USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 681 hydrogens (55 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 ALA N :NH3+ -110:sc= 0.113 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -147:sc= -0.138 (180deg=-0.861) USER MOD Single : A 10 SER OG : rot -37:sc= -0.134 USER MOD Single : A 14 LYS NZ :NH3+ -118:sc= -0.106 (180deg=-2.06!) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= -2.83 (180deg=-2.93) USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0724 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0265 (180deg=-0.32) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 46 MET CE :methyl -154:sc= -0.293 (180deg=-1.65!) USER MOD Single : A 47 ASN : amide:sc= -2.74! X(o=-2.7!,f=-2.8) USER MOD Single : A 55 ASN : amide:sc= -8.49! C(o=-8.5!,f=-1.9!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.683 K(o=-0.68,f=-3.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -114:sc= 0.69! USER MOD Single : A 68 GLN : amide:sc= -6.05! K(o=-6!,f=-2) USER MOD Single : A 69 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot -48:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.204 -3.569 7.160 1.00 1.00 N ATOM 2 CA ALA A 1 -10.272 -3.626 5.672 1.00 1.00 C ATOM 3 C ALA A 1 -10.462 -5.074 5.231 1.00 1.00 C ATOM 4 O ALA A 1 -10.255 -6.003 6.011 1.00 1.00 O ATOM 5 CB ALA A 1 -8.977 -3.065 5.083 1.00 1.00 C ATOM 0 H1 ALA A 1 -11.063 -3.115 7.530 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.131 -4.534 7.541 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.370 -3.019 7.449 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.113 -3.030 5.317 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.025 -3.106 3.995 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.850 -2.031 5.402 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -8.132 -3.658 5.432 1.00 1.00 H new ATOM 13 N LYS A 2 -10.852 -5.259 3.976 1.00 1.00 N ATOM 14 CA LYS A 2 -11.067 -6.599 3.438 1.00 1.00 C ATOM 15 C LYS A 2 -9.732 -7.273 3.143 1.00 1.00 C ATOM 16 O LYS A 2 -8.748 -6.611 2.818 1.00 1.00 O ATOM 17 CB LYS A 2 -11.896 -6.518 2.157 1.00 1.00 C ATOM 18 CG LYS A 2 -13.231 -5.830 2.449 1.00 1.00 C ATOM 19 CD LYS A 2 -14.184 -6.822 3.119 1.00 1.00 C ATOM 20 CE LYS A 2 -15.543 -6.157 3.335 1.00 1.00 C ATOM 21 NZ LYS A 2 -16.487 -7.139 3.941 1.00 1.00 N ATOM 0 H LYS A 2 -11.026 -4.503 3.313 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.604 -7.190 4.180 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.350 -5.964 1.393 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -12.070 -7.519 1.761 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.073 -4.968 3.097 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.670 -5.457 1.523 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -14.297 -7.711 2.498 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.772 -7.150 4.073 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.436 -5.290 3.987 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.938 -5.795 2.386 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -17.412 -6.686 4.088 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -16.597 -7.953 3.304 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -16.111 -7.463 4.855 1.00 1.00 H new ATOM 35 N LYS A 3 -9.707 -8.597 3.256 1.00 1.00 N ATOM 36 CA LYS A 3 -8.486 -9.351 3.008 1.00 1.00 C ATOM 37 C LYS A 3 -8.023 -9.169 1.568 1.00 1.00 C ATOM 38 O LYS A 3 -6.826 -9.068 1.298 1.00 1.00 O ATOM 39 CB LYS A 3 -8.724 -10.837 3.286 1.00 1.00 C ATOM 40 CG LYS A 3 -9.032 -11.038 4.771 1.00 1.00 C ATOM 41 CD LYS A 3 -9.066 -12.535 5.087 1.00 1.00 C ATOM 42 CE LYS A 3 -10.235 -13.187 4.349 1.00 1.00 C ATOM 43 NZ LYS A 3 -10.524 -14.519 4.954 1.00 1.00 N ATOM 0 H LYS A 3 -10.513 -9.166 3.516 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.710 -8.976 3.675 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.553 -11.203 2.680 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.844 -11.415 3.005 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.275 -10.544 5.380 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.990 -10.581 5.020 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -8.128 -13.002 4.788 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -9.170 -12.688 6.161 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -11.117 -12.550 4.408 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -9.994 -13.300 3.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.319 -14.963 4.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.683 -15.126 4.876 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.771 -14.398 5.957 1.00 1.00 H new ATOM 57 N GLU A 4 -8.979 -9.130 0.646 1.00 1.00 N ATOM 58 CA GLU A 4 -8.655 -8.973 -0.767 1.00 1.00 C ATOM 59 C GLU A 4 -7.861 -7.693 -0.997 1.00 1.00 C ATOM 60 O GLU A 4 -6.850 -7.697 -1.698 1.00 1.00 O ATOM 61 CB GLU A 4 -9.944 -8.935 -1.594 1.00 1.00 C ATOM 62 CG GLU A 4 -10.704 -7.640 -1.295 1.00 1.00 C ATOM 63 CD GLU A 4 -12.129 -7.738 -1.825 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.412 -8.689 -2.535 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.917 -6.860 -1.514 1.00 1.00 O ATOM 0 H GLU A 4 -9.976 -9.204 0.849 1.00 1.00 H new ATOM 0 HA GLU A 4 -8.047 -9.822 -1.079 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.709 -8.994 -2.657 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.567 -9.798 -1.357 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.719 -7.457 -0.221 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.193 -6.794 -1.755 1.00 1.00 H new ATOM 72 N THR A 5 -8.328 -6.598 -0.409 1.00 1.00 N ATOM 73 CA THR A 5 -7.659 -5.312 -0.558 1.00 1.00 C ATOM 74 C THR A 5 -6.317 -5.319 0.168 1.00 1.00 C ATOM 75 O THR A 5 -5.322 -4.805 -0.339 1.00 1.00 O ATOM 76 CB THR A 5 -8.539 -4.196 0.000 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.884 -4.406 -0.406 1.00 1.00 O ATOM 78 CG2 THR A 5 -8.054 -2.846 -0.540 1.00 1.00 C ATOM 0 H THR A 5 -9.165 -6.575 0.174 1.00 1.00 H new ATOM 0 HA THR A 5 -7.484 -5.136 -1.619 1.00 1.00 H new ATOM 0 HB THR A 5 -8.480 -4.198 1.088 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.450 -3.691 -0.047 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.682 -2.048 -0.142 1.00 1.00 H new ATOM 0 HG22 THR A 5 -7.021 -2.682 -0.234 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.114 -2.847 -1.628 1.00 1.00 H new ATOM 86 N ILE A 6 -6.303 -5.903 1.363 1.00 1.00 N ATOM 87 CA ILE A 6 -5.079 -5.965 2.154 1.00 1.00 C ATOM 88 C ILE A 6 -4.000 -6.745 1.410 1.00 1.00 C ATOM 89 O ILE A 6 -2.842 -6.325 1.364 1.00 1.00 O ATOM 90 CB ILE A 6 -5.363 -6.642 3.499 1.00 1.00 C ATOM 91 CG1 ILE A 6 -6.232 -5.722 4.359 1.00 1.00 C ATOM 92 CG2 ILE A 6 -4.043 -6.921 4.221 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.755 -6.498 5.569 1.00 1.00 C ATOM 0 H ILE A 6 -7.116 -6.336 1.801 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.725 -4.948 2.324 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.887 -7.582 3.328 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.652 -4.860 4.689 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -7.066 -5.338 3.771 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -4.246 -7.403 5.178 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.425 -7.577 3.608 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.516 -5.982 4.392 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.374 -5.843 6.182 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.350 -7.345 5.228 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.914 -6.860 6.160 1.00 1.00 H new ATOM 105 N ASP A 7 -4.385 -7.873 0.830 1.00 1.00 N ATOM 106 CA ASP A 7 -3.441 -8.700 0.082 1.00 1.00 C ATOM 107 C ASP A 7 -2.892 -7.923 -1.112 1.00 1.00 C ATOM 108 O ASP A 7 -1.724 -8.071 -1.475 1.00 1.00 O ATOM 109 CB ASP A 7 -4.133 -9.972 -0.407 1.00 1.00 C ATOM 110 CG ASP A 7 -4.346 -10.928 0.761 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.711 -10.734 1.786 1.00 1.00 O ATOM 112 OD2 ASP A 7 -5.140 -11.843 0.616 1.00 1.00 O ATOM 0 H ASP A 7 -5.337 -8.237 0.861 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.616 -8.971 0.741 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -5.091 -9.723 -0.864 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -3.529 -10.453 -1.176 1.00 1.00 H new ATOM 117 N LYS A 8 -3.742 -7.107 -1.726 1.00 1.00 N ATOM 118 CA LYS A 8 -3.324 -6.309 -2.870 1.00 1.00 C ATOM 119 C LYS A 8 -2.319 -5.244 -2.454 1.00 1.00 C ATOM 120 O LYS A 8 -1.281 -5.075 -3.090 1.00 1.00 O ATOM 121 CB LYS A 8 -4.544 -5.635 -3.506 1.00 1.00 C ATOM 122 CG LYS A 8 -5.371 -6.680 -4.260 1.00 1.00 C ATOM 123 CD LYS A 8 -4.832 -6.829 -5.685 1.00 1.00 C ATOM 124 CE LYS A 8 -5.518 -5.810 -6.600 1.00 1.00 C ATOM 125 NZ LYS A 8 -6.966 -6.143 -6.713 1.00 1.00 N ATOM 0 H LYS A 8 -4.717 -6.982 -1.453 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.849 -6.973 -3.592 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -5.153 -5.160 -2.736 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.223 -4.848 -4.189 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.326 -7.638 -3.741 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.419 -6.380 -4.286 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.753 -6.674 -5.695 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -5.012 -7.840 -6.050 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -5.395 -4.804 -6.199 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.053 -5.819 -7.586 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -7.308 -5.886 -7.661 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -7.100 -7.163 -6.562 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -7.501 -5.613 -5.996 1.00 1.00 H new ATOM 139 N VAL A 9 -2.629 -4.535 -1.372 1.00 1.00 N ATOM 140 CA VAL A 9 -1.747 -3.480 -0.886 1.00 1.00 C ATOM 141 C VAL A 9 -0.382 -4.052 -0.522 1.00 1.00 C ATOM 142 O VAL A 9 0.652 -3.509 -0.913 1.00 1.00 O ATOM 143 CB VAL A 9 -2.365 -2.813 0.344 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.399 -1.761 0.894 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.683 -2.142 -0.047 1.00 1.00 C ATOM 0 H VAL A 9 -3.476 -4.670 -0.820 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.621 -2.741 -1.677 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.555 -3.566 1.109 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.839 -1.286 1.770 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.461 -2.240 1.174 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -1.208 -1.007 0.130 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -4.123 -1.667 0.830 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.495 -1.389 -0.812 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.371 -2.892 -0.437 1.00 1.00 H new ATOM 155 N SER A 10 -0.383 -5.152 0.220 1.00 1.00 N ATOM 156 CA SER A 10 0.861 -5.794 0.621 1.00 1.00 C ATOM 157 C SER A 10 1.614 -6.310 -0.606 1.00 1.00 C ATOM 158 O SER A 10 2.843 -6.338 -0.625 1.00 1.00 O ATOM 159 CB SER A 10 0.570 -6.962 1.565 1.00 1.00 C ATOM 160 OG SER A 10 -0.053 -8.013 0.842 1.00 1.00 O ATOM 0 H SER A 10 -1.227 -5.616 0.555 1.00 1.00 H new ATOM 0 HA SER A 10 1.478 -5.057 1.135 1.00 1.00 H new ATOM 0 HB2 SER A 10 1.496 -7.317 2.017 1.00 1.00 H new ATOM 0 HB3 SER A 10 -0.077 -6.633 2.379 1.00 1.00 H new ATOM 0 HG SER A 10 -0.659 -7.634 0.171 1.00 1.00 H new ATOM 166 N ASP A 11 0.863 -6.720 -1.624 1.00 1.00 N ATOM 167 CA ASP A 11 1.469 -7.247 -2.840 1.00 1.00 C ATOM 168 C ASP A 11 2.283 -6.168 -3.548 1.00 1.00 C ATOM 169 O ASP A 11 3.340 -6.446 -4.111 1.00 1.00 O ATOM 170 CB ASP A 11 0.378 -7.763 -3.782 1.00 1.00 C ATOM 171 CG ASP A 11 0.003 -9.196 -3.413 1.00 1.00 C ATOM 172 OD1 ASP A 11 0.644 -9.747 -2.532 1.00 1.00 O ATOM 173 OD2 ASP A 11 -0.919 -9.719 -4.012 1.00 1.00 O ATOM 0 H ASP A 11 -0.157 -6.698 -1.631 1.00 1.00 H new ATOM 0 HA ASP A 11 2.135 -8.066 -2.566 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.501 -7.121 -3.720 1.00 1.00 H new ATOM 0 HB3 ASP A 11 0.729 -7.724 -4.813 1.00 1.00 H new ATOM 178 N ILE A 12 1.785 -4.938 -3.508 1.00 1.00 N ATOM 179 CA ILE A 12 2.475 -3.830 -4.150 1.00 1.00 C ATOM 180 C ILE A 12 3.894 -3.694 -3.608 1.00 1.00 C ATOM 181 O ILE A 12 4.837 -3.494 -4.369 1.00 1.00 O ATOM 182 CB ILE A 12 1.705 -2.524 -3.915 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.726 -2.286 -5.067 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.682 -1.351 -3.823 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.422 -3.291 -4.985 1.00 1.00 C ATOM 0 H ILE A 12 0.914 -4.686 -3.042 1.00 1.00 H new ATOM 0 HA ILE A 12 2.527 -4.031 -5.220 1.00 1.00 H new ATOM 0 HB ILE A 12 1.151 -2.603 -2.980 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.336 -1.269 -5.021 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.242 -2.386 -6.022 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.127 -0.428 -3.656 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.371 -1.515 -2.994 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.245 -1.273 -4.753 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -1.117 -3.118 -5.807 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.025 -4.304 -5.053 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.945 -3.169 -4.036 1.00 1.00 H new ATOM 197 N VAL A 13 4.027 -3.779 -2.292 1.00 1.00 N ATOM 198 CA VAL A 13 5.331 -3.642 -1.660 1.00 1.00 C ATOM 199 C VAL A 13 6.283 -4.730 -2.141 1.00 1.00 C ATOM 200 O VAL A 13 7.441 -4.458 -2.460 1.00 1.00 O ATOM 201 CB VAL A 13 5.183 -3.730 -0.136 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.552 -3.541 0.522 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.228 -2.637 0.349 1.00 1.00 C ATOM 0 H VAL A 13 3.255 -3.941 -1.646 1.00 1.00 H new ATOM 0 HA VAL A 13 5.743 -2.671 -1.934 1.00 1.00 H new ATOM 0 HB VAL A 13 4.782 -4.707 0.134 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.447 -3.604 1.605 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.232 -4.320 0.178 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.954 -2.564 0.252 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.123 -2.700 1.432 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.627 -1.659 0.079 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.253 -2.772 -0.118 1.00 1.00 H new ATOM 213 N LYS A 14 5.789 -5.961 -2.190 1.00 1.00 N ATOM 214 CA LYS A 14 6.612 -7.084 -2.619 1.00 1.00 C ATOM 215 C LYS A 14 7.076 -6.901 -4.054 1.00 1.00 C ATOM 216 O LYS A 14 8.211 -7.232 -4.398 1.00 1.00 O ATOM 217 CB LYS A 14 5.814 -8.384 -2.501 1.00 1.00 C ATOM 218 CG LYS A 14 5.285 -8.536 -1.071 1.00 1.00 C ATOM 219 CD LYS A 14 5.103 -10.021 -0.742 1.00 1.00 C ATOM 220 CE LYS A 14 5.880 -10.360 0.533 1.00 1.00 C ATOM 221 NZ LYS A 14 5.095 -9.924 1.721 1.00 1.00 N ATOM 0 H LYS A 14 4.831 -6.206 -1.940 1.00 1.00 H new ATOM 0 HA LYS A 14 7.490 -7.131 -1.975 1.00 1.00 H new ATOM 0 HB2 LYS A 14 4.984 -8.378 -3.208 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.445 -9.234 -2.758 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.980 -8.080 -0.366 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.335 -8.012 -0.967 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.045 -10.248 -0.607 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.457 -10.634 -1.571 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.070 -11.432 0.582 1.00 1.00 H new ATOM 0 HE3 LYS A 14 6.851 -9.865 0.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 5.631 -9.203 2.246 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 4.188 -9.522 1.409 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 4.917 -10.742 2.339 1.00 1.00 H new ATOM 235 N GLU A 15 6.191 -6.375 -4.893 1.00 1.00 N ATOM 236 CA GLU A 15 6.516 -6.164 -6.299 1.00 1.00 C ATOM 237 C GLU A 15 7.694 -5.215 -6.447 1.00 1.00 C ATOM 238 O GLU A 15 8.349 -5.179 -7.490 1.00 1.00 O ATOM 239 CB GLU A 15 5.300 -5.598 -7.037 1.00 1.00 C ATOM 240 CG GLU A 15 4.225 -6.679 -7.163 1.00 1.00 C ATOM 241 CD GLU A 15 2.959 -6.087 -7.771 1.00 1.00 C ATOM 242 OE1 GLU A 15 2.964 -4.903 -8.068 1.00 1.00 O ATOM 243 OE2 GLU A 15 1.999 -6.824 -7.929 1.00 1.00 O ATOM 0 H GLU A 15 5.249 -6.088 -4.627 1.00 1.00 H new ATOM 0 HA GLU A 15 6.790 -7.125 -6.734 1.00 1.00 H new ATOM 0 HB2 GLU A 15 4.903 -4.738 -6.498 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.594 -5.246 -8.026 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.590 -7.496 -7.786 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.005 -7.100 -6.182 1.00 1.00 H new ATOM 250 N LYS A 16 7.961 -4.445 -5.400 1.00 1.00 N ATOM 251 CA LYS A 16 9.061 -3.486 -5.426 1.00 1.00 C ATOM 252 C LYS A 16 10.391 -4.209 -5.591 1.00 1.00 C ATOM 253 O LYS A 16 11.267 -3.762 -6.334 1.00 1.00 O ATOM 254 CB LYS A 16 9.076 -2.676 -4.129 1.00 1.00 C ATOM 255 CG LYS A 16 7.698 -2.055 -3.900 1.00 1.00 C ATOM 256 CD LYS A 16 7.487 -0.894 -4.873 1.00 1.00 C ATOM 257 CE LYS A 16 8.319 0.306 -4.422 1.00 1.00 C ATOM 258 NZ LYS A 16 7.771 1.549 -5.034 1.00 1.00 N ATOM 0 H LYS A 16 7.435 -4.464 -4.526 1.00 1.00 H new ATOM 0 HA LYS A 16 8.916 -2.814 -6.272 1.00 1.00 H new ATOM 0 HB2 LYS A 16 9.341 -3.319 -3.289 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.834 -1.895 -4.184 1.00 1.00 H new ATOM 0 HG2 LYS A 16 6.922 -2.807 -4.042 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.614 -1.701 -2.873 1.00 1.00 H new ATOM 0 HD2 LYS A 16 7.776 -1.193 -5.881 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.431 -0.625 -4.911 1.00 1.00 H new ATOM 0 HE2 LYS A 16 8.303 0.385 -3.335 1.00 1.00 H new ATOM 0 HE3 LYS A 16 9.360 0.171 -4.716 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 8.421 2.340 -4.854 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.666 1.414 -6.060 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.843 1.762 -4.616 1.00 1.00 H new ATOM 272 N LEU A 17 10.544 -5.331 -4.891 1.00 1.00 N ATOM 273 CA LEU A 17 11.774 -6.109 -4.966 1.00 1.00 C ATOM 274 C LEU A 17 11.471 -7.561 -5.322 1.00 1.00 C ATOM 275 O LEU A 17 12.268 -8.458 -5.044 1.00 1.00 O ATOM 276 CB LEU A 17 12.515 -6.054 -3.631 1.00 1.00 C ATOM 277 CG LEU A 17 11.588 -6.541 -2.513 1.00 1.00 C ATOM 278 CD1 LEU A 17 12.425 -6.944 -1.296 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.621 -5.421 -2.122 1.00 1.00 C ATOM 0 H LEU A 17 9.834 -5.719 -4.269 1.00 1.00 H new ATOM 0 HA LEU A 17 12.402 -5.678 -5.746 1.00 1.00 H new ATOM 0 HB2 LEU A 17 13.409 -6.676 -3.673 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.844 -5.035 -3.427 1.00 1.00 H new ATOM 0 HG LEU A 17 11.019 -7.402 -2.864 1.00 1.00 H new ATOM 0 HD11 LEU A 17 11.766 -7.291 -0.500 1.00 1.00 H new ATOM 0 HD12 LEU A 17 13.110 -7.745 -1.575 1.00 1.00 H new ATOM 0 HD13 LEU A 17 12.996 -6.084 -0.946 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.963 -5.770 -1.327 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.187 -4.557 -1.772 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.024 -5.137 -2.989 1.00 1.00 H new ATOM 291 N ALA A 18 10.313 -7.786 -5.930 1.00 1.00 N ATOM 292 CA ALA A 18 9.917 -9.133 -6.325 1.00 1.00 C ATOM 293 C ALA A 18 9.932 -10.072 -5.130 1.00 1.00 C ATOM 294 O ALA A 18 10.909 -10.785 -4.896 1.00 1.00 O ATOM 295 CB ALA A 18 10.873 -9.661 -7.400 1.00 1.00 C ATOM 0 H ALA A 18 9.635 -7.059 -6.159 1.00 1.00 H new ATOM 0 HA ALA A 18 8.903 -9.090 -6.723 1.00 1.00 H new ATOM 0 HB1 ALA A 18 10.573 -10.667 -7.691 1.00 1.00 H new ATOM 0 HB2 ALA A 18 10.839 -9.006 -8.270 1.00 1.00 H new ATOM 0 HB3 ALA A 18 11.888 -9.686 -7.004 1.00 1.00 H new ATOM 301 N LEU A 19 8.843 -10.070 -4.366 1.00 1.00 N ATOM 302 CA LEU A 19 8.736 -10.931 -3.196 1.00 1.00 C ATOM 303 C LEU A 19 7.424 -11.711 -3.223 1.00 1.00 C ATOM 304 O LEU A 19 6.717 -11.723 -4.227 1.00 1.00 O ATOM 305 CB LEU A 19 8.807 -10.094 -1.919 1.00 1.00 C ATOM 306 CG LEU A 19 10.059 -10.481 -1.120 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.304 -10.273 -1.989 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.154 -9.611 0.133 1.00 1.00 C ATOM 0 H LEU A 19 8.026 -9.484 -4.537 1.00 1.00 H new ATOM 0 HA LEU A 19 9.567 -11.636 -3.212 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.836 -9.033 -2.168 1.00 1.00 H new ATOM 0 HB3 LEU A 19 7.914 -10.256 -1.316 1.00 1.00 H new ATOM 0 HG LEU A 19 9.995 -11.529 -0.827 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.193 -10.548 -1.422 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.234 -10.897 -2.880 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.371 -9.226 -2.284 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.043 -9.886 0.700 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.218 -8.562 -0.156 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.268 -9.764 0.750 1.00 1.00 H new ATOM 