USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 752 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 9 MET CE :methyl 160:sc= -0.3 (180deg=-1.32) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0.118 USER MOD Set 2.1: A 6 HIS : no HD1:sc= 0.863 K(o=-1.2,f=-9.4!) USER MOD Set 2.2: A 8 HIS : no HD1:sc= -2.1! C(o=-1.2!,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 0.552! (180deg=0.547!) USER MOD Single : A 3 HIS : no HD1:sc= -2.83! C(o=-2.8!,f=-6!) USER MOD Single : A 4 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0536 K(o=-0.054,f=-1.2) USER MOD Single : A 7 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.52) USER MOD Single : A 11 THR OG1 : rot 16:sc=-0.00429 USER MOD Single : A 16 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.8!) USER MOD Single : A 20 HIS : no HD1:sc= -0.676 X(o=-0.68,f=-0.9) USER MOD Single : A 21 THR OG1 : rot 77:sc= -0.637 USER MOD Single : A 25 SER OG : rot 180:sc= -0.439 USER MOD Single : A 27 MET CE :methyl -166:sc= 0 (180deg=-0.41) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 31 SER OG : rot 180:sc= -0.398 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 46:sc= 0.0138 USER MOD Single : A 39 ASN : amide:sc= -0.496! C(o=-0.5!,f=-0.8!) USER MOD Single : A 40 ASN : amide:sc= -0.827 K(o=-0.83,f=-3.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -5.02! C(o=-5!,f=-6.7!) USER MOD Single : A 51 GLN : amide:sc= -4.12! C(o=-4.1!,f=-8.7!) USER MOD Single : A 52 ASN : amide:sc= -3.69! C(o=-3.7!,f=-16!) USER MOD Single : A 59 GLN : amide:sc= -5.09! C(o=-5.1!,f=-13!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.554 K(o=-0.55,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.22) USER MOD Single : A 74 GLN : amide:sc= -2.34 K(o=-2.3,f=-6.5!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= -1.61 (180deg=-2.43) USER MOD Single : A 85 LYS NZ :NH3+ -148:sc= -0.134 (180deg=-0.77) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -152:sc= -0.0221 (180deg=-0.576) USER MOD Single : A 94 SER OG : rot 61:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.576 16.670 -7.674 1.00 1.00 N ATOM 2 CA MET A 1 8.872 17.196 -7.160 1.00 1.00 C ATOM 3 C MET A 1 8.629 18.499 -6.406 1.00 1.00 C ATOM 4 O MET A 1 8.473 18.502 -5.185 1.00 1.00 O ATOM 5 CB MET A 1 9.821 17.442 -8.335 1.00 1.00 C ATOM 6 CG MET A 1 10.567 16.148 -8.669 1.00 1.00 C ATOM 7 SD MET A 1 9.415 14.754 -8.606 1.00 1.00 S ATOM 8 CE MET A 1 10.568 13.537 -7.929 1.00 1.00 C ATOM 0 H1 MET A 1 7.744 15.790 -8.203 1.00 1.00 H new ATOM 0 H2 MET A 1 6.938 16.478 -6.875 1.00 1.00 H new ATOM 0 H3 MET A 1 7.140 17.374 -8.303 1.00 1.00 H new ATOM 0 HA MET A 1 9.320 16.470 -6.482 1.00 1.00 H new ATOM 0 HB2 MET A 1 9.259 17.785 -9.204 1.00 1.00 H new ATOM 0 HB3 MET A 1 10.532 18.229 -8.084 1.00 1.00 H new ATOM 0 HG2 MET A 1 11.015 16.219 -9.660 1.00 1.00 H new ATOM 0 HG3 MET A 1 11.382 15.992 -7.962 1.00 1.00 H new ATOM 0 HE1 MET A 1 10.058 12.582 -7.805 1.00 1.00 H new ATOM 0 HE2 MET A 1 11.409 13.414 -8.611 1.00 1.00 H new ATOM 0 HE3 MET A 1 10.933 13.881 -6.961 1.00 1.00 H new ATOM 20 N GLY A 2 8.594 19.605 -7.142 1.00 1.00 N ATOM 21 CA GLY A 2 8.367 20.911 -6.532 1.00 1.00 C ATOM 22 C GLY A 2 9.605 21.381 -5.778 