USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.146 (180deg=-0.337) USER MOD Single : A 3 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.877) USER MOD Single : A 13 SER OG : rot 97:sc= 1.04 USER MOD Single : A 18 TYR OH : rot 68:sc= -0.516 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -3.05 K(o=-3,f=-6.7!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.463 0.201 -6.157 1.00 0.00 N ATOM 2 CA MET A 1 -14.109 -1.096 -6.763 1.00 0.00 C ATOM 3 C MET A 1 -12.837 -1.634 -6.122 1.00 0.00 C ATOM 4 O MET A 1 -12.581 -2.837 -6.134 1.00 0.00 O ATOM 5 CB MET A 1 -13.985 -0.961 -8.276 1.00 0.00 C ATOM 6 CG MET A 1 -14.947 -1.884 -8.981 1.00 0.00 C ATOM 7 SD MET A 1 -14.958 -1.414 -10.748 1.00 0.00 S ATOM 8 CE MET A 1 -16.365 -2.380 -11.318 1.00 0.00 C ATOM 0 H1 MET A 1 -15.444 0.443 -6.403 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.370 0.138 -5.123 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.824 0.938 -6.517 1.00 0.00 H new ATOM 0 HA MET A 1 -14.904 -1.818 -6.574 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.183 0.070 -8.570 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.964 -1.190 -8.583 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.640 -2.923 -8.862 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.946 -1.796 -8.554 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.515 -2.210 -12.384 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.175 -3.439 -11.142 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.259 -2.077 -10.773 1.00 0.00 H new ATOM 20 N VAL A 2 -12.128 -0.744 -5.434 1.00 0.00 N ATOM 21 CA VAL A 2 -10.905 -1.106 -4.735 1.00 0.00 C ATOM 22 C VAL A 2 -9.818 -1.500 -5.731 1.00 0.00 C ATOM 23 O VAL A 2 -8.919 -0.715 -6.025 1.00 0.00 O ATOM 24 CB VAL A 2 -11.191 -2.195 -3.679 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.982 -2.443 -2.790 1.00 0.00 C ATOM 26 CG2 VAL A 2 -12.427 -1.888 -2.842 1.00 0.00 C ATOM 0 H VAL A 2 -12.384 0.239 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.525 -0.241 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.399 -3.111 -4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.220 -3.216 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.141 -2.770 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.717 -1.522 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.582 -2.686 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.286 -0.943 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.298 -1.816 -3.493 1.00 0.00 H new ATOM 36 N ASN A 3 -9.835 -2.771 -6.116 1.00 0.00 N ATOM 37 CA ASN A 3 -8.758 -3.354 -6.902 1.00 0.00 C ATOM 38 C ASN A 3 -7.447 -3.314 -6.122 1.00 0.00 C ATOM 39 O ASN A 3 -6.829 -2.261 -5.984 1.00 0.00 O ATOM 40 CB ASN A 3 -8.676 -2.733 -8.295 1.00 0.00 C ATOM 41 CG ASN A 3 -7.988 -3.627 -9.310 1.00 0.00 C ATOM 42 OD1 ASN A 3 -6.940 -3.264 -9.866 1.00 0.00 O ATOM 43 ND2 ASN A 3 -8.583 -4.791 -9.573 1.00 0.00 N ATOM 0 H ASN A 3 -10.590 -3.420 -5.894 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.976 -4.407 -7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.683 -2.506 -8.644 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.140 -1.786 -8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.177 -5.428 -10.258 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.444 -5.044 -9.089 1.00 0.00 H new ATOM 50 N LYS A 4 -7.106 -4.448 -5.521 1.00 0.00 N ATOM 51 CA LYS A 4 -6.028 -4.507 -4.542 1.00 0.00 C ATOM 52 C LYS A 4 -5.435 -5.914 -4.492 1.00 0.00 C ATOM 53 O LYS A 4 -4.762 -6.274 -3.524 1.00 0.00 O ATOM 54 CB LYS A 4 -6.509 -4.119 -3.143 1.00 0.00 C ATOM 55 CG LYS A 4 -6.557 -2.610 -2.900 1.00 0.00 C ATOM 56 CD LYS A 4 -6.152 -2.221 -1.490 1.00 0.00 C ATOM 57 CE LYS A 4 -7.243 -2.255 -0.502 1.00 0.00 C ATOM 58 NZ LYS A 4 -7.486 -0.913 0.085 1.00 0.00 N ATOM 0 H LYS A 4 -7.563 -5.343 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.268 -3.792 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.504 -4.535 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.851 -4.575 -2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.898 -2.112 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.567 -2.249 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.359 -2.890 -1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.732 -1.215 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.155 -2.616 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.996 -2.961 0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.260 -0.972 0.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.622 -0.580 0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.746 -0.246 -0.669 1.00 0.00 H new ATOM 72 N GLN A 5 -5.439 -6.564 -5.652 1.00 0.00 N ATOM 73 CA GLN A 5 -4.797 -7.858 -5.815 1.00 0.00 C ATOM 74 C GLN A 5 -3.390 -7.690 -6.376 1.00 0.00 C ATOM 75 O GLN A 5 -2.855 -8.584 -7.031 1.00 0.00 O ATOM 76 CB GLN A 5 -5.621 -8.824 -6.673 1.00 0.00 C ATOM 77 CG GLN A 5 -5.885 -8.317 -8.077 1.00 0.00 C ATOM 78 CD GLN A 5 -6.264 -9.415 -9.041 1.00 0.00 C ATOM 79 OE1 GLN A 5 -7.426 -9.599 -9.392 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.242 -10.103 -9.544 1.00 0.00 N ATOM 0 H GLN A 5 -5.885 -6.209 -6.498 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.729 -8.307 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.099 -9.779 -6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.574 -9.013 -6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.685 -7.577 -8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.995 -7.808 -8.447 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.293 -9.915 -9.221 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.408 -10.818 -10.252 1.00 0.00 H new ATOM 89 N