USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 725 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 82 CYS SG : rot 20:sc= -5.62! USER MOD Set 1.2: A 86 THR OG1 : rot 90:sc= 0.846 USER MOD Set 2.1: A 69 MET CE :methyl -170:sc= -3.46 (180deg=-0.618) USER MOD Set 2.2: A 79 CYS SG : rot -150:sc= -2.39 USER MOD Set 3.1: A 74 THR OG1 : rot 103:sc= 1.16 USER MOD Set 3.2: A 78 SER OG : rot 137:sc= 0.465! USER MOD Set 4.1: A 11 MET CE :methyl -110:sc= -0.653 (180deg=-1.86!) USER MOD Set 4.2: A 65 TYR OH : rot 30:sc= -1.16 USER MOD Set 5.1: A 44 GLN : amide:sc= -0.966 X(o=-1.3,f=-1.1) USER MOD Set 5.2: A 48 THR OG1 : rot 129:sc= -1.31 USER MOD Set 5.3: A 51 CYS SG : rot -150:sc= 0.989 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00023 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.847 K(o=-0.85,f=-0.077) USER MOD Single : A 21 ASN : amide:sc= -6.98! C(o=-7!,f=-6.3!) USER MOD Single : A 22 HIS : no HD1:sc= -3.63! K(o=-3.6!,f=-1.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 84:sc= -0.435! USER MOD Single : A 25 HIS : no HE2:sc= -9.82! C(o=-9.8!,f=-16!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -2.03 X(o=-2,f=-1.9) USER MOD Single : A 35 HIS : no HD1:sc= -4.93! C(o=-4.9!,f=-5.1!) USER MOD Single : A 43 TYR OH : rot 31:sc= 0.878 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.137 (180deg=-0.205) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0284 USER MOD Single : A 52 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.31) USER MOD Single : A 54 ASN : amide:sc= -1.01 K(o=-1,f=-0.067) USER MOD Single : A 55 MET CE :methyl 163:sc= -8.73! (180deg=-9.84!) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.167 (180deg=-0.473) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= 0.0817 (180deg=0.00224) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -12.1! C(o=-12!,f=-19!) USER MOD Single : A 70 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-13!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HE2:sc= -3.79! C(o=-3.8!,f=-14!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -147:sc= -0.0443 (180deg=-0.667) USER MOD Single : A 95 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0719) USER MOD Single : A 98 THR OG1 : rot 16:sc= 0.463 USER MOD Single : A 100 CYS SG : rot 180:sc= 0.196 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -141:sc= 0.857! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot 180:sc= -0.255 USER MOD Single : A 106 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-1.1) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N PRO A 2 17.626 12.377 2.957 1.00 0.00 N ATOM 14 CA PRO A 2 16.433 12.237 3.827 1.00 0.00 C ATOM 15 C PRO A 2 16.705 11.251 4.960 1.00 0.00 C ATOM 16 O PRO A 2 17.317 10.219 4.764 1.00 0.00 O ATOM 17 CB PRO A 2 15.365 11.685 2.890 1.00 0.00 C ATOM 18 CG PRO A 2 16.122 11.002 1.796 1.00 0.00 C ATOM 19 CD PRO A 2 17.447 11.709 1.664 1.00 0.00 C ATOM 0 HA PRO A 2 16.143 13.176 4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.707 10.988 3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.736 12.483 2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.270 9.948 2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.567 11.046 0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.256 11.006 1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.436 12.426 0.843 1.00 0.00 H new ATOM 27 N LYS A 3 16.245 11.550 6.141 1.00 0.00 N ATOM 28 CA LYS A 3 16.469 10.615 7.274 1.00 0.00 C ATOM 29 C LYS A 3 15.209 9.798 7.526 1.00 0.00 C ATOM 30 O LYS A 3 14.363 10.158 8.321 1.00 0.00 O ATOM 31 CB LYS A 3 16.771 11.491 8.477 1.00 0.00 C ATOM 32 CG LYS A 3 17.814 12.544 8.103 1.00 0.00 C ATOM 33 CD LYS A 3 19.191 11.887 8.003 1.00 0.00 C ATOM 34 CE LYS A 3 20.127 12.500 9.048 1.00 0.00 C ATOM 35 NZ LYS A 3 21.501 12.215 8.547 1.00 0.00 N ATOM 0 H LYS A 3 15.726 12.398 6.370 1.00 0.00 H new ATOM 0 HA LYS A 3 17.281 9.917 7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.859 11.977 8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.138 10.879 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 3 17.552 13.009 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.831 13.336 8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 3 19.105 10.812 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 3 19.602 12.029 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.958 13.572 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.965 12.058 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 22.200 12.605 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 21.635 11.187 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 21.628 12.654 7.613 1.00 0.00 H new ATOM 49 N ALA A 4 15.083 8.702 6.849 1.00 0.00 N ATOM 50 CA ALA A 4 13.882 7.837 7.027 1.00 0.00 C ATOM 51 C ALA A 4 13.491 7.785 8.506 1.00 0.00 C ATOM 52 O ALA A 4 14.338 7.673 9.370 1.00 0.00 O ATOM 53 CB ALA A 4 14.311 6.454 6.536 1.00 0.00 C ATOM 0 H ALA A 4 15.764 8.359 6.171 1.00 0.00 H new ATOM 0 HA ALA A 4 13.017 8.210 6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.478 5.758 6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.609 6.516 5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.152 6.101 7.133 1.00 0.00 H new ATOM 59 N PRO A 5 12.212 7.875 8.745 1.00 0.00 N ATOM 60 CA PRO A 5 11.697 7.846 10.129 1.00 0.00 C ATOM 61 C PRO A 5 11.678 6.420 10.673 1.00 0.00 C ATOM 62 O PRO A 5 11.723 5.455 9.935 1.00 0.00 O ATOM 63 CB PRO A 5 10.289 8.415 10.003 1.00 0.00 C ATOM 64 CG PRO A 5 9.881 8.185 8.578 1.00 0.00 C ATOM 65 CD PRO A 5 11.138 8.009 7.757 1.00 0.00 C ATOM 0 HA PRO A 5 12.314 8.414 10.825 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.604 7.919 10.691 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.273 9.477 10.248 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.248 7.301 8.500 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.298 9.028 8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.074 7.127 7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.306 8.864 7.102 1.00 0.00 H new ATOM 73 N ALA A 6 11.621 6.285 11.967 1.00 0.00 N ATOM 74 CA ALA A 6 11.610 4.934 12.582 1.00 0.00 C ATOM 75 C ALA A 6 10.498 4.083 11.976 1.00 0.00 C ATOM 76 O ALA A 6 9.450 4.573 11.605 1.00 0.00 O ATOM 77 CB ALA A 6 11.351 5.175 14.067 1.00 0.00 C ATOM 0 H ALA A 6 11.581 7.060 12.629 1.00 0.00 H new ATOM 0 HA ALA A 6 12.544 4.399 12.413 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.328 4.220 14.592 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.146 5.797 14.479 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.393 5.680 14.192 1.00 0.00 H new ATOM 83 N ASP A 7 10.724 2.810 11.885 1.00 0.00 N ATOM 84 CA ASP A 7 9.690 1.902 11.317 1.00 0.00 C ATOM 85 C ASP A 7 8.400 2.019 12.128 1.00 0.00 C ATOM 86 O ASP A 7 8.248 2.903 12.950 1.00 0.00 O ATOM 87 CB ASP A 7 10.282 0.497 11.450 1.00 0.00 C ATOM 88 CG ASP A 7 11.741 0.508 10.990 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.005 1.065 9.937 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.569 -0.039 11.698 1.00 0.00 O ATOM 0 H ASP A 7 11.586 2.352 12.181 1.00 0.00 H new ATOM 0 HA ASP A 7 9.444 2.142 10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.219 0.162 12.485 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.707 -0.209 10.851 1.00 0.00 H new ATOM 95 N GLY A 8 7.475 1.131 11.912 1.00 0.00 N ATOM 96 CA GLY A 8 6.197 1.180 12.674 1.00 0.00 C ATOM 97 C GLY A 8 5.390 2.416 12.278 1.00 0.00 C ATOM 98 O GLY A 8 4.470 2.810 12.966 1.00 0.00 O ATOM 0 H GLY A 8 7.548 0.369 11.238 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.615 0.279 12.479 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.404 1.200 13.744 1.00 0.00 H new ATOM 102 N LEU A 9 5.711 3.029 11.172 1.00 0.00 N ATOM 103 CA LEU A 9 4.936 4.228 10.748 1.00 0.00 C ATOM 104 C LEU A 9 3.485 3.830 10.530 1.00 0.00 C ATOM 105 O LEU A 9 3.186 2.935 9.771 1.00 0.00 O ATOM 106 CB LEU A 9 5.560 4.689 9.434 1.00 0.00 C ATOM 107 CG LEU A 9 5.778 6.200 9.487 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.024 6.554 8.679 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.569 6.926 8.890 1.00 0.00 C ATOM 0 H LEU A 9 6.470 2.754 10.548 1.00 0.00 H new ATOM 0 HA LEU A 9 4.962 5.021 11.495 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.508 4.178 9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.909 4.432 8.598 1.00 0.00 H new ATOM 0 HG LEU A 9 5.904 6.508 10.525 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.185 7.631 8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.889 6.044 9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.888 6.240 7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.734 8.003 8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.437 6.620 7.852 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.675 6.673 9.460 1.00 0.00 H new ATOM 121 N LYS A 10 2.578 4.475 11.194 1.00 0.00 N ATOM 122 CA LYS A 10 1.149 4.101 11.018 1.00 0.00 C ATOM 123 C LYS A 10 0.434 5.079 10.090 1.00 0.00 C ATOM 124 O LYS A 10 0.218 6.228 10.420 1.00 0.00 O ATOM 125 CB LYS A 10 0.539 4.152 12.413 1.00 0.00 C ATOM 126 CG LYS A 10 0.348 2.726 12.934 1.00 0.00 C ATOM 127 CD LYS A 10 -0.796 2.701 13.949 1.00 0.00 C ATOM 128 CE LYS A 10 -0.337 1.982 15.219 1.00 0.00 C ATOM 129 NZ LYS A 10 -1.554 1.892 16.072 1.00 0.00 N ATOM 0 H LYS A 10 2.757 5.239 11.846 1.00 0.00 H new ATOM 0 HA LYS A 10 1.051 3.115 10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.187 4.713 13.086 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.418 4.672 12.385 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.128 2.052 12.106 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.268 2.371 13.399 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.107 3.718 14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.662 2.194 13.524 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.059 0.992 14.991 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.457 2.535 15.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.319 1.410 16.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.905 2.849 16.