1.00 1.00 C ATOM 23 O GLY A 2 10.583 21.820 -6.383 1.00 1.00 O ATOM 0 H GLY A 2 8.719 19.624 -8.154 1.00 1.00 H new ATOM 0 HA2 GLY A 2 8.108 21.637 -7.303 1.00 1.00 H new ATOM 0 HA3 GLY A 2 7.519 20.856 -5.849 1.00 1.00 H new ATOM 27 N HIS A 3 9.556 21.287 -4.453 1.00 1.00 N ATOM 28 CA HIS A 3 10.681 21.706 -3.625 1.00 1.00 C ATOM 29 C HIS A 3 10.713 20.912 -2.323 1.00 1.00 C ATOM 30 O HIS A 3 9.741 20.901 -1.568 1.00 1.00 O ATOM 31 CB HIS A 3 10.570 23.199 -3.311 1.00 1.00 C ATOM 32 CG HIS A 3 9.128 23.556 -3.075 1.00 1.00 C ATOM 33 ND1 HIS A 3 8.142 23.312 -4.018 1.00 1.00 N ATOM 34 CD2 HIS A 3 8.490 24.140 -2.009 1.00 1.00 C ATOM 35 CE1 HIS A 3 6.975 23.744 -3.508 1.00 1.00 C ATOM 36 NE2 HIS A 3 7.130 24.258 -2.284 1.00 1.00 N ATOM 0 H HIS A 3 8.756 20.927 -3.933 1.00 1.00 H new ATOM 0 HA HIS A 3 11.603 21.518 -4.175 1.00 1.00 H new ATOM 0 HB2 HIS A 3 11.165 23.441 -2.430 1.00 1.00 H new ATOM 0 HB3 HIS A 3 10.971 23.786 -4.137 1.00 1.00 H new ATOM 0 HD2 HIS A 3 8.970 24.459 -1.096 1.00 1.00 H new ATOM 0 HE1 HIS A 3 6.028 23.683 -4.024 1.00 1.00 H new ATOM 0 HE2 HIS A 3 6.408 24.652 -1.681 1.00 1.00 H new ATOM 44 N HIS A 4 11.838 20.250 -2.069 1.00 1.00 N ATOM 45 CA HIS A 4 11.990 19.454 -0.855 1.00 1.00 C ATOM 46 C HIS A 4 10.922 18.368 -0.788 1.00 1.00 C ATOM 47 O HIS A 4 9.801 18.554 -1.263 1.00 1.00 O ATOM 48 CB HIS A 4 11.886 20.355 0.378 1.00 1.00 C ATOM 49 CG HIS A 4 12.801 21.537 0.213 1.00 1.00 C ATOM 50 ND1 HIS A 4 12.431 22.816 0.595 1.00 1.00 N ATOM 51 CD2 HIS A 4 14.072 21.649 -0.292 1.00 1.00 C ATOM 52 CE1 HIS A 4 13.460 23.637 0.316 1.00 1.00 C ATOM 53 NE2 HIS A 4 14.487 22.976 -0.225 1.00 1.00 N ATOM 0 H HIS A 4 12.653 20.248 -2.683 1.00 1.00 H new ATOM 0 HA HIS A 4 12.971 18.980 -0.875 1.00 1.00 H new ATOM 0 HB2 HIS A 4 10.858 20.693 0.509 1.00 1.00 H new ATOM 0 HB3 HIS A 4 12.155 19.796 1.274 1.00 1.00 H new ATOM 0 HD2 HIS A 4 14.661 20.832 -0.682 1.00 1.00 H new ATOM 0 HE1 HIS A 4 13.456 24.700 0.506 1.00 1.00 H new ATOM 0 HE2 HIS A 4 15.383 23.361 -0.525 1.00 1.00 H new ATOM 61 N HIS A 5 11.275 17.233 -0.196 1.00 1.00 N ATOM 62 CA HIS A 5 10.339 16.122 -0.073 1.00 1.00 C ATOM 63 C HIS A 5 9.680 16.123 1.302 1.00 1.00 C ATOM 64 O HIS A 5 10.265 16.588 2.281 1.00 1.00 O ATOM 65 CB HIS A 5 11.069 14.795 -0.290 1.00 1.00 C ATOM 66 CG HIS A 5 10.376 14.012 -1.370 1.00 1.00 C ATOM 67 ND1 HIS A 5 9.002 13.824 -1.380 1.00 1.00 N ATOM 68 CD2 HIS A 5 10.851 13.365 -2.484 1.00 1.00 C ATOM 69 CE1 HIS A 5 8.700 13.091 -2.467 1.00 1.00 C ATOM 70 NE2 HIS A 5 9.790 12.784 -3.175 1.00 1.00 N ATOM 0 H HIS A 5 12.197 17.058 0.204 1.00 1.00 H new ATOM 0 HA HIS A 5 9.566 16.240 -0.833 1.00 1.00 H new ATOM 0 HB2 HIS A 5 12.106 14.980 -0.569 1.00 1.00 H new ATOM 0 HB3 HIS A 5 11.085 14.221 0.636 1.00 1.00 H new ATOM 0 HD2 HIS A 5 11.889 13.314 -2.779 1.00 1.00 H new ATOM 0 HE1 HIS A 5 7.698 12.788 -2.734 1.00 1.00 H new ATOM 0 HE2 HIS A 5 9.836 12.241 -4.037 1.00 1.00 H new ATOM 78 N HIS A 6 8.459 15.602 1.369 1.00 1.00 N ATOM 79 CA HIS A 6 7.729 15.549 2.628 1.00 1.00 C ATOM 80 C HIS A 6 8.337 14.502 3.557 1.00 1.00 C ATOM 81 O HIS A 6 9.397 13.945 3.271 1.00 1.00 O ATOM 82 CB HIS A 6 6.260 15.209 2.367 1.00 1.00 C ATOM 83 CG HIS A 6 