USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=37 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 77 LYS NZ :NH3+ -110:sc= -1.61! (180deg=-3.61!) USER MOD Set 1.2: A 82 CYS SG : rot 180:sc= -2.3! USER MOD Set 1.3: A 86 THR OG1 : rot 92:sc= 0.488 USER MOD Set 2.1: A 46 CYS SG : rot -169:sc= 0.0826 USER MOD Set 2.2: A 69 MET CE :methyl -165:sc= -1.61 (180deg=0) USER MOD Set 2.3: A 79 CYS SG : rot 177:sc= -1.28 USER MOD Set 3.1: A 74 THR OG1 : rot 98:sc= 1.32 USER MOD Set 3.2: A 78 SER OG : rot -157:sc= -1.05 USER MOD Set 4.1: A 11 MET CE :methyl -169:sc= -3.59! (180deg=-4.04!) USER MOD Set 4.2: A 65 TYR OH : rot 103:sc= -2.48! USER MOD Set 5.1: A 44 GLN : amide:sc= -6.63! C(o=-7.4!,f=-9.6!) USER MOD Set 5.2: A 48 THR OG1 : rot 147:sc= -1.59! USER MOD Set 5.3: A 51 CYS SG : rot -163:sc= 0.798 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= 0.00134 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 21 ASN : amide:sc= -7.13! C(o=-7.1!,f=-5.5!) USER MOD Single : A 22 HIS : no HD1:sc= -6.12! K(o=-6.1!,f=-3.5) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -2.06! USER MOD Single : A 25 HIS : no HE2:sc= -11.4! C(o=-11!,f=-20!) USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0.0011 (180deg=2.27e-05) USER MOD Single : A 29 LYS NZ :NH3+ -140:sc= -0.125 (180deg=-1.19!) 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= -1.83 K(o=-1.8,f=-2.6!) USER MOD Single : A 35 HIS : no HD1:sc= -6.01! C(o=-6!,f=-5.6!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.495 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.406 X(o=-0.41,f=-0.23) USER MOD Single : A 54 ASN : amide:sc= -3.89! K(o=-3.9!,f=-1.7) USER MOD Single : A 55 MET CE :methyl -118:sc= -0.127 (180deg=-1.37) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= -1.35 (180deg=-1.43) 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= -7.62! C(o=-7.6!,f=-14!) USER MOD Single : A 70 HIS : no HE2:sc= -7.07! C(o=-7.1!,f=-18!) USER MOD Single : A 72 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.618) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HE2:sc= -4.07! C(o=-4.1!,f=-14!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0453) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 8:sc= 0.493 USER MOD Single : A 100 CYS SG : rot 180:sc= 0.198 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -135:sc= 0.563! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot -110:sc= -2.39! USER MOD Single : A 106 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-1.5) USER MOD Single : A 107 SER OG : rot 180:sc= 0.143 USER MOD ----------------------------------------------------------------- ATOM 13 N PRO A 2 17.656 12.832 3.462 1.00 0.00 N ATOM 14 CA PRO A 2 16.403 12.580 4.215 1.00 0.00 C ATOM 15 C PRO A 2 16.655 11.620 5.375 1.00 0.00 C ATOM 16 O PRO A 2 17.520 10.770 5.314 1.00 0.00 O ATOM 17 CB PRO A 2 15.487 11.933 3.183 1.00 0.00 C ATOM 18 CG PRO A 2 16.407 11.327 2.171 1.00 0.00 C ATOM 19 CD PRO A 2 17.659 12.167 2.155 1.00 0.00 C ATOM 0 HA PRO A 2 15.984 13.487 4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.850 11.176 3.641 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.827 12.670 2.725 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.639 10.294 2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.940 11.311 1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.550 11.553 2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.644 12.890 1.339 1.00 0.00 H new ATOM 27 N LYS A 3 15.893 11.737 6.425 1.00 0.00 N ATOM 28 CA LYS A 3 16.085 10.814 7.577 1.00 0.00 C ATOM 29 C LYS A 3 14.908 9.858 7.689 1.00 0.00 C ATOM 30 O LYS A 3 13.956 10.104 8.404 1.00 0.00 O ATOM 31 CB LYS A 3 16.156 11.679 8.825 1.00 0.00 C ATOM 32 CG LYS A 3 15.295 12.935 8.656 1.00 0.00 C ATOM 33 CD LYS A 3 16.111 14.024 7.957 1.00 0.00 C ATOM 34 CE LYS A 3 16.030 15.320 8.765 1.00 0.00 C ATOM 35 NZ LYS A 3 17.440 15.640 9.122 1.00 0.00 N ATOM 0 H LYS A 3 15.150 12.427 6.536 1.00 0.00 H new ATOM 0 HA LYS A 3 16.991 10.221 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.814 11.110 9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.190 11.963 9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.404 12.702 8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 3 14.955 13.289 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.150 13.708 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.731 14.187 6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.579 16.122 8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.416 15.192 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.466 16.518 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.841 14.862 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.999 15.764 8.253 1.00 0.00 H new ATOM 49 N ALA A 4 14.970 8.766 6.999 1.00 0.00 N ATOM 50 CA ALA A 4 13.858 7.778 7.075 1.00 0.00 C ATOM 51 C ALA A 4 13.416 7.636 8.532 1.00 0.00 C ATOM 52 O ALA A 4 14.237 7.532 9.422 1.00 0.00 O ATOM 53 CB ALA A 4 14.443 6.465 6.553 1.00 0.00 C ATOM 0 H ALA A 4 15.741 8.508 6.383 1.00 0.00 H new ATOM 0 HA ALA A 4 12.986 8.077 6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.678 5.689 6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.785 6.601 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.284 6.167 7.179 1.00 0.00 H new ATOM 59 N PRO A 5 12.130 7.654 8.730 1.00 0.00 N ATOM 60 CA PRO A 5 11.574 7.547 10.092 1.00 0.00 C ATOM 61 C PRO A 5 11.615 6.107 10.595 1.00 0.00 C ATOM 62 O PRO A 5 11.693 5.165 9.831 1.00 0.00 O ATOM 63 CB PRO A 5 10.148 8.060 9.942 1.00 0.00 C ATOM 64 CG PRO A 5 9.797 7.882 8.494 1.00 0.00 C ATOM 65 CD PRO A 5 11.086 7.770 7.711 1.00 0.00 C ATOM 0 HA PRO A 5 12.141 8.116 10.829 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.463 7.503 10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.077 9.107 10.235 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.189 6.988 8.356 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.207 8.727 8.138 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.076 6.901 7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.244 8.645 7.080 1.00 0.00 H new ATOM 73 N ALA A 6 11.579 5.941 11.885 1.00 0.00 N ATOM 74 CA ALA A 6 11.632 4.580 12.474 1.00 0.00 C ATOM 75 C ALA A 6 10.515 3.709 11.913 1.00 0.00 C ATOM 76 O ALA A 6 9.475 4.186 11.503 1.00 0.00 O ATOM 77 CB ALA A 6 11.443 4.790 13.975 1.00 0.00 C ATOM 0 H ALA A 6 11.514 6.700 12.563 1.00 0.00 H new ATOM 0 HA ALA A 6 12.569 4.073 12.246 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.470 3.826 14.483 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.243 5.425 14.357 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.481 5.269 14.157 1.00 0.00 H new ATOM 83 N ASP A 7 10.727 2.430 11.907 1.00 0.00 N ATOM 84 CA ASP A 7 9.695 1.498 11.394 1.00 0.00 C ATOM 85 C ASP A 7 8.451 1.587 12.275 1.00 0.00 C ATOM 86 O ASP A 7 8.501 2.053 13.395 1.00 0.00 O ATOM 87 CB ASP A 7 10.325 0.111 11.503 1.00 0.00 C ATOM 88 CG ASP A 7 11.770 0.162 11.000 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.004 0.814 9.995 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.617 -0.449 11.629 1.00 0.00 O ATOM 0 H ASP A 7 11.582 1.984 12.240 1.00 0.00 H new ATOM 0 HA ASP A 7 9.393 1.725 10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.301 -0.230 12.538 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.751 -0.607 10.918 1.00 0.00 H new ATOM 95 N GLY A 8 7.344 1.139 11.778 1.00 0.00 N ATOM 96 CA GLY A 8 6.092 1.187 12.582 1.00 0.00 C ATOM 97 C GLY A 8 5.311 2.463 12.267 1.00 0.00 C ATOM 98 O GLY A 8 4.481 2.894 13.041 1.00 0.00 O ATOM 0 H GLY A 8 7.245 0.738 10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.478 0.313 12.365 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.332 1.152 13.645 1.00 0.00 H new ATOM 102 N LEU A 9 5.552 3.068 11.135 1.00 0.00 N ATOM 103 CA LEU A 9 4.795 4.307 10.793 1.00 0.00 C ATOM 104 C LEU A 9 3.323 3.962 10.621 1.00 0.00 C ATOM 105 O LEU A 9 2.953 3.192 9.758 1.00 0.00 O ATOM 106 CB LEU A 9 5.383 4.814 9.480 1.00 0.00 C ATOM 107 CG LEU A 9 5.583 6.324 9.584 1.00 0.00 C ATOM 108 CD1 LEU A 9 6.843 6.725 8.814 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.373 7.052 8.990 1.00 0.00 C ATOM 0 H LEU A 9 6.232 2.763 10.439 1.00 0.00 H new ATOM 0 HA LEU A 9 4.873 5.065 11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.333 4.320 9.276 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.716 4.577 8.651 1.00 0.00 H new ATOM 0 HG LEU A 9 5.690 6.599 10.633 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.987 7.803 8.888 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.707 6.214 9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.734 6.444 7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.522 8.129 9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.261 6.776 7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.474 6.770 9.538 1.00 0.00 H new ATOM 121 N LYS A 10 2.482 4.510 11.443 1.00 0.00 N ATOM 122 CA LYS A 10 1.034 4.190 11.332 1.00 0.00 C ATOM 123 C LYS A 10 0.320 5.188 10.426 1.00 0.00 C ATOM 124 O LYS A 10 0.165 6.347 10.756 1.00 0.00 O ATOM 125 CB LYS A 10 0.489 4.287 12.752 1.00 0.00 C ATOM 126 CG LYS A 10 0.401 2.887 13.363 1.00 0.00 C ATOM 127 CD LYS A 10 -0.441 2.939 14.638 1.00 0.00 C ATOM 128 CE LYS A 10 -1.744 2.166 14.421 1.00 0.00 C ATOM 129 NZ LYS A 10 -1.918 1.352 15.657 1.00 0.00 N ATOM 0 H LYS A 10 2.730 5.164 12.186 1.00 0.00 H new ATOM 0 HA LYS A 10 0.877 3.203 10.896 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.137 4.920 13.359 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.496 4.754 12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.044 2.194 12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.400 2.514 13.589 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.115 2.509 15.471 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.659 3.974 14.900 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.585 2.843 14.272 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.685 1.533 13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.792 0.793 15.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.106 0.712 15.