320 N GLY A 20 7.101 -12.353 -2.100 1.00 1.00 N ATOM 321 CA GLY A 20 5.872 -13.128 -2.004 1.00 1.00 C ATOM 322 C GLY A 20 6.126 -14.596 -2.320 1.00 1.00 C ATOM 323 O GLY A 20 5.200 -15.405 -2.346 1.00 1.00 O ATOM 0 H GLY A 20 7.670 -12.350 -1.253 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.457 -13.035 -1.001 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.130 -12.727 -2.694 1.00 1.00 H new ATOM 327 N ALA A 21 7.389 -14.935 -2.556 1.00 1.00 N ATOM 328 CA ALA A 21 7.757 -16.313 -2.863 1.00 1.00 C ATOM 329 C ALA A 21 7.901 -17.124 -1.582 1.00 1.00 C ATOM 330 O ALA A 21 7.068 -17.979 -1.278 1.00 1.00 O ATOM 331 CB ALA A 21 9.075 -16.341 -3.637 1.00 1.00 C ATOM 0 H ALA A 21 8.171 -14.280 -2.541 1.00 1.00 H new ATOM 0 HA ALA A 21 6.969 -16.754 -3.473 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.343 -17.373 -3.862 1.00 1.00 H new ATOM 0 HB2 ALA A 21 8.963 -15.784 -4.567 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.861 -15.886 -3.034 1.00 1.00 H new ATOM 337 N ASP A 22 8.964 -16.854 -0.829 1.00 1.00 N ATOM 338 CA ASP A 22 9.205 -17.564 0.422 1.00 1.00 C ATOM 339 C ASP A 22 9.126 -16.605 1.603 1.00 1.00 C ATOM 340 O ASP A 22 9.670 -16.877 2.676 1.00 1.00 O ATOM 341 CB ASP A 22 10.584 -18.224 0.391 1.00 1.00 C ATOM 342 CG ASP A 22 10.566 -19.418 -0.559 1.00 1.00 C ATOM 343 OD1 ASP A 22 9.484 -19.851 -0.916 1.00 1.00 O ATOM 344 OD2 ASP A 22 11.638 -19.880 -0.917 1.00 1.00 O ATOM 0 H ASP A 22 9.668 -16.153 -1.062 1.00 1.00 H new ATOM 0 HA ASP A 22 8.439 -18.330 0.537 1.00 1.00 H new ATOM 0 HB2 ASP A 22 11.335 -17.503 0.069 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.864 -18.549 1.393 1.00 1.00 H new ATOM 349 N VAL A 23 8.448 -15.478 1.404 1.00 1.00 N ATOM 350 CA VAL A 23 8.313 -14.483 2.461 1.00 1.00 C ATOM 351 C VAL A 23 6.863 -14.376 2.919 1.00 1.00 C ATOM 352 O VAL A 23 5.949 -14.289 2.100 1.00 1.00 O ATOM 353 CB VAL A 23 8.789 -13.117 1.952 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.661 -12.083 3.072 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.252 -13.218 1.514 1.00 1.00 C ATOM 0 H VAL A 23 7.987 -15.233 0.528 1.00 1.00 H new ATOM 0 HA VAL A 23 8.926 -14.794 3.307 1.00 1.00 H new ATOM 0 HB VAL A 23 8.177 -12.811 1.104 1.00 1.00 H new ATOM 0 HG11 VAL A 23 8.999 -11.112 2.711 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.619 -12.011 3.384 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.273 -12.388 3.920 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.591 -12.247 1.152 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.865 -13.524 2.362 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.343 -13.955 0.716 1.00 1.00 H new ATOM 365 N VAL A 24 6.662 -14.387 4.232 1.00 1.00 N ATOM 366 CA VAL A 24 5.318 -14.287 4.789 1.00 1.00 C ATOM 367 C VAL A 24 4.803 -12.857 4.688 1.00 1.00 C ATOM 368 O VAL A 24 5.536 -11.900 4.949 1.00 1.00 O ATOM 369 CB VAL A 24 5.325 -14.726 6.254 1.00 1.00 C ATOM 370 CG1 VAL A 24 6.110 -13.710 7.087 1.00 1.00 C ATOM 371 CG2 VAL A 24 3.887 -14.805 6.770 1.00 1.00 C ATOM 0 H VAL A 24 7.406 -14.463 4.926 1.00 1.00 H new ATOM 0 HA VAL A 24 4.659 -14.941 4.218 1.00 1.00 H new ATOM 0 HB VAL A 24 5.795 -15.706 6.337 1.00 1.00 H new ATOM 0 HG11 VAL A 24 6.115 -14.022 8.131 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.135 -13.653 6.720 1.00 1.00 H new ATOM 0 HG13 VAL A 24 5.640 -12.730 7.004 1.00 1.00 H new ATOM 0 HG21 VAL A 24 3.892 -15.118 7.814 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.416 -13.825 6.687 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.327 -15.528 6.177 1.00 1.00 H new ATOM 381 N VAL A 25 3.536 -12.712 4.312 1.00 1.00 N ATOM 382 CA VAL A 25 2.936 -11.391 4.176 1.00 1.00 C ATOM 383 C VAL A 25 1.921 -11.148 5.286 1.00 1.00 C ATOM 384 O VAL A 25 1.080 -12.001 5.575 1.00 1.00 O ATOM 385 CB VAL A 25 2.241 -11.269 2.818 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.048 -12.226 2.766 1.00 1.00 C ATOM 387 CG2 VAL A 25 1.750 -9.833 2.623 1.00 1.00 C ATOM 0 H VAL A 25 2.909 -13.488 4.098 1.00 1.00 H new ATOM 0 HA VAL A 25 3.728 -10.645 4.249 1.00 1.00 H new ATOM 0 HB VAL A 25 2.946 -11.524 2.026 1.00 1.00 H new ATOM 0 HG11 VAL A 25 0.553 -12.139 1.799 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.396 -13.250 2.904 1.00 1.00 H new ATOM 0 HG13 VAL A 25 0.343 -11.972 3.558 1.00 1.00 H new ATOM 0 HG21 VAL A 25 1.255 -9.746 1.656 1.00 1.00 H new ATOM 0 HG22 VAL A 25 1.046 -9.578 3.415 1.00 1.00 H new ATOM 0 HG23 VAL A 25 2.599 -9.150 2.659 1.00 1.00 H new ATOM 397 N THR A 26 2.004 -9.978 5.913 1.00 1.00 N ATOM 398 CA THR A 26 1.087 -9.628 6.993 1.00 1.00 C ATOM 399 C THR A 26 0.555 -8.213 6.809 1.00 1.00 C ATOM 400 O THR A 26 1.162 -7.396 6.116 1.00 1.00 O ATOM 401 CB THR A 26 1.801 -9.740 8.340 1.00 1.00 C ATOM 402 OG1 THR A 26 3.043 -9.057 8.272 1.00 1.00 O ATOM 403 CG2 THR A 26 2.040 -11.211 8.674 1.00 1.00 C ATOM 0 H THR A 26 2.694 -9.259 5.693 1.00 1.00 H new ATOM 0 HA THR A 26 0.247 -10.322 6.970 1.00 1.00 H new ATOM 0 HB THR A 26 1.183 -9.292 9.118 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.502 -9.126 9.135 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.549 -11.288 9.635 1.00 1.00 H new ATOM 0 HG22 THR A 26 1.084 -11.732 8.727 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.658 -11.664 7.899 1.00 1.00 H new ATOM 411 N ALA A 27 -0.585 -7.927 7.433 1.00 1.00 N ATOM 412 CA ALA A 27 -1.188 -6.605 7.329 1.00 1.00 C ATOM 413 C ALA A 27 -0.651 -5.679 8.414 1.00 1.00 C ATOM 414 O ALA A 27 -0.554 -4.470 8.220 1.00 1.00 O ATOM 415 CB ALA A 27 -2.711 -6.718 7.458 1.00 1.00 C ATOM 0 H ALA A 27 -1.105 -8.588 8.011 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.933 -6.186 6.356 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -3.157 -5.727 7.380 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -3.097 -7.354 6.662 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.963 -7.154 8.425 1.00 1.00 H new ATOM 421 N ASP A 28 -0.309 -6.259 9.561 1.00 1.00 N ATOM 422 CA ASP A 28 0.207 -5.475 10.676 1.00 1.00 C ATOM 423 C ASP A 28 1.675 -5.135 10.459 1.00 1.00 C ATOM 424 O ASP A 28 2.290 -4.444 11.272 1.00 1.00 O ATOM 425 CB ASP A 28 0.049 -6.258 11.980 1.00 1.00 C ATOM 426 CG ASP A 28 -1.431 -6.427 12.312 1.00 1.00 C ATOM 427 OD1 ASP A 28 -2.244 -5.824 11.631 1.00 1.00 O ATOM 428 OD2 ASP A 28 -1.730 -7.159 13.242 1.00 1.00 O ATOM 0 H ASP A 28 -0.379 -7.261 9.741 1.00 1.00 H new ATOM 0 HA ASP A 28 -0.362 -4.547 10.738 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.523 -7.235 11.887 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.555 -5.735 12.791 1.00 1.00 H new ATOM 433 N SER A 29 2.236 -5.626 9.358 1.00 1.00 N ATOM 434 CA SER A 29 3.636 -5.366 9.043 1.00 1.00 C ATOM 435 C SER A 29 3.787 -4.008 8.368 1.00 1.00 C ATOM 436 O SER A 29 3.595 -3.879 7.159 1.00 1.00 O ATOM 437 CB SER A 29 4.173 -6.460 8.119 1.00 1.00 C ATOM 438 OG SER A 29 5.244 -5.938 7.345 1.00 1.00 O ATOM 0 H SER A 29 1.746 -6.202 8.673 1.00 1.00 H new ATOM 0 HA SER A 29 4.206 -5.363 9.972 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.515 -7.312 8.706 1.00 1.00 H new ATOM 0 HB3 SER A 29 3.379 -6.822 7.465 1.00 1.00 H new ATOM 0 HG SER A 29 5.591 -6.638 6.753 1.00 1.00 H new ATOM 444 N GLU A 30 4.138 -2.996 9.156 1.00 1.00 N ATOM 445 CA GLU A 30 4.306 -1.648 8.625 1.00 1.00 C ATOM 446 C GLU A 30 5.019 -1.690 7.276 1.00 1.00 C ATOM 447 O GLU A 30 5.806 -2.598 7.008 1.00 1.00 O ATOM 448 CB GLU A 30 5.121 -0.803 9.607 1.00 1.00 C ATOM 449 CG GLU A 30 4.325 -0.615 10.900 1.00 1.00 C ATOM 450 CD GLU A 30 5.197 0.058 11.955 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.315 0.422 11.627 1.00 1.00 O ATOM 452 OE2 GLU A 30 4.735 0.199 13.075 1.00 1.00 O ATOM 0 H GLU A 30 4.311 -3.083 10.158 1.00 1.00 H new ATOM 0 HA GLU A 30 3.320 -1.203 8.489 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.072 -1.290 9.820 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.352 0.166 9.165 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.440 -0.009 10.707 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.977 -1.581 11.266 1.00 1.00 H new ATOM 459 N PHE A 31 4.739 -0.703 6.434 1.00 1.00 N ATOM 460 CA PHE A 31 5.357 -0.639 5.116 1.00 1.00 C ATOM 461 C PHE A 31 6.877 -0.605 5.239 1.00 1.00 C ATOM 462 O PHE A 31 7.585 -1.246 4.464 1.00 1.00 O ATOM 463 CB PHE A 31 4.878 0.613 4.376 1.00 1.00 C ATOM 464 CG PHE A 31 3.453 0.412 3.918 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.196 -0.199 2.684 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.391 0.836 4.725 1.00 1.00 C ATOM 467 CE1 PHE A 31 1.875 -0.386 2.258 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.072 0.650 4.299 1.00 1.00 C ATOM 469 CZ PHE A 31 0.812 0.038 3.065 1.00 1.00 C ATOM 0 H PHE A 31 4.093 0.059 6.638 1.00 1.00 H new ATOM 0 HA PHE A 31 5.067 -1.528 4.556 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.942 1.482 5.031 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.522 0.811 3.519 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.016 -0.526 2.062 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.590 1.307 5.676 1.00 1.00 H new ATOM 0 HE1 PHE A 31 1.676 -0.857 1.307 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.253 0.978 4.921 1.00 1.00 H new ATOM 0 HZ PHE A 31 -0.207 -0.106 2.737 1.00 1.00 H new ATOM 479 N SER A 32 7.371 0.144 6.219 1.00 1.00 N ATOM 480 CA SER A 32 8.809 0.256 6.430 1.00 1.00 C ATOM 481 C SER A 32 9.426 -1.117 6.660 1.00 1.00 C ATOM 482 O SER A 32 8.833 -1.975 7.312 1.00 1.00 O ATOM 483 CB SER A 32 9.089 1.150 7.640 1.00 1.00 C ATOM 484 OG SER A 32 10.478 1.122 7.937 1.00 1.00 O ATOM 0 H SER A 32 6.802 0.679 6.875 1.00 1.00 H new ATOM 0 HA SER A 32 9.255 0.697 5.538 1.00 1.00 H new ATOM 0 HB2 SER A 32 8.771 2.172 7.432 1.00 1.00 H new ATOM 0 HB3 SER A 32 8.515 0.806 8.500 1.00 1.00 H new ATOM 0 HG SER A 32 10.659 1.696 8.711 1.00 1.00 H new ATOM 490 N LYS A 33 10.622 -1.321 6.114 1.00 1.00 N ATOM 491 CA LYS A 33 11.311 -2.597 6.264 1.00 1.00 C ATOM 492 C LYS A 33 12.823 -2.401 6.198 1.00 1.00 C ATOM 493 O LYS A 33 13.310 -1.465 5.564 1.00 1.00 O ATOM 494 CB LYS A 33 10.870 -3.562 5.163 1.00 1.00 C ATOM 495 CG LYS A 33 11.458 -4.948 5.432 1.00 1.00 C ATOM 496 CD LYS A 33 10.927 -5.939 4.394 1.00 1.00 C ATOM 497 CE LYS A 33 11.488 -7.332 4.684 1.00 1.00 C ATOM 498 NZ LYS A 33 12.958 -7.336 4.440 1.00 1.00 N ATOM 0 H LYS A 33 11.130 -0.625 5.568 1.00 1.00 H new ATOM 0 HA LYS A 33 11.053 -3.015 7.237 1.00 1.00 H new ATOM 0 HB2 LYS A 33 9.782 -3.618 5.128 1.00 1.00 H new ATOM 0 HB3 LYS A 33 11.202 -3.197 4.191 1.00 1.00 H new ATOM 0 HG2 LYS A 33 12.546 -4.908 5.388 1.00 1.00 H new ATOM 0 HG3 LYS A 33 11.192 -5.279 6.436 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.838 -5.961 4.421 1.00 1.00 H new ATOM 0 HD3 LYS A 33 11.214 -5.621 3.392 1.00 1.00 H new ATOM 0 HE2 LYS A 33 11.279 -7.612 5.716 1.00 1.00 H new ATOM 0 HE3 LYS A 33 11.001 -8.071 4.048 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 13.290 -8.316 4.