5.380 16.134 3.162 1.00 1.00 C ATOM 84 ND1 HIS A 6 5.215 16.001 4.531 1.00 1.00 N ATOM 85 CD2 HIS A 6 4.608 17.208 2.794 1.00 1.00 C ATOM 86 CE1 HIS A 6 4.374 16.971 4.935 1.00 1.00 C ATOM 87 NE2 HIS A 6 3.974 17.735 3.916 1.00 1.00 N ATOM 0 H HIS A 6 7.958 15.213 0.571 1.00 1.00 H new ATOM 0 HA HIS A 6 7.797 16.526 3.106 1.00 1.00 H new ATOM 0 HB2 HIS A 6 6.038 15.303 1.304 1.00 1.00 H new ATOM 0 HB3 HIS A 6 6.061 14.174 2.644 1.00 1.00 H new ATOM 0 HD2 HIS A 6 4.508 17.586 1.787 1.00 1.00 H new ATOM 0 HE1 HIS A 6 4.061 17.114 5.959 1.00 1.00 H new ATOM 0 HE2 HIS A 6 3.340 18.533 3.952 1.00 1.00 H new ATOM 95 N HIS A 7 7.657 14.238 4.668 1.00 1.00 N ATOM 96 CA HIS A 7 8.140 13.256 5.632 1.00 1.00 C ATOM 97 C HIS A 7 6.990 12.745 6.496 1.00 1.00 C ATOM 98 O HIS A 7 7.187 11.900 7.369 1.00 1.00 O ATOM 99 CB HIS A 7 9.213 13.881 6.524 1.00 1.00 C ATOM 100 CG HIS A 7 10.525 13.180 6.299 1.00 1.00 C ATOM 101 ND1 HIS A 7 10.621 11.799 6.223 1.00 1.00 N ATOM 102 CD2 HIS A 7 11.802 13.654 6.132 1.00 1.00 C ATOM 103 CE1 HIS A 7 11.915 11.493 6.018 1.00 1.00 C ATOM 104 NE2 HIS A 7 12.679 12.587 5.955 1.00 1.00 N ATOM 0 H HIS A 7 6.777 14.686 4.922 1.00 1.00 H new ATOM 0 HA HIS A 7 8.569 12.417 5.084 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.313 14.943 6.300 1.00 1.00 H new ATOM 0 HB3 HIS A 7 8.921 13.802 7.571 1.00 1.00 H new ATOM 0 HD2 HIS A 7 12.084 14.697 6.137 1.00 1.00 H new ATOM 0 HE1 HIS A 7 12.290 10.485 5.917 1.00 1.00 H new ATOM 0 HE2 HIS A 7 13.687 12.631 5.809 1.00 1.00 H new ATOM 112 N HIS A 8 5.793 13.264 6.245 1.00 1.00 N ATOM 113 CA HIS A 8 4.619 12.854 7.007 1.00 1.00 C ATOM 114 C HIS A 8 3.841 11.781 6.253 1.00 1.00 C ATOM 115 O HIS A 8 4.394 10.744 5.883 1.00 1.00 O ATOM 116 CB HIS A 8 3.716 14.060 7.263 1.00 1.00 C ATOM 117 CG HIS A 8 4.520 15.160 7.901 1.00 1.00 C ATOM 118 ND1 HIS A 8 5.820 15.445 7.512 1.00 1.00 N ATOM 119 CD2 HIS A 8 4.226 16.050 8.904 1.00 1.00 C ATOM 120 CE1 HIS A 8 6.257 16.467 8.269 1.00 1.00 C ATOM 121 NE2 HIS A 8 5.324 16.873 9.136 1.00 1.00 N ATOM 0 H HIS A 8 5.611 13.964 5.526 1.00 1.00 H new ATOM 0 HA HIS A 8 4.951 12.443 7.960 1.00 1.00 H new ATOM 0 HB2 HIS A 8 3.282 14.409 6.326 1.00 1.00 H new ATOM 0 HB3 HIS A 8 2.888 13.777 7.912 1.00 1.00 H new ATOM 0 HD2 HIS A 8 3.286 16.103 9.433 1.00 1.00 H new ATOM 0 HE1 HIS A 8 7.240 16.906 8.187 1.00 1.00 H new ATOM 0 HE2 HIS A 8 5.400 17.625 9.821 1.00 1.00 H new ATOM 129 N MET A 9 2.556 12.034 6.027 1.00 1.00 N ATOM 130 CA MET A 9 1.715 11.080 5.315 1.00 1.00 C ATOM 131 C MET A 9 2.177 10.934 3.869 1.00 1.00 C ATOM 132 O MET A 9 2.058 11.862 3.070 1.00 1.00 O ATOM 133 CB MET A 9 0.259 11.542 5.343 1.00 1.00 C ATOM 134 CG MET A 9 -0.529 10.833 4.239 1.00 1.00 C ATOM 135 SD MET A 9 -2.298 10.909 4.615 1.00 1.00 S ATOM 136 CE MET A 9 -2.897 10.771 2.913 1.00 1.00 C ATOM 0 H MET A 9 2.078 12.885 6.324 1.00 1.00 H new ATOM 0 HA MET A 9 1.797 10.113 5.811 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.183 11.325 6.315 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.207 12.622 5.204 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.331 11.304 3.276 1.00 1.00 H new ATOM 0 HG3 MET A 9 -0.208 9.795 4.158 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.937 