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.978 1.982 16.482 1.00 0.00 H new ATOM 143 N MET A 11 -0.142 4.735 9.299 1.00 0.00 N ATOM 144 CA MET A 11 -0.880 5.639 8.377 1.00 0.00 C ATOM 145 C MET A 11 -2.365 5.543 8.694 1.00 0.00 C ATOM 146 O MET A 11 -2.986 4.524 8.478 1.00 0.00 O ATOM 147 CB MET A 11 -0.591 5.114 6.973 1.00 0.00 C ATOM 148 CG MET A 11 0.055 6.221 6.139 1.00 0.00 C ATOM 149 SD MET A 11 -0.927 7.736 6.273 1.00 0.00 S ATOM 150 CE MET A 11 -0.077 8.673 4.979 1.00 0.00 C ATOM 0 H MET A 11 -0.041 3.774 8.974 1.00 0.00 H new ATOM 0 HA MET A 11 -0.581 6.683 8.471 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.071 4.250 7.025 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.515 4.780 6.501 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.072 6.404 6.485 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.123 5.911 5.096 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.392 9.716 5.019 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.000 8.613 5.134 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.327 8.255 4.004 1.00 0.00 H new ATOM 160 N ASP A 12 -2.937 6.582 9.225 1.00 0.00 N ATOM 161 CA ASP A 12 -4.387 6.522 9.576 1.00 0.00 C ATOM 162 C ASP A 12 -5.206 7.425 8.663 1.00 0.00 C ATOM 163 O ASP A 12 -6.332 7.771 8.960 1.00 0.00 O ATOM 164 CB ASP A 12 -4.468 7.005 11.019 1.00 0.00 C ATOM 165 CG ASP A 12 -3.510 8.180 11.231 1.00 0.00 C ATOM 166 OD1 ASP A 12 -2.315 7.941 11.289 1.00 0.00 O ATOM 167 OD2 ASP A 12 -3.987 9.298 11.332 1.00 0.00 O ATOM 0 H ASP A 12 -2.472 7.466 9.432 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.790 5.516 9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.488 7.310 11.253 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.215 6.191 11.699 1.00 0.00 H new ATOM 172 N LYS A 13 -4.655 7.802 7.554 1.00 0.00 N ATOM 173 CA LYS A 13 -5.405 8.675 6.615 1.00 0.00 C ATOM 174 C LYS A 13 -6.799 8.095 6.361 1.00 0.00 C ATOM 175 O LYS A 13 -7.740 8.809 6.071 1.00 0.00 O ATOM 176 CB LYS A 13 -4.575 8.657 5.340 1.00 0.00 C ATOM 177 CG LYS A 13 -3.421 9.649 5.480 1.00 0.00 C ATOM 178 CD LYS A 13 -3.984 11.056 5.691 1.00 0.00 C ATOM 179 CE LYS A 13 -2.880 12.088 5.458 1.00 0.00 C ATOM 180 NZ LYS A 13 -3.569 13.408 5.516 1.00 0.00 N ATOM 0 H LYS A 13 -3.715 7.545 7.253 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.549 9.685 6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.189 7.654 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.196 8.921 4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.786 9.369 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.796 9.625 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.813 11.234 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.380 11.153 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.103 12.014 6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.396 11.937 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.876 14.168 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.298 13.452 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.015 13.526 6.448 1.00 0.00 H new ATOM 194 N THR A 14 -6.935 6.803 6.469 1.00 0.00 N ATOM 195 CA THR A 14 -8.267 6.166 6.236 1.00 0.00 C ATOM 196 C THR A 14 -8.741 5.434 7.495 1.00 0.00 C ATOM 197 O THR A 14 -8.080 5.439 8.515 1.00 0.00 O ATOM 198 CB THR A 14 -8.041 5.173 5.096 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.896 4.384 5.378 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.828 5.938 3.791 1.00 0.00 C ATOM 0 H THR A 14 -6.182 6.158 6.709 1.00 0.00 H new ATOM 0 HA THR A 14 -9.033 6.902 5.992 1.00 0.00 H new ATOM 0 HB THR A 14 -8.912 4.525 4.998 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.751 3.746 4.649 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.667 5.231 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.708 6.544 3.576 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.957 6.586 3.887 1.00 0.00 H new ATOM 208 N LYS A 15 -9.881 4.799 7.427 1.00 0.00 N ATOM 209 CA LYS A 15 -10.399 4.061 8.614 1.00 0.00 C ATOM 210 C LYS A 15 -9.528 2.834 8.883 1.00 0.00 C ATOM 211 O LYS A 15 -9.467 2.331 9.987 1.00 0.00 O ATOM 212 CB LYS A 15 -11.817 3.639 8.232 1.00 0.00 C ATOM 213 CG LYS A 15 -12.823 4.619 8.839 1.00 0.00 C ATOM 214 CD LYS A 15 -13.701 5.204 7.731 1.00 0.00 C ATOM 215 CE LYS A 15 -14.830 4.226 7.402 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.780 5.006 6.561 1.00 0.00 N ATOM 0 H LYS A 15 -10.476 4.760 6.599 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.388 4.668 9.519 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.922 3.619 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.016 2.629 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.442 4.110 9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.298 5.419 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.116 6.161 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.102 5.396 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.454 3.354 6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.313 3.861 8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.584 4.402 6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.126 5.826 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.294 5.335 5.702 1.00 0.00 H new ATOM 230 N GLN A 16 -8.845 2.356 7.880 1.00 0.00 N ATOM 231 CA GLN A 16 -7.964 1.169 8.070 1.00 0.00 C ATOM 232 C GLN A 16 -6.505 1.622 8.118 1.00 0.00 C ATOM 233 O GLN A 16 -5.811 1.591 7.123 1.00 0.00 O ATOM 234 CB GLN A 16 -8.217 0.285 6.847 1.00 0.00 C ATOM 235 CG GLN A 16 -9.493 -0.531 7.062 1.00 0.00 C ATOM 236 CD GLN A 16 -10.550 -0.104 6.041 1.00 0.00 C ATOM 237 OE1 GLN A 16 -11.177 0.925 6.191 1.00 0.00 O ATOM 238 NE2 GLN A 16 -10.775 -0.858 5.000 1.00 0.00 N ATOM 0 H GLN A 16 -8.859 2.737 6.934 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.169 0.635 8.998 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.313 0.901 5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.370 -0.381 6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.279 -1.595 6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.868 -0.380 8.074 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.249 -1.723 4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.477 -0.583 4.313 1.00 0.00 H new ATOM 247 N PRO A 17 -6.095 2.042 9.283 1.00 0.00 N ATOM 248 CA PRO A 17 -4.706 2.529 9.479 1.00 0.00 C ATOM 249 C PRO A 17 -3.692 1.392 9.328 1.00 0.00 C ATOM 250 O PRO A 17 -3.781 0.372 9.981 1.00 0.00 O ATOM 251 CB PRO A 17 -4.717 3.075 10.905 1.00 0.00 C ATOM 252 CG PRO A 17 -5.835 2.349 11.580 1.00 0.00 C ATOM 253 CD PRO A 17 -6.876 2.100 10.522 1.00 0.00 C ATOM 0 HA PRO A 17 -4.412 3.276 8.742 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.766 2.893 11.406 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.881 4.153 10.915 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.486 1.410 12.010 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.246 2.941 12.398 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.416 1.170 10.701 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.618 2.898 10.492 1.00 0.00 H new ATOM 261 N VAL A 18 -2.724 1.569 8.469 1.00 0.00 N ATOM 262 CA VAL A 18 -1.693 0.517 8.266 1.00 0.00 C ATOM 263 C VAL A 18 -0.335 1.016 8.760 1.00 0.00 C ATOM 264 O VAL A 18 0.056 2.139 8.511 1.00 0.00 O ATOM 265 CB VAL A 18 -1.668 0.290 6.757 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.403 -0.477 6.382 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.899 -0.518 6.340 1.00 0.00 C ATOM 0 H VAL A 18 -2.605 2.405 7.896 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.912 -0.400 8.814 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.677 1.252 6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.383 -0.641 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.473 0.100 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.395 -1.439 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.880 -0.680 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.893 -1.481 6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.802 0.030 6.609 1.00 0.00 H new ATOM 277 N VAL A 19 0.383 0.190 9.466 1.00 0.00 N ATOM 278 CA VAL A 19 1.713 0.611 9.990 1.00 0.00 C ATOM 279 C VAL A 19 2.824 0.265 8.990 1.00 0.00 C ATOM 280 O VAL A 19 3.090 -0.891 8.728 1.00 0.00 O ATOM 281 CB VAL A 19 1.885 -0.202 11.270 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.207 0.170 11.941 1.00 0.00 C ATOM 283 CG2 VAL A 19 0.726 0.097 12.225 1.00 0.00 C ATOM 0 H VAL A 19 0.106 -0.762 9.704 1.00 0.00 H new ATOM 0 HA VAL A 19 1.771 1.686 10.160 1.00 0.00 H new ATOM 0 HB VAL A 19 1.890 -1.264 11.025 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.328 -0.412 12.855 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.033 -0.045 11.262 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.205 1.232 12.185 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.849 -0.484 13.139 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.720 1.160 12.468 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.217 -0.172 11.748 1.00 0.00 H new ATOM 293 N PHE A 20 3.485 1.250 8.434 1.00 0.00 N ATOM 294 CA PHE A 20 4.581 0.946 7.464 1.00 0.00 C ATOM 295 C PHE A 20 5.907 0.775 8.208 1.00 0.00 C ATOM 296 O PHE A 20 6.214 1.509 9.126 1.00 0.00 O ATOM 297 CB PHE A 20 4.663 2.150 6.524 1.00 0.00 C ATOM 298 CG PHE A 20 5.762 1.908 5.513 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.707 0.789 4.677 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.839 2.798 5.416 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.725 0.561 3.744 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.856 2.569 4.484 1.00 0.00 C ATOM 303 CZ PHE A 20 7.800 1.451 3.648 1.00 0.00 C ATOM 0 H PHE A 20 3.316 2.241 8.607 1.00 0.00 H new ATOM 0 HA PHE A 20 4.385 0.024 6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.710 2.298 6.016 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.866 3.058 7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.879 0.100 4.751 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.884 3.662 6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.681 -0.303 3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.685 3.257 4.410 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.586 1.274 2.928 1.00 0.00 H new ATOM 313 N ASN A 21 6.696 -0.186 7.819 1.00 0.00 N ATOM 314 CA ASN A 21 7.997 -0.402 8.497 1.00 0.00 C ATOM 315 C ASN A 21 9.145 -0.145 7.519 1.00 0.00 C ATOM 316 O ASN A 21 9.534 -1.013 6.762 1.00 0.00 O ATOM 317 CB ASN A 21 7.964 -1.867 8.909 1.00 0.00 C ATOM 318 CG ASN A 21 8.105 -1.984 10.427 1.00 0.00 C ATOM 319 OD1 ASN A 21 9.028 -2.605 10.917 1.00 0.00 O ATOM 320 ND2 ASN A 21 7.223 -1.410 11.199 1.00 0.00 N ATOM 0 H ASN A 21 6.492 -0.833 7.057 1.00 0.00 H new ATOM 0 HA ASN A 21 8.150 0.265 9.346 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.029 -2.324 8.586 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.771 -2.410 8.417 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.308 -1.483 12.213 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.448 -0.889 10.789 1.00 0.00 H new ATOM 327 N HIS A 22 9.692 1.039 7.524 1.00 0.00 N ATOM 328 CA HIS A 22 10.813 1.342 6.589 1.00 0.00 C ATOM 329 C HIS A 22 11.877 0.247 6.680 1.00 0.00 C ATOM 330 O HIS A 22 12.504 -0.103 5.701 1.00 0.00 O ATOM 331 CB HIS A 22 11.381 2.679 7.064 1.00 0.00 C ATOM 332 CG HIS A 22 10.606 3.814 6.448 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.780 4.634 7.202 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.544 4.301 5.163 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.268 5.565 6.378 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.702 5.409 5.125 1.00 0.00 N ATOM 0 H HIS A 22 9.413 1.808 8.133 1.00 0.00 H new ATOM 0 HA HIS A 22 10.485 1.388 5.551 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.330 2.740 8.151 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.433 2.755 6.790 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.068 3.887 4.314 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.589 6.344 6.691 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.467 5.980 4.313 1.00 0.00 H new ATOM 344 N SER A 23 12.083 -0.302 7.846 1.00 0.00 N ATOM 345 CA SER A 23 13.105 -1.378 7.990 1.00 0.00 C ATOM 346 C SER A 23 12.886 -2.443 6.915 1.00 0.00 C ATOM 347 O SER A 23 13.819 -2.919 6.298 1.00 0.00 O ATOM 348 CB SER A 23 12.873 -1.966 9.382 1.00 0.00 C ATOM 349 OG SER A 23 13.117 -3.366 9.347 1.00 0.00 O ATOM 0 H SER A 23 11.589 -0.053 8.703 1.00 0.00 H new ATOM 0 HA SER A 23 14.123 -1.005 7.875 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.533 -1.488 10.106 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.851 -1.771 9.706 1.00 0.00 H new ATOM 0 HG SER A 23 12.971 -3.746 10.238 1.00 0.00 H new ATOM 355 N