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.290 1.354 15.571 1.00 0.00 H new ATOM 143 N MET A 11 0.043 4.612 8.942 1.00 0.00 N ATOM 144 CA MET A 11 -0.692 5.490 7.988 1.00 0.00 C ATOM 145 C MET A 11 -2.183 5.404 8.302 1.00 0.00 C ATOM 146 O MET A 11 -2.840 4.442 7.966 1.00 0.00 O ATOM 147 CB MET A 11 -0.396 4.934 6.589 1.00 0.00 C ATOM 148 CG MET A 11 -0.431 3.408 6.612 1.00 0.00 C ATOM 149 SD MET A 11 1.262 2.765 6.630 1.00 0.00 S ATOM 150 CE MET A 11 1.596 2.967 4.863 1.00 0.00 C ATOM 0 H MET A 11 0.200 3.657 8.619 1.00 0.00 H new ATOM 0 HA MET A 11 -0.390 6.535 8.056 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.130 5.311 5.877 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.582 5.278 6.252 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.973 3.059 7.491 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.965 3.033 5.739 1.00 0.00 H new ATOM 0 HE1 MET A 11 1.650 1.987 4.389 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.795 3.548 4.405 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.544 3.487 4.729 1.00 0.00 H new ATOM 160 N ASP A 12 -2.715 6.391 8.963 1.00 0.00 N ATOM 161 CA ASP A 12 -4.166 6.350 9.318 1.00 0.00 C ATOM 162 C ASP A 12 -4.969 7.272 8.410 1.00 0.00 C ATOM 163 O ASP A 12 -6.058 7.698 8.743 1.00 0.00 O ATOM 164 CB ASP A 12 -4.236 6.830 10.761 1.00 0.00 C ATOM 165 CG ASP A 12 -3.327 8.046 10.951 1.00 0.00 C ATOM 166 OD1 ASP A 12 -2.138 7.847 11.135 1.00 0.00 O ATOM 167 OD2 ASP A 12 -3.836 9.154 10.909 1.00 0.00 O ATOM 0 H ASP A 12 -2.214 7.223 9.274 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.585 5.351 9.198 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.263 7.089 11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.932 6.029 11.435 1.00 0.00 H new ATOM 172 N LYS A 13 -4.448 7.574 7.265 1.00 0.00 N ATOM 173 CA LYS A 13 -5.180 8.459 6.324 1.00 0.00 C ATOM 174 C LYS A 13 -6.618 7.967 6.160 1.00 0.00 C ATOM 175 O LYS A 13 -7.530 8.734 5.926 1.00 0.00 O ATOM 176 CB LYS A 13 -4.424 8.318 5.010 1.00 0.00 C ATOM 177 CG LYS A 13 -3.092 9.061 5.106 1.00 0.00 C ATOM 178 CD LYS A 13 -3.350 10.564 5.232 1.00 0.00 C ATOM 179 CE LYS A 13 -2.019 11.300 5.391 1.00 0.00 C ATOM 180 NZ LYS A 13 -1.863 11.495 6.859 1.00 0.00 N ATOM 0 H LYS A 13 -3.541 7.246 6.934 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.230 9.492 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.250 7.265 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.019 8.721 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.527 8.705 5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.487 8.859 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.876 10.928 4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.992 10.763 6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.194 10.718 4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.030 12.254 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.971 11.995 7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.659 12.058 7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.850 10.569 7.333 1.00 0.00 H new ATOM 194 N THR A 14 -6.818 6.686 6.278 1.00 0.00 N ATOM 195 CA THR A 14 -8.193 6.119 6.127 1.00 0.00 C ATOM 196 C THR A 14 -8.637 5.436 7.424 1.00 0.00 C ATOM 197 O THR A 14 -7.880 5.312 8.365 1.00 0.00 O ATOM 198 CB THR A 14 -8.080 5.093 4.998 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.980 4.232 5.250 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.872 5.815 3.667 1.00 0.00 C ATOM 0 H THR A 14 -6.088 6.001 6.473 1.00 0.00 H new ATOM 0 HA THR A 14 -8.930 6.891 5.907 1.00 0.00 H new ATOM 0 HB THR A 14 -8.997 4.505 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.908 3.573 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.792 5.082 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.719 6.473 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.957 6.405 3.712 1.00 0.00 H new ATOM 208 N LYS A 15 -9.863 4.985 7.474 1.00 0.00 N ATOM 209 CA LYS A 15 -10.359 4.302 8.703 1.00 0.00 C ATOM 210 C LYS A 15 -9.513 3.058 8.977 1.00 0.00 C ATOM 211 O LYS A 15 -9.439 2.574 10.089 1.00 0.00 O ATOM 212 CB LYS A 15 -11.803 3.912 8.387 1.00 0.00 C ATOM 213 CG LYS A 15 -12.757 4.918 9.033 1.00 0.00 C ATOM 214 CD LYS A 15 -13.685 5.501 7.966 1.00 0.00 C ATOM 215 CE LYS A 15 -14.683 6.457 8.623 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.447 7.053 7.492 1.00 0.00 N ATOM 0 H LYS A 15 -10.542 5.061 6.716 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.298 4.936 9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.957 3.890 7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.009 2.908 8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.343 4.431 9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.190 5.716 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.102 6.029 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.217 4.699 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.343 5.928 9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.171 7.226 9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.152 7.721 7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.793 7.556 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.929 6.299 6.963 1.00 0.00 H new ATOM 230 N GLN A 16 -8.867 2.546 7.967 1.00 0.00 N ATOM 231 CA GLN A 16 -8.012 1.340 8.157 1.00 0.00 C ATOM 232 C GLN A 16 -6.540 1.758 8.155 1.00 0.00 C ATOM 233 O GLN A 16 -5.869 1.662 7.148 1.00 0.00 O ATOM 234 CB GLN A 16 -8.321 0.440 6.960 1.00 0.00 C ATOM 235 CG GLN A 16 -9.783 -0.007 7.022 1.00 0.00 C ATOM 236 CD GLN A 16 -9.857 -1.446 7.535 1.00 0.00 C ATOM 237 OE1 GLN A 16 -10.775 -2.172 7.212 1.00 0.00 O ATOM 238 NE2 GLN A 16 -8.921 -1.891 8.328 1.00 0.00 N ATOM 0 H GLN A 16 -8.894 2.911 7.015 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.205 0.829 9.100 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.133 0.976 6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.663 -0.429 6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.348 0.654 7.679 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.237 0.061 6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.150 -1.281 8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.961 -2.849 8.676 1.00 0.00 H new ATOM 247 N PRO A 17 -6.094 2.221 9.291 1.00 0.00 N ATOM 248 CA PRO A 17 -4.688 2.681 9.434 1.00 0.00 C ATOM 249 C PRO A 17 -3.710 1.513 9.301 1.00 0.00 C ATOM 250 O PRO A 17 -3.892 0.461 9.880 1.00 0.00 O ATOM 251 CB PRO A 17 -4.651 3.279 10.840 1.00 0.00 C ATOM 252 CG PRO A 17 -5.769 2.608 11.566 1.00 0.00 C ATOM 253 CD PRO A 17 -6.844 2.355 10.543 1.00 0.00 C ATOM 0 HA PRO A 17 -4.393 3.394 8.664 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.694 3.090 11.326 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.788 4.360 10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.434 1.674 12.018 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.141 3.238 12.374 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.411 1.452 10.771 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.558 3.177 10.498 1.00 0.00 H new ATOM 261 N VAL A 18 -2.672 1.698 8.532 1.00 0.00 N ATOM 262 CA VAL A 18 -1.671 0.617 8.340 1.00 0.00 C ATOM 263 C VAL A 18 -0.319 1.031 8.930 1.00 0.00 C ATOM 264 O VAL A 18 -0.026 2.201 9.078 1.00 0.00 O ATOM 265 CB VAL A 18 -1.569 0.462 6.825 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.311 -0.328 6.478 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.800 -0.286 6.306 1.00 0.00 C ATOM 0 H VAL A 18 -2.475 2.561 8.025 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.956 -0.311 8.835 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.519 1.447 6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.238 -0.439 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.566 0.203 6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.361 -1.313 6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.729 -0.397 5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.849 -1.271 6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.700 0.277 6.554 1.00 0.00 H new ATOM 277 N VAL A 19 0.508 0.081 9.270 1.00 0.00 N ATOM 278 CA VAL A 19 1.840 0.420 9.847 1.00 0.00 C ATOM 279 C VAL A 19 2.948 0.123 8.832 1.00 0.00 C ATOM 280 O VAL A 19 3.136 -1.005 8.420 1.00 0.00 O ATOM 281 CB VAL A 19 1.980 -0.489 11.069 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.370 -0.309 11.682 1.00 0.00 C ATOM 283 CG2 VAL A 19 0.916 -0.121 12.104 1.00 0.00 C ATOM 0 H VAL A 19 0.319 -0.917 9.173 1.00 0.00 H new ATOM 0 HA VAL A 19 1.922 1.475 10.108 1.00 0.00 H new ATOM 0 HB VAL A 19 1.848 -1.527 10.765 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.470 -0.957 12.553 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.129 -0.571 10.945 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.502 0.730 11.985 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.016 -0.769 12.975 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.048 0.918 12.408 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.075 -0.249 11.668 1.00 0.00 H new ATOM 293 N PHE A 20 3.690 1.121 8.426 1.00 0.00 N ATOM 294 CA PHE A 20 4.784 0.875 7.444 1.00 0.00 C ATOM 295 C PHE A 20 6.137 0.842 8.151 1.00 0.00 C ATOM 296 O PHE A 20 6.571 1.817 8.732 1.00 0.00 O ATOM 297 CB PHE A 20 4.742 2.046 6.459 1.00 0.00 C ATOM 298 CG PHE A 20 5.815 1.836 5.417 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.751 0.725 4.570 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.878 2.740 5.304 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.747 0.519 3.610 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.873 2.533 4.342 1.00 0.00 C ATOM 303 CZ PHE A 20 7.808 1.422 3.496 1.00 0.00 C ATOM 0 H PHE A 20 3.586 2.089 8.730 1.00 0.00 H new ATOM 0 HA PHE A 20 4.653 -0.082 6.940 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.762 2.108 5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.903 2.988 6.984 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.932 0.026 4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.930 3.597 5.959 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.696 -0.339 2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.692 3.232 4.253 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.577 1.261 2.755 1.00 0.00 H new ATOM 313 N ASN A 21 6.814 -0.270 8.098 1.00 0.00 N ATOM 314 CA ASN A 21 8.136 -0.367 8.753 1.00 0.00 C ATOM 315 C ASN A 21 9.237 -0.141 7.713 1.00 0.00 C ATOM 316 O ASN A 21 9.608 -1.042 6.987 1.00 0.00 O ATOM 317 CB ASN A 21 8.180 -1.798 9.273 1.00 0.00 C ATOM 318 CG ASN A 21 8.079 -1.807 10.800 1.00 0.00 C ATOM 319 OD1 ASN A 21 9.059 -2.017 11.485 1.00 0.00 O ATOM 320 ND2 ASN A 21 6.921 -1.593 11.365 1.00 0.00 N ATOM 0 H ASN A 21 6.502 -1.118 7.625 1.00 0.00 H new ATOM 0 HA ASN A 21 8.284 0.369 9.544 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.361 -2.374 8.843 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.107 -2.279 8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.840 -1.602 12.382 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.098 -1.417 10.789 1.00 0.00 H new ATOM 327 N HIS A 22 9.760 1.051 7.628 1.00 0.00 N ATOM 328 CA HIS A 22 10.828 1.316 6.621 1.00 0.00 C ATOM 329 C HIS A 22 11.903 0.229 6.708 1.00 0.00 C ATOM 330 O HIS A 22 12.479 -0.167 5.714 1.00 0.00 O ATOM 331 CB HIS A 22 11.412 2.673 7.007 1.00 0.00 C ATOM 332 CG HIS A 22 10.579 3.783 6.421 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.755 4.576 7.205 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.473 4.283 5.143 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.205 5.506 6.407 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.610 5.375 5.143 1.00 0.00 N ATOM 0 H HIS A 22 9.497 1.848 8.207 1.00 0.00 H new ATOM 0 HA HIS A 22 10.446 1.315 5.600 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.445 2.767 8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.439 2.751 6.649 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.981 3.889 4.275 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.518 6.267 6.747 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.344 5.953 4.346 1.00 0.00 H new ATOM 344 N SER A 23 12.174 -0.260 7.889 1.00 0.00 N ATOM 345 CA SER A 23 13.207 -1.325 8.032 1.00 0.00 C ATOM 346 C SER A 23 12.942 -2.440 7.019 1.00 0.00 C ATOM 347 O SER A 23 13.854 -3.009 6.451 1.00 0.00 O ATOM 348 CB SER A 23 13.046 -1.845 9.459 1.00 0.00 C ATOM 349 OG SER A 23 13.573 -3.162 9.542 1.00 0.00 O ATOM 0 H SER A 23 11.726 0.031 8.758 1.00 0.00 H new ATOM 0 HA SER A 23 14.216 -0.956 7.849 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.565 -1.189 10.158 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.993 -1.844 9.742 1.00 0.00 H new ATOM 0 HG SER A 23 13.472 -3.498 10.457 1.00 0.00 H new ATOM 355 N THR A 24 11.697 -2.750 6.782 1.00 0.00 N ATOM 356 CA THR A 24 11.366 -3.820 5.801 