10.443 2.919 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.825 11.742 2.422 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.291 10.045 2.372 1.00 1.00 H new ATOM 146 N ASP A 10 2.704 9.761 3.545 1.00 1.00 N ATOM 147 CA ASP A 10 3.183 9.495 2.195 1.00 1.00 C ATOM 148 C ASP A 10 3.627 8.042 2.056 1.00 1.00 C ATOM 149 O ASP A 10 4.481 7.719 1.229 1.00 1.00 O ATOM 150 CB ASP A 10 4.356 10.422 1.868 1.00 1.00 C ATOM 151 CG ASP A 10 5.309 10.491 3.057 1.00 1.00 C ATOM 152 OD1 ASP A 10 5.197 9.646 3.928 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.133 11.390 3.079 1.00 1.00 O ATOM 0 H ASP A 10 2.810 8.982 4.195 1.00 1.00 H new ATOM 0 HA ASP A 10 2.366 9.679 1.498 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.885 10.057 0.987 1.00 1.00 H new ATOM 0 HB3 ASP A 10 3.987 11.419 1.628 1.00 1.00 H new ATOM 158 N THR A 11 3.044 7.170 2.869 1.00 1.00 N ATOM 159 CA THR A 11 3.388 5.753 2.831 1.00 1.00 C ATOM 160 C THR A 11 2.213 4.908 3.312 1.00 1.00 C ATOM 161 O THR A 11 1.580 5.226 4.319 1.00 1.00 O ATOM 162 CB THR A 11 4.605 5.493 3.722 1.00 1.00 C ATOM 163 OG1 THR A 11 5.786 5.854 3.021 1.00 1.00 O ATOM 164 CG2 THR A 11 4.661 4.009 4.095 1.00 1.00 C ATOM 0 H THR A 11 2.335 7.416 3.559 1.00 1.00 H new ATOM 0 HA THR A 11 3.623 5.477 1.803 1.00 1.00 H new ATOM 0 HB THR A 11 4.525 6.089 4.631 1.00 1.00 H new ATOM 0 HG1 THR A 11 5.551 6.410 2.249 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.528 3.826 4.729 1.00 1.00 H new ATOM 0 HG22 THR A 11 3.753 3.735 4.633 1.00 1.00 H new ATOM 0 HG23 THR A 11 4.741 3.409 3.189 1.00 1.00 H new ATOM 172 N ILE A 12 1.927 3.832 2.584 1.00 1.00 N ATOM 173 CA ILE A 12 0.825 2.947 2.943 1.00 1.00 C ATOM 174 C ILE A 12 1.355 1.638 3.517 1.00 1.00 C ATOM 175 O ILE A 12 2.485 1.239 3.239 1.00 1.00 O ATOM 176 CB ILE A 12 -0.029 2.656 1.710 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.880 2.246 0.547 1.00 1.00 C ATOM 178 CG2 ILE A 12 -0.817 3.910 1.324 1.00 1.00 C ATOM 179 CD1 ILE A 12 0.026 1.906 -0.677 1.00 1.00 C ATOM 0 H ILE A 12 2.440 3.554 1.747 1.00 1.00 H new ATOM 0 HA ILE A 12 0.216 3.442 3.700 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.724 1.847 1.933 1.00 1.00 H new ATOM 0 HG12 ILE A 12 1.570 3.056 0.308 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.485 1.385 0.831 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.426 3.701 0.444 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.464 4.202 2.151 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.124 4.721 1.101 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.674 1.615 -1.503 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.646 1.082 -0.435 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.560 2.779 -0.966 1.00 1.00 H new ATOM 191 N ILE A 13 0.525 0.972 4.314 1.00 1.00 N ATOM 192 CA ILE A 13 0.914 -0.298 4.922 1.00 1.00 C ATOM 193 C ILE A 13 -0.208 -1.322 4.778 1.00 1.00 C ATOM 194 O ILE A 13 -1.388 -0.978 4.834 1.00 1.00 O ATOM 195 CB ILE A 13 1.253 -0.092 6.403 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.324 -1.103 6.820 1.00 1.00 C ATOM 197 CG2 ILE A 13 0.005 -0.293 7.268 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.476 -1.088 8.343 