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 13.167 -6.806 3.570 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 13.444 -6.889 5.243 1.00 1.00 H new ATOM 512 N LEU A 34 13.560 -3.290 6.857 1.00 1.00 N ATOM 513 CA LEU A 34 15.015 -3.201 6.868 1.00 1.00 C ATOM 514 C LEU A 34 15.573 -3.404 5.466 1.00 1.00 C ATOM 515 O LEU A 34 15.198 -4.344 4.766 1.00 1.00 O ATOM 516 CB LEU A 34 15.592 -4.263 7.807 1.00 1.00 C ATOM 517 CG LEU A 34 17.120 -4.183 7.787 1.00 1.00 C ATOM 518 CD1 LEU A 34 17.569 -2.784 8.214 1.00 1.00 C ATOM 519 CD2 LEU A 34 17.697 -5.220 8.756 1.00 1.00 C ATOM 0 H LEU A 34 13.177 -4.074 7.386 1.00 1.00 H new ATOM 0 HA LEU A 34 15.299 -2.209 7.220 1.00 1.00 H new ATOM 0 HB2 LEU A 34 15.222 -4.108 8.820 1.00 1.00 H new ATOM 0 HB3 LEU A 34 15.265 -5.255 7.497 1.00 1.00 H new ATOM 0 HG LEU A 34 17.479 -4.385 6.778 1.00 1.00 H new ATOM 0 HD11 LEU A 34 18.658 -2.731 8.199 1.00 1.00 H new ATOM 0 HD12 LEU A 34 17.160 -2.045 7.526 1.00 1.00 H new ATOM 0 HD13 LEU A 34 17.210 -2.579 9.222 1.00 1.00 H new ATOM 0 HD21 LEU A 34 18.785 -5.164 8.743 1.00 1.00 H new ATOM 0 HD22 LEU A 34 17.335 -5.017 9.764 1.00 1.00 H new ATOM 0 HD23 LEU A 34 17.381 -6.218 8.452 1.00 1.00 H new ATOM 531 N GLY A 35 16.479 -2.517 5.062 1.00 1.00 N ATOM 532 CA GLY A 35 17.084 -2.607 3.737 1.00 1.00 C ATOM 533 C GLY A 35 17.017 -1.265 3.017 1.00 1.00 C ATOM 534 O GLY A 35 15.984 -0.905 2.453 1.00 1.00 O ATOM 0 H GLY A 35 16.808 -1.735 5.628 1.00 1.00 H new ATOM 0 HA2 GLY A 35 18.123 -2.924 3.828 1.00 1.00 H new ATOM 0 HA3 GLY A 35 16.569 -3.366 3.148 1.00 1.00 H new ATOM 538 N ALA A 36 18.124 -0.530 3.039 1.00 1.00 N ATOM 539 CA ALA A 36 18.179 0.772 2.384 1.00 1.00 C ATOM 540 C ALA A 36 17.254 1.763 3.085 1.00 1.00 C ATOM 541 O ALA A 36 17.622 2.915 3.311 1.00 1.00 O ATOM 542 CB ALA A 36 17.766 0.636 0.918 1.00 1.00 C ATOM 0 H ALA A 36 18.990 -0.811 3.500 1.00 1.00 H new ATOM 0 HA ALA A 36 19.202 1.144 2.440 1.00 1.00 H new ATOM 0 HB1 ALA A 36 17.810 1.612 0.436 1.00 1.00 H new ATOM 0 HB2 ALA A 36 18.445 -0.050 0.411 1.00 1.00 H new ATOM 0 HB3 ALA A 36 16.749 0.248 0.861 1.00 1.00 H new ATOM 548 N ASP A 37 16.052 1.308 3.420 1.00 1.00 N ATOM 549 CA ASP A 37 15.084 2.162 4.095 1.00 1.00 C ATOM 550 C ASP A 37 14.828 3.428 3.285 1.00 1.00 C ATOM 551 O ASP A 37 14.590 4.498 3.845 1.00 1.00 O ATOM 552 CB ASP A 37 15.601 2.539 5.485 1.00 1.00 C ATOM 553 CG ASP A 37 15.537 1.330 6.411 1.00 1.00 C ATOM 554 OD1 ASP A 37 14.849 0.382 6.070 1.00 1.00 O ATOM 555 OD2 ASP A 37 16.180 1.369 7.448 1.00 1.00 O ATOM 0 H ASP A 37 15.727 0.359 3.236 1.00 1.00 H new ATOM 0 HA ASP A 37 14.148 1.612 4.192 1.00 1.00 H new ATOM 0 HB2 ASP A 37 16.627 2.900 5.415 1.00 1.00 H new ATOM 0 HB3 ASP A 37 15.004 3.354 5.895 1.00 1.00 H new ATOM 560 N SER A 38 14.881 3.300 1.964 1.00 1.00 N ATOM 561 CA SER A 38 14.653 4.441 1.085 1.00 1.00 C ATOM 562 C SER A 38 13.165 4.765 1.004 1.00 1.00 C ATOM 563 O SER A 38 12.318 3.917 1.285 1.00 1.00 O ATOM 564 CB SER A 38 15.186 4.136 -0.316 1.00 1.00 C ATOM 0 H SER A 38 15.078 2.424 1.481 1.00 1.00 H new ATOM 0 HA SER A 38 15.180 5.302 1.495 1.00 1.00 H new ATOM 569 N LEU A 39 12.854 5.998 0.615 1.00 1.00 N ATOM 570 CA LEU A 39 11.462 6.423 0.500 1.00 1.00 C ATOM 571 C LEU A 39 10.890 6.014 -0.848 1.00 1.00 C ATOM 572 O LEU A 39 11.509 6.231 -1.891 1.00 1.00 O ATOM 573 CB LEU A 39 11.370 7.942 0.658 1.00 1.00 C ATOM 574 CG LEU A 39 11.487 8.312 2.139 1.00 1.00 C ATOM 575 CD1 LEU A 39 10.232 7.850 2.884 1.00 1.00 C ATOM 576 CD2 LEU A 39 12.719 7.624 2.738 1.00 1.00 C ATOM 0 H LEU A 39 13.539 6.715 0.376 1.00 1.00 H new ATOM 0 HA LEU A 39 10.884 5.939 1.288 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.163 8.426 0.088 1.00 1.00 H new ATOM 0 HB3 LEU A 39 10.423 8.303 0.256 1.00 1.00 H new ATOM 0 HG LEU A 39 11.588 9.393 2.237 1.00 1.00 H new ATOM 0 HD11 LEU A 39 10.317 8.114 3.938 1.00 1.00 H new ATOM 0 HD12 LEU A 39 9.355 8.337 2.457 1.00 1.00 H new ATOM 0 HD13 LEU A 39 10.129 6.769 2.788 1.00 1.00 H new ATOM 0 HD21 LEU A 39 12.805 7.886 3.793 1.00 1.00 H new ATOM 0 HD22 LEU A 39 12.616 6.543 2.639 1.00 1.00 H new ATOM 0 HD23 LEU A 39 13.613 7.953 2.208 1.00 1.00 H new ATOM 588 N ASP A 40 9.700 5.420 -0.826 1.00 1.00 N ATOM 589 CA ASP A 40 9.050 4.981 -2.057 1.00 1.00 C ATOM 590 C ASP A 40 7.563 5.314 -2.026 1.00 1.00 C ATOM 591 O ASP A 40 6.755 4.655 -2.682 1.00 1.00 O ATOM 592 CB ASP A 40 9.235 3.473 -2.236 1.00 1.00 C ATOM 593 CG ASP A 40 10.677 3.167 -2.625 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.405 4.102 -2.911 1.00 1.00 O ATOM 595 OD2 ASP A 40 11.033 1.999 -2.632 1.00 1.00 O ATOM 0 H ASP A 40 9.169 5.233 0.025 1.00 1.00 H new ATOM 0 HA ASP A 40 9.510 5.505 -2.895 1.00 1.00 H new ATOM 0 HB2 ASP A 40 8.981 2.955 -1.311 1.00 1.00 H new ATOM 0 HB3 ASP A 40 8.556 3.104 -3.005 1.00 1.00 H new ATOM 600 N THR A 41 7.206 6.340 -1.262 1.00 1.00 N ATOM 601 CA THR A 41 5.812 6.751 -1.152 1.00 1.00 C ATOM 602 C THR A 41 5.262 7.148 -2.519 1.00 1.00 C ATOM 603 O THR A 41 4.139 6.793 -2.870 1.00 1.00 O ATOM 604 CB THR A 41 5.689 7.932 -0.187 1.00 1.00 C ATOM 605 OG1 THR A 41 6.389 7.635 1.013 1.00 1.00 O ATOM 606 CG2 THR A 41 4.214 8.182 0.130 1.00 1.00 C ATOM 0 H THR A 41 7.858 6.899 -0.713 1.00 1.00 H new ATOM 0 HA THR A 41 5.234 5.910 -0.770 1.00 1.00 H new ATOM 0 HB THR A 41 6.116 8.824 -0.646 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.313 8.391 1.632 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.127 9.023 0.817 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.677 8.409 -0.791 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.785 7.292 0.590 1.00 1.00 H new ATOM 614 N VAL A 42 6.059 7.889 -3.278 1.00 1.00 N ATOM 615 CA VAL A 42 5.643 8.334 -4.604 1.00 1.00 C ATOM 616 C VAL A 42 5.397 7.135 -5.513 1.00 1.00 C ATOM 617 O VAL A 42 4.432 7.108 -6.275 1.00 1.00 O ATOM 618 CB VAL A 42 6.712 9.240 -5.213 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.320 9.604 -6.645 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.835 10.517 -4.378 1.00 1.00 C ATOM 0 H VAL A 42 6.992 8.194 -3.001 1.00 1.00 H new ATOM 0 HA VAL A 42 4.714 8.896 -4.507 1.00 1.00 H new ATOM 0 HB VAL A 42 7.668 8.717 -5.221 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.083 10.250 -7.078 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.233 8.695 -7.241 1.00 1.00 H new ATOM 0 HG13 VAL A 42 5.363 10.126 -6.639 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.598 11.164 -4.812 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.878 11.039 -4.369 1.00 1.00 H new ATOM 0 HG23 VAL A 42 7.117 10.259 -3.357 1.00 1.00 H new ATOM 630 N GLU A 43 6.298 6.163 -5.458 1.00 1.00 N ATOM 631 CA GLU A 43 6.164 4.964 -6.269 1.00 1.00 C ATOM 632 C GLU A 43 5.082 4.042 -5.719 1.00 1.00 C ATOM 633 O GLU A 43 4.310 3.449 -6.468 1.00 1.00 O ATOM 634 CB GLU A 43 7.499 4.216 -6.323 1.00 1.00 C ATOM 635 CG GLU A 43 8.524 5.052 -7.092 1.00 1.00 C ATOM 636 CD GLU A 43 9.881 4.357 -7.076 1.00 1.00 C ATOM 637 OE1 GLU A 43 9.962 3.269 -6.529 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.820 4.922 -7.612 1.00 1.00 O ATOM 0 H GLU A 43 7.126 6.182 -4.862 1.00 1.00 H new ATOM 0 HA GLU A 43 5.875 5.270 -7.274 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.859 4.020 -5.313 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.366 3.249 -6.808 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.191 5.195 -8.120 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.608 6.042 -6.644 1.00 1.00 H new ATOM 645 N ILE A 44 5.049 3.913 -4.392 1.00 1.00 N ATOM 646 CA ILE A 44 4.079 3.038 -3.756 1.00 1.00 C ATOM 647 C ILE A 44 2.662 3.547 -3.935 1.00 1.00 C ATOM 648 O ILE A 44 1.757 2.788 -4.278 1.00 1.00 O ATOM 649 CB ILE A 44 4.396 2.924 -2.253 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.700 2.145 -2.058 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.249 2.195 -1.542 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.404 0.643 -2.014 1.00 1.00 C ATOM 0 H ILE A 44 5.675 4.398 -3.749 1.00 1.00 H new ATOM 0 HA ILE A 44 4.148 2.060 -4.232 1.00 1.00 H new ATOM 0 HB ILE A 44 4.508 3.923 -1.831 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.391 2.365 -2.871 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.186 2.457 -1.133 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.473 2.114 -0.478 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.323 2.755 -1.676 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.134 1.197 -1.965 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.335 0.093 -1.875 1.00 1.00 H new ATOM 0 HD12 ILE A 44 4.729 0.429 -1.185 1.00 1.00 H new ATOM 0 HD13 ILE A 44 4.937 0.337 -2.950 1.00 1.00 H new ATOM 664 N VAL A 45 2.476 4.843 -3.711 1.00 1.00 N ATOM 665 CA VAL A 45 1.152 5.442 -3.823 1.00 1.00 C ATOM 666 C VAL A 45 0.603 5.284 -5.233 1.00 1.00 C ATOM 667 O VAL A 45 -0.565 4.944 -5.421 1.00 1.00 O ATOM 668 CB VAL A 45 1.222 6.930 -3.464 1.00 1.00 C ATOM 669 CG1 VAL A 45 2.074 7.663 -4.502 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.190 7.519 -3.453 1.00 1.00 C ATOM 0 H VAL A 45 3.218 5.494 -3.453 1.00 1.00 H new ATOM 0 HA VAL A 45 0.485 4.929 -3.131 1.00 1.00 H new ATOM 0 HB VAL A 45 1.671 7.047 -2.477 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.125 8.722 -4.249 1.00 1.00 H new ATOM 0 HG12 VAL A 45 3.080 7.243 -4.510 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.625 7.547 -5.488 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.141 8.578 -3.198 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.640 7.404 -4.439 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.797 6.995 -2.714 1.00 1.00 H new ATOM 680 N MET A 46 1.454 5.531 -6.223 1.00 1.00 N ATOM 