USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 738 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 73 CYS SG : rot 85:sc= -0.412 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.794 X(o=-1.2,f=-0.76) USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.00609 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.345 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0542) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.22) USER MOD Single : A 20 THR OG1 : rot -101:sc= 0.107 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc=-0.00126 X(o=-0.0013,f=-0.46) USER MOD Single : A 35 TYR OH : rot -161:sc= 0.0716 USER MOD Single : A 38 MET CE :methyl -171:sc= -3.81! (180deg=-3.93!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -90:sc= -1.95 USER MOD Single : A 43 THR OG1 : rot 160:sc= -0.139 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 170:sc= -0.0994 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -15:sc= -0.0132 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 4:sc= 1.14 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 140:sc= -0.117 (180deg=-0.361) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.269 12.776 -6.653 1.00 0.00 N ATOM 2 CA GLY A 1 -15.396 11.864 -6.402 1.00 0.00 C ATOM 3 C GLY A 1 -16.350 12.452 -5.385 1.00 0.00 C ATOM 4 O GLY A 1 -15.917 12.974 -4.356 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.388 12.228 -6.722 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.429 13.289 -7.544 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.193 13.457 -5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.926 11.670 -7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.021 10.906 -6.043 1.00 0.00 H new ATOM 8 N SER A 2 -17.648 12.397 -5.665 1.00 0.00 N ATOM 9 CA SER A 2 -18.713 12.928 -4.824 1.00 0.00 C ATOM 10 C SER A 2 -19.094 11.911 -3.748 1.00 0.00 C ATOM 11 O SER A 2 -19.559 10.834 -4.104 1.00 0.00 O ATOM 12 CB SER A 2 -19.924 13.232 -5.718 1.00 0.00 C ATOM 13 OG SER A 2 -20.245 12.132 -6.561 1.00 0.00 O ATOM 0 H SER A 2 -18.000 11.964 -6.519 1.00 0.00 H new ATOM 0 HA SER A 2 -18.377 13.838 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.784 13.476 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.714 14.110 -6.329 1.00 0.00 H new ATOM 0 HG SER A 2 -20.121 11.294 -6.068 1.00 0.00 H new ATOM 19 N HIS A 3 -18.967 12.258 -2.466 1.00 0.00 N ATOM 20 CA HIS A 3 -19.370 11.415 -1.340 1.00 0.00 C ATOM 21 C HIS A 3 -18.865 9.976 -1.489 1.00 0.00 C ATOM 22 O HIS A 3 -19.634 9.019 -1.391 1.00 0.00 O ATOM 23 CB HIS A 3 -20.889 11.498 -1.138 1.00 0.00 C ATOM 24 CG HIS A 3 -21.408 12.885 -0.881 1.00 0.00 C ATOM 25 ND1 HIS A 3 -21.273 13.594 0.291 1.00 0.00 N ATOM 26 CD2 HIS A 3 -22.193 13.615 -1.731 1.00 0.00 C ATOM 27 CE1 HIS A 3 -21.986 14.722 0.166 1.00 0.00 C ATOM 28 NE2 HIS A 3 -22.568 14.775 -1.045 1.00 0.00 N ATOM 0 H HIS A 3 -18.572 13.153 -2.176 1.00 0.00 H new ATOM 0 HA HIS A 3 -18.896 11.795 -0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -21.383 11.097 -2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.167 10.858 -0.300 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -22.470 13.347 -2.740 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -22.080 15.480 0.929 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -23.169 15.520 -1.397 1.00 0.00 H new ATOM 36 N GLU A 4 -17.562 9.845 -1.732 1.00 0.00 N ATOM 37 CA GLU A 4 -16.834 8.589 -1.866 1.00 0.00 C ATOM 38 C GLU A 4 -15.423 8.808 -1.293 1.00 0.00 C ATOM 39 O GLU A 4 -15.152 9.858 -0.694 1.00 0.00 O ATOM 40 CB GLU A 4 -16.873 8.135 -3.346 1.00 0.00 C ATOM 41 CG GLU A 4 -17.941 7.049 -3.584 1.00 0.00 C ATOM 42 CD GLU A 4 -18.508 7.051 -5.009 1.00 0.00 C ATOM 43 OE1 GLU A 4 -17.718 6.932 -5.977 1.00 0.00 O ATOM 44 OE2 GLU A 4 -19.753 7.116 -5.160 1.00 0.00 O ATOM 0 H GLU A 4 -16.955 10.657 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.285 7.773 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.080 8.994 -3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.894 7.752 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.506 6.071 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.758 7.192 -2.876 1.00 0.00 H new ATOM 51 N GLY A 5 -14.530 7.821 -1.415 1.00 0.00 N ATOM 52 CA GLY A 5 -13.147 7.904 -0.961 1.00 0.00 C ATOM 53 C GLY A 5 -12.821 6.695 -0.105 1.00 0.00 C ATOM 54 O GLY A 5 -12.844 6.776 1.122 1.00 0.00 O ATOM 0 H GLY A 5 -14.758 6.924 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.474 7.948 -1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.995 8.819 -0.389 1.00 0.00 H new ATOM 58 N GLU A 6 -12.537 5.571 -0.751 1.00 0.00 N ATOM 59 CA GLU A 6 -12.292 4.275 -0.130 1.00 0.00 C ATOM 60 C GLU A 6 -10.849 3.823 -0.427 1.00 0.00 C ATOM 61 O GLU A 6 -10.620 3.129 -1.421 1.00 0.00 O ATOM 62 CB GLU A 6 -13.363 3.248 -0.540 1.00 0.00 C ATOM 63 CG GLU A 6 -13.722 3.231 -2.037 1.00 0.00 C ATOM 64 CD GLU A 6 -14.929 4.121 -2.348 1.00 0.00 C ATOM 65 OE1 GLU A 6 -16.071 3.645 -2.163 1.00 0.00 O ATOM 66 OE2 GLU A 6 -14.733 5.289 -2.763 1.00 0.00 O ATOM 0 H GLU A 6 -12.468 5.536 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.381 4.362 0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.017 2.254 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.270 3.446 0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.864 3.567 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.936 2.208 -2.347 1.00 0.00 H new ATOM 73 N PRO A 7 -9.848 4.237 0.372 1.00 0.00 N ATOM 74 CA PRO A 7 -8.437 3.892 0.177 1.00 0.00 C ATOM 75 C PRO A 7 -8.165 2.443 0.626 1.00 0.00 C ATOM 76 O PRO A 7 -7.426 2.189 1.584 1.00 0.00 O ATOM 77 CB PRO A 7 -7.683 4.929 1.020 1.00 0.00 C ATOM 78 CG PRO A 7 -8.621 5.087 2.220 1.00 0.00 C ATOM 79 CD PRO A 7 -9.985 5.097 1.540 1.00 0.00 C ATOM 0 HA PRO A 7 -8.121 3.923 -0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.695 4.577 1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.540 5.868 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.522 4.265 2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.431 6.008 2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.760 4.726 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.271 6.108 1.251 1.00 0.00 H new ATOM 87 N VAL A 8 -8.765 1.474 -0.054 1.00 0.00 N ATOM 88 CA VAL A 8 -8.686 0.060 0.282 1.00 0.00 C ATOM 89 C VAL A 8 -8.440 -0.737 -0.998 1.00 0.00 C ATOM 90 O VAL A 8 -8.520 -0.204 -2.105 1.00 0.00 O ATOM 91 CB VAL A 8 -9.913 -0.330 1.137 1.00 0.00 C ATOM 92 CG1 VAL A 8 -11.200 -0.457 0.317 1.00 0.00 C ATOM 93 CG2 VAL A 8 -9.670 -1.613 1.944 1.00 0.00 C ATOM 0 H VAL A 8 -9.337 1.657 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.836 -0.184 0.919 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.051 0.496 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.025 -0.733 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.421 0.496 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.071 -1.225 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.559 -1.848 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.456 -2.436 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.823 -1.467 2.614 1.00 0.00 H new ATOM 103 N VAL A 9 -8.045 -2.001 -0.858 1.00 0.00 N ATOM 104 CA VAL A 9 -7.409 -2.763 -1.919 1.00 0.00 C ATOM 105 C VAL A 9 -8.358 -3.861 -2.411 1.00 0.00 C ATOM 106 O VAL A 9 -8.123 -5.059 -2.241 1.00 0.00 O ATOM 107 CB VAL A 9 -5.989 -3.149 -1.451 1.00 0.00 C ATOM 108 CG1 VAL A 9 -5.907 -3.920 -0.128 1.00 0.00 C ATOM 109 CG2 VAL A 9 -5.206 -3.855 -2.553 1.00 0.00 C ATOM 0 H VAL A 9 -8.161 -2.527 0.008 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.233 -2.196 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.517 -2.191 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.864 -4.138 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.337 -3.317 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.462 -4.854 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.212 -4.111 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.730 -4.765 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.116 -3.195 -3.415 1.00 0.00 H new ATOM 119 N GLY A 10 -9.438 -3.425 -3.057 1.00 0.00 N ATOM 120 CA GLY A 10 -10.503 -4.258 -3.590 1.00 0.00 C ATOM 121 C GLY A 10 -10.463 -4.235 -5.108 1.00 0.00 C ATOM 122 O GLY A 10 -11.238 -3.530 -5.753 1.00 0.00 O ATOM 0 H GLY A 10 -9.597 -2.432 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.392 -5.281 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.470 -3.899 -3.237 1.00 0.00 H new ATOM 126 N MET A 11 -9.552 -5.024 -5.678 1.00 0.00 N ATOM 127 CA MET A 11 -9.372 -5.261 -7.108 1.00 0.00 C ATOM 128 C MET A 11 -9.074 -3.998 -7.927 1.00 0.00 C ATOM 129 O MET A 11 -9.069 -4.072 -9.152 1.00 0.00 O ATOM 130 CB MET A 11 -10.550 -6.074 -7.676 1.00 0.00 C ATOM 131 CG MET A 11 -10.722 -7.456 -7.028 1.00 0.00 C ATOM 132 SD MET A 11 -11.517 -7.473 -5.396 1.00 0.00 S ATOM 133 CE MET A 11 -10.277 -8.378 -4.437 1.00 0.00 C ATOM 0 H MET A 11 -8.879 -5.547 -5.117 1.00 0.00 H new ATOM 0 HA MET A 11 -8.466 -5.858 -7.208 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.470 -5.504 -7.543 1.00 0.00 H new ATOM 0 HB3 MET A 11 -10.407 -6.202 -8.749 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.307 -8.082 -7.702 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.739 -7.918 -6.937 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.615 -8.475 -3.405 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.136 -9.369 -4.868 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.332 -7.835 -4.460 1.00 0.00 H new ATOM 143 N ASP A 12 -8.800 -2.848 -7.302 1.00 0.00 N ATOM 144 CA ASP A 12 -8.530 -1.599 -8.012 1.00 0.00 C ATOM 145 C ASP A 12 -7.409 -0.830 -7.319 1.00 0.00 C ATOM 146 O ASP A 12 -7.497 -0.538 -6.122 1.00 0.00 O ATOM 147 CB ASP A 12 -9.813 -0.760 -8.093 1.00 0.00 C ATOM 148 CG ASP A 12 -9.728 0.294 -9.195 1.00 0.00 C ATOM 149 OD1 ASP A 12 -8.619 0.800 -9.466 1.00 0.00 O ATOM 150 OD2 ASP A 12 -10.768 0.548 -9.842 1.00 0.00 O ATOM 0 H ASP A 12 -8.760 -2.760 -6.287 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.203 -1.823 -9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.665 -1.414 -8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.990 -0.272 -7.135 1.00 0.00 H new ATOM 155 N LYS A 13 -6.333 -0.525 -8.045 1.00 0.00 N ATOM 156 CA LYS A 13 -5.281 0.398 -7.646 1.00 0.00 C ATOM 157 C LYS A 13 -5.478 1.676 -8.452 1.00 0.00 C ATOM 158 O LYS A 13 -4.969 1.778 -9.570 1.00 0.00 O ATOM 159 CB LYS A 13 -3.893 -0.202 -7.914 1.00 0.00 C ATOM 160 CG LYS A 13 -3.622 -1.534 -7.220 1.00 0.00 C ATOM 161 CD LYS A 13 -3.520 -1.482 -5.695 1.00 0.00 C ATOM 162 CE LYS A 13 -2.879 -2.804 -5.263 1.00 0.00 C ATOM 163 NZ LYS A 13 -2.149 -2.727 -3.984 1.00 0.00 N ATOM 0 H LYS A 13 -6.168 -0.934 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.337 0.602 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.774 -0.339 -8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.136 0.516 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.417 -2.230 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.692 -1.945 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.916 -0.634 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.505 -1.361 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.657 -3.563 -5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.192 -3.135 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.632 -3.615 -3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.475 -1.935 -4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.824 -2.576 -3.208 1.00 0.00 H new ATOM 177 N SER A 14 -6.242 2.622 -7.910 1.00 0.00 N ATOM 178 CA SER A 14 -6.435 3.930 -8.527 1.00 0.00 C ATOM 179 C SER A 14 -6.984 4.973 -7.535 1.00 0.00 C ATOM 180 O SER A 14 -7.437 6.031 -7.958 1.00 0.00 O ATOM 181 CB SER A 14 -7.369 3.757 -9.743 1.00 0.00 C ATOM 182 OG SER A 14 -6.948 4.560 -10.828 1.00 0.00 O ATOM 0 H SER A 14 -6.744 2.502 -7.030 1.00 0.00 H new ATOM 0 HA SER A 14 -5.469 4.316 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.385 2.710 -10.046 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.388 4.024 -9.463 1.00 0.00 H new ATOM 0 HG SER A 14 -7.556 4.431 -11.586 1.00 0.00 H new ATOM 188 N LEU A 15 -7.027 4.682 -6.225 1.00 0.00 N ATOM 189 CA LEU A 15 -7.889 5.408 -5.277 1.00 0.00 C ATOM 190 C LEU A 15 -7.147 5.855 -4.012 1.00 0.00 C ATOM 191 O LEU A 15 -7.764 6.390 -3.096 1.00 0.00 O ATOM 192 CB LEU A 15 -9.112 4.552 -4.879 1.00 0.00 C ATOM 193 CG LEU A 15 -9.779 3.782 -6.039 1.00 0.00 C ATOM 194 CD1 LEU A 15 -9.301 2.331 -6.074 1.00 0.00 C ATOM 195 CD2 LEU A 15 -11.296 3.804 -5.932 1.00 0.00 C ATOM 0 H LEU A 15 -6.470 3.943 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.219 6.306 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.802 3.835 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.857 5.202 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.488 4.285 -6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.784 1.808 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.220 2.307 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.557 1.841 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.728 3.252 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.601 3.341 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.648 4.835 -5.959 1.00 0.00 H new ATOM 207 N PHE A 16 -5.845 5.578 -3.912 1.00 0.00 N ATOM 208 CA PHE A 16 -5.129 5.624 -2.642 1.00 0.00 C ATOM 209 C PHE A 16 -4.582 7.021 -2.356 1.00 0.00 C ATOM 210 O PHE A 16 -4.606 7.460 -1.206 1.00 0.00 O ATOM 211 CB PHE A 16 -4.017 4.566 -2.637 1.00 0.00 C ATOM 212 CG PHE A 16 -4.528 3.140 -2.641 1.00 0.00 C ATOM 213 CD1 PHE A 16 -5.109 2.586 -3.798 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.423 2.359 -1.478 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.599 1.272 -3.781 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.853 1.022 -1.483 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.452 0.488 -2.632 1.00 0.00 C ATOM 0 H PHE A 16 -5.262 5.317 -4.707 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.828 5.395 -1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.382 4.717 -3.510 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.391 4.715 -1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.177 3.175 -4.701 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.010 2.788 -0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.089 0.866 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.723 0.408 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.802 -0.534 -2.630 1.00 0.00 H new ATOM 227 N ALA A 17 -4.127 7.729 -3.393 1.00 0.00 N ATOM 228 CA ALA A 17 -3.661 9.111 -3.373 1.00 0.00 C ATOM 229 C ALA A 17 -4.816 10.114 -3.179 1.00 0.00 C ATOM 230 O ALA A 17 -4.890 11.127 -3.879 1.00 0.00 O ATOM 231 CB ALA A 17 -2.909 9.353 -4.689 1.00 0.00 C ATOM 0 H ALA A 17 -4.072 7.323 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.000 9.270 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.542 10.379 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.067 8.665 -4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.583 9.187 -5.529 1.00 0.00 H new ATOM 237 N GLY A 18 -5.742 9.836 -2.261 1.00 0.00 N ATOM 238 CA GLY A 18 -6.874 10.701 -1.955 1.00 0.00 C ATOM 239 C GLY A 18 -7.140 10.843 -0.458 1.00 0.00 C ATOM 240 O GLY A 18 -7.670 11.879 -0.053 1.00 0.00 O ATOM 0 H GLY A 18 -5.723 8.985 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.693 11.688 -2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.766 10.304 -2.439 1.00 0.00 H new ATOM 244 N ASN A 19 -6.786 9.851 0.371 1.00 0.00 N ATOM 245 CA ASN A 19 -7.140 9.854 1.788 1.00 0.00 C ATOM 246 C ASN A 19 -5.917 10.150 2.646 1.00 0.00 C ATOM 247 O ASN A 19 -5.181 9.246 3.042 1.00 0.00 O ATOM 248 CB ASN A 19 -7.793 8.534 2.182 1.00 0.00 C ATOM 249 CG ASN A 19 -8.303 8.583 3.617 1.00 0.00 C ATOM 250 OD1 ASN A 19 -9.417 9.028 3.871 1.00 0.00 O ATOM 251 ND2 ASN A 19 -7.525 8.113 4.578 1.00 0.00 N ATOM 0 H ASN A 19 -6.251 9.034 0.077 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.867 10.647 1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.620 8.317 1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.073 7.722 2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.850 8.118 5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.601 7.746 4.352 1.00 0.00 H new ATOM 258 N THR A 20 -5.735 11.416 2.983 1.00 0.00 N ATOM 259 CA THR A 20 -4.649 12.029 3.745 1.00 0.00 C ATOM 260 C THR A 20 -4.538 11.567 5.218 1.00 0.00 C ATOM 261 O THR A 20 -4.001 12.276 6.069 1.00 0.00 O ATOM 262 CB THR A 20 -4.876 13.551 3.609 1.00 0.00 C ATOM 263 OG1 THR A 20 -6.255 13.883 3.721 1.00 0.00 O ATOM 264 CG2 THR A 20 -4.419 14.018 2.227 1.00 0.00 C ATOM 0 H THR A 20 -6.417 12.120 2.700 1.00 0.00 H new ATOM 0 HA THR A 20 -3.686 11.715 3.342 1.00 0.00 H new ATOM 0 HB THR A 20 -4.310 14.034 4.406 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.628 14.037 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.580 15.092 2.134 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.359 13.798 2.101 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.991 13.497 1.459 1.00 0.00 H new ATOM 272 N VAL A 21 -5.076 10.395 5.571 1.00 0.00 N ATOM 273 CA VAL A 21 -5.214 9.937 6.954 1.00 0.00 C ATOM 274 C VAL A 21 -5.023 8.407 7.027 1.00 0.00 C ATOM 275 O VAL A 21 -5.289 7.803 8.066 1.00 0.00 O ATOM 276 CB VAL A 21 -6.585 10.386 7.539 1.00 0.00 C ATOM 277 CG1 VAL A 21 -6.514 10.503 9.071 1.00 0.00 C ATOM 278 CG2 VAL A 21 -7.133 11.724 7.004 1.00 0.00 C ATOM 0 H VAL A 21 -5.434 9.727 4.889 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.437 10.394 7.566 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.268 9.602 7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.483 10.818 9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.250 9.535 9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.758 11.239 9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.091 11.940 7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.427 12.523 7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.269 11.656 5.925 1.00 0.00 H new ATOM 288 N ILE A 22 -4.622 7.734 5.938 1.00 0.00 N ATOM 289 CA ILE A 22 -4.353 6.306 5.961 1.00 0.00 C ATOM 290 C ILE A 22 -2.908 6.128 6.414 1.00 0.00 C ATOM 291 O ILE A 22 -1.974 6.313 5.637 1.00 0.00 O ATOM 292 CB ILE A 22 -4.735 5.623 4.631 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.617 4.097 4.791 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.978 6.120 3.384 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.377 3.343 3.699 1.00 0.00 C ATOM 0 H ILE A 22 -4.479 8.170 5.027 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.988 5.784 6.677 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.768 5.910 4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.566 3.810 4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.002 3.805 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.324 5.574 2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.165 7.185 3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.909 5.954 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.265 2.270 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.434 3.608 3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.975 3.614 2.723 1.00 0.00 H new ATOM 307 N ARG A 23 -2.726 5.834 7.698 1.00 0.00 N ATOM 308 CA ARG A 23 -1.425 5.474 8.242 1.00 0.00 C ATOM 309 C ARG A 23 -1.007 4.091 7.768 1.00 0.00 C ATOM 310 O ARG A 23 0.199 3.842 7.702 1.00 0.00 O ATOM 311 CB ARG A 23 -1.462 5.563 9.782 1.00 0.00 C ATOM 312 CG ARG A 23 -1.077 6.987 10.200 1.00 0.00 C ATOM 313 CD ARG A 23 -1.327 7.338 11.665 1.00 0.00 C ATOM 314 NE ARG A 23 -0.664 8.618 11.976 1.00 0.00 N ATOM 315 CZ ARG A 23 -0.889 9.443 12.998 1.00 0.00 C ATOM 316 NH1 ARG A 23 -1.851 9.194 13.874 1.00 0.00 N ATOM 317 NH2 ARG A 23 -0.167 10.553 13.126 1.00 0.00 N ATOM 0 H ARG A 23 -3.477 5.839 8.388 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.676 6.178 7.878 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.458 5.317 10.151 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.772 4.841 10.219 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.019 7.135 9.986 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.630 7.691 9.578 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.398 7.413 11.856 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.943 6.549 12.311 1.00 0.00 H new ATOM 0 HE ARG A 23 0.063 8.910 11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.431 8.361 13.771 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.011 9.835 14.651 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.558 10.772 12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.338 11.185 13.908 1.00 0.00 H new ATOM 331 N GLU A 24 -1.962 3.215 7.440 1.00 0.00 N ATOM 332 CA GLU A 24 -1.713 1.777 7.387 1.00 0.00 C ATOM 333 C GLU A 24 -2.354 1.151 6.153 1.00 0.00 C ATOM 334 O GLU A 24 -3.573 1.215 5.971 1.00 0.00 O ATOM 335 CB GLU A 24 -2.208 1.077 8.661 1.00 0.00 C ATOM 336 CG GLU A 24 -1.566 1.666 9.925 1.00 0.00 C ATOM 337 CD GLU A 24 -1.548 0.694 11.103 1.00 0.00 C ATOM 338 OE1 GLU A 24 -2.532 -0.054 11.309 1.00 0.00 O ATOM 339 OE2 GLU A 24 -0.520 0.695 11.820 1.00 0.00 O ATOM 0 H GLU A 24 -2.918 3.482 7.207 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.634 1.637 7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.292 1.169 8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.982 0.012 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.544 1.969 9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.109 2.566 10.214 1.00 0.00 H new ATOM 346 N ILE A 25 -1.538 0.526 5.301 1.00 0.00 N ATOM 347 CA ILE A 25 -1.975 -0.088 4.053 1.00 0.00 C ATOM 348 C ILE A 25 -1.571 -1.557 4.117 1.00 0.00 C ATOM 349 O ILE A 25 -0.467 -1.949 3.736 1.00 0.00 O ATOM 350 CB ILE A 25 -1.451 0.679 2.813 1.00 0.00 C ATOM 351 CG1 ILE A 25 -1.862 2.164 2.909 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.007 0.057 1.517 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.529 3.029 1.692 1.00 0.00 C ATOM 0 H ILE A 25 -0.536 0.433 5.466 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.057 -0.031 3.936 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.364 0.608 2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.937 2.213 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.378 2.599 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.628 0.609 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.691 -0.984 1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.096 0.105 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.862 4.051 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.452 3.022 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.035 2.630 0.813 1.00 0.00 H new ATOM 365 N THR A 