1.00 1.00 C ATOM 0 H ILE A 13 -0.415 1.287 4.553 1.00 1.00 H new ATOM 0 HA ILE A 13 1.798 -0.675 4.407 1.00 1.00 H new ATOM 0 HB ILE A 13 1.622 0.924 6.544 1.00 1.00 H new ATOM 0 HG12 ILE A 13 2.048 -2.102 6.481 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.275 -0.858 6.347 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.261 -0.144 8.317 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.760 0.426 6.975 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.376 -1.305 7.128 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.239 -1.808 8.640 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.772 -0.091 8.669 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.526 -1.354 8.806 1.00 1.00 H new ATOM 210 N LEU A 14 0.173 -2.579 4.585 1.00 1.00 N ATOM 211 CA LEU A 14 -0.808 -3.648 4.429 1.00 1.00 C ATOM 212 C LEU A 14 -0.944 -4.447 5.721 1.00 1.00 C ATOM 213 O LEU A 14 0.046 -4.709 6.406 1.00 1.00 O ATOM 214 CB LEU A 14 -0.382 -4.577 3.292 1.00 1.00 C ATOM 215 CG LEU A 14 0.123 -3.742 2.115 1.00 1.00 C ATOM 216 CD1 LEU A 14 0.448 -4.660 0.934 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.959 -2.742 1.699 1.00 1.00 C ATOM 0 H LEU A 14 1.145 -2.882 4.533 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.774 -3.201 4.193 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.401 -5.253 3.635 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -1.223 -5.196 2.979 1.00 1.00 H new ATOM 0 HG LEU A 14 1.023 -3.204 2.413 1.00 1.00 H new ATOM 0 HD11 LEU A 14 0.808 -4.062 0.097 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.218 -5.373 1.228 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.450 -5.200 0.635 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -0.600 -2.146 0.860 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.859 -3.282 1.403 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -1.190 -2.086 2.538 1.00 1.00 H new ATOM 229 N ARG A 15 -2.176 -4.829 6.045 1.00 1.00 N ATOM 230 CA ARG A 15 -2.444 -5.599 7.257 1.00 1.00 C ATOM 231 C ARG A 15 -3.111 -6.926 6.909 1.00 1.00 C ATOM 232 O ARG A 15 -3.880 -7.008 5.953 1.00 1.00 O ATOM 233 CB ARG A 15 -3.350 -4.788 8.191 1.00 1.00 C ATOM 234 CG ARG A 15 -4.154 -5.724 9.099 1.00 1.00 C ATOM 235 CD ARG A 15 -4.696 -4.929 10.292 1.00 1.00 C ATOM 236 NE ARG A 15 -3.771 -5.023 11.416 1.00 1.00 N ATOM 237 CZ ARG A 15 -4.036 -4.432 12.577 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.143 -3.759 12.728 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.189 -4.527 13.566 1.00 1.00 N ATOM 0 H ARG A 15 -3.003 -4.619 5.487 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.499 -5.807 7.759 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.747 -4.112 8.797 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -4.028 -4.169 7.603 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.977 -6.172 8.542 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.523 -6.541 9.448 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.835 -3.885 10.011 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.674 -5.314 10.582 1.00 1.00 H new ATOM 0 HE ARG A 15 -2.905 -5.552 11.309 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.805 -3.686 11.955 