681 CA MET A 46 1.044 5.418 -7.617 1.00 1.00 C ATOM 682 C MET A 46 0.663 3.980 -7.952 1.00 1.00 C ATOM 683 O MET A 46 -0.283 3.735 -8.698 1.00 1.00 O ATOM 684 CB MET A 46 2.174 5.880 -8.536 1.00 1.00 C ATOM 685 CG MET A 46 2.267 7.407 -8.508 1.00 1.00 C ATOM 686 SD MET A 46 0.645 8.122 -8.879 1.00 1.00 S ATOM 687 CE MET A 46 0.409 7.324 -10.486 1.00 1.00 C ATOM 0 H MET A 46 2.426 5.809 -6.087 1.00 1.00 H new ATOM 0 HA MET A 46 0.173 6.055 -7.770 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.119 5.442 -8.215 1.00 1.00 H new ATOM 0 HB3 MET A 46 1.992 5.535 -9.554 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.608 7.743 -7.529 1.00 1.00 H new ATOM 0 HG3 MET A 46 3.002 7.750 -9.236 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.257 7.931 -11.099 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.372 7.222 -10.987 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.031 6.337 -10.341 1.00 1.00 H new ATOM 697 N ASN A 47 1.413 3.035 -7.394 1.00 1.00 N ATOM 698 CA ASN A 47 1.146 1.621 -7.643 1.00 1.00 C ATOM 699 C ASN A 47 -0.261 1.254 -7.176 1.00 1.00 C ATOM 700 O ASN A 47 -1.010 0.595 -7.897 1.00 1.00 O ATOM 701 CB ASN A 47 2.171 0.761 -6.900 1.00 1.00 C ATOM 702 CG ASN A 47 2.274 -0.611 -7.558 1.00 1.00 C ATOM 703 OD1 ASN A 47 3.141 -1.409 -7.201 1.00 1.00 O ATOM 704 ND2 ASN A 47 1.433 -0.935 -8.503 1.00 1.00 N ATOM 0 H ASN A 47 2.202 3.218 -6.773 1.00 1.00 H new ATOM 0 HA ASN A 47 1.223 1.436 -8.714 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.144 1.252 -6.908 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.878 0.652 -5.856 1.00 1.00 H new ATOM 0 HD21 ASN A 47 1.493 -1.851 -8.947 1.00 1.00 H new ATOM 0 HD22 ASN A 47 0.716 -0.272 -8.797 1.00 1.00 H new ATOM 711 N LEU A 48 -0.611 1.688 -5.970 1.00 1.00 N ATOM 712 CA LEU A 48 -1.935 1.401 -5.425 1.00 1.00 C ATOM 713 C LEU A 48 -3.011 2.120 -6.238 1.00 1.00 C ATOM 714 O LEU A 48 -4.011 1.518 -6.625 1.00 1.00 O ATOM 715 CB LEU A 48 -2.005 1.875 -3.970 1.00 1.00 C ATOM 716 CG LEU A 48 -0.910 1.181 -3.158 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.630 1.987 -1.887 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.360 -0.229 -2.779 1.00 1.00 C ATOM 0 H LEU A 48 -0.005 2.233 -5.357 1.00 1.00 H new ATOM 0 HA LEU A 48 -2.108 0.326 -5.474 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.879 2.957 -3.922 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.985 1.649 -3.549 1.00 1.00 H new ATOM 0 HG LEU A 48 -0.002 1.118 -3.758 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.150 1.493 -1.308 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.301 2.990 -2.158 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.539 2.052 -1.290 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.576 -0.718 -2.201 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -2.270 -0.172 -2.181 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.556 -0.804 -3.684 1.00 1.00 H new ATOM 730 N GLU A 49 -2.787 3.402 -6.510 1.00 1.00 N ATOM 731 CA GLU A 49 -3.745 4.185 -7.281 1.00 1.00 C ATOM 732 C GLU A 49 -3.845 3.644 -8.707 1.00 1.00 C ATOM 733 O GLU A 49 -4.928 3.599 -9.289 1.00 1.00 O ATOM 734 CB GLU A 49 -3.306 5.652 -7.323 1.00 1.00 C ATOM 735 CG GLU A 49 -4.424 6.501 -7.932 1.00 1.00 C ATOM 736 CD GLU A 49 -3.956 7.944 -8.088 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.998 8.309 -7.428 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.563 8.661 -8.865 1.00 1.00 O ATOM 0 H GLU A 49 -1.958 3.916 -6.211 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.721 4.111 -6.801 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -3.075 6.003 -6.317 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.395 5.754 -7.913 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.712 6.096 -8.902 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.308 6.463 -7.296 1.00 1.00 H new ATOM 745 N GLU A 50 -2.706 3.240 -9.263 1.00 1.00 N ATOM 746 CA GLU A 50 -2.681 2.706 -10.618 1.00 1.00 C ATOM 747 C GLU A 50 -3.370 1.347 -10.678 1.00 1.00 C ATOM 748 O GLU A 50 -4.151 1.076 -11.588 1.00 1.00 O ATOM 749 CB GLU A 50 -1.233 2.567 -11.096 1.00 1.00 C ATOM 750 CG GLU A 50 -1.218 2.139 -12.564 1.00 1.00 C ATOM 751 CD GLU A 50 0.220 2.048 -13.066 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.095 2.569 -12.394 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.425 1.454 -14.112 1.00 1.00 O ATOM 0 H GLU A 50 -1.798 3.272 -8.800 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.217 3.398 -11.268 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.707 3.514 -10.977 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.707 1.832 -10.487 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.712 1.174 -12.675 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.777 2.855 -13.166 1.00 1.00 H new ATOM 760 N GLU A 51 -3.075 0.498 -9.697 1.00 1.00 N ATOM 761 CA GLU A 51 -3.666 -0.833 -9.654 1.00 1.00 C ATOM 762 C GLU A 51 -5.166 -0.749 -9.392 1.00 1.00 C ATOM 763 O GLU A 51 -5.972 -1.213 -10.198 1.00 1.00 O ATOM 764 CB GLU A 51 -3.001 -1.661 -8.552 1.00 1.00 C ATOM 765 CG GLU A 51 -3.536 -3.095 -8.596 1.00 1.00 C ATOM 766 CD GLU A 51 -2.869 -3.934 -7.513 1.00 1.00 C ATOM 767 OE1 GLU A 51 -3.249 -3.791 -6.362 1.00 1.00 O ATOM 768 OE2 GLU A 51 -1.987 -4.708 -7.848 1.00 1.00 O ATOM 0 H GLU A 51 -2.437 0.706 -8.929 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.505 -1.312 -10.620 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.919 -1.661 -8.685 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.202 -1.217 -7.577 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -4.616 -3.093 -8.452 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -3.345 -3.533 -9.576 1.00 1.00 H new ATOM 775 N PHE A 52 -5.531 -0.152 -8.264 1.00 1.00 N ATOM 776 CA PHE A 52 -6.938 -0.012 -7.904 1.00 1.00 C ATOM 777 C PHE A 52 -7.667 0.858 -8.921 1.00 1.00 C ATOM 778 O PHE A 52 -8.835 0.622 -9.232 1.00 1.00 O ATOM 779 CB PHE A 52 -7.065 0.607 -6.512 1.00 1.00 C ATOM 780 CG PHE A 52 -6.658 -0.405 -5.470 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.390 -1.590 -5.324 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.550 -0.161 -4.648 1.00 1.00 C ATOM 783 CE1 PHE A 52 -7.015 -2.530 -4.356 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.176 -1.100 -3.682 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.907 -2.285 -3.535 1.00 1.00 C ATOM 0 H PHE A 52 -4.878 0.241 -7.586 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.392 -1.003 -7.900 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.435 1.494 -6.438 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.092 0.930 -6.339 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -8.244 -1.779 -5.958 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.985 0.752 -4.761 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -7.580 -3.443 -4.243 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.322 -0.911 -3.048 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.617 -3.010 -2.789 1.00 1.00 H new ATOM 795 N GLY A 53 -6.972 1.867 -9.435 1.00 1.00 N ATOM 796 CA GLY A 53 -7.564 2.769 -10.416 1.00 1.00 C ATOM 797 C GLY A 53 -8.363 3.869 -9.733 1.00 1.00 C ATOM 798 O GLY A 53 -9.375 4.335 -10.254 1.00 1.00 O ATOM 0 H GLY A 53 -6.005 2.080 -9.191 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.779 3.212 -11.029 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -8.213 2.207 -11.087 1.00 1.00 H new ATOM 802 N ILE A 54 -7.903 4.283 -8.553 1.00 1.00 N ATOM 803 CA ILE A 54 -8.586 5.332 -7.803 1.00 1.00 C ATOM 804 C ILE A 54 -7.831 6.647 -7.910 1.00 1.00 C ATOM 805 O ILE A 54 -6.997 6.828 -8.798 1.00 1.00 O ATOM 806 CB ILE A 54 -8.700 4.922 -6.332 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.318 4.530 -5.803 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.653 3.733 -6.204 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.426 4.141 -4.328 1.00 1.00 C ATOM 0 H ILE A 54 -7.068 3.911 -8.100 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.582 5.468 -8.224 1.00 1.00 H new ATOM 0 HB ILE A 54 -9.087 5.759 -5.751 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.919 3.697 -6.381 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.623 5.361 -5.921 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.733 3.442 -5.157 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.637 4.014 -6.579 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -9.269 2.895 -6.785 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.442 3.862 -3.952 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.807 4.987 -3.756 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -8.107 3.296 -4.223 1.00 1.00 H new ATOM 821 N ASN A 55 -8.125 7.570 -7.000 1.00 1.00 N ATOM 822 CA ASN A 55 -7.464 8.871 -6.998 1.00 1.00 C ATOM 823 C ASN A 55 -7.061 9.259 -5.579 1.00 1.00 C ATOM 824 O ASN A 55 -7.822 9.920 -4.868 1.00 1.00 O ATOM 825 CB ASN A 55 -8.396 9.934 -7.579 1.00 1.00 C ATOM 826 CG ASN A 55 -9.851 9.524 -7.369 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.730 9.948 -8.116 1.00 1.00 O ATOM 828 ND2 ASN A 55 -10.156 8.719 -6.388 1.00 1.00 N ATOM 0 H ASN A 55 -8.813 7.443 -6.258 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.567 8.806 -7.614 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -8.208 10.895 -7.101 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.196 10.063 -8.643 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -11.126 8.440 -6.240 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.424 8.369 -5.770 1.00 1.00 H new ATOM 835 N VAL A 56 -5.861 8.860 -5.175 1.00 1.00 N ATOM 836 CA VAL A 56 -5.376 9.168 -3.837 1.00 1.00 C ATOM 837 C VAL A 56 -4.436 10.368 -3.871 1.00 1.00 C ATOM 838 O VAL A 56 -3.470 10.392 -4.632 1.00 1.00 O ATOM 839 CB VAL A 56 -4.636 7.957 -3.260 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.327 7.744 -4.024 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.329 8.203 -1.781 1.00 1.00 C ATOM 0 H VAL A 56 -5.210 8.326 -5.751 1.00 1.00 H new ATOM 0 HA VAL A 56 -6.232 9.408 -3.206 1.00 1.00 H new ATOM 0 HB VAL A 56 -5.262 7.070 -3.359 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.802 6.882 -3.612 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -3.545 7.567 -5.077 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -2.701 8.631 -3.927 