THR A 24 11.657 -2.813 6.679 1.00 0.00 N ATOM 356 CA THR A 24 11.376 -3.837 5.634 1.00 0.00 C ATOM 357 C THR A 24 11.513 -3.208 4.248 1.00 0.00 C ATOM 358 O THR A 24 11.452 -3.881 3.238 1.00 0.00 O ATOM 359 CB THR A 24 9.932 -4.279 5.884 1.00 0.00 C ATOM 360 OG1 THR A 24 9.531 -3.864 7.182 1.00 0.00 O ATOM 361 CG2 THR A 24 9.837 -5.801 5.781 1.00 0.00 C ATOM 0 H THR A 24 10.836 -2.451 7.164 1.00 0.00 H new ATOM 0 HA THR A 24 12.067 -4.679 5.678 1.00 0.00 H new ATOM 0 HB THR A 24 9.278 -3.826 5.139 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.606 -4.144 7.344 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.808 -6.114 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.145 -6.118 4.785 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.489 -6.257 6.525 1.00 0.00 H new ATOM 369 N HIS A 25 11.686 -1.916 4.196 1.00 0.00 N ATOM 370 CA HIS A 25 11.816 -1.231 2.889 1.00 0.00 C ATOM 371 C HIS A 25 13.171 -0.530 2.786 1.00 0.00 C ATOM 372 O HIS A 25 13.527 0.003 1.753 1.00 0.00 O ATOM 373 CB HIS A 25 10.666 -0.234 2.899 1.00 0.00 C ATOM 374 CG HIS A 25 9.395 -0.995 3.137 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.939 -1.287 4.412 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.499 -1.572 2.276 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.815 -2.013 4.283 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.505 -2.216 3.002 1.00 0.00 N ATOM 0 H HIS A 25 11.743 -1.305 5.011 1.00 0.00 H new ATOM 0 HA HIS A 25 11.771 -1.907 2.035 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.815 0.512 3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.618 0.302 1.951 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.376 -1.003 5.289 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.557 -1.532 1.198 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.235 -2.386 5.114 1.00 0.00 H new ATOM 386 N LYS A 26 13.938 -0.538 3.842 1.00 0.00 N ATOM 387 CA LYS A 26 15.275 0.115 3.791 1.00 0.00 C ATOM 388 C LYS A 26 16.071 -0.452 2.613 1.00 0.00 C ATOM 389 O LYS A 26 16.945 0.193 2.070 1.00 0.00 O ATOM 390 CB LYS A 26 15.945 -0.238 5.121 1.00 0.00 C ATOM 391 CG LYS A 26 16.421 -1.694 5.088 1.00 0.00 C ATOM 392 CD LYS A 26 17.245 -1.989 6.342 1.00 0.00 C ATOM 393 CE LYS A 26 17.602 -3.476 6.380 1.00 0.00 C ATOM 394 NZ LYS A 26 16.781 -4.041 7.487 1.00 0.00 N ATOM 0 H LYS A 26 13.697 -0.967 4.735 1.00 0.00 H new ATOM 0 HA LYS A 26 15.213 1.194 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.790 0.427 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.244 -0.093 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.565 -2.367 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.021 -1.872 4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.153 -1.386 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.680 -1.717 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.373 -3.961 5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.666 -3.622 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.893 -5.075 7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.095 -3.638 8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.780 -3.805 7.332 1.00 0.00 H new ATOM 408 N ALA A 27 15.760 -1.655 2.212 1.00 0.00 N ATOM 409 CA ALA A 27 16.481 -2.272 1.063 1.00 0.00 C ATOM 410 C ALA A 27 15.712 -1.999 -0.232 1.00 0.00 C ATOM 411 O ALA A 27 16.156 -2.333 -1.313 1.00 0.00 O ATOM 412 CB ALA A 27 16.508 -3.770 1.369 1.00 0.00 C ATOM 0 H ALA A 27 15.036 -2.238 2.632 1.00 0.00 H new ATOM 0 HA ALA A 27 17.486 -1.870 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.024 -4.296 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.032 -3.940 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.487 -4.143 1.450 1.00 0.00 H new ATOM 418 N VAL A 28 14.565 -1.385 -0.128 1.00 0.00 N ATOM 419 CA VAL A 28 13.767 -1.076 -1.346 1.00 0.00 C ATOM 420 C VAL A 28 14.306 0.195 -1.986 1.00 0.00 C ATOM 421 O VAL A 28 15.215 0.818 -1.475 1.00 0.00 O ATOM 422 CB VAL A 28 12.339 -0.864 -0.843 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.483 -0.241 -1.944 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.739 -2.211 -0.438 1.00 0.00 C ATOM 0 H VAL A 28 14.146 -1.084 0.752 1.00 0.00 H new ATOM 0 HA VAL A 28 13.812 -1.866 -2.095 1.00 0.00 H new ATOM 0 HB VAL A 28 12.359 -0.194 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.468 -0.094 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.907 0.720 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.463 -0.904 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.721 -2.062 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.726 -2.878 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.342 -2.654 0.354 1.00 0.00 H new ATOM 434 N LYS A 29 13.760 0.596 -3.094 1.00 0.00 N ATOM 435 CA LYS A 29 14.263 1.834 -3.733 1.00 0.00 C ATOM 436 C LYS A 29 13.485 3.033 -3.222 1.00 0.00 C ATOM 437 O LYS A 29 12.351 3.264 -3.590 1.00 0.00 O ATOM 438 CB LYS A 29 14.037 1.660 -5.223 1.00 0.00 C ATOM 439 CG LYS A 29 15.389 1.585 -5.927 1.00 0.00 C ATOM 440 CD LYS A 29 15.841 0.126 -6.017 1.00 0.00 C ATOM 441 CE LYS A 29 16.229 -0.202 -7.461 1.00 0.00 C ATOM 442 NZ LYS A 29 14.974 -0.029 -8.244 1.00 0.00 N ATOM 0 H LYS A 29 12.996 0.126 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 29 15.316 2.003 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.463 0.753 -5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.454 2.494 -5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.315 2.015 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.128 2.172 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.689 -0.044 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.040 -0.535 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.014 0.464 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.611 -1.219 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.902 -0.784 -8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.156 -0.078 -7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.986 0.896 -8.720 1.00 0.00 H new ATOM 456 N CYS A 30 14.093 3.798 -2.378 1.00 0.00 N ATOM 457 CA CYS A 30 13.401 5.003 -1.838 1.00 0.00 C ATOM 458 C CYS A 30 12.741 5.758 -2.992 1.00 0.00 C ATOM 459 O CYS A 30 11.790 6.492 -2.811 1.00 0.00 O ATOM 460 CB CYS A 30 14.498 5.855 -1.196 1.00 0.00 C ATOM 461 SG CYS A 30 14.927 5.173 0.425 1.00 0.00 S ATOM 0 H CYS A 30 15.041 3.648 -2.032 1.00 0.00 H new ATOM 0 HA CYS A 30 12.625 4.752 -1.115 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.379 5.875 -1.838 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.157 6.885 -1.090 1.00 0.00 H new ATOM 0 HG CYS A 30 15.861 5.897 0.967 1.00 0.00 H new ATOM 466 N GLY A 31 13.245 5.573 -4.183 1.00 0.00 N ATOM 467 CA GLY A 31 12.658 6.267 -5.362 1.00 0.00 C ATOM 468 C GLY A 31 11.515 5.424 -5.931 1.00 0.00 C ATOM 469 O GLY A 31 10.718 5.896 -6.714 1.00 0.00 O ATOM 0 H GLY A 31 14.041 4.969 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.289 7.251 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.422 6.424 -6.123 1.00 0.00 H new ATOM 473 N ASP A 32 11.412 4.185 -5.537 1.00 0.00 N ATOM 474 CA ASP A 32 10.301 3.344 -6.054 1.00 0.00 C ATOM 475 C ASP A 32 9.031 3.693 -5.281 1.00 0.00 C ATOM 476 O ASP A 32 7.939 3.680 -5.811 1.00 0.00 O ATOM 477 CB ASP A 32 10.741 1.903 -5.800 1.00 0.00 C ATOM 478 CG ASP A 32 10.626 1.103 -7.099 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.619 1.246 -7.772 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.550 0.367 -7.399 1.00 0.00 O ATOM 0 H ASP A 32 12.045 3.723 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 32 10.090 3.498 -7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.769 1.883 -5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.120 1.452 -5.026 1.00 0.00 H new ATOM 485 N CYS A 33 9.181 4.055 -4.035 1.00 0.00 N ATOM 486 CA CYS A 33 8.001 4.464 -3.223 1.00 0.00 C ATOM 487 C CYS A 33 7.864 5.984 -3.332 1.00 0.00 C ATOM 488 O CYS A 33 6.875 6.499 -3.814 1.00 0.00 O ATOM 489 CB CYS A 33 8.331 4.054 -1.787 1.00 0.00 C ATOM 490 SG CYS A 33 8.102 2.268 -1.596 1.00 0.00 S ATOM 0 H CYS A 33 10.074 4.085 -3.544 1.00 0.00 H new ATOM 0 HA CYS A 33 7.068 4.006 -3.551 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.359 4.326 -1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.688 4.590 -1.088 1.00 0.00 H new ATOM 0 HG CYS A 33 8.385 1.922 -0.375 1.00 0.00 H new ATOM 495 N HIS A 34 8.878 6.702 -2.918 1.00 0.00 N ATOM 496 CA HIS A 34 8.842 8.185 -3.031 1.00 0.00 C ATOM 497 C HIS A 34 9.359 8.581 -4.414 1.00 0.00 C ATOM 498 O HIS A 34 10.186 9.461 -4.543 1.00 0.00 O ATOM 499 CB HIS A 34 9.806 8.705 -1.960 1.00 0.00 C ATOM 500 CG HIS A 34 9.258 8.453 -0.581 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.130 9.099 -0.097 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.699 7.654 0.444 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.937 8.684 1.169 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.866 7.805 1.547 1.00 0.00 N ATOM 0 H HIS A 34 9.730 6.320 -2.506 1.00 0.00 H new ATOM 0 HA HIS A 34 7.838 8.588 -2.900 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.774 8.215 -2.067 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.972 9.773 -2.101 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.552 9.767 -0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.562 7.006 0.400 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.129 9.022 1.801 1.00 0.00 H new ATOM 512 N HIS A 35 8.903 7.916 -5.444 1.00 0.00 N ATOM 513 CA HIS A 35 9.391 8.233 -6.819 1.00 0.00 C ATOM 514 C HIS A 35 9.722 9.721 -6.945 1.00 0.00 C ATOM 515 O HIS A 35 9.191 10.544 -6.227 1.00 0.00 O ATOM 516 CB HIS A 35 8.254 7.840 -7.759 1.00 0.00 C ATOM 517 CG HIS A 35 6.950 8.324 -7.214 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.549 9.623 -7.394 1.00 0.00 N ATOM 519 CD2 HIS A 35 5.941 7.703 -6.515 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.344 9.762 -6.820 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.920 8.619 -6.269 1.00 0.00 N ATOM 0 H HIS A 35 8.213 7.166 -5.392 1.00 0.00 H new ATOM 0 HA HIS A 35 10.308 7.694 -7.058 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.425 8.266 -8.748 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.228 6.757 -7.879 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.940 6.668 -6.206 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.784 10.685 -6.805 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.042 8.454 -5.777 1.00 0.00 H new ATOM 529 N PRO A 36 10.615 10.008 -7.853 1.00 0.00 N ATOM 530 CA PRO A 36 11.062 11.405 -8.075 1.00 0.00 C ATOM 531 C PRO A 36 9.936 12.272 -8.640 1.00 0.00 C ATOM 532 O PRO A 36 9.658 12.261 -9.823 1.00 0.00 O ATOM 533 CB PRO A 36 12.205 11.259 -9.079 1.00 0.00 C ATOM 534 CG PRO A 36 11.935 9.967 -9.775 1.00 0.00 C ATOM 535 CD PRO A 36 11.280 9.068 -8.760 1.00 0.00 C ATOM 0 HA PRO A 36 11.367 11.900 -7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.223 12.091 -9.782 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.173 11.244 -8.578 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.285 10.118 -10.637 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.860 9.525 -10.146 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.568 8.387 -9.226 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.012 8.453 -8.236 1.00 0.00 H new ATOM 602 N GLU A 41 12.292 13.180 -5.523 1.00 0.00 N ATOM 603 CA GLU A 41 11.432 12.178 -4.826 1.00 0.00 C ATOM 604 C GLU A 41 10.840 12.783 -3.556 1.00 