1.00 0.00 C ATOM 357 C THR A 24 11.425 -3.261 4.380 1.00 0.00 C ATOM 358 O THR A 24 11.198 -3.963 3.415 1.00 0.00 O ATOM 359 CB THR A 24 9.941 -4.255 6.148 1.00 0.00 C ATOM 360 OG1 THR A 24 9.514 -3.587 7.327 1.00 0.00 O ATOM 361 CG2 THR A 24 9.910 -5.767 6.375 1.00 0.00 C ATOM 0 H THR A 24 10.893 -2.307 7.227 1.00 0.00 H new ATOM 0 HA THR A 24 12.066 -4.655 5.847 1.00 0.00 H new ATOM 0 HB THR A 24 9.273 -3.999 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.175 -2.698 7.094 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.895 -6.077 6.622 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.235 -6.278 5.468 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.578 -6.025 7.196 1.00 0.00 H new ATOM 369 N HIS A 25 11.714 -1.996 4.244 1.00 0.00 N ATOM 370 CA HIS A 25 11.772 -1.387 2.896 1.00 0.00 C ATOM 371 C HIS A 25 13.125 -0.714 2.663 1.00 0.00 C ATOM 372 O HIS A 25 13.447 -0.316 1.561 1.00 0.00 O ATOM 373 CB HIS A 25 10.645 -0.368 2.917 1.00 0.00 C ATOM 374 CG HIS A 25 9.354 -1.097 3.149 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.867 -1.345 4.422 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.459 -1.674 2.285 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.727 -2.045 4.290 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.435 -2.274 3.009 1.00 0.00 N ATOM 0 H HIS A 25 11.913 -1.359 5.016 1.00 0.00 H new ATOM 0 HA HIS A 25 11.664 -2.115 2.092 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.813 0.367 3.704 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.609 0.177 1.974 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.295 -1.050 5.299 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.538 -1.664 1.208 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.122 -2.381 5.119 1.00 0.00 H new ATOM 386 N LYS A 26 13.927 -0.590 3.684 1.00 0.00 N ATOM 387 CA LYS A 26 15.259 0.048 3.499 1.00 0.00 C ATOM 388 C LYS A 26 15.960 -0.580 2.293 1.00 0.00 C ATOM 389 O LYS A 26 16.806 0.025 1.666 1.00 0.00 O ATOM 390 CB LYS A 26 16.027 -0.250 4.785 1.00 0.00 C ATOM 391 CG LYS A 26 15.303 0.390 5.970 1.00 0.00 C ATOM 392 CD LYS A 26 16.274 0.544 7.142 1.00 0.00 C ATOM 393 CE LYS A 26 16.784 1.986 7.196 1.00 0.00 C ATOM 394 NZ LYS A 26 16.112 2.587 8.380 1.00 0.00 N ATOM 0 H LYS A 26 13.719 -0.901 4.633 1.00 0.00 H new ATOM 0 HA LYS A 26 15.190 1.120 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.107 -1.327 4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.043 0.138 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.906 1.364 5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.454 -0.226 6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.776 0.288 8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.111 -0.145 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.869 2.018 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.535 2.527 6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.412 3.577 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.081 2.549 8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.373 2.055 9.235 1.00 0.00 H new ATOM 408 N ALA A 27 15.603 -1.791 1.961 1.00 0.00 N ATOM 409 CA ALA A 27 16.233 -2.464 0.792 1.00 0.00 C ATOM 410 C ALA A 27 15.481 -2.093 -0.488 1.00 0.00 C ATOM 411 O ALA A 27 15.899 -2.410 -1.583 1.00 0.00 O ATOM 412 CB ALA A 27 16.106 -3.961 1.076 1.00 0.00 C ATOM 0 H ALA A 27 14.900 -2.344 2.451 1.00 0.00 H new ATOM 0 HA ALA A 27 17.272 -2.167 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.549 -4.526 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.625 -4.201 2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.053 -4.225 1.171 1.00 0.00 H new ATOM 418 N VAL A 28 14.374 -1.411 -0.354 1.00 0.00 N ATOM 419 CA VAL A 28 13.598 -1.007 -1.558 1.00 0.00 C ATOM 420 C VAL A 28 14.191 0.272 -2.132 1.00 0.00 C ATOM 421 O VAL A 28 15.100 0.849 -1.570 1.00 0.00 O ATOM 422 CB VAL A 28 12.175 -0.760 -1.054 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.345 -0.090 -2.150 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.529 -2.093 -0.676 1.00 0.00 C ATOM 0 H VAL A 28 13.976 -1.117 0.538 1.00 0.00 H new ATOM 0 HA VAL A 28 13.618 -1.761 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 28 12.213 -0.109 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.333 0.083 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.801 0.862 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.309 -0.737 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.515 -1.917 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.497 -2.743 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.114 -2.571 0.109 1.00 0.00 H new ATOM 434 N LYS A 29 13.688 0.728 -3.238 1.00 0.00 N ATOM 435 CA LYS A 29 14.238 1.975 -3.820 1.00 0.00 C ATOM 436 C LYS A 29 13.491 3.176 -3.265 1.00 0.00 C ATOM 437 O LYS A 29 12.371 3.458 -3.636 1.00 0.00 O ATOM 438 CB LYS A 29 14.017 1.873 -5.318 1.00 0.00 C ATOM 439 CG LYS A 29 15.370 1.823 -6.024 1.00 0.00 C ATOM 440 CD LYS A 29 15.704 0.376 -6.389 1.00 0.00 C ATOM 441 CE LYS A 29 17.037 -0.018 -5.747 1.00 0.00 C ATOM 442 NZ LYS A 29 17.241 -1.443 -6.131 1.00 0.00 N ATOM 0 H LYS A 29 12.926 0.296 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 29 15.294 2.099 -3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.438 0.979 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.441 2.728 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.346 2.439 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.145 2.234 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.912 -0.289 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.764 0.267 -7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.851 0.609 -6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.004 0.098 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.136 -1.786 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.454 -2.017 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.275 -1.522 -7.167 1.00 0.00 H new ATOM 456 N CYS A 30 14.113 3.885 -2.385 1.00 0.00 N ATOM 457 CA CYS A 30 13.453 5.088 -1.800 1.00 0.00 C ATOM 458 C CYS A 30 12.817 5.907 -2.924 1.00 0.00 C ATOM 459 O CYS A 30 11.892 6.665 -2.712 1.00 0.00 O ATOM 460 CB CYS A 30 14.571 5.881 -1.123 1.00 0.00 C ATOM 461 SG CYS A 30 14.885 5.202 0.526 1.00 0.00 S ATOM 0 H CYS A 30 15.052 3.692 -2.038 1.00 0.00 H new ATOM 0 HA CYS A 30 12.667 4.831 -1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.479 5.836 -1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.291 6.932 -1.047 1.00 0.00 H new ATOM 0 HG CYS A 30 15.837 5.876 1.099 1.00 0.00 H new ATOM 466 N GLY A 31 13.312 5.753 -4.124 1.00 0.00 N ATOM 467 CA GLY A 31 12.745 6.514 -5.273 1.00 0.00 C ATOM 468 C GLY A 31 11.580 5.730 -5.880 1.00 0.00 C ATOM 469 O GLY A 31 10.801 6.257 -6.647 1.00 0.00 O ATOM 0 H GLY A 31 14.086 5.131 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.403 7.494 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.515 6.683 -6.026 1.00 0.00 H new ATOM 473 N ASP A 32 11.442 4.478 -5.541 1.00 0.00 N ATOM 474 CA ASP A 32 10.310 3.689 -6.101 1.00 0.00 C ATOM 475 C ASP A 32 9.037 4.028 -5.326 1.00 0.00 C ATOM 476 O ASP A 32 7.957 4.095 -5.878 1.00 0.00 O ATOM 477 CB ASP A 32 10.703 2.224 -5.910 1.00 0.00 C ATOM 478 CG ASP A 32 10.455 1.462 -7.210 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.399 1.651 -7.792 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.324 0.702 -7.603 1.00 0.00 O ATOM 0 H ASP A 32 12.058 3.971 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 32 10.118 3.904 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.753 2.151 -5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.123 1.782 -5.100 1.00 0.00 H new ATOM 485 N CYS A 33 9.168 4.277 -4.052 1.00 0.00 N ATOM 486 CA CYS A 33 7.980 4.653 -3.239 1.00 0.00 C ATOM 487 C CYS A 33 7.838 6.177 -3.269 1.00 0.00 C ATOM 488 O CYS A 33 6.815 6.713 -3.648 1.00 0.00 O ATOM 489 CB CYS A 33 8.292 4.170 -1.821 1.00 0.00 C ATOM 490 SG CYS A 33 7.745 2.458 -1.618 1.00 0.00 S ATOM 0 H CYS A 33 10.049 4.236 -3.539 1.00 0.00 H new ATOM 0 HA CYS A 33 7.051 4.217 -3.607 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.363 4.244 -1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.793 4.809 -1.092 1.00 0.00 H new ATOM 0 HG CYS A 33 8.016 2.056 -0.412 1.00 0.00 H new ATOM 495 N HIS A 34 8.879 6.875 -2.896 1.00 0.00 N ATOM 496 CA HIS A 34 8.837 8.363 -2.923 1.00 0.00 C ATOM 497 C HIS A 34 9.327 8.853 -4.286 1.00 0.00 C ATOM 498 O HIS A 34 10.004 9.854 -4.384 1.00 0.00 O ATOM 499 CB HIS A 34 9.812 8.813 -1.835 1.00 0.00 C ATOM 500 CG HIS A 34 9.235 8.543 -0.474 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.072 9.149 -0.023 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.666 7.748 0.556 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.850 8.715 1.232 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.793 7.860 1.631 1.00 0.00 N ATOM 0 H HIS A 34 9.759 6.474 -2.573 1.00 0.00 H new ATOM 0 HA HIS A 34 7.833 8.754 -2.759 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.760 8.287 -1.946 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.023 9.877 -1.944 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.491 9.804 -0.546 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.550 7.128 0.535 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.012 9.021 1.841 1.00 0.00 H new ATOM 512 N HIS A 35 9.006 8.137 -5.329 1.00 0.00 N ATOM 513 CA HIS A 35 9.463 8.533 -6.695 1.00 0.00 C ATOM 514 C HIS A 35 9.558 10.057 -6.829 1.00 0.00 C ATOM 515 O HIS A 35 8.999 10.791 -6.040 1.00 0.00 O ATOM 516 CB HIS A 35 8.400 7.976 -7.640 1.00 0.00 C ATOM 517 CG HIS A 35 7.046 8.400 -7.172 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.536 9.631 -7.501 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.083 7.777 -6.410 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.317 9.729 -6.953 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.984 8.624 -6.275 1.00 0.00 N ATOM 0 H HIS A 35 8.442 7.288 -5.295 1.00 0.00 H new ATOM 0 HA HIS A 35 10.458 8.147 -6.916 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.575 8.336 -8.654 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.461 6.888 -7.673 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.166 6.788 -5.984 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.680 10.596 -7.047 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.117 8.442 -5.770 1.00 0.00 H new ATOM 529 N PRO A 36 10.275 10.476 -7.836 1.00 0.00 N ATOM 530 CA PRO A 36 10.468 11.925 -8.090 1.00 0.00 C ATOM 531 C PRO A 36 9.145 12.573 -8.501 1.00 0.00 C ATOM 532 O PRO A 36 8.537 12.202 -9.486 1.00 0.00 O ATOM 533 CB PRO A 36 11.477 11.957 -9.236 1.00 0.00 C ATOM 534 CG PRO A 36 11.322 10.635 -9.913 1.00 0.00 C ATOM 535 CD PRO A 36 10.958 9.649 -8.835 1.00 0.00 C ATOM 0 HA PRO A 36 10.813 12.474 -7.214 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.272 12.779 -9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.493 12.096 -8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.547 10.678 -10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.246 10.343 -10.412 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.309 8.860 -9.215 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.841 9.164 -8.419 1.00 0.00 H new ATOM 602 N GLU A 41 12.603 13.030 -5.474 1.00 0.00 N ATOM 603 CA GLU A 41 11.581 12.134 -4.860 1.00 0.00 C ATOM 604 C GLU A 41 11.035 12.745 -3.572 1.00 0.00 C ATOM 605 O GLU A 41 11.756 12.941 -2.614 1.00 0.00 