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.803 7.341 -1.370 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -3.705 9.091 -1.682 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -5.261 8.352 -1.236 1.00 1.00 H new ATOM 851 N ASP A 57 -4.725 11.362 -3.037 1.00 1.00 N ATOM 852 CA ASP A 57 -3.898 12.561 -2.977 1.00 1.00 C ATOM 853 C ASP A 57 -2.665 12.320 -2.114 1.00 1.00 C ATOM 854 O ASP A 57 -2.649 11.417 -1.277 1.00 1.00 O ATOM 855 CB ASP A 57 -4.708 13.724 -2.400 1.00 1.00 C ATOM 856 CG ASP A 57 -5.722 14.214 -3.429 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.586 13.853 -4.586 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.621 14.943 -3.044 1.00 1.00 O ATOM 0 H ASP A 57 -5.520 11.361 -2.398 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.575 12.808 -3.988 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.222 13.405 -1.493 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.041 14.538 -2.118 1.00 1.00 H new ATOM 863 N GLU A 58 -1.636 13.135 -2.321 1.00 1.00 N ATOM 864 CA GLU A 58 -0.404 13.002 -1.551 1.00 1.00 C ATOM 865 C GLU A 58 -0.661 13.295 -0.076 1.00 1.00 C ATOM 866 O GLU A 58 -0.003 12.735 0.800 1.00 1.00 O ATOM 867 CB GLU A 58 0.651 13.973 -2.088 1.00 1.00 C ATOM 868 CG GLU A 58 0.991 13.606 -3.535 1.00 1.00 C ATOM 869 CD GLU A 58 1.672 12.243 -3.582 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.194 11.827 -2.562 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.660 11.634 -4.639 1.00 1.00 O ATOM 0 H GLU A 58 -1.629 13.888 -3.009 1.00 1.00 H new ATOM 0 HA GLU A 58 -0.043 11.978 -1.650 1.00 1.00 H new ATOM 0 HB2 GLU A 58 0.278 14.996 -2.039 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.548 13.931 -1.470 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.083 13.589 -4.137 1.00 1.00 H new ATOM 0 HG3 GLU A 58 1.645 14.363 -3.967 1.00 1.00 H new ATOM 878 N ASP A 59 -1.620 14.176 0.189 1.00 1.00 N ATOM 879 CA ASP A 59 -1.952 14.537 1.563 1.00 1.00 C ATOM 880 C ASP A 59 -2.534 13.340 2.305 1.00 1.00 C ATOM 881 O ASP A 59 -2.513 13.290 3.536 1.00 1.00 O ATOM 882 CB ASP A 59 -2.964 15.684 1.570 1.00 1.00 C ATOM 883 CG ASP A 59 -2.290 16.976 1.122 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.070 17.010 1.102 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.002 17.914 0.804 1.00 1.00 O ATOM 0 H ASP A 59 -2.177 14.650 -0.522 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.039 14.854 2.067 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.797 15.449 0.907 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.379 15.808 2.570 1.00 1.00 H new ATOM 890 N LYS A 60 -3.052 12.375 1.552 1.00 1.00 N ATOM 891 CA LYS A 60 -3.627 11.178 2.148 1.00 1.00 C ATOM 892 C LYS A 60 -2.576 10.079 2.263 1.00 1.00 C ATOM 893 O LYS A 60 -2.653 9.219 3.139 1.00 1.00 O ATOM 894 CB LYS A 60 -4.798 10.679 1.300 1.00 1.00 C ATOM 895 CG LYS A 60 -5.680 9.751 2.139 1.00 1.00 C ATOM 896 CD LYS A 60 -6.712 10.581 2.909 1.00 1.00 C ATOM 897 CE LYS A 60 -7.637 9.649 3.688 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.622 10.459 4.458 1.00 1.00 N ATOM 0 H LYS A 60 -3.085 12.399 0.533 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.985 11.430 3.146 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.383 11.524 0.937 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.426 10.149 0.423 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -6.185 9.031 1.494 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -5.066 9.180 2.835 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.208 11.265 3.592 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.292 11.192 2.217 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.157 8.979 3.003 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -7.055 9.024 4.365 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -9.253 9.825 4.989 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.117 11.081 5.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.185 11.037 3.802 1.00 1.00 H new ATOM 912 N ALA A 61 -1.594 10.110 1.366 1.00 1.00 N ATOM 913 CA ALA A 61 -0.532 9.109 1.375 1.00 1.00 C ATOM 914 C ALA A 61 0.752 9.697 1.940 1.00 1.00 C ATOM 915 O ALA A 61 1.837 9.498 1.388 1.00 1.00 O ATOM 916 CB ALA A 61 -0.281 8.606 -0.048 1.00 1.00 C ATOM 0 H ALA A 61 -1.512 10.811 0.630 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.846 8.278 2.006 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.513 7.859 -0.035 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.194 8.159 -0.442 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.017 9.441 -0.682 1.00 1.00 H new ATOM 922 N GLN A 62 0.630 10.429 3.045 1.00 1.00 N ATOM 923 CA GLN A 62 1.789 11.046 3.675 1.00 1.00 C ATOM 924 C GLN A 62 1.993 10.504 5.081 1.00 1.00 C ATOM 925 O GLN A 62 3.125 10.355 5.545 1.00 1.00 O ATOM 926 CB GLN A 62 1.599 12.566 3.734 1.00 1.00 C ATOM 927 CG GLN A 62 0.378 12.894 4.597 1.00 1.00 C ATOM 928 CD GLN A 62 0.086 14.390 4.541 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.626 15.097 3.690 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.746 14.916 5.398 1.00 1.00 N ATOM 0 H GLN A 62 -0.256 10.607 3.519 1.00 1.00 H new ATOM 0 HA GLN A 62 2.671 10.809 3.080 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.489 13.039 4.149 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.465 12.966 2.729 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.488 12.333 4.245 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.558 12.589 5.628 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.192 14.328 6.102 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -0.950 15.915 5.364 1.00 1.00 H new ATOM 939 N ASP A 63 0.889 10.212 5.764 1.00 1.00 N ATOM 940 CA ASP A 63 0.957 9.695 7.125 1.00 1.00 C ATOM 941 C ASP A 63 -0.013 8.538 7.313 1.00 1.00 C ATOM 942 O ASP A 63 -0.822 8.536 8.243 1.00 1.00 O ATOM 943 CB ASP A 63 0.624 10.811 8.120 1.00 1.00 C ATOM 944 CG ASP A 63 0.831 10.316 9.547 1.00 1.00 C ATOM 945 OD1 ASP A 63 1.055 9.128 9.714 1.00 1.00 O ATOM 946 OD2 ASP A 63 0.763 11.132 10.452 1.00 1.00 O ATOM 0 H ASP A 63 -0.057 10.324 5.399 1.00 1.00 H new ATOM 0 HA ASP A 63 1.969 9.333 7.305 1.00 1.00 H new ATOM 0 HB2 ASP A 63 1.257 11.678 7.932 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -0.408 11.134 7.985 1.00 1.00 H new ATOM 951 N ILE A 64 0.069 7.553 6.425 1.00 1.00 N ATOM 952 CA ILE A 64 -0.802 6.389 6.506 1.00 1.00 C ATOM 953 C ILE A 64 -0.175 5.308 7.383 1.00 1.00 C ATOM 954 O ILE A 64 0.998 4.968 7.221 1.00 1.00 O ATOM 955 CB ILE A 64 -1.055 5.824 5.106 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.784 6.873 4.262 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.916 4.562 5.210 1.00 1.00 C ATOM 958 CD1 ILE A 64 -3.130 7.209 4.907 1.00 1.00 C ATOM 0 H ILE A 64 0.726 7.538 5.645 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.748 6.700 6.950 1.00 1.00 H new ATOM 0 HB ILE A 64 -0.104 5.573 4.636 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -1.175 7.773 4.178 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.938 6.497 3.251 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -2.095 4.161 4.213 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.398 3.817 5.813 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.869 4.809 5.678 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.646 7.956 4.304 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.739 6.307 4.968 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.965 7.604 5.910 1.00 1.00 H new ATOM 970 N SER A 65 -0.957 4.775 8.310 1.00 1.00 N ATOM 971 CA SER A 65 -0.478 3.725 9.203 1.00 1.00 C ATOM 972 C SER A 65 -0.044 2.501 8.398 1.00 1.00 C ATOM 973 O SER A 65 0.059 2.554 7.175 1.00 1.00 O ATOM 974 CB SER A 65 -1.571 3.331 10.191 1.00 1.00 C ATOM 975 OG SER A 65 -1.144 3.631 11.512 1.00 1.00 O ATOM 0 H SER A 65 -1.927 5.051 8.465 1.00 1.00 H new ATOM 0 HA SER A 65 0.379 4.108 9.756 1.00 1.00 H new ATOM 0 HB2 SER A 65 -2.492 3.868 9.964 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.791 2.267 10.101 1.00 1.00 H new ATOM 0 HG SER A 65 -1.846 3.380 12.148 1.00 1.00 H new ATOM 981 N THR A 66 0.217 1.404 9.101 1.00 1.00 N ATOM 982 CA THR A 66 0.640 0.170 8.450 1.00 1.00 C ATOM 983 C THR A 66 -0.280 -0.164 7.279 1.00 1.00 C ATOM 984 O THR A 66 -1.124 0.641 6.890 1.00 1.00 O ATOM 985 CB THR A 66 0.634 -0.983 9.453 1.00 1.00 C ATOM 986 OG1 THR A 66 0.855 -2.206 8.767 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.720 -1.033 10.165 1.00 1.00 C ATOM 0 H THR A 66 0.144 1.344 10.117 1.00 1.00 H new ATOM 0 HA THR A 66 1.652 0.313 8.071 1.00 1.00 H new ATOM 0 HB THR A 66 1.424 -0.831 10.188 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.054 -2.767 8.832 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.725 -1.855 10.880 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.889 -0.093 10.691 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.511 -1.186 9.431 1.00 1.00 H new ATOM 995 N ILE A 67 -0.110 -1.357 6.724 1.00 1.00 N ATOM 996 CA ILE A 67 -0.925 -1.788 5.593 1.00 1.00 C ATOM 997 C ILE A 67 -2.402 -1.796 5.971 1.00 1.00 C ATOM 998 O ILE A 67 -3.257 -1.395 5.180 1.00 1.00 O ATOM 999 CB ILE A 67 -0.497 -3.182 5.140 1.00 1.00 C ATOM 1000 CG1 ILE A 67 0.892 -3.110 4.499 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.502 -3.722 4.119 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.455 -4.524 4.340 1.00 1.00 C ATOM 0 H ILE A 67 0.580 -2.041 7.035 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.778 -1.085 4.773 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.464 -3.847 6.003 1.00 1.00 H new ATOM 0 HG12 ILE A 67 0.831 -2.620 3.527 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.559 -2.509 5.117 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.195 -4.717 3.797 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.490 -3.778 4.576 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.538 -3.056 3.257 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.444 -4.473 3.884 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.531 -4.998 5.319 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.792 -5.110 3.704 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.694 -2.274 7.175 1.00 1.00 N ATOM 1015 CA GLN A 68 -4.075 -2.337 7.639 1.00 1.00 C ATOM 1016 C GLN A 68 -4.807 -1.036 7.342 1.00 1.00 C ATOM 1017 O GLN A 68 -5.899 -1.044 