LYS A 6 -2.746 -6.592 -5.986 1.00 0.00 N ATOM 90 CA LYS A 6 -1.493 -6.187 -6.611 1.00 0.00 C ATOM 91 C LYS A 6 -0.322 -6.946 -5.990 1.00 0.00 C ATOM 92 O LYS A 6 0.219 -6.535 -4.964 1.00 0.00 O ATOM 93 CB LYS A 6 -1.244 -4.685 -6.472 1.00 0.00 C ATOM 94 CG LYS A 6 -1.466 -3.897 -7.764 1.00 0.00 C ATOM 95 CD LYS A 6 -0.718 -4.476 -8.950 1.00 0.00 C ATOM 96 CE LYS A 6 -0.763 -3.656 -10.171 1.00 0.00 C ATOM 97 NZ LYS A 6 0.091 -4.228 -11.242 1.00 0.00 N ATOM 0 H LYS A 6 -3.070 -5.971 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.573 -6.425 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.901 -4.288 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.220 -4.526 -6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.532 -3.874 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.151 -2.865 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.324 -4.623 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.129 -5.460 -9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.792 -3.584 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.432 -2.643 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.532 -3.457 -11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.832 -4.820 -10.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.492 -4.808 -11.878 1.00 0.00 H new ATOM 111 N VAL A 7 0.205 -7.899 -6.753 1.00 0.00 N ATOM 112 CA VAL A 7 1.487 -8.515 -6.460 1.00 0.00 C ATOM 113 C VAL A 7 2.598 -7.455 -6.453 1.00 0.00 C ATOM 114 O VAL A 7 2.325 -6.273 -6.656 1.00 0.00 O ATOM 115 CB VAL A 7 1.776 -9.662 -7.454 1.00 0.00 C ATOM 116 CG1 VAL A 7 0.778 -10.805 -7.333 1.00 0.00 C ATOM 117 CG2 VAL A 7 1.852 -9.154 -8.885 1.00 0.00 C ATOM 0 H VAL A 7 -0.248 -8.263 -7.591 1.00 0.00 H new ATOM 0 HA VAL A 7 1.454 -8.956 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 7 2.753 -10.063 -7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.027 -11.584 -8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.818 -11.218 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.227 -10.433 -7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.057 -9.988 -9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.903 -8.692 -9.158 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.651 -8.417 -8.968 1.00 0.00 H new ATOM 127 N CYS A 8 3.829 -7.945 -6.579 1.00 0.00 N ATOM 128 CA CYS A 8 4.961 -7.127 -6.974 1.00 0.00 C ATOM 129 C CYS A 8 5.182 -7.260 -8.504 1.00 0.00 C ATOM 130 O CYS A 8 5.924 -8.147 -8.960 1.00 0.00 O ATOM 131 CB CYS A 8 6.225 -7.506 -6.219 1.00 0.00 C ATOM 132 SG CYS A 8 7.582 -6.315 -6.372 1.00 0.00 S ATOM 0 H CYS A 8 4.065 -8.923 -6.409 1.00 0.00 H new ATOM 0 HA CYS A 8 4.737 -6.090 -6.723 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.980 -7.624 -5.163 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.569 -8.476 -6.577 1.00 0.00 H new ATOM 137 N PRO A 9 4.898 -6.128 -9.195 1.00 0.00 N ATOM 138 CA PRO A 9 5.251 -5.955 -10.624 1.00 0.00 C ATOM 139 C PRO A 9 6.748 -5.817 -10.880 1.00 0.00 C ATOM 140 O PRO A 9 7.179 -5.645 -12.019 1.00 0.00 O ATOM 141 CB PRO A 9 4.451 -4.760 -11.131 1.00 0.00 C ATOM 142 CG PRO A 9 3.770 -4.107 -9.966 1.00 0.00 C ATOM 143 CD PRO A 9 3.933 -5.058 -8.793 1.00 0.00 C ATOM 0 HA PRO A 9 4.990 -6.858 -11.177 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.109 -4.049 -11.630 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.714 -5.083 -11.866 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.218 -3.138 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.716 -3.930 -10.180 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.300 -4.523 -7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.972 -5.494 -8.520 1.00 0.00 H new ATOM 151 N ALA A 10 7.503 -5.702 -9.790 1.00 0.00 N ATOM 152 CA ALA A 10 8.957 -5.658 -9.874 1.00 0.00 C ATOM 153 C ALA A 10 9.528 -7.065 -9.980 1.00 0.00 C ATOM 154 O ALA A 10 9.924 -7.509 -11.056 1.00 0.00 O ATOM 155 CB ALA A 10 9.541 -4.904 -8.686 1.00 0.00 C ATOM 0 H ALA A 10 7.132 -5.638 -8.842 1.00 0.00 H new ATOM 0 HA ALA A 10 9.239 -5.117 -10.777 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.628 -4.882 -8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.157 -3.884 -8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.256 -5.406 -7.761 1.00 0.00 H new ATOM 161 N CYS A 11 9.504 -7.790 -8.861 1.00 0.00 N ATOM 162 CA CYS A 11 10.283 -9.016 -8.740 1.00 0.00 C ATOM 163 C CYS A 11 9.469 -10.241 -9.137 1.00 0.00 C ATOM 164 O CYS A 11 9.968 -11.370 -9.079 1.00 0.00 O ATOM 165 CB CYS A 11 10.943 -9.145 -7.380 1.00 0.00 C ATOM 166 SG CYS A 11 9.842 -9.308 -5.961 1.00 0.00 S ATOM 0 H CYS A 11 8.958 -7.550 -8.034 1.00 0.00 H new ATOM 0 HA CYS A 11 11.103 -8.954 -9.455 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.602 -10.013 -7.402 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.574 -8.270 -7.223 1.00 0.00 H new ATOM 171 N GLU A 12 8.164 -10.043 -9.289 1.00 0.00 N ATOM 172 CA GLU A 12 7.198 -11.134 -9.300 1.00 0.00 C ATOM 173 C GLU A 12 7.260 -11.908 -7.982 1.00 0.00 C ATOM 174 O GLU A 12 7.269 -13.140 -7.966 1.00 0.00 O ATOM 175 CB GLU A 12 7.479 -12.011 -10.508 1.00 0.00 C ATOM 176 CG GLU A 12 6.808 -11.598 -11.792 1.00 0.00 C ATOM 177 CD GLU A 12 6.837 -10.140 -12.158 1.00 0.00 C ATOM 178 OE1 GLU A 12 6.687 -9.235 -11.355 1.00 0.00 O ATOM 179 OE2 GLU A 12 6.864 -9.969 -13.396 1.00 0.00 O ATOM 0 H GLU A 12 7.746 -9.120 -9.408 1.00 0.00 H new ATOM 0 HA GLU A 12 6.181 -10.751 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.556 -12.033 -10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.172 -13.030 -10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.269 -12.157 -12.606 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.765 -11.910 -11.741 1.00 0.00 H new ATOM 186 N SER A 13 7.054 -11.177 -6.887 1.00 0.00 N ATOM 187 CA SER A 13 6.663 -11.779 -5.615 1.00 0.00 C ATOM 188 C SER A 13 5.254 -11.337 -5.234 1.00 0.00 C ATOM 189 O SER A 13 4.613 -10.579 -5.960 1.00 0.00 O ATOM 190 CB SER A 13 7.661 -11.458 -4.513 1.00 0.00 C ATOM 191 OG SER A 13 8.917 -12.066 -4.755 1.00 0.00 O ATOM 0 H SER A 13 7.152 -10.162 -6.857 1.00 0.00 H new ATOM 0 HA SER A 13 6.663 -12.862 -5.738 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.787 -10.378 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.269 -11.800 -3.555 1.00 0.00 H new ATOM 0 HG SER A 13 9.519 -11.417 -5.175 1.00 0.00 H new ATOM 197 N ALA A 14 4.739 -11.939 -4.168 1.00 0.00 N ATOM 198 CA ALA A 14 3.353 -11.744 -3.765 1.00 0.00 C ATOM 199 C ALA A 14 3.241 -11.370 -2.287 1.00 0.00 C ATOM 200 O ALA A 14 2.135 -11.163 -1.781 1.00 0.00 O ATOM 201 CB ALA A 14 2.547 -13.006 -4.055 1.00 0.00 C ATOM 0 H ALA A 14 5.266 -12.570 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 14 2.948 -10.914 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.511 -12.854 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.584 -13.224 -5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.969 -13.843 -3.499 1.00 0.00 H new ATOM 207 N GLU A 15 4.357 -11.471 -1.581 1.00 0.00 N ATOM 208 CA GLU A 15 4.345 -11.525 -0.121 1.00 0.00 C ATOM 209 C GLU A 15 4.606 -10.134 0.455 1.00 0.00 C ATOM 210 O GLU A 15 5.239 -10.001 1.506 1.00 0.00 O ATOM 211 CB GLU A 15 5.402 -12.528 0.317 1.00 0.00 C ATOM 212 CG GLU A 15 5.149 -13.961 -0.069 1.00 0.00 C ATOM 213 CD GLU A 15 3.827 -14.565 0.312 1.00 0.00 C ATOM 214 OE1 GLU A 15 3.107 -14.124 1.192 1.00 0.00 O ATOM 215 OE2 GLU A 15 3.464 -15.446 -0.497 1.00 0.00 O ATOM 0 H GLU A 15 5.288 -11.518 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 15 3.372 -11.846 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.361 -12.223 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.498 -12.476 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.254 -14.040 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.936 -14.571 0.373 1.00 0.00 H new ATOM 222 N LEU A 16 3.807 -9.177 -0.017 1.00 0.00 N ATOM 223 CA LEU A 16 3.961 -7.788 0.394 1.00 0.00 C ATOM 224 C LEU A 16 3.549 -7.615 1.852 1.00 0.00 C ATOM 225 O LEU A 16 3.205 -8.583 2.529 1.00 0.00 O ATOM 226 CB LEU A 16 3.161 -6.914 -0.585 1.00 0.00 C ATOM 227 CG LEU A 16 3.333 -7.208 -2.066 1.00 0.00 C ATOM 228 CD1 LEU A 16 2.305 -6.456 -2.897 1.00 0.00 C ATOM 229 CD2 LEU A 16 4.744 -6.802 -2.480 1.00 0.00 C ATOM 0 H LEU A 16 3.051 -9.340 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 16 5.003 -7.472 0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.103 -7.011 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.434 -5.873 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 16 3.181 -8.273 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.452 -6.685 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.302 -6.759 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.423 -5.384 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.885 -7.006 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.886 -5.737 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.471 -7.372 -1.901 1.00 0.00 H new ATOM 241 N ILE A 17 3.730 -6.398 2.355 1.00 0.00 N ATOM 242 CA ILE A 17 3.626 -6.130 3.783 1.00 0.00 C ATOM 243 C ILE A 17 3.325 -4.656 4.028 1.00 0.00 C ATOM 244 O ILE A 17 3.645 -3.799 3.208 1.00 0.00 O ATOM 245 CB ILE A 17 4.943 -6.588 4.519 1.00 0.00 C ATOM 246 CG1 ILE A 17 6.172 -6.095 3.710 1.00 0.00 C ATOM 247 CG2 ILE A 17 4.985 -8.110 4.774 1.00 0.00 C ATOM 248 CD1 ILE A 17 7.538 -6.434 4.352 1.00 0.00 C ATOM 0 H ILE A 17 3.951 -5.578 1.790 1.00 0.00 H new ATOM 0 HA ILE A 17 2.797 -6.706 4.195 1.00 0.00 H new ATOM 0 HB ILE A 17 4.962 -6.133 5.509 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.134 -6.533 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.101 -5.014 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.914 -8.368 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.138 -8.398 5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.933 -8.640 3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.341 -6.053 3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.601 -5.973 5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.636 -7.515 4.450 1.00 0.00 H new ATOM 260 N TYR A 18 2.681 -4.385 5.158 1.00 0.00 N ATOM 261 CA TYR A 18 2.134 -3.061 5.430 1.00 0.00 C ATOM 262 C TYR A 18 2.975 -2.343 6.479 1.00 0.00 C ATOM 263 O TYR A 18 3.383 -2.932 7.477 1.00 0.00 O ATOM 264 CB TYR A 18 0.659 -3.155 5.877 1.00 0.00 C ATOM 265 CG TYR A 18 -0.189 -1.973 5.469 1.00 0.00 C ATOM 266 CD1 TYR A 18 -0.106 -0.768 6.169 1.00 0.00 C ATOM 267 CD2 TYR A 18 -1.127 -2.069 4.437 1.00 0.00 C ATOM 268 CE1 TYR A 18 -0.920 0.313 5.851 1.00 0.00 C ATOM 269 CE2 TYR A 18 -1.929 -0.986 4.086 1.00 0.00 C ATOM 270 CZ TYR A 18 -1.844 0.195 4.821 1.00 0.00 C ATOM 271 OH TYR A 18 -2.662 1.261 4.568 1.00 0.00 O ATOM 0 H TYR A 18 2.525 -5.066 5.901 1.00 0.00 H new ATOM 0 HA TYR A 18 2.167 -2.481 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.222 -4.062 5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.626 -3.254 6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.606 -0.674 6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.232 -3.001 3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.834 1.238 6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.611 -1.061 3.252 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.132 2.002 4.208 1.00 0.00 H new ATOM 281 N ASP A 19 3.308 -1.090 6.183 1.00 0.00 N ATOM 282 CA ASP A 19 4.021 -0.242 7.122 1.00 0.00 C