O ATOM 606 CB GLU A 41 12.334 10.846 -4.546 1.00 0.00 C ATOM 607 CG GLU A 41 12.295 9.916 -5.760 1.00 0.00 C ATOM 608 CD GLU A 41 13.641 9.202 -5.897 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.430 9.282 -4.970 1.00 0.00 O ATOM 610 OE2 GLU A 41 13.861 8.588 -6.929 1.00 0.00 O ATOM 0 HA GLU A 41 10.730 11.972 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.367 11.073 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.886 10.353 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.494 9.186 -5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.081 10.488 -6.663 1.00 0.00 H new ATOM 617 N ASP A 42 9.765 13.033 -3.531 1.00 0.00 N ATOM 618 CA ASP A 42 9.190 13.612 -2.290 1.00 0.00 C ATOM 619 C ASP A 42 9.300 12.589 -1.161 1.00 0.00 C ATOM 620 O ASP A 42 8.601 11.595 -1.139 1.00 0.00 O ATOM 621 CB ASP A 42 7.727 13.897 -2.610 1.00 0.00 C ATOM 622 CG ASP A 42 7.634 15.102 -3.548 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.476 15.212 -4.424 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.724 15.895 -3.373 1.00 0.00 O ATOM 0 H ASP A 42 9.106 12.893 -4.297 1.00 0.00 H new ATOM 0 HA ASP A 42 9.709 14.516 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.269 13.024 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.175 14.095 -1.691 1.00 0.00 H new ATOM 629 N TYR A 43 10.181 12.816 -0.233 1.00 0.00 N ATOM 630 CA TYR A 43 10.344 11.844 0.885 1.00 0.00 C ATOM 631 C TYR A 43 9.398 12.194 2.039 1.00 0.00 C ATOM 632 O TYR A 43 9.828 12.483 3.138 1.00 0.00 O ATOM 633 CB TYR A 43 11.802 11.988 1.328 1.00 0.00 C ATOM 634 CG TYR A 43 12.719 11.650 0.176 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.933 10.312 -0.183 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.358 12.675 -0.533 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.786 10.002 -1.248 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.211 12.363 -1.599 1.00 0.00 C ATOM 639 CZ TYR A 43 14.425 11.027 -1.957 1.00 0.00 C ATOM 640 OH TYR A 43 15.265 10.720 -3.006 1.00 0.00 O ATOM 0 H TYR A 43 10.795 13.629 -0.197 1.00 0.00 H new ATOM 0 HA TYR A 43 10.108 10.825 0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.990 13.006 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.003 11.328 2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.440 9.521 0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.193 13.706 -0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.952 8.971 -1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.704 13.154 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 43 14.959 9.897 -3.440 1.00 0.00 H new ATOM 650 N GLN A 44 8.115 12.172 1.800 1.00 0.00 N ATOM 651 CA GLN A 44 7.150 12.506 2.890 1.00 0.00 C ATOM 652 C GLN A 44 5.978 11.524 2.886 1.00 0.00 C ATOM 653 O GLN A 44 5.868 10.678 2.023 1.00 0.00 O ATOM 654 CB GLN A 44 6.667 13.923 2.578 1.00 0.00 C ATOM 655 CG GLN A 44 6.253 14.010 1.107 1.00 0.00 C ATOM 656 CD GLN A 44 5.780 15.430 0.795 1.00 0.00 C ATOM 657 OE1 GLN A 44 4.823 15.618 0.070 1.00 0.00 O ATOM 658 NE2 GLN A 44 6.414 16.445 1.314 1.00 0.00 N ATOM 0 H GLN A 44 7.693 11.938 0.901 1.00 0.00 H new ATOM 0 HA GLN A 44 7.610 12.442 3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.824 14.181 3.220 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.459 14.643 2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.093 13.746 0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.456 13.296 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.217 16.287 1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.106 17.396 1.111 1.00 0.00 H new ATOM 667 N LYS A 45 5.108 11.621 3.854 1.00 0.00 N ATOM 668 CA LYS A 45 3.956 10.682 3.912 1.00 0.00 C ATOM 669 C LYS A 45 3.359 10.477 2.521 1.00 0.00 C ATOM 670 O LYS A 45 3.105 11.415 1.792 1.00 0.00 O ATOM 671 CB LYS A 45 2.933 11.334 4.839 1.00 0.00 C ATOM 672 CG LYS A 45 2.777 12.817 4.494 1.00 0.00 C ATOM 673 CD LYS A 45 1.825 13.472 5.498 1.00 0.00 C ATOM 674 CE LYS A 45 2.208 14.942 5.684 1.00 0.00 C ATOM 675 NZ LYS A 45 0.911 15.674 5.727 1.00 0.00 N ATOM 0 H LYS A 45 5.146 12.310 4.606 1.00 0.00 H new ATOM 0 HA LYS A 45 4.260 9.700 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.972 10.828 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.250 11.226 5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.748 13.312 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.389 12.928 3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.797 13.396 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.872 12.950 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.775 15.089 6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.833 15.294 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.043 16.586 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.574 15.840 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.209 15.107 6.245 1.00 0.00 H new ATOM 689 N CYS A 46 3.132 9.249 2.156 1.00 0.00 N ATOM 690 CA CYS A 46 2.549 8.955 0.820 1.00 0.00 C ATOM 691 C CYS A 46 1.287 9.787 0.593 1.00 0.00 C ATOM 692 O CYS A 46 1.020 10.253 -0.497 1.00 0.00 O ATOM 693 CB CYS A 46 2.198 7.471 0.881 1.00 0.00 C ATOM 694 SG CYS A 46 3.716 6.494 1.025 1.00 0.00 S ATOM 0 H CYS A 46 3.327 8.429 2.731 1.00 0.00 H new ATOM 0 HA CYS A 46 3.233 9.193 0.005 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.546 7.276 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.649 7.179 -0.015 1.00 0.00 H new ATOM 0 HG CYS A 46 3.415 5.230 1.079 1.00 0.00 H new ATOM 699 N ALA A 47 0.503 9.963 1.617 1.00 0.00 N ATOM 700 CA ALA A 47 -0.755 10.751 1.473 1.00 0.00 C ATOM 701 C ALA A 47 -0.614 12.129 2.123 1.00 0.00 C ATOM 702 O ALA A 47 -1.446 12.542 2.905 1.00 0.00 O ATOM 703 CB ALA A 47 -1.806 9.936 2.209 1.00 0.00 C ATOM 0 H ALA A 47 0.678 9.595 2.552 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.009 10.922 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.768 10.446 2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.890 8.951 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.515 9.825 3.254 1.00 0.00 H new ATOM 709 N THR A 48 0.429 12.835 1.808 1.00 0.00 N ATOM 710 CA THR A 48 0.627 14.183 2.405 1.00 0.00 C ATOM 711 C THR A 48 -0.658 15.013 2.302 1.00 0.00 C ATOM 712 O THR A 48 -1.696 14.529 1.897 1.00 0.00 O ATOM 713 CB THR A 48 1.749 14.824 1.586 1.00 0.00 C ATOM 714 OG1 THR A 48 2.589 13.805 1.061 1.00 0.00 O ATOM 715 CG2 THR A 48 2.570 15.753 2.480 1.00 0.00 C ATOM 0 H THR A 48 1.158 12.537 1.160 1.00 0.00 H new ATOM 0 HA THR A 48 0.878 14.126 3.464 1.00 0.00 H new ATOM 0 HB THR A 48 1.318 15.400 0.767 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.706 13.941 0.098 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.369 16.209 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.925 16.534 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.003 15.180 3.300 1.00 0.00 H new ATOM 723 N ALA A 49 -0.591 16.260 2.674 1.00 0.00 N ATOM 724 CA ALA A 49 -1.802 17.133 2.613 1.00 0.00 C ATOM 725 C ALA A 49 -2.214 17.391 1.160 1.00 0.00 C ATOM 726 O ALA A 49 -3.259 17.948 0.891 1.00 0.00 O ATOM 727 CB ALA A 49 -1.380 18.439 3.285 1.00 0.00 C ATOM 0 H ALA A 49 0.253 16.717 3.020 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.660 16.673 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.217 19.137 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.079 18.238 4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.542 18.874 2.740 1.00 0.00 H new ATOM 733 N GLY A 50 -1.405 16.983 0.225 1.00 0.00 N ATOM 734 CA GLY A 50 -1.749 17.196 -1.210 1.00 0.00 C ATOM 735 C GLY A 50 -1.196 16.023 -2.008 1.00 0.00 C ATOM 736 O GLY A 50 -1.029 16.084 -3.209 1.00 0.00 O ATOM 0 H GLY A 50 -0.517 16.509 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.829 17.266 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.324 18.134 -1.568 1.00 0.00 H new ATOM 740 N CYS A 51 -0.894 14.959 -1.325 1.00 0.00 N ATOM 741 CA CYS A 51 -0.331 13.763 -1.978 1.00 0.00 C ATOM 742 C CYS A 51 -1.430 12.692 -2.115 1.00 0.00 C ATOM 743 O CYS A 51 -2.522 12.985 -2.558 1.00 0.00 O ATOM 744 CB CYS A 51 0.768 13.373 -0.994 1.00 0.00 C ATOM 745 SG CYS A 51 2.377 13.856 -1.666 1.00 0.00 S ATOM 0 H CYS A 51 -1.019 14.872 -0.316 1.00 0.00 H new ATOM 0 HA CYS A 51 0.049 13.904 -2.990 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.601 13.861 -0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.745 12.298 -0.813 1.00 0.00 H new ATOM 0 HG CYS A 51 3.291 13.039 -1.233 1.00 0.00 H new ATOM 750 N HIS A 52 -1.176 11.467 -1.735 1.00 0.00 N ATOM 751 CA HIS A 52 -2.239 10.430 -1.852 1.00 0.00 C ATOM 752 C HIS A 52 -3.218 10.578 -0.685 1.00 0.00 C ATOM 753 O HIS A 52 -3.369 9.688 0.128 1.00 0.00 O ATOM 754 CB HIS A 52 -1.507 9.089 -1.760 1.00 0.00 C ATOM 755 CG HIS A 52 -0.672 8.876 -2.982 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.243 8.690 -4.217 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.687 8.811 -3.178 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.248 8.521 -5.108 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.950 8.589 -4.525 1.00 0.00 N ATOM 0 H HIS A 52 -0.287 11.144 -1.353 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.807 10.516 -2.779 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.876 9.070 -0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.228 8.278 -1.657 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.434 8.916 -2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.401 8.351 -6.164 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.863 8.498 -4.971 1.00 0.00 H new ATOM 767 N ASP A 53 -3.870 11.705 -0.585 1.00 0.00 N ATOM 768 CA ASP A 53 -4.820 11.917 0.544 1.00 0.00 C ATOM 769 C ASP A 53 -6.277 11.837 0.073 1.00 0.00 C ATOM 770 O ASP A 53 -7.171 12.317 0.739 1.00 0.00 O ATOM 771 CB ASP A 53 -4.505 13.324 1.059 1.00 0.00 C ATOM 772 CG ASP A 53 -4.671 14.334 -0.079 1.00 0.00 C ATOM 773 OD1 ASP A 53 -5.794 14.741 -0.324 1.00 0.00 O ATOM 774 OD2 ASP A 53 -3.672 14.682 -0.685 1.00 0.00 O ATOM 0 H ASP A 53 -3.786 12.486 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.707 11.152 1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.170 13.578 1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.487 13.361 1.447 1.00 0.00 H new ATOM 779 N ASN A 54 -6.535 11.228 -1.054 1.00 0.00 N ATOM 780 CA ASN A 54 -7.950 11.129 -1.515 1.00 0.00 C ATOM 781 C ASN A 54 -8.648 9.995 -0.768 1.00 0.00 C ATOM 782 O ASN A 54 -8.421 8.830 -1.032 1.00 0.00 O ATOM 783 CB ASN A 54 -7.876 10.828 -3.011 1.00 0.00 C ATOM 784 CG ASN A 54 -8.584 11.937 -3.790 1.00 0.00 C ATOM 785 OD1 ASN A 54 -8.263 13.099 -3.643 1.00 0.00 O ATOM 786 ND2 ASN A 54 -9.542 11.625 -4.619 1.00 0.00 N ATOM 0 H ASN A 54 -5.840 10.801 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.515 12.042 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.835 10.754 -3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.342 9.866 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -10.021 12.357 -5.143 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.812 10.649 -4.743 1.00 0.00 H new ATOM 793 N MET A 55 -9.490 10.324 0.171 1.00 0.00 N ATOM 794 CA MET A 55 -10.194 9.265 0.946 1.00 0.00 C ATOM 795 C MET A 55 -11.378 8.710 0.150 1.00 0.00 C ATOM 796 O MET A 55 -12.315 8.177 0.710 1.00 0.00 O ATOM 797 CB MET A 55 -10.681 9.971 2.210 1.00 0.00 C ATOM 798 CG MET A 55 -9.498 10.638 2.912 1.00 0.00 C ATOM 799 SD MET A 55 -9.757 10.590 4.702 1.00 0.00 S ATOM 800 CE MET A 55 -9.837 8.791 4.869 1.00 