0.00 C ATOM 605 O GLU A 41 11.545 13.063 -2.608 1.00 0.00 O ATOM 606 CB GLU A 41 12.363 11.021 -4.454 1.00 0.00 C ATOM 607 CG GLU A 41 12.672 10.183 -5.695 1.00 0.00 C ATOM 608 CD GLU A 41 13.969 9.403 -5.473 1.00 0.00 C ATOM 609 OE1 GLU A 41 13.948 8.468 -4.690 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.961 9.754 -6.090 1.00 0.00 O ATOM 0 HA GLU A 41 10.605 11.854 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.288 11.409 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.897 10.398 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.851 9.495 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.768 10.828 -6.568 1.00 0.00 H new ATOM 617 N ASP A 42 9.553 12.976 -3.517 1.00 0.00 N ATOM 618 CA ASP A 42 8.943 13.547 -2.287 1.00 0.00 C ATOM 619 C ASP A 42 9.090 12.548 -1.144 1.00 0.00 C ATOM 620 O ASP A 42 8.347 11.592 -1.040 1.00 0.00 O ATOM 621 CB ASP A 42 7.474 13.763 -2.615 1.00 0.00 C ATOM 622 CG ASP A 42 7.339 14.862 -3.670 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.023 15.863 -3.545 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.552 14.684 -4.585 1.00 0.00 O ATOM 0 H ASP A 42 8.903 12.766 -4.275 1.00 0.00 H new ATOM 0 HA ASP A 42 9.420 14.478 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.033 12.836 -2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.927 14.041 -1.714 1.00 0.00 H new ATOM 629 N TYR A 43 10.045 12.759 -0.294 1.00 0.00 N ATOM 630 CA TYR A 43 10.252 11.819 0.842 1.00 0.00 C ATOM 631 C TYR A 43 9.278 12.154 1.974 1.00 0.00 C ATOM 632 O TYR A 43 9.680 12.494 3.070 1.00 0.00 O ATOM 633 CB TYR A 43 11.695 12.046 1.293 1.00 0.00 C ATOM 634 CG TYR A 43 12.634 11.795 0.138 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.956 10.483 -0.235 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.188 12.875 -0.559 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.830 10.254 -1.304 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.061 12.647 -1.628 1.00 0.00 C ATOM 639 CZ TYR A 43 14.384 11.336 -2.000 1.00 0.00 C ATOM 640 OH TYR A 43 15.245 11.110 -3.054 1.00 0.00 O ATOM 0 H TYR A 43 10.696 13.543 -0.333 1.00 0.00 H new ATOM 0 HA TYR A 43 10.077 10.781 0.560 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.816 13.066 1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.936 11.380 2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.530 9.649 0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.941 13.886 -0.271 1.00 0.00 H new ATOM 0 HE1 TYR A 43 14.077 9.243 -1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.486 13.482 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 43 15.537 11.968 -3.427 1.00 0.00 H new ATOM 650 N GLN A 44 8.002 12.067 1.719 1.00 0.00 N ATOM 651 CA GLN A 44 7.008 12.391 2.784 1.00 0.00 C ATOM 652 C GLN A 44 5.897 11.340 2.818 1.00 0.00 C ATOM 653 O GLN A 44 5.793 10.502 1.945 1.00 0.00 O ATOM 654 CB GLN A 44 6.444 13.761 2.403 1.00 0.00 C ATOM 655 CG GLN A 44 6.118 13.787 0.908 1.00 0.00 C ATOM 656 CD GLN A 44 5.846 15.227 0.470 1.00 0.00 C ATOM 657 OE1 GLN A 44 4.771 15.539 -0.002 1.00 0.00 O ATOM 658 NE2 GLN A 44 6.783 16.126 0.608 1.00 0.00 N ATOM 0 H GLN A 44 7.604 11.787 0.823 1.00 0.00 H new ATOM 0 HA GLN A 44 7.460 12.400 3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.546 13.970 2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.167 14.542 2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.949 13.373 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.248 13.163 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.686 15.865 1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.612 17.089 0.320 1.00 0.00 H new ATOM 667 N LYS A 45 5.068 11.376 3.824 1.00 0.00 N ATOM 668 CA LYS A 45 3.969 10.376 3.921 1.00 0.00 C ATOM 669 C LYS A 45 3.310 10.180 2.557 1.00 0.00 C ATOM 670 O LYS A 45 2.890 11.124 1.917 1.00 0.00 O ATOM 671 CB LYS A 45 2.977 10.971 4.916 1.00 0.00 C ATOM 672 CG LYS A 45 3.296 10.465 6.324 1.00 0.00 C ATOM 673 CD LYS A 45 2.552 11.317 7.353 1.00 0.00 C ATOM 674 CE LYS A 45 3.558 11.943 8.321 1.00 0.00 C ATOM 675 NZ LYS A 45 2.737 12.787 9.234 1.00 0.00 N ATOM 0 H LYS A 45 5.104 12.056 4.584 1.00 0.00 H new ATOM 0 HA LYS A 45 4.329 9.398 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.029 12.059 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.960 10.693 4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.003 9.420 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.370 10.513 6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.981 12.098 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.838 10.703 7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.103 11.178 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.298 12.541 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.356 13.251 9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.235 13.510 8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.046 12.190 9.731 1.00 0.00 H new ATOM 689 N CYS A 46 3.218 8.960 2.109 1.00 0.00 N ATOM 690 CA CYS A 46 2.587 8.696 0.788 1.00 0.00 C ATOM 691 C CYS A 46 1.351 9.578 0.607 1.00 0.00 C ATOM 692 O CYS A 46 1.118 10.131 -0.448 1.00 0.00 O ATOM 693 CB CYS A 46 2.199 7.219 0.833 1.00 0.00 C ATOM 694 SG CYS A 46 3.694 6.208 0.990 1.00 0.00 S ATOM 0 H CYS A 46 3.554 8.133 2.602 1.00 0.00 H new ATOM 0 HA CYS A 46 3.253 8.918 -0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.531 7.033 1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.656 6.947 -0.072 1.00 0.00 H new ATOM 0 HG CYS A 46 3.394 4.958 0.798 1.00 0.00 H new ATOM 699 N ALA A 47 0.563 9.712 1.634 1.00 0.00 N ATOM 700 CA ALA A 47 -0.662 10.557 1.537 1.00 0.00 C ATOM 701 C ALA A 47 -0.399 11.947 2.110 1.00 0.00 C ATOM 702 O ALA A 47 -1.062 12.386 3.027 1.00 0.00 O ATOM 703 CB ALA A 47 -1.704 9.838 2.378 1.00 0.00 C ATOM 0 H ALA A 47 0.713 9.272 2.542 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.982 10.691 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.638 10.399 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.871 8.839 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.351 9.759 3.406 1.00 0.00 H new ATOM 709 N THR A 48 0.562 12.640 1.581 1.00 0.00 N ATOM 710 CA THR A 48 0.866 13.998 2.097 1.00 0.00 C ATOM 711 C THR A 48 -0.414 14.834 2.157 1.00 0.00 C ATOM 712 O THR A 48 -1.503 14.342 1.943 1.00 0.00 O ATOM 713 CB THR A 48 1.862 14.595 1.102 1.00 0.00 C ATOM 714 OG1 THR A 48 2.460 13.550 0.349 1.00 0.00 O ATOM 715 CG2 THR A 48 2.944 15.364 1.861 1.00 0.00 C ATOM 0 H THR A 48 1.153 12.325 0.811 1.00 0.00 H new ATOM 0 HA THR A 48 1.277 13.975 3.106 1.00 0.00 H new ATOM 0 HB THR A 48 1.341 15.276 0.429 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.653 13.869 -0.557 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.654 15.789 1.151 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.483 16.166 2.438 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.467 14.686 2.535 1.00 0.00 H new ATOM 723 N ALA A 49 -0.289 16.095 2.449 1.00 0.00 N ATOM 724 CA ALA A 49 -1.499 16.966 2.530 1.00 0.00 C ATOM 725 C ALA A 49 -1.986 17.342 1.132 1.00 0.00 C ATOM 726 O ALA A 49 -2.092 18.502 0.787 1.00 0.00 O ATOM 727 CB ALA A 49 -1.041 18.209 3.280 1.00 0.00 C ATOM 0 H ALA A 49 0.597 16.564 2.636 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.328 16.464 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.877 18.902 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.683 17.925 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.235 18.691 2.727 1.00 0.00 H new ATOM 733 N GLY A 50 -2.282 16.366 0.331 1.00 0.00 N ATOM 734 CA GLY A 50 -2.764 16.648 -1.052 1.00 0.00 C ATOM 735 C GLY A 50 -2.129 15.653 -2.020 1.00 0.00 C ATOM 736 O GLY A 50 -2.445 15.616 -3.192 1.00 0.00 O ATOM 0 H GLY A 50 -2.212 15.377 0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.850 16.571 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.506 17.667 -1.339 1.00 0.00 H new ATOM 740 N CYS A 51 -1.231 14.845 -1.532 1.00 0.00 N ATOM 741 CA CYS A 51 -0.561 13.846 -2.406 1.00 0.00 C ATOM 742 C CYS A 51 -1.478 12.632 -2.604 1.00 0.00 C ATOM 743 O CYS A 51 -2.216 12.556 -3.567 1.00 0.00 O ATOM 744 CB CYS A 51 0.712 13.490 -1.638 1.00 0.00 C ATOM 745 SG CYS A 51 2.143 13.693 -2.725 1.00 0.00 S ATOM 0 H CYS A 51 -0.931 14.835 -0.557 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.336 14.213 -3.407 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.813 14.130 -0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.658 12.463 -1.277 1.00 0.00 H new ATOM 0 HG CYS A 51 3.164 13.067 -2.219 1.00 0.00 H new ATOM 750 N HIS A 52 -1.464 11.697 -1.695 1.00 0.00 N ATOM 751 CA HIS A 52 -2.358 10.515 -1.827 1.00 0.00 C ATOM 752 C HIS A 52 -3.406 10.575 -0.716 1.00 0.00 C ATOM 753 O HIS A 52 -3.677 9.597 -0.049 1.00 0.00 O ATOM 754 CB HIS A 52 -1.453 9.296 -1.642 1.00 0.00 C ATOM 755 CG HIS A 52 -0.661 9.047 -2.886 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.272 8.873 -4.103 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.689 8.936 -3.118 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.307 8.665 -5.020 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.909 8.698 -4.470 1.00 0.00 N ATOM 0 H HIS A 52 -0.871 11.701 -0.865 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.877 10.478 -2.785 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.780 9.458 -0.800 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.056 8.419 -1.404 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.276 8.897 -4.281 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.460 9.021 -2.366 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.494 8.493 -6.070 1.00 0.00 H new ATOM 767 N ASP A 53 -3.973 11.730 -0.496 1.00 0.00 N ATOM 768 CA ASP A 53 -4.981 11.872 0.592 1.00 0.00 C ATOM 769 C ASP A 53 -6.408 11.840 0.038 1.00 0.00 C ATOM 770 O ASP A 53 -7.311 12.416 0.611 1.00 0.00 O ATOM 771 CB ASP A 53 -4.686 13.235 1.223 1.00 0.00 C ATOM 772 CG ASP A 53 -5.182 14.346 0.296 1.00 0.00 C ATOM 773 OD1 ASP A 53 -4.977 14.227 -0.901 1.00 0.00 O ATOM 774 OD2 ASP A 53 -5.757 15.297 0.798 1.00 0.00 O ATOM 0 H ASP A 53 -3.781 12.582 -1.023 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.915 11.054 1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.176 13.312 2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.615 13.343 1.397 1.00 0.00 H new ATOM 779 N ASN A 54 -6.636 11.164 -1.057 1.00 0.00 N ATOM 780 CA ASN A 54 -8.023 11.108 -1.596 1.00 0.00 C ATOM 781 C ASN A 54 -8.823 10.070 -0.810 1.00 0.00 C ATOM 782 O ASN A 54 -8.651 8.880 -0.981 1.00 0.00 O ATOM 783 CB ASN A 54 -7.878 10.690 -3.059 1.00 0.00 C ATOM 784 CG ASN A 54 -8.903 11.442 -3.909 1.00 0.00 C ATOM 785 OD1 ASN A 54 -8.994 12.652 -3.842 1.00 0.00 O ATOM 786 ND2 ASN A 54 -9.684 10.773 -4.712 1.00 0.00 N ATOM 0 H ASN A 54 -5.933 10.656 -1.593 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.546 12.060 -1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.869 10.906 -3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.027 9.615 -3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -10.371 11.266 -5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.608 9.757 -4.769 1.00 0.00 H new ATOM 793 N MET A 55 -9.685 10.510 0.064 1.00 0.00 N ATOM 794 CA MET A 55 -10.481 9.545 0.876 1.00 0.00 C ATOM 795 C MET A 55 -11.653 8.995 0.061 1.00 0.00 C ATOM 796 O MET A 55 -12.744 8.817 0.567 1.00 0.00 O ATOM 797 CB MET A 55 -10.989 10.357 2.066 1.00 0.00 C ATOM 798 CG MET A 55 -9.994 10.247 3.222 1.00 0.00 C