ATOM 283 C ASP A 19 3.057 0.812 7.707 1.00 0.00 C ATOM 284 O ASP A 19 2.793 1.857 7.093 1.00 0.00 O ATOM 285 CB ASP A 19 5.281 0.358 6.513 1.00 0.00 C ATOM 286 CG ASP A 19 6.458 0.387 7.471 1.00 0.00 C ATOM 287 OD1 ASP A 19 6.491 1.194 8.412 1.00 0.00 O ATOM 288 OD2 ASP A 19 7.375 -0.433 7.246 1.00 0.00 O ATOM 0 H ASP A 19 3.092 -0.641 5.293 1.00 0.00 H new ATOM 0 HA ASP A 19 4.378 -0.854 7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.556 -0.215 5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.067 1.374 6.181 1.00 0.00 H new ATOM 293 N PRO A 20 2.446 0.458 8.855 1.00 0.00 N ATOM 294 CA PRO A 20 1.312 1.232 9.425 1.00 0.00 C ATOM 295 C PRO A 20 1.657 2.687 9.729 1.00 0.00 C ATOM 296 O PRO A 20 0.783 3.489 10.051 1.00 0.00 O ATOM 297 CB PRO A 20 0.837 0.465 10.652 1.00 0.00 C ATOM 298 CG PRO A 20 1.482 -0.892 10.641 1.00 0.00 C ATOM 299 CD PRO A 20 2.632 -0.792 9.649 1.00 0.00 C ATOM 0 HA PRO A 20 0.511 1.316 8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.102 1.004 11.562 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.249 0.369 10.643 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.843 -1.162 11.633 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.771 -1.661 10.340 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.587 -0.772 10.173 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.646 -1.662 8.993 1.00 0.00 H new ATOM 307 N GLU A 21 2.952 2.981 9.707 1.00 0.00 N ATOM 308 CA GLU A 21 3.454 4.269 10.170 1.00 0.00 C ATOM 309 C GLU A 21 3.265 5.326 9.082 1.00 0.00 C ATOM 310 O GLU A 21 2.596 6.335 9.301 1.00 0.00 O ATOM 311 CB GLU A 21 4.924 4.096 10.533 1.00 0.00 C ATOM 312 CG GLU A 21 5.217 3.888 11.995 1.00 0.00 C ATOM 313 CD GLU A 21 4.261 3.039 12.786 1.00 0.00 C ATOM 314 OE1 GLU A 21 4.056 1.859 12.561 1.00 0.00 O ATOM 315 OE2 GLU A 21 3.574 3.722 13.576 1.00 0.00 O ATOM 0 H GLU A 21 3.675 2.343 9.373 1.00 0.00 H new ATOM 0 HA GLU A 21 2.903 4.608 11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.318 3.245 9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.469 4.977 10.194 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.208 3.443 12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.267 4.868 12.470 1.00 0.00 H new ATOM 322 N ARG A 22 3.665 4.964 7.868 1.00 0.00 N ATOM 323 CA ARG A 22 3.370 5.763 6.687 1.00 0.00 C ATOM 324 C ARG A 22 2.044 5.330 6.069 1.00 0.00 C ATOM 325 O ARG A 22 1.499 6.016 5.206 1.00 0.00 O ATOM 326 CB ARG A 22 4.487 5.660 5.639 1.00 0.00 C ATOM 327 CG ARG A 22 5.706 6.527 5.924 1.00 0.00 C ATOM 328 CD ARG A 22 6.562 5.939 6.994 1.00 0.00 C ATOM 329 NE ARG A 22 7.602 5.076 6.452 1.00 0.00 N ATOM 330 CZ ARG A 22 8.858 5.481 6.253 1.00 0.00 C ATOM 331 NH1 ARG A 22 9.200 6.762 6.352 1.00 0.00 N ATOM 332 NH2 ARG A 22 9.780 4.588 5.895 1.00 0.00 N ATOM 0 H ARG A 22 4.198 4.116 7.677 1.00 0.00 H new ATOM 0 HA ARG A 22 3.299 6.803 7.007 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.806 4.620 5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.081 5.936 4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.292 6.643 5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.382 7.524 6.224 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.022 6.741 7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.939 5.367 7.682 1.00 0.00 H new ATOM 0 HE ARG A 22 7.359 4.115 6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.495 7.462 6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.167 7.045 6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.522 3.608 5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.744 4.884 5.740 1.00 0.00 H new ATOM 346 N GLY A 23 1.674 4.083 6.349 1.00 0.00 N ATOM 347 CA GLY A 23 0.462 3.498 5.798 1.00 0.00 C ATOM 348 C GLY A 23 0.766 2.765 4.495 1.00 0.00 C ATOM 349 O GLY A 23 -0.108 2.591 3.649 1.00 0.00 O ATOM 0 H GLY A 23 2.202 3.458 6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.026 2.806 6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.277 4.279 5.619 1.00 0.00 H new ATOM 353 N GLU A 24 2.050 2.493 4.288 1.00 0.00 N ATOM 354 CA GLU A 24 2.534 1.968 3.019 1.00 0.00 C ATOM 355 C GLU A 24 2.262 0.464 2.936 1.00 0.00 C ATOM 356 O GLU A 24 2.166 -0.211 3.959 1.00 0.00 O ATOM 357 CB GLU A 24 4.024 2.272 2.922 1.00 0.00 C ATOM 358 CG GLU A 24 4.596 2.313 1.530 1.00 0.00 C ATOM 359 CD GLU A 24 5.105 3.634 1.023 1.00 0.00 C ATOM 360 OE1 GLU A 24 6.154 3.984 1.607 1.00 0.00 O ATOM 361 OE2 GLU A 24 4.485 4.354 0.261 1.00 0.00 O ATOM 0 H GLU A 24 2.778 2.629 4.989 1.00 0.00 H new ATOM 0 HA GLU A 24 2.015 2.437 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.211 3.234 3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.567 1.521 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.416 1.597 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.827 1.963 0.841 1.00 0.00 H new ATOM 368 N ILE A 25 2.354 -0.062 1.719 1.00 0.00 N ATOM 369 CA ILE A 25 2.431 -1.499 1.501 1.00 0.00 C ATOM 370 C ILE A 25 3.590 -1.822 0.555 1.00 0.00 C ATOM 371 O ILE A 25 3.665 -1.272 -0.543 1.00 0.00 O ATOM 372 CB ILE A 25 1.068 -2.059 0.951 1.00 0.00 C ATOM 373 CG1 ILE A 25 -0.115 -1.366 1.674 1.00 0.00 C ATOM 374 CG2 ILE A 25 0.979 -3.600 1.038 1.00 0.00 C ATOM 375 CD1 ILE A 25 -0.618 -0.076 0.979 1.00 0.00 C ATOM 0 H ILE A 25 2.377 0.492 0.863 1.00 0.00 H new ATOM 0 HA ILE A 25 2.620 -1.990 2.456 1.00 0.00 H new ATOM 0 HB ILE A 25 1.012 -1.823 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.943 -2.071 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.189 -1.122 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.018 -3.932 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.784 -4.045 0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.073 -3.912 2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.446 0.345 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.194 0.650 0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.956 -0.314 -0.030 1.00 0.00 H new ATOM 387 N VAL A 26 4.595 -2.494 1.107 1.00 0.00 N ATOM 388 CA VAL A 26 5.866 -2.679 0.426 1.00 0.00 C ATOM 389 C VAL A 26 6.080 -4.160 0.102 1.00 0.00 C ATOM 390 O VAL A 26 5.460 -5.027 0.716 1.00 0.00 O ATOM 391 CB VAL A 26 7.025 -2.065 1.236 1.00 0.00 C ATOM 392 CG1 VAL A 26 8.300 -1.917 0.413 1.00 0.00 C ATOM 393 CG2 VAL A 26 6.634 -0.740 1.869 1.00 0.00 C ATOM 0 H VAL A 26 4.550 -2.922 2.032 1.00 0.00 H new ATOM 0 HA VAL A 26 5.845 -2.143 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 26 7.239 -2.771 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.084 -1.480 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.621 -2.897 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.108 -1.268 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.479 -0.342 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.351 -0.033 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.791 -0.893 2.543 1.00 0.00 H new ATOM 403 N CYS A 27 7.204 -4.415 -0.571 1.00 0.00 N ATOM 404 CA CYS A 27 7.585 -5.777 -0.924 1.00 0.00 C ATOM 405 C CYS A 27 8.448 -6.385 0.184 1.00 0.00 C ATOM 406 O CYS A 27 9.626 -6.030 0.309 1.00 0.00 O ATOM 407 CB CYS A 27 8.296 -5.812 -2.271 1.00 0.00 C ATOM 408 SG CYS A 27 8.485 -7.464 -2.986 1.00 0.00 S ATOM 0 H CYS A 27 7.861 -3.698 -0.879 1.00 0.00 H new ATOM 0 HA CYS A 27 6.682 -6.380 -1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.744 -5.188 -2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.284 -5.366 -2.156 1.00 0.00 H new ATOM 413 N ALA A 28 8.005 -7.553 0.651 1.00 0.00 N ATOM 414 CA ALA A 28 8.746 -8.314 1.642 1.00 0.00 C ATOM 415 C ALA A 28 9.939 -9.033 1.026 1.00 0.00 C ATOM 416 O ALA A 28 10.723 -9.670 1.733 1.00 0.00 O ATOM 417 CB ALA A 28 7.817 -9.304 2.346 1.00 0.00 C ATOM 0 H ALA A 28 7.132 -7.989 0.354 1.00 0.00 H new ATOM 0 HA ALA A 28 9.139 -7.613 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.382 -9.870 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.013 -8.759 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.393 -9.990 1.612 1.00 0.00 H new ATOM 423 N LYS A 29 10.187 -8.736 -0.245 1.00 0.00 N ATOM 424 CA LYS A 29 11.313 -9.309 -0.967 1.00 0.00 C ATOM 425 C LYS A 29 12.308 -8.222 -1.354 1.00 0.00 C ATOM 426 O LYS A 29 13.371 -8.093 -0.748 1.00 0.00 O ATOM 427 CB LYS A 29 10.864 -10.049 -2.228 1.00 0.00 C ATOM 428 CG LYS A 29 11.493 -11.433 -2.391 1.00 0.00 C ATOM 429 CD LYS A 29 12.737 -11.423 -3.261 1.00 0.00 C ATOM 430 CE LYS A 29 13.919 -12.060 -2.659 1.00 0.00 C ATOM 431 NZ LYS A 29 15.037 -12.158 -3.631 1.00 0.00 N ATOM 0 H LYS A 29 9.617 -8.096 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 29 11.789 -10.026 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.779 -10.154 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.111 -9.443 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.748 -11.828 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.758 -12.111 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.510 -11.927 -4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.984 -10.390 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.240 -11.486 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.656 -13.056 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.854 -12.611 -3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.737 -12.726 -4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.304 -11.205 -3.951 1.00 0.00 H new ATOM 445 N CYS A 30 11.880 -7.343 -2.264 1.00 0.00 N ATOM 446 CA CYS A 30 12.813 -6.428 -2.910 1.00 0.00 C ATOM 447 C CYS A 30 12.890 -5.096 -2.172 1.00 0.00 C ATOM 448 O CYS A 30 13.658 -4.211 -2.565 1.00 0.00 O ATOM 449 CB CYS A 30 12.546 -6.286 -4.394 1.00 0.00 C ATOM 450 SG CYS A 30 10.992 -5.509 -4.877 1.00 0.00 S ATOM 0 H CYS A 30 10.910 -7.249 -2.564 1.00 0.00 H new ATOM 0 HA CYS A 30 13.807 -6.869 -2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 30 13.362 -5.711 -4.831 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.581 -7.280 -4.841 1.00 0.00 H new ATOM 455 N GLY A 31 11.844 -4.838 -1.378 1.00 0.00 N ATOM 456 CA GLY A 31 11.774 -3.602 -0.610 1.00 0.00 C ATOM 457 C GLY A 31 10.873 -2.572 -1.283 1.00 0.00 C ATOM 458 O GLY A 31 10.787 -1.428 -0.824 1.00 0.00 O ATOM 0 H GLY A 31 11.047 -5.463 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.399 -3.816 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.776 -3.189 -0.493 1.00 0.00 H new ATOM 462 N TYR A 32 10.508 -2.881 -2.529 1.00 0.00 N ATOM 463 CA TYR A 32 9.780 -1.941 -3.368 1.00 0.00 C ATOM 464 C TYR A 32 8.361 -1.750 -2.842 1.00 0.00 C ATOM 465 O TYR A 32 7.659 -2.715 -2.554 1.00 0.00 O ATOM 466 CB TYR A 32 9.761 -2.394 -4.842 1.00 0.00 C ATOM 467 CG TYR A 32 9.032 -1.447 -5.770 1.00 0.00 C ATOM 468 CD1 TYR A 32 9.441 -0.120 -5.925 1.00 0.00 C ATOM 469 CD2 TYR A 32 7.877 -1.860 -6.435 1.00 0.00 C ATOM 470 CE1 TYR A 32 8.739 0.762 -6.744 1.00 0.00 C ATOM 471 CE2 TYR A 32 7.169 -0.994 -7.262 1.00 0.00 C ATOM 472 CZ TYR A 32 7.613 0.310 -7.429 1.00 0.00 C ATOM 473 OH TYR A 32 6.928 1.114 -8.297 1.00 0.00 O ATOM 0 H TYR A 32 10.707 -3.777 -2.975 1.00 0.00 H new ATOM 0 HA TYR A 32 10.300 -0.984 -3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.788 -2.507 -5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.294 -3.377 -4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.318 0.229 -5.400 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.525 -2.873 -6.305 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.065 