26 -2.472 -2.375 4.642 1.00 0.00 N ATOM 366 CA THR A 26 -2.461 -3.809 4.448 1.00 0.00 C ATOM 367 C THR A 26 -2.753 -4.060 2.964 1.00 0.00 C ATOM 368 O THR A 26 -3.707 -3.498 2.414 1.00 0.00 O ATOM 369 CB THR A 26 -3.519 -4.463 5.358 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.513 -3.898 6.656 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.266 -5.970 5.487 1.00 0.00 C ATOM 0 H THR A 26 -3.243 -2.050 5.225 1.00 0.00 H new ATOM 0 HA THR A 26 -1.499 -4.247 4.713 1.00 0.00 H new ATOM 0 HB THR A 26 -4.488 -4.283 4.893 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.197 -4.334 7.206 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.024 -6.412 6.134 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.315 -6.433 4.501 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.279 -6.138 5.918 1.00 0.00 H new ATOM 379 N VAL A 27 -1.950 -4.890 2.308 1.00 0.00 N ATOM 380 CA VAL A 27 -2.087 -5.305 0.920 1.00 0.00 C ATOM 381 C VAL A 27 -2.116 -6.833 0.910 1.00 0.00 C ATOM 382 O VAL A 27 -1.593 -7.476 1.823 1.00 0.00 O ATOM 383 CB VAL A 27 -0.939 -4.728 0.062 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.253 -4.794 -1.438 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.656 -3.246 0.337 1.00 0.00 C ATOM 0 H VAL A 27 -1.139 -5.315 2.758 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.007 -4.921 0.479 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.083 -5.345 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.419 -4.378 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.408 -5.832 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.155 -4.219 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.161 -2.907 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.549 -2.659 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.378 -3.117 1.383 1.00 0.00 H new ATOM 395 N GLN A 28 -2.720 -7.408 -0.124 1.00 0.00 N ATOM 396 CA GLN A 28 -2.853 -8.841 -0.314 1.00 0.00 C ATOM 397 C GLN A 28 -2.149 -9.209 -1.626 1.00 0.00 C ATOM 398 O GLN A 28 -1.931 -8.323 -2.457 1.00 0.00 O ATOM 399 CB GLN A 28 -4.349 -9.210 -0.311 1.00 0.00 C ATOM 400 CG GLN A 28 -5.108 -8.682 0.919 1.00 0.00 C ATOM 401 CD GLN A 28 -6.449 -9.386 1.068 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.391 -9.136 0.317 1.00 0.00 O ATOM 403 NE2 GLN A 28 -6.586 -10.301 2.011 1.00 0.00 N ATOM 0 H GLN A 28 -3.144 -6.867 -0.877 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.385 -9.407 0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.815 -8.814 -1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.448 -10.295 -0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.509 -8.837 1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.265 -7.608 0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.807 -10.511 2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.471 -10.798 2.115 1.00 0.00 H new ATOM 412 N PRO A 29 -1.770 -10.481 -1.828 1.00 0.00 N ATOM 413 CA PRO A 29 -1.012 -10.875 -3.003 1.00 0.00 C ATOM 414 C PRO A 29 -1.888 -10.873 -4.250 1.00 0.00 C ATOM 415 O PRO A 29 -3.085 -11.168 -4.190 1.00 0.00 O ATOM 416 CB PRO A 29 -0.476 -12.273 -2.695 1.00 0.00 C ATOM 417 CG PRO A 29 -1.450 -12.826 -1.659 1.00 0.00 C ATOM 418 CD PRO A 29 -1.900 -11.586 -0.897 1.00 0.00 C ATOM 0 HA PRO A 29 -0.201 -10.177 -3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.450 -12.896 -3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.541 -12.233 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.291 -13.335 -2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.968 -13.549 -1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.930 -11.690 -0.555 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.284 -11.426 -0.012 1.00 0.00 H new ATOM 426 N ASN A 30 -1.250 -10.662 -5.399 1.00 0.00 N ATOM 427 CA ASN A 30 -1.811 -10.794 -6.743 1.00 0.00 C ATOM 428 C ASN A 30 -3.006 -9.872 -7.009 1.00 0.00 C ATOM 429 O ASN A 30 -3.775 -10.111 -7.948 1.00 0.00 O ATOM 430 CB ASN A 30 -2.123 -12.258 -7.074 1.00 0.00 C ATOM 431 CG ASN A 30 -0.962 -13.198 -6.775 1.00 0.00 C ATOM 432 OD1 ASN A 30 0.120 -13.060 -7.341 1.00 0.00 O ATOM 433 ND2 ASN A 30 -1.149 -14.156 -5.883 1.00 0.00 N ATOM 0 H ASN A 30 -0.271 -10.378 -5.419 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.035 -10.453 -7.428 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.996 -12.575 -6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.385 -12.338 -8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.388 -14.796 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.054 -14.255 -5.423 1.00 0.00 H new ATOM 440 N ILE A 31 -3.152 -8.788 -6.245 1.00 0.00 N ATOM 441 CA ILE A 31 -4.180 -7.776 -6.422 1.00 0.00 C ATOM 442 C ILE A 31 -3.468 -6.455 -6.718 1.00 0.00 C ATOM 443 O ILE A 31 -3.030 -5.691 -5.858 1.00 0.00 O ATOM 444 CB ILE A 31 -5.208 -7.806 -5.276 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.430 -6.874 -5.455 1.00 0.00 C ATOM 446 CG2 ILE A 31 -4.526 -7.661 -3.920 1.00 0.00 C ATOM 447 CD1 ILE A 31 -6.151 -5.371 -5.562 1.00 0.00 C ATOM 0 H ILE A 31 -2.532 -8.589 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.825 -7.965 -7.280 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.658 -8.798 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.963 -7.184 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.104 -7.034 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.277 -7.686 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.822 -8.481 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.990 -6.712 -3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.092 -4.834 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.653 -5.028 -4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.510 -5.180 -6.423 1.00 0.00 H new ATOM 459 N GLY A 32 -3.345 -6.231 -8.006 1.00 0.00 N ATOM 460 CA GLY A 32 -3.083 -4.960 -8.656 1.00 0.00 C ATOM 461 C GLY A 32 -1.603 -4.632 -8.759 1.00 0.00 C ATOM 462 O GLY A 32 -0.852 -4.800 -7.793 1.00 0.00 O ATOM 0 H GLY A 32 -3.432 -6.990 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.515 -4.975 -9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.586 -4.167 -8.104 1.00 0.00 H new ATOM 466 N LEU A 33 -1.192 -4.097 -9.910 1.00 0.00 N ATOM 467 CA LEU A 33 0.143 -3.540 -10.092 1.00 0.00 C ATOM 468 C LEU A 33 0.332 -2.426 -9.062 1.00 0.00 C ATOM 469 O LEU A 33 -0.513 -1.543 -8.924 1.00 0.00 O ATOM 470 CB LEU A 33 0.327 -2.999 -11.525 1.00 0.00 C ATOM 471 CG LEU A 33 1.757 -2.468 -11.766 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.754 -3.595 -12.045 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.832 -1.483 -12.922 1.00 0.00 C ATOM 0 H LEU A 33 -1.779 -4.039 -10.742 1.00 0.00 H new ATOM 0 HA LEU A 33 0.893 -4.317 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.109 -3.791 -12.242 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.391 -2.199 -11.705 1.00 0.00 H new ATOM 0 HG LEU A 33 2.022 -1.959 -10.840 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.745 -3.172 -12.208 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.785 -4.273 -11.192 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.443 -4.144 -12.934 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.861 -1.144 -13.045 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.499 -1.971 -13.838 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.190 -0.627 -12.713 1.00 0.00 H new ATOM 485 N LEU A 34 1.444 -2.462 -8.334 1.00 0.00 N ATOM 486 CA LEU A 34 1.925 -1.319 -7.577 1.00 0.00 C ATOM 487 C LEU A 34 2.791 -0.542 -8.552 1.00 0.00 C ATOM 488 O LEU A 34 3.700 -1.133 -9.136 1.00 0.00 O ATOM 489 CB LEU A 34 2.745 -1.803 -6.374 1.00 0.00 C ATOM 490 CG LEU A 34 1.864 -2.539 -5.347 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.638 -3.693 -4.713 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.318 -1.555 -4.308 1.00 0.00 C ATOM 0 H LEU A 34 2.036 -3.289 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 34 1.117 -0.703 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.538 -2.468 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.228 -0.951 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 34 1.003 -2.974 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.002 -4.203 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.943 -4.396 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.522 -3.304 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.698 -2.091 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.148 -1.079 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.719 -0.794 -4.808 1.00 0.00 H new ATOM 504 N TYR A 35 2.474 0.729 -8.766 1.00 0.00 N ATOM 505 CA TYR A 35 3.116 1.584 -9.748 1.00 0.00 C ATOM 506 C TYR A 35 3.441 2.933 -9.111 1.00 0.00 C ATOM 507 O TYR A 35 3.117 3.165 -7.945 1.00 0.00 O ATOM 508 CB TYR A 35 2.208 1.709 -10.977 1.00 0.00 C ATOM 509 CG TYR A 35 0.821 2.303 -10.769 1.00 0.00 C ATOM 510 CD1 TYR A 35 0.631 3.687 -10.915 1.00 0.00 C ATOM 511 CD2 TYR A 35 -0.306 1.477 -10.570 1.00 0.00 C ATOM 512 CE1 TYR A 35 -0.655 4.248 -10.892 1.00 0.00 C ATOM 513 CE2 TYR A 35 -1.605 2.026 -10.592 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.786 3.414 -10.796 1.00 0.00 C ATOM 515 OH TYR A 35 -3.030 3.939 -10.975 1.00 0.00 O ATOM 0 H TYR A 35 1.739 1.205 -8.243 1.00 0.00 H new ATOM 0 HA TYR A 35 4.059 1.152 -10.083 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.727 2.317 -11.718 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.087 0.715 -11.408 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.489 4.330 -11.047 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.173 0.419 -10.400 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.778 5.320 -10.948 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.463 1.385 -10.453 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.699 3.335 -10.590 1.00 0.00 H new ATOM 525 N ASP A 36 4.100 3.814 -9.862 1.00 0.00 N ATOM 526 CA ASP A 36 4.579 5.085 -9.354 1.00 0.00 C ATOM 527 C ASP A 36 3.430 6.063 -9.119 1.00 0.00 C ATOM 528 O ASP A 36 2.373 6.004 -9.744 1.00 0.00 O ATOM 529 CB ASP A 36 5.636 5.693 -10.278 1.00 0.00 C ATOM 530 CG ASP A 36 5.008 6.367 -11.489 1.00 0.00 C ATOM 531 OD1 ASP A 36 4.580 5.621 -12.401 1.00 0.00 O ATOM 532 OD2 ASP A 36 4.970 7.614 -11.520 1.00 0.00 O ATOM 0 H ASP A 36 4.315 3.658 -10.847 1.00 0.00 H new ATOM 0 HA ASP A 36 5.051 4.891 -8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.228 6.421 -9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.320 4.912 -10.611 1.00 0.00 H new ATOM 537 N GLY A 37 3.627 6.971 -8.175 1.00 0.00 N ATOM 538 CA GLY A 37 2.686 8.019 -7.814 1.00 0.00 C ATOM 539 C GLY A 37 1.379 7.511 -7.190 1.00 0.00 C ATOM 540 O GLY A 37 0.563 8.332 -6.776 1.00 0.00 O ATOM 0 H GLY A 37 4.481 6.998 -7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.169 8.698 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.447 8.599 -8.706 1.00 0.00 H new ATOM 544 N MET A 38 1.157 6.193 -7.089 1.00 0.00 N ATOM 545 CA MET A 38 -0.110 5.565 -6.695 1.00 0.00 C ATOM 546 C MET A 38 -0.583 6.036 -5.307 1.00 0.00 C ATOM 547 O MET A 38 -1.781 6.134 -5.049 1.00 0.00 O ATOM 548 CB MET A 38 0.095 4.039 -6.712 1.00 0.00 C ATOM 549 CG MET A 38 -1.101 3.206 -7.172 1.00 0.00 C ATOM 550 SD MET A 38 -2.582 3.108 -6.129 1.00 0.00 S ATOM 551 CE MET A 38 -1.943 1.904 -4.942 1.00 0.00 C ATOM 0 H MET A 38 1.886 5.508 -7.288 1.00 0.00 H new ATOM 0 HA MET A 38 -0.890 5.856 -7.399 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.941 