6.773 1.00 1.00 O ATOM 1018 CB GLN A 68 -4.102 -2.605 9.149 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.736 -4.067 9.417 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.945 -4.962 9.167 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.643 -5.340 10.109 1.00 1.00 O ATOM 1022 NE2 GLN A 68 -5.241 -5.320 7.949 1.00 1.00 N ATOM 0 H GLN A 68 -2.003 -2.620 7.841 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.578 -3.147 7.111 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.400 -1.945 9.658 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -5.092 -2.388 9.550 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.911 -4.368 8.772 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.394 -4.182 10.446 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.662 -5.006 7.170 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -6.052 -5.914 7.775 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.202 0.081 7.729 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.812 1.384 7.503 1.00 1.00 C ATOM 1033 C GLN A 69 -4.883 1.696 6.013 1.00 1.00 C ATOM 1034 O GLN A 69 -5.887 2.215 5.525 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.000 2.471 8.215 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.712 3.817 8.074 1.00 1.00 C ATOM 1037 CD GLN A 69 -6.037 3.786 8.827 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.143 3.147 9.873 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -7.061 4.444 8.356 1.00 1.00 N ATOM 0 H GLN A 69 -3.296 0.110 8.197 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.825 1.362 7.905 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.882 2.219 9.269 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -2.999 2.531 7.787 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -4.080 4.615 8.465 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -4.888 4.037 7.021 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -6.972 4.973 7.489 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -7.950 4.429 8.855 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.812 1.375 5.295 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.761 1.640 3.863 1.00 1.00 C ATOM 1050 C ALA A 70 -4.942 0.992 3.152 1.00 1.00 C ATOM 1051 O ALA A 70 -5.602 1.622 2.325 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.453 1.095 3.280 1.00 1.00 C ATOM 0 H ALA A 70 -2.975 0.935 5.677 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.810 2.718 3.711 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.420 1.296 2.209 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.607 1.581 3.766 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.400 0.020 3.449 1.00 1.00 H new ATOM 1058 N ALA A 71 -5.207 -0.267 3.482 1.00 1.00 N ATOM 1059 CA ALA A 71 -6.311 -0.988 2.864 1.00 1.00 C ATOM 1060 C ALA A 71 -7.642 -0.318 3.187 1.00 1.00 C ATOM 1061 O ALA A 71 -8.503 -0.177 2.319 1.00 1.00 O ATOM 1062 CB ALA A 71 -6.336 -2.435 3.372 1.00 1.00 C ATOM 0 H ALA A 71 -4.677 -0.805 4.168 1.00 1.00 H new ATOM 0 HA ALA A 71 -6.165 -0.978 1.784 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -7.164 -2.970 2.906 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.397 -2.926 3.117 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.465 -2.438 4.454 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.801 0.099 4.438 1.00 1.00 N ATOM 1069 CA ASP A 72 -9.036 0.747 4.865 1.00 1.00 C ATOM 1070 C ASP A 72 -9.252 2.049 4.109 1.00 1.00 C ATOM 1071 O ASP A 72 -10.361 2.343 3.661 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.983 1.029 6.368 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.277 1.697 6.819 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -11.325 1.101 6.632 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.202 2.795 7.345 1.00 1.00 O ATOM 0 H ASP A 72 -7.097 0.001 5.169 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.868 0.077 4.649 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.834 0.099 6.916 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -8.133 1.672 6.596 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.185 2.828 3.964 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.269 4.101 3.260 1.00 1.00 C ATOM 1082 C VAL A 73 -8.656 3.883 1.801 1.00 1.00 C ATOM 1083 O VAL A 73 -9.493 4.604 1.256 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.925 4.827 3.333 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.984 6.099 2.484 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.622 5.198 4.786 1.00 1.00 C ATOM 0 H VAL A 73 -7.257 2.601 4.323 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.036 4.710 3.738 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.140 4.173 2.954 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -6.026 6.616 2.536 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -7.198 5.836 1.448 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.770 6.753 2.862 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.664 5.715 4.837 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.408 5.851 5.166 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.578 4.292 5.391 1.00 1.00 H new ATOM 1096 N ILE A 74 -8.036 2.892 1.173 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.318 2.588 -0.226 1.00 1.00 C ATOM 1098 C ILE A 74 -9.773 2.176 -0.405 1.00 1.00 C ATOM 1099 O ILE A 74 -10.435 2.593 -1.356 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.397 1.477 -0.718 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.983 2.028 -0.919 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.922 0.919 -2.044 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.980 0.873 -0.948 1.00 1.00 C ATOM 0 H ILE A 74 -7.338 2.287 1.606 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.138 3.487 -0.815 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.371 0.680 0.025 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.931 2.592 -1.851 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.734 2.719 -0.114 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.261 0.125 -2.392 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.925 0.518 -1.898 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.954 1.716 -2.787 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.974 1.268 -1.091 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -5.025 0.328 -0.005 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.225 0.199 -1.769 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.260 1.344 0.508 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.643 0.882 0.446 1.00 1.00 C ATOM 1117 C GLU A 75 -12.592 2.063 0.271 1.00 1.00 C ATOM 1118 O GLU A 75 -13.569 1.979 -0.474 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.997 0.121 1.724 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.425 -1.295 1.651 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.713 -2.041 2.949 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.231 -1.422 3.864 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.409 -3.219 3.010 1.00 1.00 O ATOM 0 H GLU A 75 -9.724 0.977 1.294 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.748 0.216 -0.411 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.595 0.642 2.593 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -13.079 0.081 1.848 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.864 -1.830 0.809 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.350 -1.253 1.477 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.303 3.157 0.967 1.00 1.00 N ATOM 1131 CA GLY A 76 -13.133 4.351 0.873 1.00 1.00 C ATOM 1132 C GLY A 76 -12.983 5.011 -0.495 1.00 1.00 C ATOM 1133 O GLY A 76 -13.963 5.456 -1.093 1.00 1.00 O ATOM 0 H GLY A 76 -11.506 3.241 1.598 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -14.177 4.087 1.042 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.852 5.057 1.655 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.750 5.073 -0.984 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.477 5.679 -2.285 1.00 1.00 C ATOM 1139 C LEU A 77 -12.147 4.880 -3.397 1.00 1.00 C ATOM 1140 O LEU A 77 -12.655 5.447 -4.364 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.973 5.744 -2.527 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.345 6.767 -1.576 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.820 6.634 -1.620 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.747 8.179 -2.008 1.00 1.00 C ATOM 0 H LEU A 77 -10.926 4.713 -0.503 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.883 6.690 -2.288 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.526 4.763 -2.369 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.772 6.023 -3.562 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.697 6.584 -0.561 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.372 7.362 -0.944 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.533 5.628 -1.313 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.468 6.817 -2.635 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.300 8.908 -1.331 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.395 8.363 -3.023 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.832 8.274 -1.978 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.136 3.559 -3.256 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.753 2.689 -4.250 1.00 1.00 C ATOM 1158 C LEU A 78 -14.249 2.971 -4.348 1.00 1.00 C ATOM 1159 O LEU A 78 -14.864 2.759 -5.396 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.532 1.223 -3.871 1.00 1.00 C ATOM 1161 CG LEU A 78 -11.120 0.799 -4.280 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.733 -0.479 -3.535 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -11.084 0.539 -5.790 1.00 1.00 C ATOM 0 H LEU A 78 -11.710 3.070 -2.469 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.291 2.886 -5.217 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.667 1.089 -2.798 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.271 0.593 -4.366 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.416 1.592 -4.029 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.727 -0.780 -3.827 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.759 -0.296 -2.461 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.436 -1.273 -3.785 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -10.079 0.237 -6.083 