1.787 -6.847 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.279 -1.334 -7.771 1.00 0.00 H new ATOM 0 HH TYR A 32 6.173 0.617 -8.677 1.00 0.00 H new ATOM 483 N VAL A 33 7.961 -0.486 -2.729 1.00 0.00 N ATOM 484 CA VAL A 33 6.600 -0.150 -2.344 1.00 0.00 C ATOM 485 C VAL A 33 5.608 -0.686 -3.375 1.00 0.00 C ATOM 486 O VAL A 33 5.963 -0.934 -4.525 1.00 0.00 O ATOM 487 CB VAL A 33 6.449 1.362 -2.084 1.00 0.00 C ATOM 488 CG1 VAL A 33 5.037 1.742 -1.646 1.00 0.00 C ATOM 489 CG2 VAL A 33 7.476 1.868 -1.084 1.00 0.00 C ATOM 0 H VAL A 33 8.563 0.320 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 33 6.368 -0.639 -1.398 1.00 0.00 H new ATOM 0 HB VAL A 33 6.635 1.853 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.986 2.817 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.327 1.463 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.788 1.217 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.336 2.938 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.350 1.344 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.479 1.686 -1.469 1.00 0.00 H new ATOM 499 N ILE A 34 4.334 -0.592 -3.014 1.00 0.00 N ATOM 500 CA ILE A 34 3.253 -1.065 -3.874 1.00 0.00 C ATOM 501 C ILE A 34 2.224 0.055 -4.043 1.00 0.00 C ATOM 502 O ILE A 34 2.271 0.804 -5.018 1.00 0.00 O ATOM 503 CB ILE A 34 2.629 -2.367 -3.245 1.00 0.00 C ATOM 504 CG1 ILE A 34 3.668 -3.518 -3.347 1.00 0.00 C ATOM 505 CG2 ILE A 34 1.261 -2.760 -3.830 1.00 0.00 C ATOM 506 CD1 ILE A 34 3.824 -4.116 -4.765 1.00 0.00 C ATOM 0 H ILE A 34 4.022 -0.192 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 34 3.624 -1.324 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 34 2.411 -2.157 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.637 -3.146 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.379 -4.314 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.903 -3.666 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.548 -1.952 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.361 -2.940 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.568 -4.912 -4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.868 -4.522 -5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.146 -3.336 -5.455 1.00 0.00 H new ATOM 518 N GLU A 35 1.465 0.285 -2.978 1.00 0.00 N ATOM 519 CA GLU A 35 0.622 1.471 -2.873 1.00 0.00 C ATOM 520 C GLU A 35 0.894 2.191 -1.553 1.00 0.00 C ATOM 521 O GLU A 35 1.694 1.738 -0.740 1.00 0.00 O ATOM 522 CB GLU A 35 -0.830 1.023 -2.980 1.00 0.00 C ATOM 523 CG GLU A 35 -1.428 1.059 -4.360 1.00 0.00 C ATOM 524 CD GLU A 35 -2.007 -0.218 -4.904 1.00 0.00 C ATOM 525 OE1 GLU A 35 -1.244 -1.191 -4.723 1.00 0.00 O ATOM 526 OE2 GLU A 35 -3.024 -0.273 -5.572 1.00 0.00 O ATOM 0 H GLU A 35 1.416 -0.337 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 35 0.841 2.177 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.905 0.005 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.434 1.653 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.215 1.813 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.657 1.399 -5.051 1.00 0.00 H new ATOM 533 N GLU A 36 0.267 3.352 -1.399 1.00 0.00 N ATOM 534 CA GLU A 36 0.632 4.283 -0.334 1.00 0.00 C ATOM 535 C GLU A 36 -0.615 4.727 0.425 1.00 0.00 C ATOM 536 O GLU A 36 -1.529 5.315 -0.151 1.00 0.00 O ATOM 537 CB GLU A 36 1.353 5.462 -0.976 1.00 0.00 C ATOM 538 CG GLU A 36 0.677 6.067 -2.177 1.00 0.00 C ATOM 539 CD GLU A 36 1.220 5.714 -3.535 1.00 0.00 C ATOM 540 OE1 GLU A 36 1.488 4.579 -3.886 1.00 0.00 O ATOM 541 OE2 GLU A 36 1.510 6.731 -4.200 1.00 0.00 O ATOM 0 H GLU A 36 -0.495 3.672 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 36 1.292 3.808 0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.479 6.240 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.351 5.137 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.374 5.780 -2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.714 7.151 -2.072 1.00 0.00 H new ATOM 548 N ASN A 37 -0.742 4.225 1.652 1.00 0.00 N ATOM 549 CA ASN A 37 -1.782 4.694 2.558 1.00 0.00 C ATOM 550 C ASN A 37 -3.165 4.422 1.971 1.00 0.00 C ATOM 551 O ASN A 37 -3.290 3.749 0.948 1.00 0.00 O ATOM 552 CB ASN A 37 -1.552 6.140 2.986 1.00 0.00 C ATOM 553 CG ASN A 37 -1.928 7.154 1.922 1.00 0.00 C ATOM 554 OD1 ASN A 37 -3.090 7.223 1.494 1.00 0.00 O ATOM 555 ND2 ASN A 37 -0.957 7.971 1.516 1.00 0.00 N ATOM 0 H ASN A 37 -0.140 3.498 2.038 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.729 4.122 3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.131 6.340 3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.502 6.271 3.246 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.154 8.693 0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.016 7.874 1.898 1.00 0.00 H new ATOM 562 N ILE A 38 -4.186 4.744 2.760 1.00 0.00 N ATOM 563 CA ILE A 38 -5.556 4.369 2.445 1.00 0.00 C ATOM 564 C ILE A 38 -6.526 5.450 2.918 1.00 0.00 C ATOM 565 O ILE A 38 -6.855 5.522 4.100 1.00 0.00 O ATOM 566 CB ILE A 38 -5.897 2.965 3.076 1.00 0.00 C ATOM 567 CG1 ILE A 38 -4.929 1.900 2.497 1.00 0.00 C ATOM 568 CG2 ILE A 38 -7.377 2.571 2.885 1.00 0.00 C ATOM 569 CD1 ILE A 38 -5.081 0.491 3.119 1.00 0.00 C ATOM 0 H ILE A 38 -4.086 5.268 3.629 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.661 4.282 1.364 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.754 3.027 4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.089 1.828 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.904 2.240 2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.555 1.596 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.016 3.315 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.606 2.523 