0 H GLU A 69 3.762 23.426 -11.527 1.00100.00 H new ATOM 0 HA GLU A 69 3.137 21.395 -13.439 1.00100.00 H new ATOM 0 HB2 GLU A 69 2.065 24.232 -13.118 1.00100.00 H new ATOM 0 HB3 GLU A 69 1.438 23.043 -14.242 1.00100.00 H new ATOM 0 HG2 GLU A 69 0.818 21.544 -12.395 1.00100.00 H new ATOM 0 HG3 GLU A 69 1.582 22.603 -11.227 1.00100.00 H new