ATOM 799 SD MET A 55 -9.471 11.904 3.728 1.00 0.00 S ATOM 800 CE MET A 55 -7.792 11.464 4.240 1.00 0.00 C ATOM 0 H MET A 55 -9.873 11.495 0.252 1.00 0.00 H new ATOM 0 HA MET A 55 -9.888 8.685 1.189 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.116 11.401 1.780 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.967 9.991 2.378 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.453 9.726 4.063 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.129 9.658 2.916 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.669 11.673 5.303 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.622 10.403 4.057 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.072 12.051 3.669 1.00 0.00 H new ATOM 810 N ASP A 56 -11.437 8.714 -1.194 1.00 0.00 N ATOM 811 CA ASP A 56 -12.536 8.165 -2.036 1.00 0.00 C ATOM 812 C ASP A 56 -12.213 6.723 -2.426 1.00 0.00 C ATOM 813 O ASP A 56 -13.057 5.993 -2.905 1.00 0.00 O ATOM 814 CB ASP A 56 -12.576 9.062 -3.273 1.00 0.00 C ATOM 815 CG ASP A 56 -14.011 9.148 -3.795 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.866 8.481 -3.235 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.232 9.878 -4.747 1.00 0.00 O ATOM 0 H ASP A 56 -10.546 8.841 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.495 8.153 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.208 10.058 -3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.920 8.663 -4.046 1.00 0.00 H new ATOM 822 N LYS A 57 -10.992 6.307 -2.221 1.00 0.00 N ATOM 823 CA LYS A 57 -10.610 4.913 -2.578 1.00 0.00 C ATOM 824 C LYS A 57 -11.124 4.573 -3.979 1.00 0.00 C ATOM 825 O LYS A 57 -11.305 3.423 -4.325 1.00 0.00 O ATOM 826 CB LYS A 57 -11.283 4.037 -1.522 1.00 0.00 C ATOM 827 CG LYS A 57 -11.052 4.636 -0.134 1.00 0.00 C ATOM 828 CD LYS A 57 -12.330 4.496 0.696 1.00 0.00 C ATOM 829 CE LYS A 57 -12.695 5.851 1.306 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.009 5.632 1.970 1.00 0.00 N ATOM 0 H LYS A 57 -10.244 6.873 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.530 4.766 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.352 3.963 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.880 3.025 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.225 4.127 0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.774 5.686 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.146 4.136 0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.185 3.758 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.941 6.178 2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.764 6.623 0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.326 6.518 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.709 5.328 1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.911 4.897 2.699 1.00 0.00 H new ATOM 844 N LYS A 58 -11.359 5.571 -4.787 1.00 0.00 N ATOM 845 CA LYS A 58 -11.859 5.317 -6.168 1.00 0.00 C ATOM 846 C LYS A 58 -11.004 6.078 -7.187 1.00 0.00 C ATOM 847 O LYS A 58 -10.973 5.745 -8.356 1.00 0.00 O ATOM 848 CB LYS A 58 -13.294 5.844 -6.173 1.00 0.00 C ATOM 849 CG LYS A 58 -14.101 5.137 -5.083 1.00 0.00 C ATOM 850 CD LYS A 58 -15.238 4.340 -5.723 1.00 0.00 C ATOM 851 CE LYS A 58 -16.268 3.969 -4.654 1.00 0.00 C ATOM 852 NZ LYS A 58 -17.029 2.828 -5.232 1.00 0.00 N ATOM 0 H LYS A 58 -11.226 6.554 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.812 4.262 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.298 6.921 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.752 5.674 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.454 4.472 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.505 5.868 -4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.711 4.928 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.845 3.438 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.783 3.687 -3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.925 4.809 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.755 2.517 -4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.486 3.128 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.379 2.040 -5.428 1.00 0.00 H new ATOM 866 N ASP A 59 -10.311 7.097 -6.756 1.00 0.00 N ATOM 867 CA ASP A 59 -9.462 7.875 -7.703 1.00 0.00 C ATOM 868 C ASP A 59 -8.330 6.996 -8.241 1.00 0.00 C ATOM 869 O ASP A 59 -7.327 6.788 -7.586 1.00 0.00 O ATOM 870 CB ASP A 59 -8.898 9.027 -6.871 1.00 0.00 C ATOM 871 CG ASP A 59 -7.744 9.687 -7.627 1.00 0.00 C ATOM 872 OD1 ASP A 59 -6.723 9.040 -7.793 1.00 0.00 O ATOM 873 OD2 ASP A 59 -7.901 10.830 -8.027 1.00 0.00 O ATOM 0 H ASP A 59 -10.296 7.424 -5.790 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.024 8.232 -8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.679 9.759 -6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.550 8.657 -5.907 1.00 0.00 H new ATOM 878 N LYS A 60 -8.483 6.479 -9.429 1.00 0.00 N ATOM 879 CA LYS A 60 -7.416 5.614 -10.010 1.00 0.00 C ATOM 880 C LYS A 60 -6.265 6.476 -10.540 1.00 0.00 C ATOM 881 O LYS A 60 -5.353 5.986 -11.177 1.00 0.00 O ATOM 882 CB LYS A 60 -8.097 4.861 -11.152 1.00 0.00 C ATOM 883 CG LYS A 60 -8.589 3.504 -10.648 1.00 0.00 C ATOM 884 CD LYS A 60 -9.415 3.698 -9.376 1.00 0.00 C ATOM 885 CE LYS A 60 -9.692 2.337 -8.733 1.00 0.00 C ATOM 886 NZ LYS A 60 -10.609 2.628 -7.596 1.00 0.00 N ATOM 0 H LYS A 60 -9.300 6.618 -10.023 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.987 4.934 -9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.934 5.443 -11.537 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.399 4.723 -11.978 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.192 3.017 -11.414 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.740 2.850 -10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.879 4.340 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.354 4.198 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.151 1.650 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.770 1.869 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.804 1.750 -7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.163 3.318 -6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.501 3.020 -7.961 1.00 0.00 H new ATOM 900 N SER A 61 -6.301 7.755 -10.285 1.00 0.00 N ATOM 901 CA SER A 61 -5.209 8.645 -10.774 1.00 0.00 C ATOM 902 C SER A 61 -3.991 8.543 -9.853 1.00 0.00 C ATOM 903 O SER A 61 -3.826 7.581 -9.131 1.00 0.00 O ATOM 904 CB SER A 61 -5.798 10.053 -10.733 1.00 0.00 C ATOM 905 OG SER A 61 -5.497 10.724 -11.949 1.00 0.00 O ATOM 0 H SER A 61 -7.039 8.223 -9.759 1.00 0.00 H new ATOM 0 HA SER A 61 -4.872 8.374 -11.775 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.877 10.004 -10.589 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.388 10.606 -9.888 1.00 0.00 H new ATOM 0 HG SER A 61 -5.875 11.628 -11.926 1.00 0.00 H new ATOM 911 N ALA A 62 -3.136 9.528 -9.873 1.00 0.00 N ATOM 912 CA ALA A 62 -1.928 9.485 -9.000 1.00 0.00 C ATOM 913 C ALA A 62 -2.144 10.341 -7.749 1.00 0.00 C ATOM 914 O ALA A 62 -1.213 10.895 -7.198 1.00 0.00 O ATOM 915 CB ALA A 62 -0.805 10.066 -9.857 1.00 0.00 C ATOM 0 H ALA A 62 -3.221 10.361 -10.456 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.703 8.475 -8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.123 10.070 -9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.678 9.457 -10.752 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.058 11.086 -10.145 1.00 0.00 H new ATOM 921 N LYS A 63 -3.364 10.460 -7.298 1.00 0.00 N ATOM 922 CA LYS A 63 -3.630 11.286 -6.085 1.00 0.00 C ATOM 923 C LYS A 63 -4.535 10.532 -5.108 1.00 0.00 C ATOM 924 O LYS A 63 -4.883 11.035 -4.059 1.00 0.00 O ATOM 925 CB LYS A 63 -4.343 12.531 -6.608 1.00 0.00 C ATOM 926 CG LYS A 63 -3.857 13.761 -5.838 1.00 0.00 C ATOM 927 CD LYS A 63 -4.897 14.147 -4.784 1.00 0.00 C ATOM 928 CE LYS A 63 -5.351 15.589 -5.020 1.00 0.00 C ATOM 929 NZ LYS A 63 -6.825 15.501 -5.213 1.00 0.00 N ATOM 0 H LYS A 63 -4.185 10.023 -7.715 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.714 11.527 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.146 12.655 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.421 12.420 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.900 13.550 -5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.694 14.592 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.751 13.472 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.473 14.047 -3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.101 16.226 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.863 16.018 -5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.211 16.452 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.032 14.894 -6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.263 15.095 -4.362 1.00 0.00 H new ATOM 943 N GLY A 64 -4.923 9.333 -5.442 1.00 0.00 N ATOM 944 CA GLY A 64 -5.806 8.563 -4.529 1.00 0.00 C ATOM 945 C GLY A 64 -4.959 7.833 -3.494 1.00 0.00 C ATOM 946 O GLY A 64 -3.899 7.318 -3.790 1.00 0.00 O ATOM 0 H GLY A 64 -4.666 8.856 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.507 9.234 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.399 7.847 -5.098 1.00 0.00 H new ATOM 950 N TYR A 65 -5.419 7.790 -2.280 1.00 0.00 N ATOM 951 CA TYR A 65 -4.645 7.098 -1.212 1.00 0.00 C ATOM 952 C TYR A 65 -4.758 5.581 -1.358 1.00 0.00 C ATOM 953 O TYR A 65 -3.776 4.871 -1.336 1.00 0.00 O ATOM 954 CB TYR A 65 -5.293 7.534 0.101 1.00 0.00 C ATOM 955 CG TYR A 65 -4.390 7.137 1.243 1.00 0.00 C ATOM 956 CD1 TYR A 65 -3.009 7.348 1.148 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.931 6.548 2.390 1.00 0.00 C ATOM 958 CE1 TYR A 65 -2.170 6.971 2.203 1.00 0.00 C ATOM 959 CE2 TYR A 65 -4.092 6.169 3.444 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.712 6.381 3.351 1.00 0.00 C ATOM 961 OH TYR A 65 -1.884 6.007 4.390 1.00 0.00 O ATOM 0 H TYR A 65 -6.300 8.205 -1.977 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.586 7.351 -1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.453 8.612 0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.271 7.066 0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.591 7.801 0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.996 6.386 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.105 7.135 2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.510 5.713 4.329 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.947 6.666 5.112 1.00 0.00 H new ATOM 971 N TYR A 66 -5.953 5.081 -1.489 1.00 0.00 N ATOM 972 CA TYR A 66 -6.140 3.612 -1.611 1.00 0.00 C ATOM 973 C TYR A 66 -5.806 3.143 -3.032 1.00 0.00 C ATOM 974 O TYR A 66 -5.769 1.963 -3.311 1.00 0.00 O ATOM 975 CB TYR A 66 -7.619 3.405 -1.275 1.00 0.00 C ATOM 976 CG TYR A 66 -8.160 2.203 -2.004 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.331 2.251 -3.388 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.490 1.045 -1.293 1.00 0.00 C ATOM 979 CE1 TYR A 66 -8.834 1.136 -4.071 1.00 0.00 C ATOM 980 CE2 TYR A 66 -8.993 -0.070 -1.972 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.164 -0.025 -3.361 1.00 0.00 C ATOM 982 OH TYR A 66 -9.660 -1.126 -4.032 1.00 0.00 O ATOM 0 H TYR A 66 -6.812 5.630 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.487 3.037 -0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.739 3.271 -0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.189 4.292 -1.551 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.076 3.148 -3.933 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.357 1.011 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.967 1.172 -5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.249 -0.965 -1.425 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.837 -1.847 -3.392 1.00 0.00 H new ATOM 992 N HIS A 67 -5.555 4.050 -3.932 1.00 0.00 N ATOM 993 CA HIS A 67 -5.217 3.632 -5.323 1.00 0.00 C ATOM 994 C HIS A 67 -3.750 3.204 -5.405 1.00 0.00 C ATOM 995 O HIS A 67 -3.440 2.047 -5.605 1.00 0.00 O ATOM 996 CB HIS A 67 -5.460 4.868 -6.188 1.00 0.00 C ATOM 997 CG HIS A 67 -4.736 4.697 -7.493 1.00 0.00 C ATOM 998 ND1 HIS A 67 -5.133 3.765 -8.437 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.620 5.303 -8.012 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.267 3.831 -9.462 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.324 4.753 -9.255 1.00 0.00 N ATOM 0 H HIS A 67 -5.568 5.057 -3.768 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.817 2.784 -5.651 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.527 5.002 -6.364 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.107 5.763 -5.675 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.937 3.141 -8.367 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.057 6.088 -7.529 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.326 3.213 -10.346 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.846 4.132 -5.262 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.399 3.785 -5.342 1.00 0.00 C ATOM 1011 C ALA A 68 -1.055 2.650 -4.371 1.00 0.00 C ATOM 1012 O ALA A 68 -0.017 2.033 -4.474 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.664 5.065 -4.944 1.00 0.00 C ATOM 0 H ALA A 68 -3.047 5.118 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.120 3.439 -6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.412 4.892 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.925 5.865 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.954 5.352 -3.933 1.00 0.00 H new ATOM 1019 N MET A 69 -1.903 2.378 -3.417 1.00 0.00 N ATOM 1020 CA MET A 69 -1.595 1.292 -2.442 1.00 0.00 C ATOM 1021 C MET A 69 -2.133 -0.057 -2.916 1.00 0.00 C ATOM 1022 O MET A 69 -1.461 -1.063 -2.819 1.00 0.00 O ATOM 1023 CB MET A 69 -2.283 1.725 -1.153 1.00 0.00 C ATOM 1024 CG MET A 69 -1.685 3.052 -0.689 1.00 0.00 C ATOM 1025 SD MET A 69 -0.601 2.768 0.731 1.00 0.00 S ATOM 1026 CE MET A 69 0.683 3.956 0.268 1.00 0.00 C ATOM 0 H MET A 69 -2.791 2.857 -3.270 1.00 0.00 H new ATOM 0 HA MET A 69 -0.521 1.155 -2.316 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.355 1.833 -1.317 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.153 0.964 -0.383 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.123 3.513 -1.501 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.481 3.746 -0.418 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.582 3.768 0.856 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.913 3.848 -0.792 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.329 4.969 0.461 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.334 -0.101 -3.418 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.885 -1.406 -3.876 1.00 0.00 C ATOM 1038 C HIS A 70 -3.710 -1.565 -5.387 1.00 0.00 C ATOM 1039 O HIS A 70 -3.784 -2.655 -5.918 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.368 -1.356 -3.520 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.521 -0.976 -2.076 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.871 0.305 -1.686 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.383 -1.696 -0.918 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.933 0.319 -0.345 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.646 -0.875 0.173 1.00 0.00 N ATOM 0 H HIS A 70 -3.953 0.702 -3.531 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.375 -2.248 -3.408 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.881 -0.633 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.830 -2.326 -3.703 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.050 1.095 -2.305 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.112 -2.740 -0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.184 1.190 0.242 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.491 -0.487 -6.081 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.326 -0.574 -7.557 1.00 0.00 C ATOM 1055 C ASP A 71 -1.884 -0.941 -7.920 1.00 0.00 C ATOM 1056 O ASP A 71 -0.952 -0.234 -7.595 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.677 0.825 -8.054 1.00 0.00 C ATOM 1058 CG ASP A 71 -5.128 1.137 -7.686 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.460 1.017 -6.519 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.883 1.486 -8.579 1.00 0.00 O ATOM 0 H ASP A 71 -3.419 0.452 -5.690 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.954 -1.344 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.009 1.561 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.542 0.885 -9.134 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.697 -2.046 -8.593 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.316 -2.463 -8.978 1.00 0.00 C ATOM 1067 C LYS A 72 0.112 -1.759 -10.268 1.00 0.00 C ATOM 1068 O LYS A 72 1.212 -1.253 -10.374 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.402 -3.977 -9.188 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.298 -4.281 -10.391 1.00 0.00 C ATOM 1071 CD LYS A 72 -1.657 -5.768 -10.398 1.00 0.00 C ATOM 1072 CE LYS A 72 -0.391 -6.601 -10.189 1.00 0.00 C ATOM 1073 NZ LYS A 72 -0.879 -7.987 -9.941 1.00 0.00 N ATOM 0 H LYS A 72 -2.440 -2.677 -8.893 1.00 0.00 H new ATOM 0 HA LYS A 72 0.421 -2.201 -8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.594 -4.388 -9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.802 -4.456 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.204 -3.678 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.786 -4.015 -11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.380 -5.982 -9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.128 -6.035 -11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.257 -6.561 -11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.191 -6.230 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.330 -8.415 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.884 -7.959 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.764 -8.555 -10.804 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.750 -1.715 -11.244 1.00 0.00 N ATOM 1088 CA GLY A 73 -0.393 -1.033 -12.521 1.00 0.00 C ATOM 1089 C GLY A 73 -0.292 0.470 -12.267 1.00 0.00 C ATOM 1090 O GLY A 73 -1.019 1.260 -12.837 1.00 0.00 O ATOM 0 H GLY A 73 -1.685 -2.121 -11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.554 -1.416 -12.901 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.147 -1.237 -13.281 1.00 0.00 H new ATOM 1094 N THR A 74 0.593 0.867 -11.396 1.00 0.00 N ATOM 1095 CA THR A 74 0.734 2.316 -11.078 1.00 0.00 C ATOM 1096 C THR A 74 2.075 2.860 -11.576 1.00 0.00 C ATOM 1097 O THR A 74 2.994 2.116 -11.860 1.00 0.00 O ATOM 1098 CB THR A 74 0.681 2.372 -9.551 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.478 1.322 -9.018 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.762 2.207 -9.078 1.00 0.00 C ATOM 0 H THR A 74 1.227 0.249 -10.889 1.00 0.00 H new ATOM 0 HA THR A 74 -0.040 2.917 -11.555 1.00 0.00 H new ATOM 0 HB THR A 74 1.062 3.334 -9.209 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.360 1.673 -8.773 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.795 2.248 -7.989 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.374 3.010 -9.490 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.148 1.246 -9.417 1.00 0.00 H new ATOM 1108 N LYS A 75 2.194 4.158 -11.669 1.00 0.00 N ATOM 1109 CA LYS A 75 3.474 4.769 -12.130 1.00 0.00 C ATOM 1110 C LYS A 75 4.658 3.997 -11.543 1.00 0.00 C ATOM 1111 O LYS A 75 5.613 3.688 -12.227 1.00 0.00 O ATOM 1112 CB LYS A 75 3.443 6.192 -11.566 1.00 0.00 C ATOM 1113 CG LYS A 75 4.492 7.052 -12.268 1.00 0.00 C ATOM 1114 CD LYS A 75 4.399 6.855 -13.783 1.00 0.00 C ATOM 1115 CE LYS A 75 5.288 7.884 -14.481 1.00 0.00 C ATOM 1116 NZ LYS A 75 4.342 8.881 -15.058 1.00 0.00 N ATOM 0 H LYS A 75 1.455 4.824 -11.444 1.00 0.00 H new ATOM 0 HA LYS A 75 3.581 4.753 -13.215 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.453 6.626 -11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.635 6.172 -10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.339 8.102 -12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.489 6.783 -11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.712 5.846 -14.050 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.366 6.966 -14.113 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.976 8.353 -13.778 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.895 7.419 -15.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.878 9.621 -15.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.704 8.407 -15.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.783 9.312 -14.294 1.00 0.00 H new ATOM 1130 N PHE A 76 4.596 3.689 -10.279 1.00 0.00 N ATOM 1131 CA PHE A 76 5.713 2.938 -9.632 1.00 0.00 C ATOM 1132 C PHE A 76 5.182 1.693 -8.934 1.00 0.00 C ATOM 1133 O PHE A 76 3.997 1.430 -8.940 1.00 0.00 O ATOM 1134 CB PHE A 76 6.282 3.902 -8.601 1.00 0.00 C ATOM 1135 CG PHE A 76 6.684 5.174 -9.294 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.861 5.226 -10.050 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.864 6.302 -9.194 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.214 6.409 -10.706 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.219 7.483 -9.846 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.392 7.537 -10.601 1.00 0.00 C ATOM 0 H PHE A 76 3.819 3.924 -9.662 1.00 0.00 H new ATOM 0 HA PHE A 76 6.458 2.609 -10.356 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.540 4.111 -7.830 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.143 3.456 -8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.495 4.355 -10.126 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.955 6.259 -8.612 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.120 6.452 -11.293 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.587 8.355 -9.767 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.666 8.452 -11.106 1.00 0.00 H new ATOM 1150 N LYS A 77 6.040 0.929 -8.311 1.00 0.00 N ATOM 1151 CA LYS A 77 5.535 -0.271 -7.607 1.00 0.00 C ATOM 1152 C LYS A 77 4.795 0.172 -6.352 1.00 0.00 C ATOM 1153 O LYS A 77 5.357 0.735 -5.434 1.00 0.00 O ATOM 1154 CB LYS A 77 6.750 -1.119 -7.263 1.00 0.00 C ATOM 1155 CG LYS A 77 7.719 -0.329 -6.387 1.00 0.00 C ATOM 1156 CD LYS A 77 9.036 -1.099 -6.280 1.00 0.00 C ATOM 1157 CE LYS A 77 9.555 -1.422 -7.684 1.00 0.00 C ATOM 1158 NZ LYS A 77 9.048 -2.793 -7.978 1.00 0.00 N ATOM 0 H LYS A 77 7.047 1.084 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 77 4.841 -0.849 -8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.435 -2.024 -6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.252 -1.435 -8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.894 0.658 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.291 -0.176 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.772 -0.507 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.887 -2.019 -5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.190 -0.701 -8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.644 -1.388 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.843 -3.464 -7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.362 -3.073 -7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.586 -2.800 -8.909 1.00 0.00 H new ATOM 1172 N SER A 78 3.525 -0.060 -6.340 1.00 0.00 N ATOM 1173 CA SER A 78 2.676 0.357 -5.188 1.00 0.00 C ATOM 1174 C SER A 78 2.805 -0.624 -4.020 1.00 0.00 C ATOM 1175 O SER A 78 3.480 -1.631 -4.109 1.00 0.00 O ATOM 1176 CB SER A 78 1.253 0.330 -5.741 1.00 0.00 C ATOM 1177 OG SER A 78 1.167 -0.656 -6.763 1.00 0.00 O ATOM 0 H SER A 78 3.021 -0.530 -7.092 1.00 0.00 H new ATOM 0 HA SER A 78 2.966 1.334 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.544 0.107 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.986 1.309 -6.140 1.00 0.00 H new ATOM 0 HG SER A 78 0.418 -0.445 -7.359 1.00 0.00 H new ATOM 1183 N CYS A 79 2.151 -0.334 -2.927 1.00 0.00 N ATOM 1184 CA CYS A 79 2.217 -1.243 -1.750 1.00 0.00 C ATOM 1185 C CYS A 79 1.712 -2.629 -2.149 1.00 0.00 C ATOM 1186 O CYS A 79 2.462 -3.582 -2.217 1.00 0.00 O ATOM 1187 CB CYS A 79 1.295 -0.604 -0.712 1.00 0.00 C ATOM 1188 SG CYS A 79 1.815 1.107 -0.413 1.00 0.00 S ATOM 0 H CYS A 79 1.573 0.496 -2.800 1.00 0.00 H new ATOM 0 HA CYS A 79 3.229 -1.369 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.264 -0.626 -1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.327 -1.173 0.217 1.00 0.00 H new ATOM 0 HG CYS A 79 0.994 1.670 0.423 1.00 0.00 H new ATOM 1193 N VAL A 80 0.446 -2.740 -2.437 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.108 -4.059 -2.859 1.00 0.00 C ATOM 1195 C VAL A 80 0.492 -4.447 -4.213 1.00 0.00 C ATOM 1196 O VAL A 80 0.603 -5.610 -4.547 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.617 -3.836 -2.979 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.243 -4.981 -3.777 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.244 -3.787 -1.577 1.00 0.00 C ATOM 0 H VAL A 80 -0.229 -1.977 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 80 0.122 -4.861 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.802 -2.892 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.318 -4.821 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.802 -5.014 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.056 -5.925 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.319 -3.628 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.057 -4.729 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.801 -2.969 -1.009 1.00 0.00 H new ATOM 1209 N GLY A 81 0.891 -3.473 -4.990 1.00 0.00 N ATOM 1210 CA GLY A 81 1.497 -3.772 -6.318 1.00 0.00 C ATOM 1211 C GLY A 81 2.886 -4.373 -6.106 1.00 0.00 C ATOM 1212 O GLY A 81 3.264 -5.334 -6.747 1.00 0.00 O ATOM 0 H GLY A 81 0.822 -2.482 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.866 -4.467 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.567 -2.862 -6.913 1.00 0.00 H new ATOM 1216 N CYS A 82 3.643 -3.827 -5.192 1.00 0.00 N ATOM 1217 CA CYS A 82 4.998 -4.382 -4.919 1.00 0.00 C ATOM 1218 C CYS A 82 4.847 -5.611 -4.032 1.00 0.00 C ATOM 1219 O CYS A 82 5.712 -6.460 -3.959 1.00 0.00 O ATOM 1220 CB CYS A 82 5.748 -3.278 -4.171 1.00 0.00 C ATOM 1221 SG CYS A 82 7.533 -3.547 -4.325 1.00 0.00 S ATOM 0 H CYS A 82 3.381 -3.021 -4.624 1.00 0.00 H new ATOM 0 HA CYS A 82 5.527 -4.675 -5.825 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.480 -2.303 -4.577 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.459 -3.276 -3.120 1.00 0.00 H new ATOM 0 HG CYS A 82 8.170 -2.608 -3.691 1.00 0.00 H new ATOM 1226 N HIS A 83 3.737 -5.699 -3.358 1.00 0.00 N ATOM 1227 CA HIS A 83 3.485 -6.857 -2.467 1.00 0.00 C ATOM 1228 C HIS A 83 3.101 -8.083 -3.302 1.00 0.00 C ATOM 1229 O HIS A 83 3.764 -9.101 -3.259 1.00 0.00 O ATOM 1230 CB HIS A 83 2.338 -6.388 -1.571 1.00 0.00 C ATOM 1231 CG HIS A 83 2.914 -5.688 -0.375 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.236 -5.591 0.829 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.113 -5.047 -0.182 1.00 0.00 C ATOM 1234 CE1 HIS A 83 3.024 -4.919 1.686 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.179 -4.565 1.119 1.00 0.00 N ATOM 0 H HIS A 83 2.986 -5.009 -3.388 1.00 0.00 H new ATOM 0 HA HIS A 83 4.354 -7.158 -1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.680 -5.716 -2.121 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.733 -7.238 -1.256 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.307 -5.962 1.029 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.886 -4.935 -0.928 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.755 -4.693 2.707 1.00 0.00 H new ATOM 1243 N LEU A 84 2.056 -7.993 -4.081 1.00 0.00 N ATOM 1244 CA LEU A 84 1.664 -9.147 -4.928 1.00 0.00 C ATOM 1245 C LEU A 84 2.874 -9.625 -5.734 1.00 0.00 C ATOM 1246 O LEU A 84 2.982 -10.782 -6.090 1.00 0.00 O ATOM 1247 CB LEU A 84 0.588 -8.583 -5.850 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.642 -9.482 -5.799 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.873 -8.688 -6.235 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.443 -10.675 -6.737 1.00 0.00 C ATOM 0 H LEU A 84 1.460 -7.169 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 84 1.306 -10.002 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.325 -7.570 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.964 -8.520 -6.871 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.786 -9.843 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.752 -9.331 -6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.015 -7.840 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.730 -8.326 -7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.323 -11.318 -6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.298 -10.316 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.434 -11.242 -6.424 1.00 0.00 H new ATOM 1262 N GLU A 85 3.790 -8.738 -6.017 1.00 0.00 N ATOM 1263 CA GLU A 85 5.001 -9.132 -6.791 1.00 0.00 C ATOM 1264 C GLU A 85 6.092 -9.622 -5.835 1.00 0.00 C ATOM 1265 O GLU A 85 6.652 -10.686 -6.009 1.00 0.00 O ATOM 1266 CB GLU A 85 5.447 -7.858 -7.508 1.00 0.00 C ATOM 1267 CG GLU A 85 4.485 -7.553 -8.658 1.00 0.00 C ATOM 1268 CD GLU A 85 5.068 -6.441 -9.530 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.246 -6.156 -9.386 1.00 0.00 O ATOM 1270 OE2 GLU A 85 4.328 -5.891 -10.329 1.00 0.00 O ATOM 0 H GLU A 85 3.751 -7.756 -5.745 1.00 0.00 H new ATOM 0 HA GLU A 85 4.801 -9.942 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.469 -7.023 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.460 -7.980 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.320 -8.450 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.515 -7.250 -8.264 1.00 0.00 H new ATOM 1277 N THR A 86 6.394 -8.855 -4.821 1.00 0.00 N ATOM 1278 CA THR A 86 7.444 -9.283 -3.852 1.00 0.00 C ATOM 1279 C THR A 86 7.074 -10.644 -3.258 1.00 0.00 C ATOM 1280 O THR A 86 7.903 -11.338 -2.703 1.00 0.00 O ATOM 1281 CB THR A 86 7.454 -8.199 -2.767 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.262 -7.113 -3.198 1.00 0.00 O ATOM 1283 CG2 THR A 86 8.021 -8.772 -1.466 1.00 0.00 C ATOM 0 H THR A 86 5.960 -7.953 -4.623 1.00 0.00 H new ATOM 0 HA THR A 86 8.424 -9.392 -4.317 1.00 0.00 H new ATOM 0 HB THR A 86 6.435 -7.853 -2.591 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.703 -6.451 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.026 -7.998 -0.699 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.402 -9.606 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.040 -9.121 -1.636 1.00 0.00 H new ATOM 1291 N ALA A 87 5.833 -11.031 -3.374 1.00 0.00 N ATOM 1292 CA ALA A 87 5.406 -12.347 -2.821 1.00 0.00 C ATOM 1293 C ALA A 87 5.590 -13.443 -3.872 1.00 0.00 C ATOM 1294 O ALA A 87 5.926 -14.568 -3.560 1.00 0.00 O ATOM 1295 CB ALA A 87 3.925 -12.172 -2.478 1.00 0.00 C ATOM 0 H ALA A 87 5.096 -10.492 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 87 5.992 -12.641 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.535 -13.102 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.813 -11.373 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.370 -11.917 -3.381 1.00 0.00 H new ATOM 1340 N ALA A 92 1.938 -17.532 1.106 1.00 0.00 N ATOM 1341 CA ALA A 92 2.187 -16.957 2.457 1.00 0.00 C ATOM 1342 C ALA A 92 2.581 -15.495 2.295 1.00 0.00 C ATOM 1343 O ALA A 92 2.166 -14.634 3.045 1.00 0.00 O ATOM 1344 CB ALA A 92 3.342 -17.773 3.036 1.00 0.00 C ATOM 0 HA ALA A 92 1.315 -16.998 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.583 -17.406 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.052 -18.822 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.216 -17.674 2.392 1.00 0.00 H new ATOM 1350 N LYS A 93 3.368 -15.214 1.300 1.00 0.00 N ATOM 1351 CA LYS A 93 3.787 -13.815 1.046 1.00 0.00 C ATOM 1352 C LYS A 93 2.630 -13.054 0.399 1.00 0.00 C ATOM 1353 O LYS A 93 2.534 -11.846 0.497 1.00 0.00 O ATOM 1354 CB LYS A 93 4.958 -13.941 0.080 1.00 0.00 C ATOM 1355 CG LYS A 93 6.268 -13.919 0.865 1.00 0.00 C ATOM 1356 CD LYS A 93 7.448 -13.965 -0.107 1.00 0.00 C ATOM 1357 CE LYS A 93 8.306 -12.710 0.070 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.606 -13.205 0.602 1.00 0.00 N ATOM 0 H LYS A 93 3.742 -15.901 0.646 1.00 0.00 H new ATOM 0 HA LYS A 93 4.064 -13.275 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.877 -14.868 -0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.939 -13.123 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.322 -13.018 1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.311 -14.770 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.048 -14.857 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.085 -14.028 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.440 -12.187 -0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.839 -12.007 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.249 -12.401 0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.448 -13.693 1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.030 -13.867 -0.079 1.00 0.00 H new ATOM 1372 N LYS A 94 1.744 -13.756 -0.250 1.00 0.00 N ATOM 1373 CA LYS A 94 0.585 -13.074 -0.892 1.00 0.00 C ATOM 1374 C LYS A 94 -0.449 -12.713 0.176 1.00 0.00 C ATOM 1375 O LYS A 94 -1.224 -11.791 0.020 1.00 0.00 O ATOM 1376 CB LYS A 94 0.013 -14.093 -1.879 1.00 0.00 C ATOM 1377 CG LYS A 94 0.292 -13.628 -3.310 1.00 0.00 C ATOM 1378 CD LYS A 94 -0.899 -13.981 -4.204 1.00 0.00 C ATOM 1379 CE LYS A 94 -0.392 -14.430 -5.576 1.00 0.00 C ATOM 1380 NZ LYS A 94 -1.569 -14.308 -6.480 1.00 0.00 N ATOM 0 H LYS A 94 1.771 -14.769 -0.364 1.00 0.00 H new ATOM 0 HA LYS A 94 0.868 -12.150 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.462 -15.072 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.060 -14.203 -1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.466 -12.552 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.197 -14.103 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.489 -14.774 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.555 -13.117 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.433 -13.804 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.023 -15.455 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.610 -15.135 -7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.439 -14.261 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.481 -13.443 -7.050 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.452 -13.430 1.265 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.420 -13.129 2.356 1.00 0.00 C ATOM 1396 C LYS A 95 -0.821 -12.086 3.301 1.00 0.00 C ATOM 1397 O LYS A 95 -1.518 -11.423 4.039 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.622 -14.460 3.081 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.366 -14.809 3.882 1.00 0.00 C ATOM 1400 CD LYS A 95 -0.735 -15.008 5.353 1.00 0.00 C ATOM 1401 CE LYS A 95 0.540 -15.075 6.196 1.00 0.00 C ATOM 1402 NZ LYS A 95 0.364 -16.273 7.064 1.00 0.00 N ATOM 0 H LYS A 95 0.176 -14.213 1.447 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.361 -12.725 1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.483 -14.395 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.836 -15.249 2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.090 -15.716 3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.372 -14.012 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.366 -14.188 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.311 -15.925 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.425 -15.170 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.668 -14.171 6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.199 -16.386 7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.482 -16.151 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.252 -17.119 6.470 1.00 0.00 H new ATOM 1416 N GLU A 96 0.474 -11.942 3.274 1.00 0.00 N ATOM 1417 CA GLU A 96 1.144 -10.947 4.157 1.00 0.00 C ATOM 1418 C GLU A 96 1.337 -9.637 3.400 1.00 0.00 C ATOM 1419 O GLU A 96 1.105 -8.560 3.914 1.00 0.00 O ATOM 1420 CB GLU A 96 2.493 -11.581 4.489 1.00 0.00 C ATOM 1421 CG GLU A 96 3.368 -11.627 3.247 1.00 0.00 C ATOM 1422 CD GLU A 96 4.753 -12.153 3.627 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.816 -13.115 4.375 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.730 -11.586 3.163 1.00 0.00 O ATOM 0 H GLU A 96 1.102 -12.475 2.673 1.00 0.00 H new ATOM 0 HA GLU A 96 0.568 -10.716 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.990 -11.009 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.344 -12.589 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.916 -12.271 2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.451 -10.632 2.809 1.00 0.00 H new ATOM 1431 N LEU A 97 1.764 -9.735 2.181 1.00 0.00 N ATOM 1432 CA LEU A 97 1.988 -8.516 1.354 1.00 0.00 C ATOM 1433 C LEU A 97 0.666 -7.981 0.806 1.00 0.00 C ATOM 1434 O LEU A 97 0.246 -6.891 1.134 1.00 0.00 O ATOM 1435 CB LEU A 97 2.891 -8.990 0.222 1.00 0.00 C ATOM 1436 CG LEU A 97 4.175 -9.570 0.814 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.229 -9.668 -0.280 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.685 -8.654 1.932 1.00 0.00 C ATOM 0 H LEU A 97 1.972 -10.616 1.711 1.00 0.00 H new ATOM 0 HA LEU A 97 2.431 -7.701 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.379 -9.744 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.126 -8.160 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 97 3.974 -10.560 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.148 -10.081 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.867 -10.318 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.428 -8.675 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.601 -9.069 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.889 -7.663 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.929 -8.577 2.713 1.00 0.00 H new ATOM 1450 N THR A 98 0.008 -8.728 -0.030 1.00 0.00 N ATOM 1451 CA THR A 98 -1.282 -8.241 -0.600 1.00 0.00 C ATOM 1452 C THR A 98 -2.456 -8.625 0.297 1.00 0.00 C ATOM 1453 O THR A 98 -3.574 -8.197 0.087 1.00 0.00 O ATOM 1454 CB THR A 98 -1.401 -8.928 -1.954 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.284 -10.334 -1.783 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.287 -8.428 -2.874 1.00 0.00 C ATOM 0 H THR A 98 0.303 -9.652 -0.345 1.00 0.00 H new ATOM 0 HA THR A 98 -1.300 -7.154 -0.685 1.00 0.00 H new ATOM 0 HB THR A 98 -2.370 -8.698 -2.398 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.284 -10.548 -0.827 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.369 -8.918 -3.844 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.378 -7.350 -3.003 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.682 -8.660 -2.431 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.221 -9.427 1.295 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.336 -9.828 2.192 1.00 0.00 C ATOM 1466 C GLY A 99 -4.031 -8.577 2.730 1.00 0.00 C ATOM 1467 O GLY A 99 -3.417 -7.721 3.336 1.00 0.00 O ATOM 0 H GLY A 99 -1.309 -9.821 1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.049 -10.448 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.955 -10.429 3.018 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.305 -8.457 2.511 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.028 -7.257 3.017 1.00 0.00 C ATOM 1473 C CYS A 100 -6.406 -7.433 4.482 1.00 0.00 C ATOM 1474 O CYS A 100 -6.007 -6.674 5.329 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.307 -7.128 2.196 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.165 -8.012 0.615 1.00 0.00 S ATOM 0 H CYS A 100 -5.878 -9.133 2.006 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.394 -6.375 2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.148 -7.526 2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.518 -6.075 2.009 1.00 0.00 H new ATOM 0 HG CYS A 100 -8.271 -7.882 -0.056 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.204 -8.410 4.781 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.630 -8.600 6.196 1.00 0.00 C ATOM 1483 C LYS A 101 -6.830 -9.714 6.879 1.00 0.00 C ATOM 1484 O LYS A 101 -7.233 -10.236 7.900 1.00 0.00 O ATOM 1485 CB LYS A 101 -9.105 -8.983 6.112 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.772 -8.748 7.469 1.00 0.00 C ATOM 1487 CD LYS A 101 -11.150 -9.415 7.484 1.00 0.00 C ATOM 1488 CE LYS A 101 -12.040 -8.729 8.523 1.00 0.00 C ATOM 1489 NZ LYS A 101 -13.419 -9.203 8.220 1.00 0.00 N ATOM 0 H LYS A 101 -7.581 -9.084 4.115 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.462 -7.700 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.602 -8.391 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.204 -10.029 5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.151 -9.155 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.872 -7.679 7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.608 -9.349 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.050 -10.475 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.744 -8.999 9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.970 -7.644 8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.088 -8.775 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.676 -8.926 7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.457 -10.239 8.306 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.706 -10.086 6.335 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.903 -11.168 6.975 1.00 0.00 C ATOM 1505 C GLY A 102 -3.438 -11.049 6.554 1.00 0.00 C ATOM 1506 O GLY A 102 -2.767 -12.037 6.332 1.00 0.00 O ATOM 0 H GLY A 102 -5.309 -9.692 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.985 -11.100 8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.295 -12.143 6.686 1.00 0.00 H new ATOM 1510 N SER A 103 -2.934 -9.851 6.430 1.00 0.00 N ATOM 1511 CA SER A 103 -1.521 -9.683 6.012 1.00 0.00 C ATOM 1512 C SER A 103 -0.725 -8.892 7.051 1.00 0.00 C ATOM 1513 O SER A 103 -0.994 -8.940 8.234 1.00 0.00 O ATOM 1514 CB SER A 103 -1.613 -8.906 4.712 1.00 0.00 C ATOM 1515 OG SER A 103 -1.439 -7.520 4.973 1.00 0.00 O ATOM 0 H SER A 103 -3.443 -8.984 6.601 1.00 0.00 H new ATOM 0 HA SER A 103 -1.007 -10.638 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.851 -9.254 4.014 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.580 -9.079 4.241 1.00 0.00 H new ATOM 0 HG SER A 103 -2.115 -7.007 4.483 1.00 0.00 H new ATOM 1521 N LYS A 104 0.255 -8.162 6.600 1.00 0.00 N ATOM 1522 CA LYS A 104 1.089 -7.351 7.524 1.00 0.00 C ATOM 1523 C LYS A 104 0.645 -5.904 7.442 1.00 0.00 C ATOM 1524 O LYS A 104 0.818 -5.117 8.351 1.00 0.00 O ATOM 1525 CB LYS A 104 2.496 -7.479 6.960 1.00 0.00 C ATOM 1526 CG LYS A 104 2.951 -8.939 7.030 1.00 0.00 C ATOM 1527 CD LYS A 104 3.823 -9.147 8.270 1.00 0.00 C ATOM 1528 CE LYS A 104 4.261 -10.611 8.347 1.00 0.00 C ATOM 1529 NZ LYS A 104 4.659 -10.819 9.767 1.00 0.00 N ATOM 0 H LYS A 104 0.516 -8.093 5.616 1.00 0.00 H new ATOM 0 HA LYS A 104 1.019 -7.673 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.517 -7.131 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.183 -6.847 7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.084 -9.599 7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.511 -9.199 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.697 -8.497 8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.268 -8.875 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.450 -11.281 8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.092 -10.811 7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.972 -11.802 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.437 -10.172 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.846 -10.628 10.387 1.00 0.00 H new ATOM 1543 N CYS A 105 0.093 -5.561 6.324 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.363 -4.174 6.093 1.00 0.00 C ATOM 1545 C CYS A 105 -1.711 -3.928 6.778 1.00 0.00 C ATOM 1546 O CYS A 105 -2.057 -2.810 7.105 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.500 -4.105 4.577 1.00 0.00 C ATOM 1548 SG CYS A 105 0.287 -2.596 3.957 1.00 0.00 S ATOM 0 H CYS A 105 -0.065 -6.197 5.543 1.00 0.00 H new ATOM 0 HA CYS A 105 0.316 -3.422 6.495 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.038 -4.981 4.121 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.553 -4.118 4.297 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.626 -1.774 3.531 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.475 -4.964 6.999 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.799 -4.786 7.666 1.00 0.00 C ATOM 1555 C HIS A 106 -3.882 -5.662 8.920 1.00 0.00 C ATOM 1556 O HIS A 106 -4.732 -6.523 9.030 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.825 -5.241 6.628 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.226 -4.076 5.764 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.262 -2.781 6.258 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.561 -3.981 4.428 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.592 -1.966 5.242 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.778 -2.638 4.103 1.00 0.00 N ATOM 0 H HIS A 106 -2.241 -5.924 6.747 1.00 0.00 H new ATOM 0 HA HIS A 106 -3.967 -3.757 7.985 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.404 -6.035 6.011 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.702 -5.655 7.127 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.643 -4.812 3.743 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.695 -0.895 5.335 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -6.025 -2.254 3.191 1.00 0.00 H new ATOM 1570 N SER A 107 -3.007 -5.451 9.863 1.00 0.00 N ATOM 1571 CA SER A 107 -3.038 -6.276 11.106 1.00 0.00 C ATOM 1572 C SER A 107 -4.407 -6.162 11.782 1.00 0.00 C ATOM 1573 O SER A 107 -5.127 -5.229 11.463 1.00 0.00 O ATOM 1574 CB SER A 107 -1.948 -5.688 12.001 1.00 0.00 C ATOM 1575 OG SER A 107 -0.920 -5.139 11.190 1.00 0.00 O ATOM 1576 OXT SER A 107 -4.711 -7.007 12.607 1.00 0.00 O ATOM 0 H SER A 107 -2.272 -4.744 9.828 1.00 0.00 H new ATOM 0 HA SER A 107 -2.871 -7.334 10.903 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.368 -4.917 12.647 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.540 -6.461 12.652 1.00 0.00 H new ATOM 0 HG SER A 107 -0.220 -4.760 11.761 1.00 0.00 H new