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.367 -0.190 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.890 0.544 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.094 0.125 2.949 1.00 0.00 H new ATOM 581 N ILE A 39 -6.832 6.375 2.015 1.00 0.00 N ATOM 582 CA ILE A 39 -7.529 7.602 2.373 1.00 0.00 C ATOM 583 C ILE A 39 -6.651 8.470 3.270 1.00 0.00 C ATOM 584 O ILE A 39 -5.826 7.959 4.025 1.00 0.00 O ATOM 585 CB ILE A 39 -8.909 7.267 3.055 1.00 0.00 C ATOM 586 CG1 ILE A 39 -9.612 6.142 2.252 1.00 0.00 C ATOM 587 CG2 ILE A 39 -9.807 8.510 3.227 1.00 0.00 C ATOM 588 CD1 ILE A 39 -9.755 6.431 0.737 1.00 0.00 C ATOM 0 H ILE A 39 -6.606 6.296 1.024 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.737 8.171 1.467 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.717 6.914 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.052 5.216 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.604 5.977 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.744 8.219 3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.297 9.244 3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.015 8.946 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.257 5.593 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.342 7.338 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -8.767 6.565 0.297 1.00 0.00 H new ATOM 600 N ASP A 40 -6.733 9.778 3.055 1.00 0.00 N ATOM 601 CA ASP A 40 -5.774 10.715 3.627 1.00 0.00 C ATOM 602 C ASP A 40 -6.500 11.856 4.333 1.00 0.00 C ATOM 603 O ASP A 40 -5.894 12.624 5.077 1.00 0.00 O ATOM 604 CB ASP A 40 -4.749 11.173 2.591 1.00 0.00 C ATOM 605 CG ASP A 40 -4.196 10.036 1.753 1.00 0.00 C ATOM 606 OD1 ASP A 40 -5.034 9.345 1.135 1.00 0.00 O ATOM 607 OD2 ASP A 40 -2.976 9.817 1.706 1.00 0.00 O ATOM 0 H ASP A 40 -7.458 10.215 2.486 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.191 10.205 4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.211 11.909 1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.926 11.674 3.101 1.00 0.00 H new ATOM 612 N MET A 41 -7.780 12.008 4.009 1.00 0.00 N ATOM 613 CA MET A 41 -8.533 13.196 4.392 1.00 0.00 C ATOM 614 C MET A 41 -9.298 12.945 5.688 1.00 0.00 C ATOM 615 O MET A 41 -10.350 13.541 5.921 1.00 0.00 O ATOM 616 CB MET A 41 -9.459 13.643 3.263 1.00 0.00 C ATOM 617 CG MET A 41 -9.208 15.084 2.900 1.00 0.00 C ATOM 618 SD MET A 41 -10.479 15.569 1.677 1.00 0.00 S ATOM 619 CE MET A 41 -9.463 15.660 0.194 1.00 0.00 C ATOM 0 H MET A 41 -8.318 11.321 3.481 1.00 0.00 H new ATOM 0 HA MET A 41 -7.832 14.011 4.573 1.00 0.00 H new ATOM 0 HB2 MET A 41 -9.304 13.011 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 41 -10.498 13.516 3.568 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.265 15.718 3.785 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.208 15.206 2.484 1.00 0.00 H new ATOM 0 HE1 MET A 41 -10.084 15.946 -0.655 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.678 16.403 0.336 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.011 14.687 0.002 1.00 0.00 H new ATOM 629 N GLY A 42 -8.651 12.225 6.600 1.00 0.00 N ATOM 630 CA GLY A 42 -9.124 12.100 7.967 1.00 0.00 C ATOM 631 C GLY A 42 -10.455 11.319 7.990 1.00 0.00 C ATOM 632 O GLY A 42 -11.545 11.896 7.864 1.00 0.00 O ATOM 0 H GLY A 42 -7.788 11.715 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.379 11.585 8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.264 13.088 8.405 1.00 0.00 H new ATOM 636 N PRO A 43 -10.345 10.010 8.289 1.00 0.00 N ATOM 637 CA PRO A 43 -11.525 9.152 8.569 1.00 0.00 C ATOM 638 C PRO A 43 -12.379 9.652 9.732 1.00 0.00 C ATOM 639 O PRO A 43 -11.880 10.328 10.631 1.00 0.00 O ATOM 640 CB PRO A 43 -10.995 7.742 8.787 1.00 0.00 C ATOM 641 CG PRO A 43 -9.498 7.765 8.694 1.00 0.00 C ATOM 642 CD PRO A 43 -9.106 9.232 8.594 1.00 0.00 C ATOM 0 HA PRO A 43 -12.213 9.177 7.724 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.306 7.369 9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.409 7.064 8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.046 7.299 9.569 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.153 7.209 7.823 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.659 9.574 9.528 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.360 9.377 7.812 1.00 0.00 H new ATOM 650 N GLU A 44 -13.616 9.171 9.778 1.00 0.00 N ATOM 651 CA GLU A 44 -14.465 9.338 10.952 1.00 0.00 C ATOM 652 C GLU A 44 -15.555 8.265 10.966 1.00 0.00 C ATOM 653 O GLU A 44 -16.400 8.224 10.074 1.00 0.00 O ATOM 654 CB GLU A 44 -15.058 10.739 10.907 1.00 0.00 C ATOM 655 CG GLU A 44 -14.640 11.666 12.018 1.00 0.00 C ATOM 656 CD GLU A 44 -15.568 12.792 12.374 1.00 0.00 C ATOM 657 OE1 GLU A 44 -16.758 12.415 12.437 1.00 0.00 O ATOM 658 OE2 GLU A 44 -15.227 13.961 12.435 1.00 0.00 O ATOM 0 H GLU A 44 -14.055 8.660 9.012 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.887 9.222 11.869 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.786 11.197 9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.145 10.653 10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.482 11.066 12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.676 12.098 11.749 1.00 0.00 H new ATOM 665 N TRP A 45 -15.384 7.294 11.856 1.00 0.00 N ATOM 666 CA TRP A 45 -16.164 6.066 11.821 1.00 0.00 C ATOM 667 C TRP A 45 -17.292 6.122 12.848 1.00 0.00 C ATOM 668 O TRP A 45 -17.125 5.681 13.985 1.00 0.00 O ATOM 669 CB TRP A 45 -15.274 4.835 12.000 1.00 0.00 C ATOM 670 CG TRP A 45 -14.852 4.175 10.735 1.00 0.00 C ATOM 671 CD1 TRP A 45 -15.639 3.836 9.668 1.00 0.00 C ATOM 672 CD2 TRP A 45 -13.512 3.803 10.373 1.00 0.00 C ATOM 673 NE1 TRP A 45 -14.877 3.270 8.674 1.00 0.00 N ATOM 674 CE2 TRP A 45 -13.572 3.240 9.078 1.00 0.00 C ATOM 675 CE3 TRP A 45 -12.287 3.891 11.025 1.00 0.00 C ATOM 676 CZ2 TRP A 45 -12.442 2.775 8.421 1.00 0.00 C ATOM 677 CZ3 TRP A 45 -11.164 3.425 10.373 1.00 0.00 C ATOM 678 CH2 TRP A 45 -11.235 2.879 9.094 1.00 0.00 C ATOM 0 H TRP A 45 -14.705 7.336 12.616 1.00 0.00 H new ATOM 0 HA TRP A 45 -16.622 5.974 10.836 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -14.382 5.127 12.555 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -15.806 4.107 12.612 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -16.706 3.991 9.615 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.229 2.928 7.780 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -12.216 4.313 12.