0.00 C ATOM 0 H MET A 55 -9.721 11.282 0.436 1.00 0.00 H new ATOM 0 HA MET A 55 -9.546 8.417 1.169 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.434 10.717 1.955 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.157 9.254 2.879 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.571 10.125 2.654 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.396 11.670 2.576 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.692 8.516 5.914 1.00 0.00 H new ATOM 0 HE2 MET A 55 -10.811 8.437 4.532 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.056 8.334 4.262 1.00 0.00 H new ATOM 810 N ASP A 56 -11.345 8.822 -1.150 1.00 0.00 N ATOM 811 CA ASP A 56 -12.468 8.288 -1.966 1.00 0.00 C ATOM 812 C ASP A 56 -12.315 6.775 -2.114 1.00 0.00 C ATOM 813 O ASP A 56 -13.252 6.072 -2.438 1.00 0.00 O ATOM 814 CB ASP A 56 -12.341 8.979 -3.324 1.00 0.00 C ATOM 815 CG ASP A 56 -13.715 9.046 -3.995 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.699 8.831 -3.307 1.00 0.00 O ATOM 817 OD2 ASP A 56 -13.759 9.311 -5.185 1.00 0.00 O ATOM 0 H ASP A 56 -10.591 9.259 -1.679 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.442 8.474 -1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.938 9.984 -3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.642 8.433 -3.957 1.00 0.00 H new ATOM 822 N LYS A 57 -11.136 6.269 -1.871 1.00 0.00 N ATOM 823 CA LYS A 57 -10.916 4.800 -1.989 1.00 0.00 C ATOM 824 C LYS A 57 -11.255 4.331 -3.405 1.00 0.00 C ATOM 825 O LYS A 57 -11.418 3.153 -3.658 1.00 0.00 O ATOM 826 CB LYS A 57 -11.869 4.181 -0.968 1.00 0.00 C ATOM 827 CG LYS A 57 -11.627 4.816 0.403 1.00 0.00 C ATOM 828 CD LYS A 57 -12.872 4.639 1.274 1.00 0.00 C ATOM 829 CE LYS A 57 -13.216 3.152 1.379 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.449 2.985 0.561 1.00 0.00 N ATOM 0 H LYS A 57 -10.316 6.810 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.881 4.514 -1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.902 4.338 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.713 3.104 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.765 4.353 0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.397 5.875 0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.696 5.053 2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.710 5.187 0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.404 2.531 1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.386 2.858 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.962 2.137 0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.058 3.820 0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.190 2.881 -0.441 1.00 0.00 H new ATOM 844 N LYS A 58 -11.362 5.245 -4.332 1.00 0.00 N ATOM 845 CA LYS A 58 -11.690 4.853 -5.733 1.00 0.00 C ATOM 846 C LYS A 58 -11.121 5.876 -6.721 1.00 0.00 C ATOM 847 O LYS A 58 -11.486 5.901 -7.880 1.00 0.00 O ATOM 848 CB LYS A 58 -13.218 4.845 -5.791 1.00 0.00 C ATOM 849 CG LYS A 58 -13.765 3.972 -4.661 1.00 0.00 C ATOM 850 CD LYS A 58 -15.274 3.794 -4.838 1.00 0.00 C ATOM 851 CE LYS A 58 -15.632 2.312 -4.709 1.00 0.00 C ATOM 852 NZ LYS A 58 -16.391 1.992 -5.950 1.00 0.00 N ATOM 0 H LYS A 58 -11.236 6.246 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.264 3.886 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.602 5.861 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.554 4.464 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.271 3.001 -4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.553 4.433 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.810 4.375 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.583 4.170 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.737 1.695 -4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.234 2.127 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.672 0.991 -5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.241 2.590 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.791 2.172 -6.780 1.00 0.00 H new ATOM 866 N ASP A 59 -10.230 6.719 -6.276 1.00 0.00 N ATOM 867 CA ASP A 59 -9.641 7.736 -7.194 1.00 0.00 C ATOM 868 C ASP A 59 -8.900 7.047 -8.344 1.00 0.00 C ATOM 869 O ASP A 59 -8.795 7.576 -9.433 1.00 0.00 O ATOM 870 CB ASP A 59 -8.667 8.536 -6.327 1.00 0.00 C ATOM 871 CG ASP A 59 -7.650 9.252 -7.219 1.00 0.00 C ATOM 872 OD1 ASP A 59 -7.990 10.296 -7.750 1.00 0.00 O ATOM 873 OD2 ASP A 59 -6.550 8.744 -7.354 1.00 0.00 O ATOM 0 H ASP A 59 -9.884 6.748 -5.317 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.401 8.374 -7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.213 9.263 -5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.152 7.871 -5.633 1.00 0.00 H new ATOM 878 N LYS A 60 -8.386 5.871 -8.110 1.00 0.00 N ATOM 879 CA LYS A 60 -7.650 5.151 -9.190 1.00 0.00 C ATOM 880 C LYS A 60 -6.718 6.116 -9.930 1.00 0.00 C ATOM 881 O LYS A 60 -6.372 5.904 -11.075 1.00 0.00 O ATOM 882 CB LYS A 60 -8.736 4.628 -10.130 1.00 0.00 C ATOM 883 CG LYS A 60 -8.832 3.106 -10.006 1.00 0.00 C ATOM 884 CD LYS A 60 -7.538 2.468 -10.516 1.00 0.00 C ATOM 885 CE LYS A 60 -7.784 1.849 -11.893 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.426 1.600 -12.451 1.00 0.00 N ATOM 0 H LYS A 60 -8.443 5.377 -7.219 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.028 4.346 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.695 5.084 -9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.506 4.905 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.003 2.826 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.682 2.737 -10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.750 3.218 -10.578 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.197 1.704 -9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.354 0.923 -11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.356 2.522 -12.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.474 0.832 -13.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.075 2.465 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.779 1.329 -11.683 1.00 0.00 H new ATOM 900 N SER A 61 -6.310 7.173 -9.284 1.00 0.00 N ATOM 901 CA SER A 61 -5.400 8.150 -9.950 1.00 0.00 C ATOM 902 C SER A 61 -4.070 8.226 -9.199 1.00 0.00 C ATOM 903 O SER A 61 -3.814 7.461 -8.291 1.00 0.00 O ATOM 904 CB SER A 61 -6.131 9.488 -9.873 1.00 0.00 C ATOM 905 OG SER A 61 -6.223 10.049 -11.177 1.00 0.00 O ATOM 0 H SER A 61 -6.567 7.403 -8.324 1.00 0.00 H new ATOM 0 HA SER A 61 -5.172 7.868 -10.978 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.127 9.348 -9.454 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.599 10.169 -9.208 1.00 0.00 H new ATOM 0 HG SER A 61 -6.693 10.907 -11.131 1.00 0.00 H new ATOM 911 N ALA A 62 -3.219 9.144 -9.570 1.00 0.00 N ATOM 912 CA ALA A 62 -1.907 9.266 -8.873 1.00 0.00 C ATOM 913 C ALA A 62 -2.065 10.090 -7.592 1.00 0.00 C ATOM 914 O ALA A 62 -1.100 10.430 -6.937 1.00 0.00 O ATOM 915 CB ALA A 62 -0.995 9.986 -9.866 1.00 0.00 C ATOM 0 H ALA A 62 -3.375 9.813 -10.324 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.503 8.297 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.006 10.114 -9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.912 9.395 -10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.416 10.963 -10.104 1.00 0.00 H new ATOM 921 N LYS A 63 -3.277 10.417 -7.232 1.00 0.00 N ATOM 922 CA LYS A 63 -3.498 11.220 -5.995 1.00 0.00 C ATOM 923 C LYS A 63 -4.410 10.463 -5.029 1.00 0.00 C ATOM 924 O LYS A 63 -4.710 10.930 -3.949 1.00 0.00 O ATOM 925 CB LYS A 63 -4.182 12.499 -6.473 1.00 0.00 C ATOM 926 CG LYS A 63 -3.589 13.702 -5.737 1.00 0.00 C ATOM 927 CD LYS A 63 -2.997 14.682 -6.752 1.00 0.00 C ATOM 928 CE LYS A 63 -3.048 16.101 -6.181 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.776 16.993 -7.343 1.00 0.00 N ATOM 0 H LYS A 63 -4.124 10.163 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.568 11.424 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.048 12.615 -7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.255 12.440 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.360 14.196 -5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.817 13.372 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.967 14.407 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.555 14.635 -7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.021 16.314 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.305 16.238 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.794 17.985 -7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.840 16.772 -7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.504 16.846 -8.071 1.00 0.00 H new ATOM 943 N GLY A 64 -4.860 9.302 -5.413 1.00 0.00 N ATOM 944 CA GLY A 64 -5.759 8.525 -4.517 1.00 0.00 C ATOM 945 C GLY A 64 -4.947 7.520 -3.705 1.00 0.00 C ATOM 946 O GLY A 64 -4.179 6.745 -4.239 1.00 0.00 O ATOM 0 H GLY A 64 -4.645 8.859 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.291 9.201 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.512 8.004 -5.108 1.00 0.00 H new ATOM 950 N TYR A 65 -5.122 7.526 -2.414 1.00 0.00 N ATOM 951 CA TYR A 65 -4.373 6.570 -1.554 1.00 0.00 C ATOM 952 C TYR A 65 -4.676 5.136 -2.000 1.00 0.00 C ATOM 953 O TYR A 65 -3.800 4.400 -2.410 1.00 0.00 O ATOM 954 CB TYR A 65 -4.910 6.832 -0.143 1.00 0.00 C ATOM 955 CG TYR A 65 -3.833 6.575 0.888 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.479 6.680 0.542 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.194 6.237 2.198 1.00 0.00 C ATOM 958 CE1 TYR A 65 -1.491 6.446 1.504 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.203 6.001 3.160 1.00 0.00 C ATOM 960 CZ TYR A 65 -1.852 6.106 2.811 1.00 0.00 C ATOM 961 OH TYR A 65 -0.876 5.875 3.760 1.00 0.00 O ATOM 0 H TYR A 65 -5.753 8.154 -1.916 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.292 6.696 -1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.258 7.862 -0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.769 6.189 0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.198 6.942 -0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.237 6.158 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.448 6.528 1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.482 5.738 4.170 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.084 6.414 3.553 1.00 0.00 H new ATOM 971 N TYR A 66 -5.915 4.741 -1.929 1.00 0.00 N ATOM 972 CA TYR A 66 -6.298 3.364 -2.350 1.00 0.00 C ATOM 973 C TYR A 66 -5.565 2.949 -3.628 1.00 0.00 C ATOM 974 O TYR A 66 -4.770 2.031 -3.631 1.00 0.00 O ATOM 975 CB TYR A 66 -7.796 3.460 -2.619 1.00 0.00 C ATOM 976 CG TYR A 66 -8.482 2.202 -2.151 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.381 1.026 -2.902 1.00 0.00 C ATOM 978 CD2 TYR A 66 -9.226 2.219 -0.969 1.00 0.00 C ATOM 979 CE1 TYR A 66 -9.028 -0.137 -2.468 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.872 1.056 -0.534 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.774 -0.122 -1.284 1.00 0.00 C ATOM 982 OH TYR A 66 -10.412 -1.268 -0.856 1.00 0.00 O ATOM 0 H TYR A 66 -6.687 5.318 -1.594 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.042 2.621 -1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.212 4.325 -2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.975 3.607 -3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.805 1.015 -3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.303 3.128 -0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.951 -1.046 -3.047 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.446 1.067 0.381 