3.813 -7.362 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.371 3.718 -5.707 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.412 3.591 -8.143 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.747 2.188 -7.331 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.751 1.572 -4.290 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.533 1.048 -5.477 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.159 2.366 -4.342 1.00 0.00 H new ATOM 561 N PHE A 39 0.372 6.328 -4.412 1.00 0.00 N ATOM 562 CA PHE A 39 0.139 6.831 -3.055 1.00 0.00 C ATOM 563 C PHE A 39 0.388 8.335 -2.911 1.00 0.00 C ATOM 564 O PHE A 39 0.143 8.863 -1.831 1.00 0.00 O ATOM 565 CB PHE A 39 1.034 6.070 -2.054 1.00 0.00 C ATOM 566 CG PHE A 39 0.762 4.582 -2.024 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.500 4.127 -1.605 1.00 0.00 C ATOM 568 CD2 PHE A 39 1.720 3.665 -2.493 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.835 2.772 -1.734 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.367 2.314 -2.657 1.00 0.00 C ATOM 571 CZ PHE A 39 0.082 1.873 -2.294 1.00 0.00 C ATOM 0 H PHE A 39 1.363 6.215 -4.623 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.916 6.660 -2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.080 6.237 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.883 6.481 -1.056 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.212 4.821 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.721 3.997 -2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.801 2.421 -1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.083 1.614 -3.062 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.198 0.841 -2.447 1.00 0.00 H new ATOM 581 N SER A 40 0.891 9.016 -3.942 1.00 0.00 N ATOM 582 CA SER A 40 1.465 10.352 -3.821 1.00 0.00 C ATOM 583 C SER A 40 0.477 11.315 -3.156 1.00 0.00 C ATOM 584 O SER A 40 -0.665 11.451 -3.599 1.00 0.00 O ATOM 585 CB SER A 40 1.905 10.843 -5.201 1.00 0.00 C ATOM 586 OG SER A 40 2.909 11.818 -5.062 1.00 0.00 O ATOM 0 H SER A 40 0.910 8.649 -4.894 1.00 0.00 H new ATOM 0 HA SER A 40 2.343 10.312 -3.176 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.277 10.007 -5.793 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.053 11.260 -5.738 1.00 0.00 H new ATOM 0 HG SER A 40 3.189 12.128 -5.949 1.00 0.00 H new ATOM 592 N GLY A 41 0.916 11.953 -2.073 1.00 0.00 N ATOM 593 CA GLY A 41 0.136 12.904 -1.298 1.00 0.00 C ATOM 594 C GLY A 41 -0.452 12.292 -0.031 1.00 0.00 C ATOM 595 O GLY A 41 -1.291 12.917 0.621 1.00 0.00 O ATOM 0 H GLY A 41 1.856 11.815 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.767 13.750 -1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.672 13.294 -1.917 1.00 0.00 H new ATOM 599 N CYS A 42 -0.059 11.071 0.330 1.00 0.00 N ATOM 600 CA CYS A 42 -0.464 10.365 1.536 1.00 0.00 C ATOM 601 C CYS A 42 0.136 10.998 2.800 1.00 0.00 C ATOM 602 O CYS A 42 1.023 10.399 3.401 1.00 0.00 O ATOM 603 CB CYS A 42 -0.023 8.908 1.395 1.00 0.00 C ATOM 604 SG CYS A 42 1.728 8.797 0.907 1.00 0.00 S ATOM 0 H CYS A 42 0.583 10.523 -0.243 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.547 10.428 1.647 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.174 8.386 2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.643 8.407 0.652 1.00 0.00 H new ATOM 0 HG CYS A 42 1.817 8.776 -0.390 1.00 0.00 H new ATOM 610 N THR A 43 -0.357 12.153 3.251 1.00 0.00 N ATOM 611 CA THR A 43 0.263 12.971 4.302 1.00 0.00 C ATOM 612 C THR A 43 0.477 12.288 5.665 1.00 0.00 C ATOM 613 O THR A 43 1.086 12.891 6.556 1.00 0.00 O ATOM 614 CB THR A 43 -0.564 14.250 4.505 1.00 0.00 C ATOM 615 OG1 THR A 43 -1.899 13.917 4.800 1.00 0.00 O ATOM 616 CG2 THR A 43 -0.609 15.150 3.276 1.00 0.00 C ATOM 0 H THR A 43 -1.220 12.558 2.888 1.00 0.00 H new ATOM 0 HA THR A 43 1.268 13.177 3.933 1.00 0.00 H new ATOM 0 HB THR A 43 -0.073 14.784 5.319 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.338 14.678 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.210 16.033 3.493 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.403 15.456 3.012 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.052 14.605 2.442 1.00 0.00 H new ATOM 624 N ALA A 44 -0.047 11.073 5.861 1.00 0.00 N ATOM 625 CA ALA A 44 0.057 10.324 7.098 1.00 0.00 C ATOM 626 C ALA A 44 0.576 8.893 6.905 1.00 0.00 C ATOM 627 O ALA A 44 0.642 8.174 7.896 1.00 0.00 O ATOM 628 CB ALA A 44 -1.322 10.322 7.769 1.00 0.00 C ATOM 0 H ALA A 44 -0.568 10.578 5.137 1.00 0.00 H new ATOM 0 HA ALA A 44 0.797 10.812 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.271 9.764 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.628 11.348 7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.049 9.853 7.106 1.00 0.00 H new ATOM 634 N LEU A 45 0.895 8.423 5.695 1.00 0.00 N ATOM 635 CA LEU A 45 1.225 7.016 5.455 1.00 0.00 C ATOM 636 C LEU A 45 2.615 6.648 5.972 1.00 0.00 C ATOM 637 O LEU A 45 3.605 7.237 5.540 1.00 0.00 O ATOM 638 CB LEU A 45 1.098 6.759 3.955 1.00 0.00 C ATOM 639 CG LEU A 45 1.492 5.364 3.456 1.00 0.00 C ATOM 640 CD1 LEU A 45 0.639 4.275 4.110 1.00 0.00 C ATOM 641 CD2 LEU A 45 1.284 5.351 1.935 1.00 0.00 C ATOM 0 H LEU A 45 0.932 9.005 4.858 1.00 0.00 H new ATOM 0 HA LEU A 45 0.533 6.381 6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.064 6.944 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.711 7.493 3.432 1.00 0.00 H new ATOM 0 HG LEU A 45 2.530 5.157 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.945 3.299 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.775 4.306 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.411 4.443 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.554 4.372 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.238 5.558 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.912 6.114 1.475 1.00 0.00 H new ATOM 653 N GLU A 46 2.700 5.645 6.853 1.00 0.00 N ATOM 654 CA GLU A 46 3.953 5.171 7.447 1.00 0.00 C ATOM 655 C GLU A 46 3.977 3.667 7.741 1.00 0.00 C ATOM 656 O GLU A 46 4.919 3.182 8.367 1.00 0.00 O ATOM 657 CB GLU A 46 4.390 6.010 8.651 1.00 0.00 C ATOM 658 CG GLU A 46 3.236 6.497 9.504 1.00 0.00 C ATOM 659 CD GLU A 46 3.641 7.495 10.591 1.00 0.00 C ATOM 660 OE1 GLU A 46 4.735 8.098 10.492 1.00 0.00 O ATOM 661 OE2 GLU A 46 2.768 7.817 11.430 1.00 0.00 O ATOM 0 H GLU A 46 1.882 5.130 7.179 1.00 0.00 H new ATOM 0 HA GLU A 46 4.704 5.320 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.064 5.418 9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.957 6.871 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.491 6.962 8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.758 5.638 9.974 1.00 0.00 H new ATOM 668 N LYS A 47 2.989 2.888 7.300 1.00 0.00 N ATOM 669 CA LYS A 47 2.964 1.456 7.569 1.00 0.00 C ATOM 670 C LYS A 47 2.341 0.735 6.393 1.00 0.00 C ATOM 671 O LYS A 47 1.234 1.060 5.967 1.00 0.00 O ATOM 672 CB LYS A 47 2.225 1.189 8.898 1.00 0.00 C ATOM 673 CG LYS A 47 3.161 0.646 9.997 1.00 0.00 C ATOM 674 CD LYS A 47 3.093 -0.897 10.040 1.00 0.00 C ATOM 675 CE LYS A 47 4.144 -1.563 10.938 1.00 0.00 C ATOM 676 NZ LYS A 47 3.896 -1.423 12.392 1.00 0.00 N ATOM 0 H LYS A 47 2.197 3.228 6.755 1.00 0.00 H new ATOM 0 HA LYS A 47 3.976 1.069 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.762 2.113 9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.420 0.474 8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.185 0.967 9.805 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.875 1.057 10.965 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.102 -1.193 10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.207 -1.280 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.192 -2.624 10.692 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.121 -1.138 10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.653 -1.901 12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.880 -0.415 12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.980 -1.855 12.631 1.00 0.00 H new ATOM 690 N LEU A 48 3.062 -0.249 5.870 1.00 0.00 N ATOM 691 CA LEU A 48 2.594 -1.168 4.852 1.00 0.00 C ATOM 692 C LEU A 48 2.696 -2.562 5.436 1.00 0.00 C ATOM 693 O LEU A 48 3.704 -2.881 6.061 1.00 0.00 O ATOM 694 CB LEU A 48 3.499 -1.056 3.622 1.00 0.00 C ATOM 695 CG LEU A 48 3.072 -2.009 2.492 1.00 0.00 C ATOM 696 CD1 LEU A 48 2.263 -1.260 1.454 1.00 0.00 C ATOM 697 CD2 LEU A 48 4.290 -2.664 1.853 1.00 0.00 C ATOM 0 H LEU A 48 4.024 -0.432 6.157 1.00 0.00 H new ATOM 0 HA LEU A 48 1.569 -0.946 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.483 -0.030 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.527 -1.275 3.910 1.00 0.00 H new ATOM 0 HG LEU A 48 2.448 -2.795 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.967 -1.945 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.373 -0.839 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.867 -0.456 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.967 -3.334 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.941 -1.895 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.835 -3.233 2.607 1.00 0.00 H new ATOM 709 N ILE A 49 1.708 -3.414 5.179 1.00 0.00 N ATOM 710 CA ILE A 49 1.764 -4.835 5.492 1.00 0.00 C ATOM 711 C ILE A 49 1.376 -5.586 4.220 1.00 0.00 C ATOM 712 O ILE A 49 0.556 -5.098 3.444 1.00 0.00 O ATOM 713 CB ILE A 49 0.857 -5.170 6.702 1.00 0.00 C ATOM 714 CG1 ILE A 49 1.055 -4.214 7.904 1.00 0.00 C ATOM 715 CG2 ILE A 49 1.100 -6.618 7.170 1.00 0.00 C ATOM 716 CD1 ILE A 49 0.044 -3.059 7.939 1.00 0.00 C ATOM 0 H ILE A 49 0.832 -3.130 4.740 1.00 0.00 H new ATOM 0 HA ILE A 49 2.765 -5.140 5.796 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.167 -5.045 6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.975 -4.785 8.829 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.064 -3.803 7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.455 -6.838 8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.874 -7.306 6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.143 -6.735 7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.241 -2.429 8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.139 -2.465 7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.967 -3.462 8.005 1.00 0.00 H new ATOM 728 N LEU A 50 1.955 -6.761 3.998 1.00 0.00 N ATOM 729 CA LEU A 50 1.676 -7.641 2.866 1.00 0.00 C ATOM 730 C LEU A 50 1.218 -8.978 3.438 1.00 0.00 C ATOM 731 O LEU A 50 1.866 -9.476 4.357 1.00 0.00 O ATOM 732 CB LEU A 50 2.951 -7.864 2.018 1.00 0.00 C ATOM 733 CG LEU A 50 3.623 -6.629 1.386 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.698 -7.046 0.368 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.635 -5.731 0.643 1.00 0.00 C ATOM 0 H LEU A 50 2.661 -7.143 4.627 1.00 0.00 H new ATOM 0 HA LEU A 50 0.915 -7.195 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.689 -8.360 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.701 -8.556 1.214 1.00 0.00 H new ATOM 0 HG LEU A 50 4.057 -6.080 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.156 -6.156 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.462 -7.641 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.239 -7.637 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.166 -4.878 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.160 -6.297 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.873 -5.376 1.337 1.00 0.00 H new ATOM 747 N THR A 51 0.169 -9.589 2.884 1.00 0.00 N ATOM 748 CA THR A 51 -0.372 -10.867 3.365 1.00 0.00 C ATOM 749 C THR A 51 -0.124 -11.995 2.349 1.00 0.00 C ATOM 750 O THR A 51 -0.971 -12.863 2.111 1.00 0.00 O ATOM 751 CB THR A 51 -1.844 -10.694 3.791 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.704 -10.478 2.687 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.027 -9.502 4.735 1.00 0.00 C ATOM 0 H THR A 51 -0.335 -9.210 2.082 1.00 0.00 H new ATOM 0 HA THR A 51 0.163 -11.181 4.261 1.00 0.00 H new ATOM 0 HB THR A 51 -2.103 -11.627 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.637 -10.535 2.983 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.078 -9.415 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.427 -9.653 5.632 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.707 -8.589 4.234 1.00 0.00 H new ATOM 761 N GLY A 52 1.008 -11.925 1.640 1.00 0.00 N ATOM 762 CA GLY A 52 1.421 -12.915 0.652 1.00 0.00 C ATOM 763 C GLY A 52 2.812 -13.419 0.974 1.00 0.00 C ATOM 764 O GLY A 52 3.562 -12.763 1.701 1.00 0.00 O ATOM 0 H GLY A 52 1.674 -11.159 1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.717 -13.747 0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.407 -12.474 -0.345 1.00 0.00 H new ATOM 768 N GLU A 53 3.156 -14.569 0.401 1.00 0.00 N ATOM 769 CA GLU A 53 4.200 -15.428 0.942 1.00 0.00 C ATOM 770 C GLU A 53 5.422 -15.529 0.025 1.00 0.00 C ATOM 771 O GLU A 53 6.336 -16.285 0.337 1.00 0.00 O ATOM 772 CB GLU A 53 3.590 -16.804 1.276 1.00 0.00 C ATOM 773 CG GLU A 53 2.587 -16.706 2.440 1.00 0.00 C ATOM 774 CD GLU A 53 2.196 -18.071 3.020 1.00 0.00 C ATOM 775 OE1 GLU A 53 3.023 -18.749 3.677 1.00 0.00 O ATOM 776 OE2 GLU A 53 1.044 -18.501 2.785 1.00 0.00 O ATOM 0 H GLU A 53 2.720 -14.929 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 53 4.583 -14.980 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.089 -17.205 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.385 -17.503 1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.018 -16.093 3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.688 -16.195 2.094 1.00 0.00 H new ATOM 783 N ASP A 54 5.469 -14.795 -1.091 1.00 0.00 N ATOM 784 CA ASP A 54 6.624 -14.787 -2.004 1.00 0.00 C ATOM 785 C ASP A 54 6.684 -13.448 -2.747 1.00 0.00 C ATOM 786 O ASP A 54 5.630 -12.885 -3.045 1.00 0.00 O ATOM 787 CB ASP A 54 6.461 -15.928 -3.027 1.00 0.00 C ATOM 788 CG ASP A 54 7.710 -16.176 -3.878 1.00 0.00 C ATOM 789 OD1 ASP A 54 7.909 -15.452 -4.878 1.00 0.00 O ATOM 790 OD2 ASP A 54 8.497 -17.092 -3.547 1.00 0.00 O ATOM 0 H ASP A 54 4.707 -14.187 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 54 7.543 -14.925 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.206 -16.845 -2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.624 -15.697 -3.685 1.00 0.00 H new ATOM 795 N PRO A 55 7.875 -12.935 -3.096 1.00 0.00 N ATOM 796 CA PRO A 55 8.045 -11.660 -3.789 1.00 0.00 C ATOM 797 C PRO A 55 7.428 -11.634 -5.189 1.00 0.00 C ATOM 798 O PRO A 55 7.017 -10.564 -5.647 1.00 0.00 O ATOM 799 CB PRO A 55 9.558 -11.409 -3.833 1.00 0.00 C ATOM 800 CG PRO A 55 10.178 -12.779 -3.585 1.00 0.00 C ATOM 801 CD PRO A 55 9.162 -13.468 -2.706 1.00 0.00 C ATOM 0 HA PRO A 55 7.514 -10.872 -3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.865 -11.003 -4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.864 -10.691 -3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.338 -13.322 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.147 -12.698 -3.092 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.195 -14.549 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.362 -13.275 -1.652 1.00 0.00 H new ATOM 809 N SER A 56 7.324 -12.787 -5.858 1.00 0.00 N ATOM 810 CA SER A 56 6.612 -12.879 -7.137 1.00 0.00 C ATOM 811 C SER A 56 5.087 -12.781 -6.978 1.00 0.00 C ATOM 812 O SER A 56 4.385 -12.569 -7.967 1.00 0.00 O ATOM 813 CB SER A 56 6.971 -14.179 -7.860 1.00 0.00 C ATOM 814 OG SER A 56 8.269 -14.130 -8.432 1.00 0.00 O ATOM 0 H SER A 56 7.723 -13.669 -5.536 1.00 0.00 H new ATOM 0 HA SER A 56 6.934 -12.024 -7.732 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.916 -15.011 -7.158 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.237 -14.373 -8.643 1.00 0.00 H new ATOM 0 HG SER A 56 8.460 -14.979 -8.882 1.00 0.00 H new ATOM 820 N ALA A 57 4.546 -12.897 -5.759 1.00 0.00 N ATOM 821 CA ALA A 57 3.117 -12.738 -5.510 1.00 0.00 C ATOM 822 C ALA A 57 2.686 -11.258 -5.526 1.00 0.00 C ATOM 823 O ALA A 57 1.545 -10.955 -5.172 1.00 0.00 O ATOM 824 CB ALA A 57 2.749 -13.420 -4.187 1.00 0.00 C ATOM 0 H ALA A 57 5.090 -13.104 -4.921 1.00 0.00 H new ATOM 0 HA ALA A 57 2.571 -13.221 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.682 -13.301 -4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.991 -14.481 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.312 -12.963 -3.373 1.00 0.00 H new ATOM 830 N TYR A 58 3.585 -10.341 -5.897 1.00 0.00 N ATOM 831 CA TYR A 58 3.402 -8.898 -5.941 1.00 0.00 C ATOM 832 C TYR A 58 4.079 -8.339 -7.196 1.00 0.00 C ATOM 833 O TYR A 58 4.661 -9.086 -7.986 1.00 0.00 O ATOM 834 CB TYR A 58 3.992 -8.291 -4.657 1.00 0.00 C ATOM 835 CG TYR A 58 3.101 -8.506 -3.453 1.00 0.00 C ATOM 836 CD1 TYR A 58 2.042 -7.616 -3.185 1.00 0.00 C ATOM 837 CD2 TYR A 58 3.292 -9.634 -2.635 1.00 0.00 C ATOM 838 CE1 TYR A 58 1.196 -7.837 -2.087 1.00 0.00 C ATOM 839 CE2 TYR A 58 2.426 -9.872 -1.557 1.00 0.00 C ATOM 840 CZ TYR A 58 1.385 -8.967 -1.265 1.00 0.00 C ATOM 841 OH TYR A 58 0.567 -9.194 -0.201 1.00 0.00 O ATOM 0 H TYR A 58 4.522 -10.613 -6.194 1.00 0.00 H new ATOM 0 HA TYR A 58 2.344 -8.640 -5.992 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.970 -8.734 -4.465 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.149 -7.222 -4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.881 -6.762 -3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.105 -10.316 -2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.399 -7.141 -1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.558 -10.754 -0.947 1.00 0.00 H new ATOM 0 HH TYR A 58 0.062 -8.379 0.003 1.00 0.00 H new ATOM 851 N SER A 59 3.995 -7.025 -7.395 1.00 0.00 N ATOM 852 CA SER A 59 4.680 -6.247 -8.423 1.00 0.00 C ATOM 853 C SER A 59 5.164 -4.933 -7.801 1.00 0.00 C ATOM 854 O SER A 59 4.870 -4.687 -6.628 1.00 0.00 O ATOM 855 CB SER A 59 3.706 -5.921 -9.555 1.00 0.00 C ATOM 856 OG SER A 59 2.907 -7.017 -9.947 1.00 0.00 O ATOM 0 H SER A 59 3.408 -6.438 -6.803 1.00 0.00 H new ATOM 0 HA SER A 59 5.521 -6.819 -8.816 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.057 -5.103 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.270 -5.567 -10.418 1.00 0.00 H new ATOM 0 HG SER A 59 2.307 -6.742 -10.671 1.00 0.00 H new ATOM 862 N ALA A 60 5.837 -4.055 -8.561 1.00 0.00 N ATOM 863 CA ALA A 60 6.247 -2.749 -8.028 1.00 0.00 C ATOM 864 C ALA A 60 6.596 -1.662 -9.039 1.00 0.00 C ATOM 865 O ALA A 60 6.981 -0.560 -8.638 1.00 0.00 O ATOM 866 CB ALA A 60 7.428 -2.989 -7.095 1.00 0.00 C ATOM 0 H ALA A 60 6.105 -4.222 -9.531 1.00 0.00 H new ATOM 0 HA ALA A 60 5.368 -2.344 -7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.762 -2.039 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.123 -3.653 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.245 -3.447 -7.653 1.00 0.00 H new ATOM 872 N GLY A 61 6.463 -1.969 -10.322 1.00 0.00 N ATOM 873 CA GLY A 61 6.843 -1.106 -11.422 1.00 0.00 C ATOM 874 C GLY A 61 8.303 -0.730 -11.240 1.00 0.00 C ATOM 875 O GLY A 61 9.192 -1.568 -11.406 1.00 0.00 O ATOM 0 H GLY A 61 6.073 -2.859 -10.632 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.696 -1.615 -12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.219 -0.213 -11.439 1.00 0.00 H new ATOM 879 N ASP A 62 8.543 0.520 -10.877 1.00 0.00 N ATOM 880 CA ASP A 62 9.800 1.022 -10.314 1.00 0.00 C ATOM 881 C ASP A 62 9.511 2.205 -9.391 1.00 0.00 C ATOM 882 O ASP A 62 10.169 3.252 -9.405 1.00 0.00 O ATOM 883 CB ASP A 62 10.776 1.383 -11.431 1.00 0.00 C ATOM 884 CG ASP A 62 12.237 1.377 -10.984 1.00 0.00 C ATOM 885 OD1 ASP A 62 12.550 0.879 -9.880 1.00 0.00 O ATOM 886 OD2 ASP A 62 13.104 1.655 -11.846 1.00 0.00 O ATOM 0 H ASP A 62 7.838 1.251 -10.969 1.00 0.00 H new ATOM 0 HA ASP A 62 10.275 0.243 -9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.652 0.679 -12.254 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.526 2.371 -11.817 1.00 0.00 H new ATOM 891 N GLY A 63 8.415 2.070 -8.653 1.00 0.00 N ATOM 892 CA GLY A 63 7.792 3.176 -7.944 1.00 0.00 C ATOM 893 C GLY A 63 6.780 2.753 -6.891 1.00 0.00 C ATOM 894 O GLY A 63 5.875 3.532 -6.616 1.00 0.00 O ATOM 0 H GLY A 63 7.931 1.180 -8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.570 3.770 -7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.297 3.823 -8.668 1.00 0.00 H new ATOM 898 N LEU A 64 6.917 1.567 -6.281 1.00 0.00 N ATOM 899 CA LEU A 64 5.940 1.025 -5.321 1.00 0.00 C ATOM 900 C LEU A 64 5.489 2.074 -4.301 1.00 0.00 C ATOM 901 O LEU A 64 4.302 2.161 -3.992 1.00 0.00 O ATOM 902 CB LEU A 64 6.518 -0.229 -4.628 1.00 0.00 C ATOM 903 CG LEU A 64 5.524 -0.965 -3.687 1.00 0.00 C ATOM 904 CD1 LEU A 64 5.998 -2.386 -3.370 1.00 0.00 C ATOM 905 CD2 LEU A 64 5.225 -0.273 -2.350 1.00 0.00 C ATOM 0 H LEU A 64 7.714 0.951 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 64 5.048 0.735 -5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.858 -0.927 -5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.395 0.063 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 64 4.600 -0.961 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.279 -2.871 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.083 -2.956 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.970 -2.344 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.521 -0.876 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.150 -0.160 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.792 0.710 -2.538 1.00 0.00 H new ATOM 917 N ARG A 65 6.426 2.876 -3.792 1.00 0.00 N ATOM 918 CA ARG A 65 6.195 3.873 -2.756 1.00 0.00 C ATOM 919 C ARG A 65 6.491 5.294 -3.248 1.00 0.00 C ATOM 920 O ARG A 65 6.889 6.131 -2.444 1.00 0.00 O ATOM 921 CB ARG A 65 7.011 3.473 -1.519 1.00 0.00 C ATOM 922 CG ARG A 65 8.531 3.525 -1.738 1.00 0.00 C ATOM 923 CD ARG A 65 9.175 4.430 -0.693 1.00 0.00 C ATOM 924 NE ARG A 65 10.570 4.724 -1.025 1.00 0.00 N ATOM 925 CZ ARG A 65 10.984 5.679 -1.863 1.00 0.00 C ATOM 926 NH1 ARG A 65 10.149 6.621 -2.294 1.00 0.00 N ATOM 927 NH2 ARG A 65 12.238 5.657 -2.287 1.00 0.00 N ATOM 0 H ARG A 65 7.397 2.845 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 65 5.139 3.895 -2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.749 4.134 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.730 2.463 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.951 2.522 -1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.751 3.897 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.613 5.361 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.126 3.951 0.285 1.00 0.00 H new ATOM 0 HE ARG A 65 11.287 4.151 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.177 6.621 -1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.481 7.343 -2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.869 4.920 -1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.573 6.377 -2.927 1.00 0.00 H new ATOM 941 N ASP A 66 6.390 5.564 -4.550 1.00 0.00 N ATOM 942 CA ASP A 66 6.692 6.890 -5.100 1.00 0.00 C ATOM 943 C ASP A 66 5.796 7.947 -4.450 1.00 0.00 C ATOM 944 O ASP A 