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.789 -0.254 -6.040 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.359 1.449 -6.323 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.834 3.436 -3.250 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.257 3.734 -3.229 1.00 1.00 C ATOM 1177 C GLU A 79 -16.503 5.230 -3.382 1.00 1.00 C ATOM 1178 O GLU A 79 -17.428 5.651 -4.077 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.865 3.258 -1.899 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.511 1.787 -1.675 1.00 1.00 C ATOM 1181 CD GLU A 79 -17.310 0.905 -2.626 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -18.319 1.371 -3.128 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.906 -0.228 -2.834 1.00 1.00 O ATOM 0 H GLU A 79 -14.348 3.613 -2.371 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.727 3.214 -4.064 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.486 3.864 -1.076 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.948 3.384 -1.916 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.444 1.633 -1.835 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -16.723 1.507 -0.643 1.00 1.00 H new ATOM 1190 N LYS A 80 -15.668 6.032 -2.728 1.00 1.00 N ATOM 1191 CA LYS A 80 -15.817 7.476 -2.773 1.00 1.00 C ATOM 1192 C LYS A 80 -15.096 8.076 -3.961 1.00 1.00 C ATOM 1193 O LYS A 80 -15.325 7.677 -5.104 1.00 1.00 O ATOM 1194 CB LYS A 80 -15.285 8.098 -1.474 1.00 1.00 C ATOM 1195 CG LYS A 80 -16.167 7.683 -0.297 1.00 1.00 C ATOM 1196 CD LYS A 80 -17.582 8.241 -0.495 1.00 1.00 C ATOM 1197 CE LYS A 80 -18.494 7.147 -1.064 1.00 1.00 C ATOM 1198 NZ LYS A 80 -19.492 6.749 -0.039 1.00 1.00 N ATOM 0 H LYS A 80 -14.885 5.704 -2.163 1.00 1.00 H new ATOM 0 HA LYS A 80 -16.879 7.697 -2.879 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -14.258 7.776 -1.301 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -15.268 9.184 -1.561 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -16.201 6.596 -0.220 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -15.745 8.056 0.636 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -17.978 8.600 0.455 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -17.555 9.094 -1.172 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -19.001 7.510 -1.958 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -17.900 6.283 -1.363 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -20.110 6.007 -0.426 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -19.000 6.386 0.802 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -20.066 7.575 0.225 1.00 1.00 H new ATOM 1212 N LYS A 81 -14.217 9.037 -3.696 1.00 1.00 N ATOM 1213 CA LYS A 81 -13.486 9.711 -4.757 1.00 1.00 C ATOM 1214 C LYS A 81 -12.146 10.226 -4.258 1.00 1.00 C ATOM 1215 O LYS A 81 -11.127 9.555 -4.397 1.00 1.00 O ATOM 1216 CB LYS A 81 -14.321 10.891 -5.287 1.00 1.00 C ATOM 1217 CG LYS A 81 -15.325 10.387 -6.326 1.00 1.00 C ATOM 1218 CD LYS A 81 -16.093 11.572 -6.912 1.00 1.00 C ATOM 1219 CE LYS A 81 -17.082 11.068 -7.965 1.00 1.00 C ATOM 1220 NZ LYS A 81 -17.812 12.225 -8.554 1.00 1.00 N ATOM 0 H LYS A 81 -13.995 9.365 -2.756 1.00 1.00 H new ATOM 0 HA LYS A 81 -13.303 8.993 -5.556 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -14.847 11.375 -4.464 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -13.667 11.641 -5.733 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -14.805 9.850 -7.119 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -16.018 9.683 -5.866 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -16.625 12.101 -6.121 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -15.399 12.283 -7.360 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -16.552 10.523 -8.746 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -17.788 10.371 -7.513 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -18.484 11.883 -9.270 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -18.330 12.727 -7.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -17.132 12.874 -8.999 1.00 1.00 H new ATOM 1234 N ALA A 82 -12.153 11.422 -3.675 1.00 1.00 N ATOM 1235 CA ALA A 82 -10.926 12.014 -3.156 1.00 1.00 C ATOM 1236 C ALA A 82 -11.242 13.043 -2.076 1.00 1.00 C ATOM 1237 O ALA A 82 -11.135 12.700 -0.911 1.00 1.00 O ATOM 1238 CB ALA A 82 -10.150 12.685 -4.292 1.00 1.00 C ATOM 1239 OXT ALA A 82 -11.584 14.158 -2.431 1.00 1.00 O ATOM 0 H ALA A 82 -12.988 11.995 -3.551 1.00 1.00 H new ATOM 0 HA ALA A 82 -10.319 11.221 -2.719 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -9.234 13.125 -3.897 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -9.898 11.942 -5.049 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -10.764 13.466 -4.740 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 16.591 3.929 -0.250 1.00 1.00 O HETATM 1247 P24 PNS A 101 17.547 4.433 -1.443 1.00 1.00 P HETATM 1248 O25 PNS A 101 18.813 3.671 -1.375 1.00 1.00 O HETATM 1249 O26 PNS A 101 17.573 5.913 -1.423 1.00 1.00 O HETATM 1250 O27 PNS A 101 16.745 3.961 -2.758 1.00 1.00 O HETATM 1251 C28 PNS A 101 16.994 4.581 -4.012 1.00 1.00 C HETATM 1252 C29 PNS A 101 16.020 4.021 -5.054 1.00 1.00 C HETATM 1253 C30 PNS A 101 16.370 4.580 -6.436 1.00 1.00 C HETATM 1254 C31 PNS A 101 14.592 4.429 -4.679 1.00 1.00 C HETATM 1255 C32 PNS A 101 16.129 2.500 -5.099 1.00 1.00 C HETATM 1256 O33 PNS A 101 15.738 1.976 -3.836 1.00 1.00 O HETATM 1257 C34 PNS A 101 15.215 1.938 -6.184 1.00 1.00 C HETATM 1258 O35 PNS A 101 15.642 1.728 -7.319 1.00 1.00 O HETATM 1259 N36 PNS A 101 13.959 1.698 -5.827 1.00 1.00 N HETATM 1260 C37 PNS A 101 12.994 1.161 -6.780 1.00 1.00 C HETATM 1261 C38 PNS A 101 13.306 -0.306 -7.081 1.00 1.00 C HETATM 1262 C39 PNS A 101 13.367 -1.103 -5.781 1.00 1.00 C HETATM 1263 O40 PNS A 101 14.163 -2.032 -5.648 1.00 1.00 O HETATM 1264 N41 PNS A 101 12.522 -0.732 -4.825 1.00 1.00 N HETATM 1265 C42 PNS A 101 12.488 -1.418 -3.540 1.00 1.00 C HETATM 1266 C43 PNS A 101 13.822 -1.244 -2.812 1.00 1.00 C HETATM 1267 S44 PNS A 101 13.592 -1.543 -1.063 1.00 1.00 S HETATM 0 H432 PNS A 101 14.561 -1.936 -3.216 1.00 1.00 H new HETATM 0 H431 PNS A 101 14.207 -0.237 -2.972 1.00 1.00 H new HETATM 0 H422 PNS A 101 12.283 -2.478 -3.691 1.00 1.00 H new HETATM 0 H421 PNS A 101 11.678 -1.021 -2.929 1.00 1.00 H new HETATM 0 H382 PNS A 101 14.256 -0.383 -7.610 1.00 1.00 H new HETATM 0 H381 PNS A 101 12.541 -0.722 -7.737 1.00 1.00 H new HETATM 0 H372 PNS A 101 13.021 1.742 -7.702 1.00 1.00 H new HETATM 0 H371 PNS A 101 11.986 1.250 -6.376 1.00 1.00 H new HETATM 0 H313 PNS A 101 13.895 4.033 -5.417 1.00 1.00 H new HETATM 0 H312 PNS A 101 14.518 5.516 -4.657 1.00 1.00 H new HETATM 0 H311 PNS A 101 14.346 4.028 -3.696 1.00 1.00 H new HETATM 0 H303 PNS A 101 15.677 4.181 -7.176 1.00 1.00 H new HETATM 0 H302 PNS A 101 17.387 4.290 -6.699 1.00 1.00 H new HETATM 0 H301 PNS A 101 16.296 5.667 -6.418 1.00 1.00 H new HETATM 0 H282 PNS A 101 18.023 4.399 -4.323 1.00 1.00 H new HETATM 0 H281 PNS A 101 16.873 5.661 -3.927 1.00 1.00 H new HETATM 0 H41 PNS A 101 11.886 0.047 -4.994 1.00 1.00 H new HETATM 0 H36 PNS A 101 13.664 1.892 -4.870 1.00 1.00 H new HETATM 0 H33 PNS A 101 16.192 2.471 -3.122 1.00 1.00 H new HETATM 0 H32 PNS A 101 17.157 2.217 -5.324 1.00 1.00 H new HETATM 1288 C1 STE A 102 13.593 -0.134 -0.042 1.00 1.00 C HETATM 1289 O1 STE A 102 13.739 0.990 -0.462 1.00 1.00 O HETATM 1290 C2 STE A 102 13.394 -0.494 1.401 1.00 1.00 C HETATM 1291 C3 STE A 102 11.901 -0.524 1.733 1.00 1.00 C HETATM 1292 C4 STE A 102 11.359 0.905 1.772 1.00 1.00 C HETATM 1293 C5 STE A 102 9.829 0.871 1.803 1.00 1.00 C HETATM 1294 C6 STE A 102 9.291 2.281 2.045 1.00 1.00 C HETATM 1295 C7 STE A 102 7.804 2.330 1.687 1.00 1.00 C HETATM 1296 C8 STE A 102 7.213 3.663 2.141 1.00 1.00 C HETATM 1297 C9 STE A 102 5.697 3.651 1.927 1.00 1.00 C HETATM 1298 C10 STE A 102 5.093 4.947 2.473 1.00 1.00 C HETATM 1299 C11 STE A 102 3.642 4.697 2.894 1.00 1.00 C HETATM 1300 C12 STE A 102 2.812 4.321 1.665 1.00 1.00 C HETATM 1301 C13 STE A 102 1.340 4.209 2.061 1.00 1.00 C HETATM 1302 C14 STE A 102 0.463 4.327 0.811 1.00 1.00 C HETATM 1303 C15 STE A 102 -0.989 4.023 1.174 1.00 1.00 C HETATM 1304 C16 STE A 102 -1.922 4.668 0.143 1.00 1.00 C HETATM 1305 C17 STE A 102 -3.353 4.186 0.376 1.00 1.00 C HETATM 1306 C18 STE A 102 -4.337 5.215 -0.185 1.00 1.00 C HETATM 0 H183 STE A 102 -4.190 6.171 0.318 1.00 1.00 H new HETATM 0 H182 STE A 102 -4.165 5.337 -1.254 1.00 1.00 H new HETATM 0 H181 STE A 102 -5.358 4.871 -0.019 1.00 1.00 H new HETATM 0 H172 STE A 102 -3.506 3.221 -0.106 1.00 1.00 H new HETATM 0 H171 STE A 102 -3.530 4.041 1.442 1.00 1.00 H new HETATM 0 H162 STE A 102 -1.875 5.754 0.224 1.00 1.00 H new HETATM 0 H161 STE A 102 -1.600 4.410 -0.866 1.00 1.00 H new HETATM 0 H152 STE A 102 -1.150 2.945 1.201 1.00 1.00 H new HETATM 0 H151 STE A 102 -1.213 4.404 2.171 1.00 1.00 H new HETATM 0 H142 STE A 102 0.541 5.330 0.393 1.00 1.00 H new HETATM 0 H141 STE A 102 0.810 3.634 0.044 1.00 1.00 H new HETATM 0 H132 STE A 102 1.158 3.256 2.557 1.00 1.00 H new HETATM 0 H131 STE A 102 1.084 4.993 2.773 1.00 1.00 H new HETATM 0 H122 STE A 102 2.934 5.074 0.886 1.00 1.00 H new HETATM 0 H121 STE A 102 3.162 3.375 1.252 1.00 1.00 H new HETATM 0 H112 STE A 102 3.599 3.897 3.633 1.00 1.00 H new HETATM 0 H111 STE A 102 3.230 5.589 3.365 1.00 1.00 H new HETATM 0 H102 STE A 102 5.674 5.301 3.325 1.00 1.00 H new HETATM 0 H101 STE A 102 5.133 5.728 1.713 1.00 1.00 H new HETATM 0 H92 STE A 102 5.470 3.551 0.866 1.00 1.00 H new HETATM 0 H91 STE A 102 5.255 2.791 2.430 1.00 1.00 H new HETATM 0 H82 STE A 102 7.441 3.834 3.193 1.00 1.00 H new HETATM 0 H81 STE A 102 7.663 4.482 1.580 1.00 1.00 H new HETATM 0 H72 STE A 102 7.674 2.210 0.611 1.00 1.00 H new HETATM 0 H71 STE A 102 7.277 1.505 2.166 1.00 1.00 H new HETATM 0 H62 STE A 102 9.434 2.562 3.088 1.00 1.00 H new HETATM 0 H61 STE A 102 9.845 3.001 1.442 1.00 1.00 H new HETATM 0 H52 STE A 102 9.444 0.481 0.861 1.00 1.00 H new HETATM 0 H51 STE A 102 9.486 0.200 2.590 1.00 1.00 H new HETATM 0 H42 STE A 102 11.739 1.426 2.651 1.00 1.00 H new HETATM 0 H41 STE A 102 11.703 1.460 0.899 1.00 1.00 H new HETATM 0 H32 STE A 102 11.363 -1.108 0.986 1.00 1.00 H new HETATM 0 H31 STE A 102 11.741 -1.011 2.695 1.00 1.00 H new HETATM 0 H22 STE A 102 13.840 -1.467 1.606 1.00 1.00 H new HETATM 0 H21 STE A 102 13.902 0.230 2.038 1.00 1.00 H new