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.884 -1.086 -0.017 1.00 0.00 H new ATOM 992 N HIS A 67 -5.848 3.605 -4.718 1.00 0.00 N ATOM 993 CA HIS A 67 -5.195 3.235 -6.004 1.00 0.00 C ATOM 994 C HIS A 67 -3.721 2.879 -5.802 1.00 0.00 C ATOM 995 O HIS A 67 -3.349 1.724 -5.749 1.00 0.00 O ATOM 996 CB HIS A 67 -5.312 4.475 -6.885 1.00 0.00 C ATOM 997 CG HIS A 67 -4.528 4.237 -8.142 1.00 0.00 C ATOM 998 ND1 HIS A 67 -4.878 3.247 -9.041 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.384 4.811 -8.639 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -3.959 3.245 -10.020 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.026 4.181 -9.828 1.00 0.00 N ATOM 0 H HIS A 67 -6.505 4.383 -4.774 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.669 2.359 -6.446 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.357 4.675 -7.122 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.931 5.351 -6.360 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.687 2.630 -8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.845 5.626 -8.179 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.973 2.568 -10.861 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.879 3.868 -5.711 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.421 3.604 -5.539 1.00 0.00 C ATOM 1011 C ALA A 68 -1.173 2.539 -4.464 1.00 0.00 C ATOM 1012 O ALA A 68 -0.142 1.901 -4.442 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.831 4.945 -5.100 1.00 0.00 C ATOM 0 H ALA A 68 -3.137 4.854 -5.748 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.969 3.226 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.243 4.838 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.018 5.694 -5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.297 5.260 -4.166 1.00 0.00 H new ATOM 1019 N MET A 69 -2.089 2.359 -3.555 1.00 0.00 N ATOM 1020 CA MET A 69 -1.870 1.351 -2.477 1.00 0.00 C ATOM 1021 C MET A 69 -2.373 -0.041 -2.872 1.00 0.00 C ATOM 1022 O MET A 69 -1.825 -1.040 -2.451 1.00 0.00 O ATOM 1023 CB MET A 69 -2.662 1.887 -1.292 1.00 0.00 C ATOM 1024 CG MET A 69 -2.077 3.233 -0.865 1.00 0.00 C ATOM 1025 SD MET A 69 -1.108 3.021 0.648 1.00 0.00 S ATOM 1026 CE MET A 69 0.349 3.956 0.115 1.00 0.00 C ATOM 0 H MET A 69 -2.975 2.862 -3.510 1.00 0.00 H new ATOM 0 HA MET A 69 -0.809 1.224 -2.261 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.711 2.002 -1.563 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.623 1.180 -0.463 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.448 3.636 -1.659 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.878 3.953 -0.698 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.157 3.810 0.831 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.667 3.606 -0.867 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.101 5.016 0.060 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.410 -0.131 -3.654 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.922 -1.480 -4.029 1.00 0.00 C ATOM 1038 C HIS A 70 -3.703 -1.757 -5.519 1.00 0.00 C ATOM 1039 O HIS A 70 -3.888 -2.866 -5.983 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.413 -1.438 -3.702 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.595 -1.023 -2.269 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.846 0.291 -1.905 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.557 -1.735 -1.098 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.949 0.328 -0.564 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.782 -0.880 -0.024 1.00 0.00 N ATOM 0 H HIS A 70 -3.921 0.659 -4.047 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.404 -2.275 -3.492 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.923 -0.737 -4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.862 -2.417 -3.869 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.379 -2.798 -1.021 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.143 1.225 0.005 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.813 -1.125 0.966 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.315 -0.769 -6.276 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.093 -0.997 -7.733 1.00 0.00 C ATOM 1055 C ASP A 71 -1.671 -1.502 -7.993 1.00 0.00 C ATOM 1056 O ASP A 71 -0.788 -1.343 -7.176 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.312 0.370 -8.377 1.00 0.00 C ATOM 1058 CG ASP A 71 -4.811 0.658 -8.439 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.449 0.597 -7.401 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.297 0.928 -9.524 1.00 0.00 O ATOM 0 H ASP A 71 -3.142 0.183 -5.952 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.764 -1.754 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.804 1.143 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.884 0.387 -9.379 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.448 -2.114 -9.126 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.085 -2.631 -9.443 1.00 0.00 C ATOM 1067 C LYS A 72 0.484 -1.904 -10.663 1.00 0.00 C ATOM 1068 O LYS A 72 1.622 -1.480 -10.671 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.281 -4.119 -9.741 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.085 -4.284 -11.032 1.00 0.00 C ATOM 1071 CD LYS A 72 -1.487 -5.750 -11.199 1.00 0.00 C ATOM 1072 CE LYS A 72 -2.791 -5.834 -11.996 1.00 0.00 C ATOM 1073 NZ LYS A 72 -3.031 -7.292 -12.184 1.00 0.00 N ATOM 0 H LYS A 72 -2.152 -2.278 -9.846 1.00 0.00 H new ATOM 0 HA LYS A 72 0.618 -2.473 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.687 -4.611 -9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.801 -4.600 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.974 -3.653 -11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.492 -3.959 -11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.698 -6.298 -11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.615 -6.217 -10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.614 -5.364 -11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.703 -5.321 -12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.909 -7.433 -12.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.234 -7.711 -12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.118 -7.752 -11.255 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.305 -1.747 -11.688 1.00 0.00 N ATOM 1088 CA GLY A 73 0.185 -1.036 -12.903 1.00 0.00 C ATOM 1089 C GLY A 73 0.201 0.464 -12.617 1.00 0.00 C ATOM 1090 O GLY A 73 -0.470 1.241 -13.266 1.00 0.00 O ATOM 0 H GLY A 73 -1.268 -2.080 -11.738 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.185 -1.382 -13.166 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.461 -1.252 -13.754 1.00 0.00 H new ATOM 1094 N THR A 74 0.952 0.871 -11.632 1.00 0.00 N ATOM 1095 CA THR A 74 1.005 2.315 -11.274 1.00 0.00 C ATOM 1096 C THR A 74 2.336 2.937 -11.705 1.00 0.00 C ATOM 1097 O THR A 74 3.311 2.248 -11.930 1.00 0.00 O ATOM 1098 CB THR A 74 0.891 2.327 -9.750 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.618 1.229 -9.217 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.578 2.214 -9.339 1.00 0.00 C ATOM 0 H THR A 74 1.534 0.262 -11.057 1.00 0.00 H new ATOM 0 HA THR A 74 0.220 2.890 -11.765 1.00 0.00 H new ATOM 0 HB THR A 74 1.300 3.261 -9.364 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.473 1.546 -8.859 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.653 2.223 -8.252 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.136 3.056 -9.748 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.993 1.282 -9.724 1.00 0.00 H new ATOM 1108 N LYS A 75 2.385 4.240 -11.809 1.00 0.00 N ATOM 1109 CA LYS A 75 3.653 4.916 -12.209 1.00 0.00 C ATOM 1110 C LYS A 75 4.840 4.212 -11.545 1.00 0.00 C ATOM 1111 O LYS A 75 5.917 4.124 -12.100 1.00 0.00 O ATOM 1112 CB LYS A 75 3.516 6.347 -11.679 1.00 0.00 C ATOM 1113 CG LYS A 75 4.278 7.311 -12.591 1.00 0.00 C ATOM 1114 CD LYS A 75 3.821 7.117 -14.039 1.00 0.00 C ATOM 1115 CE LYS A 75 4.971 6.537 -14.865 1.00 0.00 C ATOM 1116 NZ LYS A 75 5.438 7.665 -15.718 1.00 0.00 N ATOM 0 H LYS A 75 1.599 4.866 -11.633 1.00 0.00 H new ATOM 0 HA LYS A 75 3.822 4.894 -13.286 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.464 6.629 -11.634 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.906 6.408 -10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.101 8.340 -12.278 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.350 7.133 -12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.961 6.448 -14.073 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.501 8.070 -14.461 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.772 6.169 -14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.636 5.695 -15.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.227 7.345 -16.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.657 7.990 -16.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.757 8.449 -15.113 1.00 0.00 H new ATOM 1130 N PHE A 76 4.641 3.706 -10.359 1.00 0.00 N ATOM 1131 CA PHE A 76 5.744 2.997 -9.644 1.00 0.00 C ATOM 1132 C PHE A 76 5.207 1.752 -8.953 1.00 0.00 C ATOM 1133 O PHE A 76 4.014 1.529 -8.904 1.00 0.00 O ATOM 1134 CB PHE A 76 6.236 3.981 -8.590 1.00 0.00 C ATOM 1135 CG PHE A 76 6.632 5.271 -9.253 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.855 5.374 -9.923 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.763 6.366 -9.202 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.208 6.577 -10.543 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.117 7.567 -9.819 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.337 7.672 -10.489 1.00 0.00 C ATOM 0 H PHE A 76 3.758 3.753 -9.851 1.00 0.00 H new ATOM 0 HA PHE A 76 6.533 2.686 -10.329 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.453 4.164 -7.854 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.086 3.560 -8.053 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.525 4.528 -9.962 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.818 6.282 -8.685 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.151 6.661 -11.063 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.448 8.414 -9.778 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.610 8.601 -10.967 1.00 0.00 H new ATOM 1150 N LYS A 77 6.064 0.949 -8.383 1.00 0.00 N ATOM 1151 CA LYS A 77 5.553 -0.243 -7.672 1.00 0.00 C ATOM 1152 C LYS A 77 4.818 0.229 -6.425 1.00 0.00 C ATOM 1153 O LYS A 77 5.380 0.833 -5.534 1.00 0.00 O ATOM 1154 CB LYS A 77 6.766 -1.088 -7.319 1.00 0.00 C ATOM 1155 CG LYS A 77 7.713 -0.292 -6.429 1.00 0.00 C ATOM 1156 CD LYS A 77 9.128 -0.866 -6.553 1.00 0.00 C ATOM 1157 CE LYS A 77 9.085 -2.392 -6.423 1.00 0.00 C ATOM 1158 NZ LYS A 77 9.896 -2.897 -7.566 1.00 0.00 N ATOM 0 H LYS A 77 7.077 1.068 -8.381 1.00 0.00 H new ATOM 0 HA LYS A 77 4.859 -0.831 -8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.450 -1.997 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.282 -1.397 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.708 0.758 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.380 -0.337 -5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.560 -0.586 -7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.770 -0.444 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.500 -2.719 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.061 -2.764 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.914 -3.937 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.474 -2.575 -8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.867 -2.532 -7.491 1.00 0.00 H new ATOM 1172 N SER A 78 3.552 -0.011 -6.398 1.00 0.00 N ATOM 1173 CA SER A 78 2.702 0.442 -5.261 1.00 0.00 C ATOM 1174 C SER A 78 2.833 -0.484 -4.050 1.00 0.00 C ATOM 1175 O SER A 78 3.562 -1.455 -4.067 1.00 0.00 O ATOM 1176 CB SER A 78 1.281 0.384 -5.814 1.00 0.00 C ATOM 1177 OG SER A 78 1.262 -0.444 -6.968 1.00 0.00 O ATOM 0 H SER A 78 3.049 -0.514 -7.129 1.00 0.00 H new ATOM 0 HA SER A 78 2.990 1.433 -4.911 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.600 -0.009 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.935 1.386 -6.065 1.00 0.00 H new ATOM 0 HG SER A 78 0.472 -1.023 -6.942 1.00 0.00 H new ATOM 1183 N CYS A 79 2.117 -0.180 -3.000 1.00 0.00 N ATOM 1184 CA CYS A 79 2.174 -1.027 -1.777 1.00 0.00 C ATOM 1185 C CYS A 79 1.701 -2.442 -2.109 1.00 0.00 C ATOM 1186 O CYS A 79 2.472 -3.383 -2.109 1.00 0.00 O ATOM 1187 CB CYS A 79 1.217 -0.350 -0.794 1.00 0.00 C ATOM 1188 SG CYS A 79 1.866 1.283 -0.343 1.00 0.00 S ATOM 0 H CYS A 79 1.492 0.624 -2.939 1.00 0.00 H new ATOM 0 HA CYS A 79 3.180 -1.116 -1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.229 -0.249 -1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.100 -0.965 0.098 1.00 0.00 H new ATOM 0 HG CYS A 79 1.485 1.584 0.863 1.00 0.00 H new ATOM 1193 N VAL A 80 0.442 -2.599 -2.407 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.078 -3.951 -2.758 1.00 0.00 C ATOM 1195 C VAL A 80 0.504 -4.385 -4.107 1.00 0.00 C ATOM 1196 O VAL A 80 0.662 -5.559 -4.379 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.594 -3.785 -2.854 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.198 -5.005 -3.551 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.191 -3.655 -1.447 1.00 0.00 C ATOM 0 H VAL A 80 -0.250 -1.850 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 80 0.195 -4.710 -2.025 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.821 -2.886 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.279 -4.887 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.779 -5.096 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.967 -5.903 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.272 -3.537 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.962 -4.551 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.764 -2.784 -0.949 1.00 0.00 H new ATOM 1209 N GLY A 81 0.832 -3.441 -4.949 1.00 0.00 N ATOM 1210 CA GLY A 81 1.412 -3.788 -6.279 1.00 0.00 C ATOM 1211 C GLY A 81 2.798 -4.402 -6.075 1.00 0.00 C ATOM 1212 O GLY A 81 3.143 -5.396 -6.682 1.00 0.00 O ATOM 0 H GLY A 81 0.723 -2.442 -4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.762 -4.491 -6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.483 -2.897 -6.902 1.00 0.00 H new ATOM 1216 N CYS A 82 3.586 -3.828 -5.208 1.00 0.00 N ATOM 1217 CA CYS A 82 4.941 -4.393 -4.947 1.00 0.00 C ATOM 1218 C CYS A 82 4.781 -5.636 -4.085 1.00 0.00 C ATOM 1219 O CYS A 82 5.624 -6.511 -4.053 1.00 0.00 O ATOM 1220 CB CYS A 82 5.693 -3.308 -4.173 1.00 0.00 C ATOM 1221 SG CYS A 82 7.474 -3.623 -4.265 1.00 0.00 S ATOM 0 H CYS A 82 3.351 -2.994 -4.670 1.00 0.00 H new ATOM 0 HA CYS A 82 5.472 -4.668 -5.859 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.465 -2.326 -4.588 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.368 -3.298 -3.133 1.00 0.00 H new ATOM 0 HG CYS A 82 7.725 -4.405 -5.273 1.00 0.00 H new ATOM 1226 N HIS A 83 3.687 -5.707 -3.385 1.00 0.00 N ATOM 1227 CA HIS A 83 3.421 -6.871 -2.509 1.00 0.00 C ATOM 1228 C HIS A 83 3.042 -8.090 -3.358 1.00 0.00 C ATOM 1229 O HIS A 83 3.718 -9.099 -3.341 1.00 0.00 O ATOM 1230 CB HIS A 83 2.267 -6.403 -1.625 1.00 0.00 C ATOM 1231 CG HIS A 83 2.832 -5.697 -0.424 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.127 -5.568 0.761 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.040 -5.080 -0.212 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.909 -4.902 1.627 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.085 -4.580 1.084 1.00 0.00 N ATOM 0 H HIS A 83 2.956 -4.995 -3.385 1.00 0.00 H new ATOM 0 HA HIS A 83 4.282 -7.182 -1.917 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.612 -5.734 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.662 -7.254 -1.312 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.185 -5.915 0.943 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.833 -4.996 -0.940 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.621 -4.657 2.639 1.00 0.00 H new ATOM 1243 N LEU A 84 1.982 -8.005 -4.119 1.00 0.00 N ATOM 1244 CA LEU A 84 1.592 -9.153 -4.974 1.00 0.00 C ATOM 1245 C LEU A 84 2.810 -9.645 -5.761 1.00 0.00 C ATOM 1246 O LEU A 84 2.906 -10.803 -6.120 1.00 0.00 O ATOM 1247 CB LEU A 84 0.538 -8.575 -5.913 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.701 -9.464 -5.893 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.930 -8.638 -6.275 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.525 -10.612 -6.889 1.00 0.00 C ATOM 0 H LEU A 84 1.373 -7.189 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 84 1.216 -10.005 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.277 -7.562 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.935 -8.508 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.837 -9.872 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.815 -9.274 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.057 -7.823 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.795 -8.227 -7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.411 -11.246 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.387 -10.206 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.349 -11.202 -6.613 1.00 0.00 H new ATOM 1262 N GLU A 85 3.744 -8.772 -6.024 1.00 0.00 N ATOM 1263 CA GLU A 85 4.961 -9.182 -6.778 1.00 0.00 C ATOM 1264 C GLU A 85 6.056 -9.618 -5.802 1.00 0.00 C ATOM 1265 O GLU A 85 6.645 -10.671 -5.944 1.00 0.00 O ATOM 1266 CB GLU A 85 5.392 -7.933 -7.549 1.00 0.00 C ATOM 1267 CG GLU A 85 4.522 -7.780 -8.799 1.00 0.00 C ATOM 1268 CD GLU A 85 5.368 -7.219 -9.944 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.451 -6.730 -9.669 1.00 0.00 O ATOM 1270 OE2 GLU A 85 4.919 -7.290 -11.075 1.00 0.00 O ATOM 0 H GLU A 85 3.716 -7.790 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 85 4.773 -10.023 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.296 -7.051 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.442 -8.011 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.101 -8.745 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.684 -7.115 -8.592 1.00 0.00 H new ATOM 1277 N THR A 86 6.329 -8.819 -4.805 1.00 0.00 N ATOM 1278 CA THR A 86 7.380 -9.195 -3.817 1.00 0.00 C ATOM 1279 C THR A 86 7.048 -10.559 -3.207 1.00 0.00 C ATOM 1280 O THR A 86 7.896 -11.227 -2.650 1.00 0.00 O ATOM 1281 CB THR A 86 7.339 -8.097 -2.750 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.065 -6.966 -3.211 1.00 0.00 O ATOM 1283 CG2 THR A 86 7.967 -8.611 -1.452 1.00 0.00 C ATOM 0 H THR A 86 5.870 -7.924 -4.633 1.00 0.00 H new ATOM 0 HA THR A 86 8.369 -9.276 -4.268 1.00 0.00 H new ATOM 0 HB THR A 86 6.303 -7.816 -2.561 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.461 -6.365 -3.696 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.935 -7.826 -0.697 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.411 -9.479 -1.097 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.003 -8.895 -1.637 1.00 0.00 H new ATOM 1291 N ALA A 87 5.817 -10.978 -3.317 1.00 0.00 N ATOM 1292 CA ALA A 87 5.424 -12.300 -2.751 1.00 0.00 C ATOM 1293 C ALA A 87 5.589 -13.390 -3.812 1.00 0.00 C ATOM 1294 O ALA A 87 5.937 -14.515 -3.514 1.00 0.00 O ATOM 1295 CB ALA A 87 3.952 -12.143 -2.362 1.00 0.00 C ATOM 0 H ALA A 87 5.066 -10.462 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 87 6.039 -12.588 -1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.587 -13.077 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.853 -11.345 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.366 -11.895 -3.247 1.00 0.00 H new ATOM 1340 N ALA A 92 2.068 -17.493 1.266 1.00 0.00 N ATOM 1341 CA ALA A 92 2.331 -16.891 2.602 1.00 0.00 C ATOM 1342 C ALA A 92 2.695 -15.425 2.412 1.00 0.00 C ATOM 1343 O ALA A 92 2.251 -14.557 3.136 1.00 0.00 O ATOM 1344 CB ALA A 92 3.512 -17.677 3.175 1.00 0.00 C ATOM 0 HA ALA A 92 1.471 -16.937 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.763 -17.288 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.242 -18.730 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.373 -17.574 2.514 1.00 0.00 H new ATOM 1350 N LYS A 93 3.488 -15.148 1.420 1.00 0.00 N ATOM 1351 CA LYS A 93 3.876 -13.746 1.140 1.00 0.00 C ATOM 1352 C LYS A 93 2.711 -13.025 0.463 1.00 0.00 C ATOM 1353 O LYS A 93 2.581 -11.820 0.537 1.00 0.00 O ATOM 1354 CB LYS A 93 5.064 -13.863 0.192 1.00 0.00 C ATOM 1355 CG LYS A 93 6.361 -13.787 0.992 1.00 0.00 C ATOM 1356 CD LYS A 93 7.547 -13.655 0.036 1.00 0.00 C ATOM 1357 CE LYS A 93 8.846 -13.963 0.785 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.933 -13.535 -0.140 1.00 0.00 N ATOM 0 H LYS A 93 3.887 -15.841 0.786 1.00 0.00 H new ATOM 0 HA LYS A 93 4.127 -13.181 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.016 -14.805 -0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.033 -13.063 -0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.332 -12.935 1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.474 -14.680 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.428 -14.340 -0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.584 -12.647 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.895 -13.421 1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.924 -15.024 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.857 -13.714 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.865 -14.072 -1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.837 -12.519 -0.342 1.00 0.00 H new ATOM 1372 N LYS A 94 1.852 -13.761 -0.188 1.00 0.00 N ATOM 1373 CA LYS A 94 0.687 -13.118 -0.857 1.00 0.00 C ATOM 1374 C LYS A 94 -0.375 -12.776 0.190 1.00 0.00 C ATOM 1375 O LYS A 94 -1.174 -11.878 0.014 1.00 0.00 O ATOM 1376 CB LYS A 94 0.162 -14.160 -1.844 1.00 0.00 C ATOM 1377 CG LYS A 94 0.200 -13.583 -3.261 1.00 0.00 C ATOM 1378 CD LYS A 94 -1.160 -13.790 -3.933 1.00 0.00 C ATOM 1379 CE LYS A 94 -0.988 -14.679 -5.166 1.00 0.00 C ATOM 1380 NZ LYS A 94 -1.793 -14.018 -6.231 1.00 0.00 N ATOM 0 H LYS A 94 1.906 -14.775 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 94 0.953 -12.191 -1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.768 -15.064 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.857 -14.444 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.443 -12.521 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.983 -14.070 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.857 -14.251 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.586 -12.829 -4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.060 -14.756 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.342 -15.692 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.194 -14.741 -6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.564 -13.473 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.184 -13.378 -6.780 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.376 -13.481 1.288 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.371 -13.197 2.359 1.00 0.00 C ATOM 1396 C LYS A 95 -0.815 -12.127 3.301 1.00 0.00 C ATOM 1397 O LYS A 95 -1.541 -11.483 4.031 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.553 -14.528 3.093 