66 4.622 7.686 -4.174 1.00 0.00 O ATOM 945 CB ASP A 66 6.525 6.917 -6.627 1.00 0.00 C ATOM 946 CG ASP A 66 7.836 7.125 -7.382 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.841 6.458 -7.040 1.00 0.00 O ATOM 948 OD2 ASP A 66 7.836 7.993 -8.283 1.00 0.00 O ATOM 0 H ASP A 66 6.100 4.879 -5.248 1.00 0.00 H new ATOM 0 HA ASP A 66 7.734 7.117 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.074 5.979 -6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.831 7.714 -6.894 1.00 0.00 H new ATOM 953 N GLY A 67 6.353 9.131 -4.183 1.00 0.00 N ATOM 954 CA GLY A 67 5.691 10.206 -3.450 1.00 0.00 C ATOM 955 C GLY A 67 5.773 10.014 -1.932 1.00 0.00 C ATOM 956 O GLY A 67 5.812 10.993 -1.184 1.00 0.00 O ATOM 0 H GLY A 67 7.299 9.371 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.147 11.159 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.645 10.257 -3.751 1.00 0.00 H new ATOM 960 N ALA A 68 5.825 8.767 -1.473 1.00 0.00 N ATOM 961 CA ALA A 68 5.810 8.364 -0.079 1.00 0.00 C ATOM 962 C ALA A 68 7.186 7.859 0.339 1.00 0.00 C ATOM 963 O ALA A 68 8.139 7.838 -0.454 1.00 0.00 O ATOM 964 CB ALA A 68 4.738 7.275 0.066 1.00 0.00 C ATOM 0 H ALA A 68 5.882 7.968 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 68 5.573 9.205 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.694 6.943 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.768 7.677 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.989 6.430 -0.575 1.00 0.00 H new ATOM 970 N ASP A 69 7.300 7.455 1.600 1.00 0.00 N ATOM 971 CA ASP A 69 8.411 6.681 2.119 1.00 0.00 C ATOM 972 C ASP A 69 7.962 6.029 3.423 1.00 0.00 C ATOM 973 O ASP A 69 7.744 6.713 4.425 1.00 0.00 O ATOM 974 CB ASP A 69 9.653 7.549 2.313 1.00 0.00 C ATOM 975 CG ASP A 69 10.851 6.691 2.728 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.927 5.508 2.329 1.00 0.00 O ATOM 977 OD2 ASP A 69 11.811 7.227 3.328 1.00 0.00 O ATOM 0 H ASP A 69 6.597 7.667 2.308 1.00 0.00 H new ATOM 0 HA ASP A 69 8.694 5.908 1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.881 8.079 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.460 8.305 3.074 1.00 0.00 H new ATOM 982 N PHE A 70 7.736 4.715 3.379 1.00 0.00 N ATOM 983 CA PHE A 70 7.236 3.911 4.485 1.00 0.00 C ATOM 984 C PHE A 70 7.984 2.570 4.532 1.00 0.00 C ATOM 985 O PHE A 70 8.660 2.174 3.573 1.00 0.00 O ATOM 986 CB PHE A 70 5.713 3.722 4.319 1.00 0.00 C ATOM 987 CG PHE A 70 5.279 3.145 2.975 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.513 1.786 2.692 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.698 3.962 1.980 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.218 1.263 1.426 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.354 3.425 0.722 1.00 0.00 C ATOM 992 CZ PHE A 70 4.628 2.075 0.444 1.00 0.00 C ATOM 0 H PHE A 70 7.904 4.164 2.537 1.00 0.00 H new ATOM 0 HA PHE A 70 7.414 4.414 5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.355 3.066 5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.225 4.687 4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.923 1.142 3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.516 5.007 2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.445 0.231 1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.883 4.048 -0.024 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.385 1.662 -0.524 1.00 0.00 H new ATOM 1002 N LEU A 71 7.818 1.847 5.642 1.00 0.00 N ATOM 1003 CA LEU A 71 8.387 0.525 5.870 1.00 0.00 C ATOM 1004 C LEU A 71 7.405 -0.529 5.376 1.00 0.00 C ATOM 1005 O LEU A 71 6.191 -0.401 5.537 1.00 0.00 O ATOM 1006 CB LEU A 71 8.695 0.283 7.363 1.00 0.00 C ATOM 1007 CG LEU A 71 9.887 1.088 7.924 1.00 0.00 C ATOM 1008 CD1 LEU A 71 9.980 0.910 9.441 1.00 0.00 C ATOM 1009 CD2 LEU A 71 11.229 0.665 7.318 1.00 0.00 C ATOM 0 H LEU A 71 7.264 2.181 6.431 1.00 0.00 H new ATOM 0 HA LEU A 71 9.327 0.459 5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.806 0.526 7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.892 -0.779 7.510 1.00 0.00 H new ATOM 0 HG LEU A 71 9.699 2.129 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.825 1.483 9.823 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.060 1.265 9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.121 -0.145 9.676 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.029 1.266 7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.409 -0.388 7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.205 0.816 6.239 1.00 0.00 H new ATOM 1021 N ILE A 72 7.963 -1.579 4.786 1.00 0.00 N ATOM 1022 CA ILE A 72 7.281 -2.764 4.304 1.00 0.00 C ATOM 1023 C ILE A 72 7.273 -3.742 5.471 1.00 0.00 C ATOM 1024 O ILE A 72 8.290 -3.905 6.149 1.00 0.00 O ATOM 1025 CB ILE A 72 8.023 -3.328 3.078 1.00 0.00 C ATOM 1026 CG1 ILE A 72 8.165 -2.269 1.957 1.00 0.00 C ATOM 1027 CG2 ILE A 72 7.361 -4.576 2.462 1.00 0.00 C ATOM 1028 CD1 ILE A 72 9.491 -2.482 1.232 1.00 0.00 C ATOM 0 H ILE A 72 8.969 -1.624 4.623 1.00 0.00 H new ATOM 0 HA ILE A 72 6.261 -2.558 3.978 1.00 0.00 H new ATOM 0 HB ILE A 72 9.000 -3.614 3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.335 -2.351 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.125 -1.266 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.944 -4.911 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.321 -5.371 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.349 -4.329 2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.597 -1.739 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.313 -2.378 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.511 -3.481 0.796 1.00 0.00 H new ATOM 1040 N CYS A 73 6.148 -4.422 5.683 1.00 0.00 N ATOM 1041 CA CYS A 73 6.044 -5.542 6.603 1.00 0.00 C ATOM 1042 C CYS A 73 5.591 -6.760 5.801 1.00 0.00 C ATOM 1043 O CYS A 73 4.676 -6.639 4.983 1.00 0.00 O ATOM 1044 CB CYS A 73 5.075 -5.214 7.744 1.00 0.00 C ATOM 1045 SG CYS A 73 5.501 -3.621 8.500 1.00 0.00 S ATOM 0 H CYS A 73 5.271 -4.203 5.210 1.00 0.00 H new ATOM 0 HA CYS A 73 7.007 -5.752 7.068 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.054 -5.182 7.364 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.110 -6.002 8.497 1.00 0.00 H new ATOM 0 HG CYS A 73 4.950 -2.658 7.823 1.00 0.00 H new ATOM 1051 N VAL A 74 6.200 -7.922 6.027 1.00 0.00 N ATOM 1052 CA VAL A 74 5.816 -9.199 5.411 1.00 0.00 C ATOM 1053 C VAL A 74 5.693 -10.242 6.523 1.00 0.00 C ATOM 1054 O VAL A 74 6.260 -10.024 7.596 1.00 0.00 O ATOM 1055 CB VAL A 74 6.843 -9.636 4.339 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.878 -8.662 3.157 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.256 -9.857 4.888 1.00 0.00 C ATOM 0 H VAL A 74 6.996 -8.008 6.660 1.00 0.00 H new ATOM 0 HA VAL A 74 4.860 -9.092 4.898 1.00 0.00 H new ATOM 0 HB VAL A 74 6.490 -10.606 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.611 -9.003 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.893 -8.620 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.155 -7.669 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.918 -10.161 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.624 -8.931 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.233 -10.637 5.649 1.00 0.00 H new ATOM 1067 N PRO A 75 5.002 -11.373 6.309 1.00 0.00 N ATOM 1068 CA PRO A 75 4.904 -12.376 7.353 1.00 0.00 C ATOM 1069 C PRO A 75 6.277 -12.989 7.635 1.00 0.00 C ATOM 1070 O PRO A 75 7.093 -13.143 6.719 1.00 0.00 O ATOM 1071 CB PRO A 75 3.906 -13.415 6.842 1.00 0.00 C ATOM 1072 CG PRO A 75 3.919 -13.240 5.325 1.00 0.00 C ATOM 1073 CD PRO A 75 4.231 -11.763 5.136 1.00 0.00 C ATOM 0 HA PRO A 75 4.565 -11.953 8.298 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.202 -14.424 7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.911 -13.246 7.253 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.673 -13.872 4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.959 -13.506 4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.799 -11.596 4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.316 -11.176 5.055 1.00 0.00 H new ATOM 1081 N GLU A 76 6.516 -13.375 8.890 1.00 0.00 N ATOM 1082 CA GLU A 76 7.787 -13.928 9.352 1.00 0.00 C ATOM 1083 C GLU A 76 8.290 -15.071 8.463 1.00 0.00 C ATOM 1084 O GLU A 76 9.496 -15.214 8.247 1.00 0.00 O ATOM 1085 CB GLU A 76 7.712 -14.383 10.821 1.00 0.00 C ATOM 1086 CG GLU A 76 6.630 -15.442 11.091 1.00 0.00 C ATOM 1087 CD GLU A 76 6.747 -16.123 12.453 1.00 0.00 C ATOM 1088 OE1 GLU A 76 7.875 -16.499 12.865 1.00 0.00 O ATOM 1089 OE2 GLU A 76 5.704 -16.368 13.092 1.00 0.00 O ATOM 0 H GLU A 76 5.815 -13.310 9.628 1.00 0.00 H new ATOM 0 HA GLU A 76 8.511 -13.116 9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.681 -14.785 11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.521 -13.514 11.451 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.650 -14.971 11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.679 -16.202 10.312 1.00 0.00 H new ATOM 1096 N GLU A 77 7.384 -15.907 7.962 1.00 0.00 N ATOM 1097 CA GLU A 77 7.739 -17.133 7.285 1.00 0.00 C ATOM 1098 C GLU A 77 8.249 -16.836 5.869 1.00 0.00 C ATOM 1099 O GLU A 77 9.182 -17.495 5.402 1.00 0.00 O ATOM 1100 CB GLU A 77 6.520 -18.063 7.306 1.00 0.00 C ATOM 1101 CG GLU A 77 6.908 -19.538 7.426 1.00 0.00 C ATOM 1102 CD GLU A 77 6.624 -20.374 6.177 1.00 0.00 C ATOM 1103 OE1 GLU A 77 6.935 -19.941 5.043 1.00 0.00 O ATOM 1104 OE2 GLU A 77 6.226 -21.551 6.354 1.00 0.00 O ATOM 0 H GLU A 77 6.379 -15.744 8.019 1.00 0.00 H new ATOM 0 HA GLU A 77 8.559 -17.638 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.875 -17.792 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.940 -17.917 6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.971 -19.603 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.372 -19.974 8.269 1.00 0.00 H new ATOM 1111 N ALA A 78 7.729 -15.779 5.236 1.00 0.00 N ATOM 1112 CA ALA A 78 8.166 -15.287 3.933 1.00 0.00 C ATOM 1113 C ALA A 78 9.332 -14.295 4.046 1.00 0.00 C ATOM 1114 O ALA A 78 9.859 -13.847 3.029 1.00 0.00 O ATOM 1115 CB ALA A 78 6.983 -14.597 3.262 1.00 0.00 C ATOM 0 H ALA A 78 6.968 -15.227 5.633 1.00 0.00 H new ATOM 0 HA ALA A 78 8.518 -16.136 3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.287 -14.221 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.168 -15.310 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.647 -13.766 3.882 1.00 0.00 H new ATOM 1121 N LEU A 79 9.724 -13.909 5.263 1.00 0.00 N ATOM 1122 CA LEU A 79 10.667 -12.823 5.508 1.00 0.00 C ATOM 1123 C LEU A 79 11.994 -13.039 4.783 1.00 0.00 C ATOM 1124 O LEU A 79 12.582 -12.091 4.276 1.00 0.00 O ATOM 1125 CB LEU A 79 10.878 -12.682 7.019 1.00 0.00 C ATOM 1126 CG LEU A 79 11.636 -11.416 7.459 1.00 0.00 C ATOM 1127 CD1 LEU A 79 10.857 -10.124 7.193 1.00 0.00 C ATOM 1128 CD2 LEU A 79 11.892 -11.507 8.963 1.00 0.00 C ATOM 0 H LEU A 79 9.387 -14.352 6.118 1.00 0.00 H new ATOM 0 HA LEU A 79 10.248 -11.900 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.904 -12.692 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.423 -13.555 7.377 1.00 0.00 H new ATOM 0 HG LEU A 79 12.558 -11.374 6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.446 -9.269 7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.656 -10.033 6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.914 -10.149 7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.429 -10.618 9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.941 -11.575 9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.489 -12.393 9.177 1.00 0.00 H new ATOM 1140 N ASP A 80 12.478 -14.275 4.715 1.00 0.00 N ATOM 1141 CA ASP A 80 13.675 -14.601 3.936 1.00 0.00 C ATOM 1142 C ASP A 80 13.408 -14.493 2.424 1.00 0.00 C ATOM 1143 O ASP A 80 14.161 -13.838 1.703 1.00 0.00 O ATOM 1144 CB ASP A 80 14.171 -15.986 4.351 1.00 0.00 C ATOM 1145 CG ASP A 80 15.569 -16.302 3.842 1.00 0.00 C ATOM 1146 OD1 ASP A 80 15.779 -16.245 2.613 1.00 0.00 O ATOM 1147 OD2 ASP A 80 16.400 -16.780 4.652 1.00 0.00 O ATOM 0 H ASP A 80 12.059 -15.074 5.192 1.00 0.00 H new ATOM 0 HA ASP A 80 14.462 -13.877 4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.163 -16.056 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.477 -16.740 3.978 1.00 0.00 H new ATOM 1152 N ARG A 81 12.300 -15.075 1.944 1.00 0.00 N ATOM 1153 CA ARG A 81 11.897 -15.139 0.533 1.00 0.00 C ATOM 1154 C ARG A 81 11.973 -13.777 -0.143 1.00 0.00 C ATOM 1155 O ARG A 81 12.581 -13.669 -1.204 1.00 0.00 O ATOM 1156 CB ARG A 81 10.467 -15.704 0.401 1.00 0.00 C ATOM 1157 CG ARG A 81 10.401 -17.095 -0.234 1.00 0.00 C ATOM 1158 CD ARG A 81 8.934 -17.534 -0.254 1.00 0.00 C ATOM 1159 NE ARG A 81 8.770 -18.969 -0.527 1.00 0.00 N ATOM 1160 CZ ARG A 81 8.420 -19.897 0.373 1.00 0.00 C ATOM 1161 NH1 ARG A 81 7.986 -19.553 1.584 1.00 0.00 N ATOM 1162 NH2 ARG A 81 8.508 -21.180 0.046 1.00 0.00 N ATOM 0 H ARG A 81 11.629 -15.536 2.559 1.00 0.00 H new ATOM 0 HA ARG A 81 12.599 -15.805 0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.012 -15.746 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.869 -15.015 -0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.806 -17.072 -1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.003 -17.803 0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.476 -17.297 0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.399 -16.962 -1.012 1.00 0.00 H new ATOM 0 HE ARG A 81 8.937 -19.285 -1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.915 -18.568 1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.724 -20.274 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.839 -21.449 -0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.245 -21.898 0.721 1.00 0.00 H new ATOM 1176 N TYR A 82 11.333 -12.755 0.428 1.00 0.00 N ATOM 1177 CA TYR A 82 11.382 -11.419 -0.147 1.00 0.00 C ATOM 1178 C TYR A 82 12.806 -10.860 -0.071 1.00 0.00 C ATOM 1179 O TYR A 82 13.268 -10.258 -1.042 1.00 0.00 O ATOM 1180 CB TYR A 82 10.413 -10.483 0.577 1.00 0.00 C ATOM 1181 CG TYR A 82 8.932 -10.706 0.347 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.216 -11.544 1.219 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.242 -9.981 -0.645 1.00 0.00 C ATOM 1184 CE1 TYR A 82 6.823 -11.660 1.116 1.00 0.00 C ATOM 1185 CE2 TYR A 82 6.841 -10.075 -0.741 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.131 -10.916 0.143 1.00 0.00 C ATOM 1187 OH TYR A 82 4.779 -10.983 0.099 1.00 0.00 O ATOM 0 H TYR A 82 10.780 -12.830 1.282 1.00 0.00 H new ATOM 0 HA TYR A 82 11.083 -11.486 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.604 -10.561 1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 82 10.650 -9.460 0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.745 -12.104 1.976 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.789 -9.353 -1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.283 -12.318 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.310 -9.505 -1.489 1.00 0.00 H new ATOM 0 HH TYR A 82 4.454 -11.534 0.842 1.00 0.00 H new ATOM 1197 N ARG A 83 13.516 -11.040 1.056 1.00 0.00 N ATOM 1198 CA ARG A 83 14.848 -10.476 1.261 1.00 0.00 C ATOM 1199 C ARG A 83 15.822 -10.923 0.175 1.00 0.00 C ATOM 1200 O ARG A 83 16.525 -10.082 -0.387 1.00 0.00 O ATOM 1201 CB ARG A 83 15.392 -10.829 2.657 1.00 0.00 C ATOM 1202 CG ARG A 83 15.330 -9.625 3.619 1.00 0.00 C ATOM 1203 CD ARG A 83 16.407 -9.710 4.707 1.00 0.00 C ATOM 1204 NE ARG A 83 17.756 -9.740 4.101 1.00 0.00 N ATOM 1205 CZ ARG A 83 18.402 -8.688 3.586 1.00 0.00 C ATOM 1206 NH1 ARG A 83 18.146 -7.457 4.016 1.00 0.00 N ATOM 1207 NH2 ARG A 83 19.300 -8.901 2.632 1.00 0.00 N ATOM 0 H ARG A 83 13.175 -11.584 1.849 1.00 0.00 H new ATOM 0 HA ARG A 83 14.752 -9.392 1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.816 -11.656 3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.423 -11.171 2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.456 -8.701 3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.345 -9.582 4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.322 -8.855 5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.253 -10.605 5.310 1.00 0.00 H new ATOM 0 HE ARG A 83 18.235 -10.640 4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.450 -7.306 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.645 -6.663 3.616 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.484 -9.850 2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.806 -8.115 2.223 1.00 0.00 H new ATOM 1221 N ARG A 84 15.873 -12.224 -0.114 1.00 0.00 N ATOM 1222 CA ARG A 84 16.846 -12.812 -1.035 1.00 0.00 C ATOM 1223 C ARG A 84 16.640 -12.422 -2.503 1.00 0.00 C ATOM 1224 O ARG A 84 17.494 -12.761 -3.330 1.00 0.00 O ATOM 1225 CB ARG A 84 16.844 -14.338 -0.854 1.00 0.00 C ATOM 1226 CG ARG A 84 15.533 -14.976 -1.318 1.00 0.00 C ATOM 1227 CD ARG A 84 15.609 -16.496 -1.303 1.00 0.00 C ATOM 1228 NE ARG A 84 14.590 -17.061 -2.204 1.00 0.00 N ATOM 1229 CZ ARG A 84 14.115 -18.309 -2.207 1.00 0.00 C ATOM 1230 NH1 ARG A 84 14.532 -19.207 -1.325 1.00 0.00 N ATOM 1231 NH2 ARG A 84 13.207 -18.645 -3.108 1.00 0.00 N ATOM 0 H ARG A 84 15.232 -12.907 0.290 1.00 0.00 H new ATOM 0 HA ARG A 84 17.823 -12.401 -0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.674 -14.769 -1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.010 -14.577 0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.719 -14.646 -0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.299 -14.634 -2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.602 -16.822 -1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.455 -16.866 -0.289 1.00 0.00 H new ATOM 0 HE ARG A 84 14.204 -16.428 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.229 -18.950 -0.626 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.156 -20.155 -1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.881 -17.955 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.833 -19.594 -3.126 1.00 0.00 H new ATOM 1245 N ASP A 85 15.513 -11.807 -2.863 1.00 0.00 N ATOM 1246 CA ASP A 85 15.129 -11.614 -4.262 1.00 0.00 C ATOM 1247 C ASP A 85 16.009 -10.577 -4.935 1.00 0.00 C ATOM 1248 O ASP A 85 16.259 -9.519 -4.356 1.00 0.00 O ATOM 1249 CB ASP A 85 13.692 -11.113 -4.379 1.00 0.00 C ATOM 1250 CG ASP A 85 13.177 -11.368 -5.791 1.00 0.00 C ATOM 1251 OD1 ASP A 85 12.714 -12.494 -6.063 1.00 0.00 O ATOM 1252 OD2 ASP A 85 13.279 -10.468 -6.654 1.00 0.00 O ATOM 0 H ASP A 85 14.842 -11.429 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 85 15.239 -12.586 -4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.058 -11.621 -3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.647 -10.048 -4.151 1.00 0.00 H new ATOM 1257 N TYR A 86 16.432 -10.829 -6.174 1.00 0.00 N ATOM 1258 CA TYR A 86 17.287 -9.899 -6.892 1.00 0.00 C ATOM 1259 C TYR A 86 16.593 -8.540 -7.094 1.00 0.00 C ATOM 1260 O TYR A 86 17.267 -7.509 -7.004 1.00 0.00 O ATOM 1261 CB TYR A 86 17.698 -10.536 -8.228 1.00 0.00 C ATOM 1262 CG TYR A 86 18.786 -9.789 -8.972 1.00 0.00 C ATOM 1263 CD1 TYR A 86 18.473 -8.597 -9.652 1.00 0.00 C ATOM 1264 CD2 TYR A 86 20.114 -10.257 -8.961 1.00 0.00 C ATOM 1265 CE1 TYR A 86 19.483 -7.846 -10.268 1.00 0.00 C ATOM 1266 CE2 TYR A 86 21.132 -9.509 -9.580 1.00 0.00 C ATOM 1267 CZ TYR A 86 20.820 -8.290 -10.226 1.00 0.00 C ATOM 1268 OH TYR A 86 21.799 -7.511 -10.756 1.00 0.00 O ATOM 0 H TYR A 86 16.193 -11.672 -6.697 1.00 0.00 H new ATOM 0 HA TYR A 86 18.183 -9.700 -6.304 1.00 0.00 H new ATOM 0 HB2 TYR A 86 18.037 -11.555 -8.041 1.00 0.00 H new ATOM 0 HB3 TYR A 86 16.819 -10.605 -8.869 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.448 -8.259 -9.699 1.00 0.00 H new ATOM 0 HD2 TYR A 86 20.352 -11.192 -8.476 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.236 -6.925 -10.776 1.00 0.00 H new ATOM 0 HE2 TYR A 86 22.151 -9.865 -9.562 1.00 0.00 H new ATOM 0 HH TYR A 86 22.666 -7.956 -10.648 1.00 0.00 H new ATOM 1278 N PHE A 87 15.281 -8.522 -7.364 1.00 0.00 N ATOM 1279 CA PHE A 87 14.496 -7.306 -7.559 1.00 0.00 C ATOM 1280 C PHE A 87 14.292 -6.640 -6.202 1.00 0.00 C ATOM 1281 O PHE A 87 14.808 -5.545 -5.972 1.00 0.00 O ATOM 1282 CB PHE A 87 13.152 -7.628 -8.246 1.00 0.00 C ATOM 1283 CG PHE A 87 12.305 -6.433 -8.666 1.00 0.00 C ATOM 1284 CD1 PHE A 87 11.714 -5.577 -7.710 1.00 0.00 C ATOM 1285 CD2 PHE A 87 12.050 -6.209 -10.033 1.00 0.00 C ATOM 1286 CE1 PHE A 87 10.954 -4.467 -8.116 1.00 0.00 C ATOM 1287 CE2 PHE A 87 11.222 -5.147 -10.435 1.00 0.00 C ATOM 1288 CZ PHE A 87 10.695 -4.260 -9.481 1.00 0.00 C ATOM 0 H PHE A 87 14.728 -9.374 -7.454 1.00 0.00 H new ATOM 0 HA PHE A 87 15.027 -6.618 -8.217 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.356 -8.231 -9.131 1.00 0.00 H new ATOM 0 HB3 PHE A 87 12.561 -8.245 -7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 87 11.848 -5.778 -6.657 1.00 0.00 H new ATOM 0 HD2 PHE A 87 12.493 -6.856 -10.776 1.00 0.00 H new ATOM 0 HE1 PHE A 87 10.570 -3.775 -7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 87 10.990 -5.012 -11.481 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.092 -3.421 -9.796 1.00 0.00 H new ATOM 1298 N TRP A 88 13.534 -7.282 -5.299 1.00 0.00 N ATOM 1299 CA TRP A 88 13.111 -6.655 -4.043 1.00 0.00 C ATOM 1300 C TRP A 88 14.301 -6.206 -3.190 1.00 0.00 C ATOM 1301 O TRP A 88 14.138 -5.235 -2.451 1.00 0.00 O ATOM 1302 CB TRP A 88 12.134 -7.535 -3.249 1.00 0.00 C ATOM 1303 CG TRP A 88 10.696 -7.483 -3.683 1.00 0.00 C ATOM 1304 CD1 TRP A 88 10.119 -8.216 -4.661 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.620 -6.674 -3.121 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.760 -7.958 -4.712 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.402 -7.004 -3.784 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.558 -5.687 -2.115 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 7.184 -6.394 -3.450 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 8.335 -5.081 -1.758 1.00 0.00 C ATOM 1311 CH2 TRP A 88 7.149 -5.438 -2.423 1.00 0.00 C ATOM 0 H TRP A 88 13.202 -8.239 -5.419 1.00 0.00 H new ATOM 0 HA TRP A 88 12.564 -5.754 -4.320 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.474 -8.569 -3.312 1.00 0.00 H new ATOM 0 HB3 TRP A 88 12.186 -7.245 -2.199 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.642 -8.903 -5.309 1.00 0.00 H new ATOM 0 HE1 TRP A 88 8.109 -8.414 -5.352 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.464 -5.390 -1.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.280 -6.658 -3.