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -12.500 2.351 7.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.206 3.485 10.867 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -10.331 2.530 8.617 1.00 0.00 H new ATOM 689 N ARG A 46 -18.483 6.462 12.366 1.00 0.00 N ATOM 690 CA ARG A 46 -19.705 6.307 13.141 1.00 0.00 C ATOM 691 C ARG A 46 -19.693 7.242 14.348 1.00 0.00 C ATOM 692 O ARG A 46 -20.409 8.242 14.376 1.00 0.00 O ATOM 693 CB ARG A 46 -19.904 4.860 13.609 1.00 0.00 C ATOM 694 CG ARG A 46 -21.279 4.280 13.307 1.00 0.00 C ATOM 695 CD ARG A 46 -21.181 2.947 12.645 1.00 0.00 C ATOM 696 NE ARG A 46 -22.462 2.257 12.609 1.00 0.00 N ATOM 697 CZ ARG A 46 -22.649 1.094 11.982 1.00 0.00 C ATOM 698 NH1 ARG A 46 -21.723 0.581 11.178 1.00 0.00 N ATOM 699 NH2 ARG A 46 -23.813 0.458 12.123 1.00 0.00 N ATOM 0 H ARG A 46 -18.626 6.850 11.434 1.00 0.00 H new ATOM 0 HA ARG A 46 -20.538 6.568 12.488 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -19.148 4.232 13.138 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -19.732 4.813 14.684 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -21.846 4.186 14.233 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -21.830 4.966 12.664 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -20.810 3.074 11.628 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -20.454 2.332 13.175 1.00 0.00 H new ATOM 0 HE ARG A 46 -23.256 2.683 13.087 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -20.845 1.078 11.029 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -21.890 -0.310 10.710 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -24.547 0.861 12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -23.969 -0.432 11.649 1.00 0.00 H new ATOM 713 N ALA A 47 -18.993 6.815 15.393 1.00 0.00 N ATOM 714 CA ALA A 47 -19.124 7.428 16.711 1.00 0.00 C ATOM 715 C ALA A 47 -18.035 6.911 17.645 1.00 0.00 C ATOM 716 O ALA A 47 -17.096 6.244 17.209 1.00 0.00 O ATOM 717 CB ALA A 47 -20.513 7.156 17.280 1.00 0.00 C ATOM 0 H ALA A 47 -18.326 6.044 15.353 1.00 0.00 H new ATOM 0 HA ALA A 47 -19.001 8.507 16.616 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -20.600 7.618 18.264 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -21.267 7.575 16.614 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -20.665 6.080 17.369 1.00 0.00 H new ATOM 723 N PHE A 48 -18.261 7.095 18.940 1.00 0.00 N ATOM 724 CA PHE A 48 -17.413 6.503 19.965 1.00 0.00 C ATOM 725 C PHE A 48 -16.065 7.215 20.019 1.00 0.00 C ATOM 726 O PHE A 48 -15.659 7.720 21.063 1.00 0.00 O ATOM 727 CB PHE A 48 -17.172 4.983 19.774 1.00 0.00 C ATOM 728 CG PHE A 48 -17.983 4.152 20.725 1.00 0.00 C ATOM 729 CD1 PHE A 48 -19.314 3.802 20.496 1.00 0.00 C ATOM 730 CD2 PHE A 48 -17.357 3.730 21.901 1.00 0.00 C ATOM 731 CE1 PHE A 48 -20.003 2.993 21.404 1.00 0.00 C ATOM 732 CE2 PHE A 48 -18.022 2.928 22.815 1.00 0.00 C ATOM 733 CZ PHE A 48 -19.334 2.531 22.551 1.00 0.00 C ATOM 0 H PHE A 48 -19.031 7.654 19.306 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.954 6.630 20.903 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.420 4.704 18.750 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -16.114 4.765 19.917 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -19.816 4.159 19.609 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.340 4.033 22.101 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -21.035 2.727 21.227 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.530 2.613 23.723 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.839 1.864 23.233 1.00 0.00 H new ATOM 743 N ASP A 49 -15.349 7.167 18.900 1.00 0.00 N ATOM 744 CA ASP A 49 -13.964 7.614 18.854 1.00 0.00 C ATOM 745 C ASP A 49 -13.068 6.649 19.626 1.00 0.00 C ATOM 746 O ASP A 49 -12.586 6.969 20.711 1.00 0.00 O ATOM 747 CB ASP A 49 -13.828 9.073 19.285 1.00 0.00 C ATOM 748 CG ASP A 49 -12.704 9.806 18.577 1.00 0.00 C ATOM 749 OD1 ASP A 49 -11.673 9.140 18.339 1.00 0.00 O ATOM 750 OD2 ASP A 49 -12.803 11.013 18.308 1.00 0.00 O ATOM 0 H ASP A 49 -15.708 6.821 18.010 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.617 7.594 17.821 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.768 9.591 19.092 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.657 9.112 20.361 1.00 0.00 H new ATOM 755 N ALA A 50 -12.745 5.535 18.980 1.00 0.00 N ATOM 756 CA ALA A 50 -11.725 4.621 19.481 1.00 0.00 C ATOM 757 C ALA A 50 -10.698 4.326 18.390 1.00 0.00 C ATOM 758 O ALA A 50 -11.084 4.124 17.229 1.00 0.00 O ATOM 759 CB ALA A 50 -12.369 3.336 19.989 1.00 0.00 C ATOM 760 OXT ALA A 50 -9.494 4.512 18.619 1.00 0.00 O ATOM 0 H ALA A 50 -13.177 5.242 18.104 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.207 5.093 20.316 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.596 2.663 20.360 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.063 3.571 20.796 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.910 2.853 19.175 1.00 0.00 H new TER 766 ALA A 50 HETATM 767 ZN ZN A 51 9.384 -7.177 -5.136 1.00 0.00 ZN