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.414 -14.731 4.095 1.00 0.00 C ATOM 1400 CD LYS A 95 -0.938 -14.504 5.516 1.00 0.00 C ATOM 1401 CE LYS A 95 0.238 -14.250 6.460 1.00 0.00 C ATOM 1402 NZ LYS A 95 0.875 -15.582 6.650 1.00 0.00 N ATOM 0 H LYS A 95 0.271 -14.243 1.489 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.318 -12.823 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.512 -14.539 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.569 -15.349 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.009 -15.739 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.400 -14.039 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.621 -13.654 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.504 -15.374 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.940 -13.534 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.101 -13.836 7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.084 -15.726 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.228 -16.326 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.759 -15.625 6.104 1.00 0.00 H new ATOM 1416 N GLU A 96 0.476 -11.937 3.282 1.00 0.00 N ATOM 1417 CA GLU A 96 1.103 -10.913 4.163 1.00 0.00 C ATOM 1418 C GLU A 96 1.270 -9.605 3.394 1.00 0.00 C ATOM 1419 O GLU A 96 0.996 -8.531 3.891 1.00 0.00 O ATOM 1420 CB GLU A 96 2.466 -11.502 4.522 1.00 0.00 C ATOM 1421 CG GLU A 96 3.367 -11.521 3.298 1.00 0.00 C ATOM 1422 CD GLU A 96 4.765 -11.994 3.708 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.848 -12.881 4.541 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.727 -11.461 3.181 1.00 0.00 O ATOM 0 H GLU A 96 1.127 -12.451 2.689 1.00 0.00 H new ATOM 0 HA GLU A 96 0.506 -10.691 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.928 -10.913 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.343 -12.514 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.954 -12.184 2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.422 -10.526 2.857 1.00 0.00 H new ATOM 1431 N LEU A 97 1.722 -9.703 2.183 1.00 0.00 N ATOM 1432 CA LEU A 97 1.925 -8.487 1.347 1.00 0.00 C ATOM 1433 C LEU A 97 0.597 -7.994 0.773 1.00 0.00 C ATOM 1434 O LEU A 97 0.159 -6.899 1.056 1.00 0.00 O ATOM 1435 CB LEU A 97 2.856 -8.946 0.231 1.00 0.00 C ATOM 1436 CG LEU A 97 4.137 -9.508 0.846 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.216 -9.577 -0.226 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.607 -8.595 1.983 1.00 0.00 C ATOM 0 H LEU A 97 1.964 -10.583 1.727 1.00 0.00 H new ATOM 0 HA LEU A 97 2.337 -7.656 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.367 -9.706 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.091 -8.111 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 97 3.945 -10.505 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.133 -9.977 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.883 -10.226 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.405 -8.577 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.521 -8.998 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.802 -7.597 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.833 -8.539 2.748 1.00 0.00 H new ATOM 1450 N THR A 98 -0.043 -8.784 -0.036 1.00 0.00 N ATOM 1451 CA THR A 98 -1.337 -8.339 -0.631 1.00 0.00 C ATOM 1452 C THR A 98 -2.516 -8.741 0.253 1.00 0.00 C ATOM 1453 O THR A 98 -3.646 -8.378 -0.006 1.00 0.00 O ATOM 1454 CB THR A 98 -1.417 -9.044 -1.978 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.222 -10.440 -1.795 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.333 -8.490 -2.901 1.00 0.00 C ATOM 0 H THR A 98 0.268 -9.715 -0.313 1.00 0.00 H new ATOM 0 HA THR A 98 -1.382 -7.254 -0.729 1.00 0.00 H new ATOM 0 HB THR A 98 -2.397 -8.874 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.341 -10.666 -0.849 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.386 -8.992 -3.867 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.485 -7.420 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.647 -8.663 -2.456 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.271 -9.481 1.294 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.393 -9.890 2.179 1.00 0.00 C ATOM 1466 C GLY A 99 -4.097 -8.640 2.713 1.00 0.00 C ATOM 1467 O GLY A 99 -3.493 -7.791 3.338 1.00 0.00 O ATOM 0 H GLY A 99 -1.349 -9.819 1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.099 -10.511 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.018 -10.492 3.007 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.367 -8.516 2.468 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.101 -7.316 2.964 1.00 0.00 C ATOM 1473 C CYS A 100 -6.495 -7.490 4.425 1.00 0.00 C ATOM 1474 O CYS A 100 -6.115 -6.723 5.275 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.373 -7.200 2.128 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.201 -8.071 0.542 1.00 0.00 S ATOM 0 H CYS A 100 -5.931 -9.189 1.948 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.471 -6.431 2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.215 -7.614 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.597 -6.149 1.946 1.00 0.00 H new ATOM 0 HG CYS A 100 -8.301 -7.952 -0.140 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.291 -8.470 4.717 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.737 -8.658 6.126 1.00 0.00 C ATOM 1483 C LYS A 101 -6.943 -9.765 6.827 1.00 0.00 C ATOM 1484 O LYS A 101 -7.366 -10.294 7.836 1.00 0.00 O ATOM 1485 CB LYS A 101 -9.207 -9.049 6.019 1.00 0.00 C ATOM 1486 CG LYS A 101 -10.048 -7.806 5.723 1.00 0.00 C ATOM 1487 CD LYS A 101 -11.489 -8.222 5.429 1.00 0.00 C ATOM 1488 CE LYS A 101 -12.445 -7.401 6.297 1.00 0.00 C ATOM 1489 NZ LYS A 101 -13.154 -8.402 7.142 1.00 0.00 N ATOM 0 H LYS A 101 -7.654 -9.149 4.048 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.582 -7.755 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.341 -9.788 5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.539 -9.512 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.021 -7.125 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.633 -7.268 4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.715 -8.067 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.620 -9.285 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.902 -6.681 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.146 -6.834 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.828 -7.914 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.667 -9.070 6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.462 -8.922 7.719 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.800 -10.122 6.314 1.00 0.00 N ATOM 1504 CA GLY A 102 -5.002 -11.196 6.976 1.00 0.00 C ATOM 1505 C GLY A 102 -3.531 -11.086 6.570 1.00 0.00 C ATOM 1506 O GLY A 102 -2.857 -12.078 6.380 1.00 0.00 O ATOM 0 H GLY A 102 -5.384 -9.722 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.095 -11.114 8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.392 -12.174 6.696 1.00 0.00 H new ATOM 1510 N SER A 103 -3.027 -9.891 6.424 1.00 0.00 N ATOM 1511 CA SER A 103 -1.609 -9.731 6.019 1.00 0.00 C ATOM 1512 C SER A 103 -0.831 -8.899 7.038 1.00 0.00 C ATOM 1513 O SER A 103 -1.121 -8.899 8.219 1.00 0.00 O ATOM 1514 CB SER A 103 -1.684 -9.000 4.690 1.00 0.00 C ATOM 1515 OG SER A 103 -1.502 -7.607 4.905 1.00 0.00 O ATOM 0 H SER A 103 -3.539 -9.021 6.569 1.00 0.00 H new ATOM 0 HA SER A 103 -1.092 -10.688 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.919 -9.377 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.648 -9.183 4.216 1.00 0.00 H new ATOM 0 HG SER A 103 -2.103 -7.104 4.317 1.00 0.00 H new ATOM 1521 N LYS A 104 0.158 -8.187 6.577 1.00 0.00 N ATOM 1522 CA LYS A 104 0.976 -7.339 7.482 1.00 0.00 C ATOM 1523 C LYS A 104 0.532 -5.895 7.337 1.00 0.00 C ATOM 1524 O LYS A 104 0.714 -5.070 8.209 1.00 0.00 O ATOM 1525 CB LYS A 104 2.392 -7.489 6.948 1.00 0.00 C ATOM 1526 CG LYS A 104 2.839 -8.947 7.070 1.00 0.00 C ATOM 1527 CD LYS A 104 3.425 -9.188 8.463 1.00 0.00 C ATOM 1528 CE LYS A 104 4.222 -10.494 8.462 1.00 0.00 C ATOM 1529 NZ LYS A 104 3.824 -11.187 9.719 1.00 0.00 N ATOM 0 H LYS A 104 0.437 -8.157 5.596 1.00 0.00 H new ATOM 0 HA LYS A 104 0.889 -7.619 8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.433 -7.172 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.071 -6.843 7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.993 -9.613 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.583 -9.175 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.070 -8.356 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.625 -9.238 9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.988 -11.099 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.295 -10.302 8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.330 -12.093 9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.065 -10.590 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.799 -11.362 9.709 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.028 -5.597 6.208 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.477 -4.218 5.924 1.00 0.00 C ATOM 1545 C CYS A 105 -1.819 -3.932 6.607 1.00 0.00 C ATOM 1546 O CYS A 105 -2.157 -2.798 6.878 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.622 -4.202 4.408 1.00 0.00 C ATOM 1548 SG CYS A 105 0.116 -2.687 3.744 1.00 0.00 S ATOM 0 H CYS A 105 -0.197 -6.265 5.456 1.00 0.00 H new ATOM 0 HA CYS A 105 0.212 -3.458 6.293 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.134 -5.076 3.977 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.675 -4.257 4.133 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.006 -2.676 2.450 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.584 -4.951 6.888 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.902 -4.730 7.554 1.00 0.00 C ATOM 1555 C HIS A 106 -3.993 -5.559 8.839 1.00 0.00 C ATOM 1556 O HIS A 106 -4.761 -6.496 8.930 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.943 -5.204 6.540 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.334 -4.058 5.647 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.335 -2.749 6.101 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.686 -3.998 4.315 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.665 -1.959 5.067 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.880 -2.662 3.951 1.00 0.00 N ATOM 0 H HIS A 106 -2.356 -5.925 6.687 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.050 -3.688 7.836 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.539 -6.022 5.944 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.821 -5.591 7.058 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.795 -4.848 3.657 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.747 -0.884 5.130 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -6.132 -2.301 3.031 1.00 0.00 H new ATOM 1570 N SER A 107 -3.215 -5.222 9.831 1.00 0.00 N ATOM 1571 CA SER A 107 -3.261 -5.994 11.106 1.00 0.00 C ATOM 1572 C SER A 107 -4.561 -5.696 11.859 1.00 0.00 C ATOM 1573 O SER A 107 -5.199 -4.708 11.531 1.00 0.00 O ATOM 1574 CB SER A 107 -2.055 -5.507 11.908 1.00 0.00 C ATOM 1575 OG SER A 107 -2.066 -6.121 13.191 1.00 0.00 O ATOM 1576 OXT SER A 107 -4.895 -6.459 12.749 1.00 0.00 O ATOM 0 H SER A 107 -2.551 -4.448 9.815 1.00 0.00 H new ATOM 0 HA SER A 107 -3.231 -7.070 10.937 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.132 -5.751 11.383 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.086 -4.422 12.011 1.00 0.00 H new ATOM 0 HG SER A 107 -1.293 -5.812 13.708 1.00 0.00 H new