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.310 -4.341 -0.972 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.213 -4.978 -2.144 1.00 0.00 H new ATOM 1322 N GLN A 89 15.495 -6.795 -3.370 1.00 0.00 N ATOM 1323 CA GLN A 89 16.723 -6.365 -2.715 1.00 0.00 C ATOM 1324 C GLN A 89 16.956 -4.858 -2.710 1.00 0.00 C ATOM 1325 O GLN A 89 17.545 -4.338 -1.762 1.00 0.00 O ATOM 1326 CB GLN A 89 17.946 -7.016 -3.384 1.00 0.00 C ATOM 1327 CG GLN A 89 18.533 -8.103 -2.477 1.00 0.00 C ATOM 1328 CD GLN A 89 20.018 -8.359 -2.717 1.00 0.00 C ATOM 1329 OE1 GLN A 89 20.818 -8.334 -1.785 1.00 0.00 O ATOM 1330 NE2 GLN A 89 20.442 -8.558 -3.956 1.00 0.00 N ATOM 0 H GLN A 89 15.627 -7.596 -3.987 1.00 0.00 H new ATOM 0 HA GLN A 89 16.600 -6.682 -1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.658 -7.449 -4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.702 -6.258 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.386 -7.815 -1.436 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.983 -9.031 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.774 -8.578 -4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.436 -8.691 -4.139 1.00 0.00 H new ATOM 1339 N THR A 90 16.559 -4.160 -3.769 1.00 0.00 N ATOM 1340 CA THR A 90 16.719 -2.716 -3.857 1.00 0.00 C ATOM 1341 C THR A 90 16.035 -2.031 -2.655 1.00 0.00 C ATOM 1342 O THR A 90 16.625 -1.156 -2.020 1.00 0.00 O ATOM 1343 CB THR A 90 16.227 -2.256 -5.242 1.00 0.00 C ATOM 1344 OG1 THR A 90 16.705 -0.960 -5.520 1.00 0.00 O ATOM 1345 CG2 THR A 90 14.711 -2.317 -5.404 1.00 0.00 C ATOM 0 H THR A 90 16.119 -4.580 -4.588 1.00 0.00 H new ATOM 0 HA THR A 90 17.765 -2.417 -3.785 1.00 0.00 H new ATOM 0 HB THR A 90 16.634 -2.962 -5.966 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.388 -0.677 -6.403 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.438 -1.979 -6.404 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.371 -3.343 -5.263 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.240 -1.673 -4.662 1.00 0.00 H new ATOM 1353 N TYR A 91 14.849 -2.502 -2.263 1.00 0.00 N ATOM 1354 CA TYR A 91 14.052 -1.975 -1.166 1.00 0.00 C ATOM 1355 C TYR A 91 14.391 -2.642 0.180 1.00 0.00 C ATOM 1356 O TYR A 91 13.671 -2.441 1.160 1.00 0.00 O ATOM 1357 CB TYR A 91 12.559 -2.127 -1.505 1.00 0.00 C ATOM 1358 CG TYR A 91 12.046 -1.191 -2.586 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.736 0.146 -2.261 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.755 -1.676 -3.877 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.170 0.996 -3.227 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.175 -0.831 -4.843 1.00 0.00 C ATOM 1363 CZ TYR A 91 10.917 0.522 -4.532 1.00 0.00 C ATOM 1364 OH TYR A 91 10.411 1.366 -5.471 1.00 0.00 O ATOM 0 H TYR A 91 14.404 -3.295 -2.725 1.00 0.00 H new ATOM 0 HA TYR A 91 14.291 -0.918 -1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.376 -3.155 -1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.978 -1.963 -0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.934 0.518 -1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.978 -2.703 -4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.928 2.016 -2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.928 -1.218 -5.821 1.00 0.00 H new ATOM 0 HH TYR A 91 10.296 0.884 -6.316 1.00 0.00 H new ATOM 1374 N ALA A 92 15.458 -3.446 0.284 1.00 0.00 N ATOM 1375 CA ALA A 92 15.665 -4.301 1.448 1.00 0.00 C ATOM 1376 C ALA A 92 15.899 -3.500 2.722 1.00 0.00 C ATOM 1377 O ALA A 92 15.625 -3.999 3.816 1.00 0.00 O ATOM 1378 CB ALA A 92 16.794 -5.305 1.209 1.00 0.00 C ATOM 0 H ALA A 92 16.187 -3.518 -0.426 1.00 0.00 H new ATOM 0 HA ALA A 92 14.742 -4.862 1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.922 -5.926 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.545 -5.936 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.721 -4.769 1.005 1.00 0.00 H new ATOM 1384 N ALA A 93 16.333 -2.242 2.595 1.00 0.00 N ATOM 1385 CA ALA A 93 16.539 -1.373 3.736 1.00 0.00 C ATOM 1386 C ALA A 93 15.243 -1.079 4.512 1.00 0.00 C ATOM 1387 O ALA A 93 15.315 -0.718 5.687 1.00 0.00 O ATOM 1388 CB ALA A 93 17.215 -0.073 3.291 1.00 0.00 C ATOM 0 H ALA A 93 16.548 -1.808 1.698 1.00 0.00 H new ATOM 0 HA ALA A 93 17.193 -1.904 4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.365 0.573 4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.179 -0.301 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.582 0.436 2.564 1.00 0.00 H new ATOM 1394 N TRP A 94 14.065 -1.280 3.905 1.00 0.00 N ATOM 1395 CA TRP A 94 12.783 -0.848 4.471 1.00 0.00 C ATOM 1396 C TRP A 94 11.897 -2.032 4.850 1.00 0.00 C ATOM 1397 O TRP A 94 10.747 -1.864 5.240 1.00 0.00 O ATOM 1398 CB TRP A 94 12.107 0.126 3.498 1.00 0.00 C ATOM 1399 CG TRP A 94 12.940 1.344 3.251 1.00 0.00 C ATOM 1400 CD1 TRP A 94 13.058 2.397 4.091 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.870 1.599 2.157 1.00 0.00 C ATOM 1402 NE1 TRP A 94 14.024 3.255 3.612 1.00 0.00 N ATOM 1403 CE2 TRP A 94 14.559 2.816 2.421 1.00 0.00 C ATOM 1404 CE3 TRP A 94 14.191 0.925 0.962 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 15.535 3.321 1.553 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 15.192 1.405 0.095 1.00 0.00 C ATOM 1407 CH2 TRP A 94 15.864 2.603 0.393 1.00 0.00 C ATOM 0 H TRP A 94 13.976 -1.749 3.004 1.00 0.00 H new ATOM 0 HA TRP A 94 12.961 -0.320 5.408 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.917 -0.381 2.552 1.00 0.00 H new ATOM 0 HB3 TRP A 94 11.139 0.425 3.899 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.485 2.543 4.995 1.00 0.00 H new ATOM 0 HE1 TRP A 94 14.309 4.113 4.083 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.658 0.021 0.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 16.030 4.255 1.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 15.443 0.853 -0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 94 16.633 2.971 -0.270 1.00 0.00 H new ATOM 1418 N ILE A 95 12.428 -3.244 4.726 1.00 0.00 N ATOM 1419 CA ILE A 95 11.729 -4.497 4.949 1.00 0.00 C ATOM 1420 C ILE A 95 11.813 -4.865 6.431 1.00 0.00 C ATOM 1421 O ILE A 95 12.901 -4.847 7.012 1.00 0.00 O ATOM 1422 CB ILE A 95 12.379 -5.524 3.996 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.874 -5.237 2.563 1.00 0.00 C ATOM 1424 CG2 ILE A 95 12.164 -6.985 4.386 1.00 0.00 C ATOM 1425 CD1 ILE A 95 12.430 -6.170 1.486 1.00 0.00 C ATOM 0 H ILE A 95 13.402 -3.382 4.455 1.00 0.00 H new ATOM 0 HA ILE A 95 10.663 -4.450 4.728 1.00 0.00 H new ATOM 0 HB ILE A 95 13.459 -5.395 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.786 -5.305 2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.131 -4.210 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.656 -7.632 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.586 -7.163 5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 95 11.096 -7.204 4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.019 -5.891 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.516 -6.086 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 95 12.151 -7.198 1.716 1.00 0.00 H new ATOM 1437 N GLN A 96 10.692 -5.268 7.030 1.00 0.00 N ATOM 1438 CA GLN A 96 10.573 -5.830 8.377 1.00 0.00 C ATOM 1439 C GLN A 96 9.501 -6.938 8.435 1.00 0.00 C ATOM 1440 O GLN A 96 8.776 -7.128 7.452 1.00 0.00 O ATOM 1441 CB GLN A 96 10.359 -4.715 9.420 1.00 0.00 C ATOM 1442 CG GLN A 96 9.466 -3.521 9.054 1.00 0.00 C ATOM 1443 CD GLN A 96 9.199 -2.603 10.251 1.00 0.00 C ATOM 1444 OE1 GLN A 96 8.193 -1.896 10.293 1.00 0.00 O ATOM 1445 NE2 GLN A 96 10.051 -2.584 11.264 1.00 0.00 N ATOM 0 H GLN A 96 9.789 -5.207 6.560 1.00 0.00 H new ATOM 0 HA GLN A 96 11.514 -6.316 8.634 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.942 -5.176 10.315 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.340 -4.323 9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.940 -2.947 8.258 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.517 -3.887 8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.888 -3.167 11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.871 -1.987 12.071 1.00 0.00 H new ATOM 1454 N PRO A 97 9.443 -7.751 9.509 1.00 0.00 N ATOM 1455 CA PRO A 97 8.327 -8.667 9.757 1.00 0.00 C ATOM 1456 C PRO A 97 6.998 -7.927 10.010 1.00 0.00 C ATOM 1457 O PRO A 97 6.960 -6.693 10.060 1.00 0.00 O ATOM 1458 CB PRO A 97 8.759 -9.510 10.966 1.00 0.00 C ATOM 1459 CG PRO A 97 9.718 -8.590 11.714 1.00 0.00 C ATOM 1460 CD PRO A 97 10.430 -7.870 10.576 1.00 0.00 C ATOM 0 HA PRO A 97 8.125 -9.288 8.884 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.907 -9.791 11.585 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.247 -10.434 10.657 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.189 -7.896 12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.413 -9.149 12.340 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.784 -6.889 10.893 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.303 -8.431 10.242 1.00 0.00 H new ATOM 1468 N MET A 98 5.910 -8.688 10.160 1.00 0.00 N ATOM 1469 CA MET A 98 4.573 -8.219 10.518 1.00 0.00 C ATOM 1470 C MET A 98 4.310 -8.513 12.002 1.00 0.00 C ATOM 1471 O MET A 98 5.071 -9.258 12.626 1.00 0.00 O ATOM 1472 CB MET A 98 3.525 -8.856 9.578 1.00 0.00 C ATOM 1473 CG MET A 98 2.962 -10.222 9.992 1.00 0.00 C ATOM 1474 SD MET A 98 1.378 -10.695 9.232 1.00 0.00 S ATOM 1475 CE MET A 98 1.655 -10.371 7.472 1.00 0.00 C ATOM 0 H MET A 98 5.942 -9.699 10.028 1.00 0.00 H new ATOM 0 HA MET A 98 4.497 -7.140 10.386 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.691 -8.161 9.479 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.973 -8.959 8.590 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.701 -10.986 9.750 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.839 -10.229 11.075 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.201 -11.166 6.880 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.205 -9.416 7.203 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.726 -10.336 7.273 1.00 0.00 H new ATOM 1485 N GLU A 99 3.218 -7.995 12.563 1.00 0.00 N ATOM 1486 CA GLU A 99 2.815 -8.264 13.940 1.00 0.00 C ATOM 1487 C GLU A 99 1.669 -9.287 13.980 1.00 0.00 C ATOM 1488 O GLU A 99 1.261 -9.840 12.953 1.00 0.00 O ATOM 1489 CB GLU A 99 2.539 -6.944 14.685 1.00 0.00 C ATOM 1490 CG GLU A 99 1.475 -6.035 14.057 1.00 0.00 C ATOM 1491 CD GLU A 99 1.387 -4.680 14.769 1.00 0.00 C ATOM 1492 OE1 GLU A 99 0.744 -4.574 15.840 1.00 0.00 O ATOM 1493 OE2 GLU A 99 2.033 -3.694 14.334 1.00 0.00 O ATOM 0 H GLU A 99 2.582 -7.370 12.067 1.00 0.00 H new ATOM 0 HA GLU A 99 3.632 -8.736 14.486 1.00 0.00 H new ATOM 0 HB2 GLU A 99 2.233 -7.181 15.704 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.472 -6.385 14.754 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.708 -5.877 13.004 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.505 -6.530 14.098 1.00 0.00 H new ATOM 1500 N GLN A 100 1.176 -9.580 15.180 1.00 0.00 N ATOM 1501 CA GLN A 100 -0.114 -10.200 15.429 1.00 0.00 C ATOM 1502 C GLN A 100 -0.834 -9.111 16.185 1.00 0.00 C ATOM 1503 O GLN A 100 -1.815 -8.568 15.642 1.00 0.00 O ATOM 1504 CB GLN A 100 -0.005 -11.475 16.289 1.00 0.00 C ATOM 1505 CG GLN A 100 0.715 -12.665 15.643 1.00 0.00 C ATOM 1506 CD GLN A 100 1.144 -13.666 16.718 1.00 0.00 C ATOM 1507 OE1 GLN A 100 2.174 -13.476 17.368 1.00 0.00 O ATOM 1508 NE2 GLN A 100 0.352 -14.683 17.008 1.00 0.00 N ATOM 0 H GLN A 100 1.689 -9.382 16.039 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.609 -10.531 14.516 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.513 -11.222 17.214 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.011 -11.791 16.563 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.056 -13.152 14.924 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.588 -12.316 15.091 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.499 -14.837 16.468 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.592 -15.314 17.772 1.00 0.00 H new TER 1517 GLN A 100