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.347 -3.305 13.619 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.324 -5.055 13.448 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.392 -4.074 14.457 1.00 1.00 H new ATOM 253 N ASN A 16 -2.806 -7.953 7.698 1.00 1.00 N ATOM 254 CA ASN A 16 -3.371 -9.282 7.491 1.00 1.00 C ATOM 255 C ASN A 16 -2.636 -10.026 6.379 1.00 1.00 C ATOM 256 O ASN A 16 -3.253 -10.524 5.437 1.00 1.00 O ATOM 257 CB ASN A 16 -4.852 -9.169 7.140 1.00 1.00 C ATOM 258 CG ASN A 16 -5.588 -10.437 7.556 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.324 -10.989 8.623 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.506 -10.930 6.771 1.00 1.00 N ATOM 0 H ASN A 16 -2.167 -7.889 8.491 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.256 -9.846 8.417 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.288 -8.305 7.642 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -4.968 -9.007 6.068 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -7.008 -11.776 7.041 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.722 -10.469 5.887 1.00 1.00 H new ATOM 267 N ILE A 17 -1.314 -10.105 6.495 1.00 1.00 N ATOM 268 CA ILE A 17 -0.509 -10.797 5.496 1.00 1.00 C ATOM 269 C ILE A 17 -0.184 -12.214 5.958 1.00 1.00 C ATOM 270 O ILE A 17 0.328 -12.415 7.056 1.00 1.00 O ATOM 271 CB ILE A 17 0.794 -10.034 5.250 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.498 -8.540 5.079 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.474 -10.571 3.990 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.614 -8.345 4.045 1.00 1.00 C ATOM 0 H ILE A 17 -0.781 -9.701 7.265 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.082 -10.847 4.570 1.00 1.00 H new ATOM 0 HB ILE A 17 1.456 -10.172 6.105 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.199 -8.108 6.034 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.399 -8.016 4.760 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.402 -10.026 3.817 1.00 1.00 H new ATOM 0 HG22 ILE A 17 1.694 -11.631 4.119 1.00 1.00 H new ATOM 0 HG23 ILE A 17 0.811 -10.440 3.135 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.820 -7.281 3.928 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.298 -8.761 3.088 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.517 -8.854 4.381 1.00 1.00 H new ATOM 286 N ALA A 18 -0.482 -13.194 5.113 1.00 1.00 N ATOM 287 CA ALA A 18 -0.206 -14.583 5.459 1.00 1.00 C ATOM 288 C ALA A 18 1.305 -14.815 5.540 1.00 1.00 C ATOM 289 O ALA A 18 2.079 -14.095 4.908 1.00 1.00 O ATOM 290 CB ALA A 18 -0.814 -15.516 4.408 1.00 1.00 C ATOM 0 H ALA A 18 -0.908 -13.056 4.197 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.653 -14.797 6.430 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.603 -16.551 4.675 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.893 -15.365 4.367 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.380 -15.297 3.432 1.00 1.00 H new ATOM 296 N PRO A 19 1.744 -15.795 6.294 1.00 1.00 N ATOM 297 CA PRO A 19 3.198 -16.105 6.438 1.00 1.00 C ATOM 298 C PRO A 19 3.773 -16.747 5.178 1.00 1.00 C ATOM 299 O PRO A 19 4.876 -17.295 5.198 1.00 1.00 O ATOM 300 CB PRO A 19 3.246 -17.082 7.614 1.00 1.00 C ATOM 301 CG PRO A 19 1.909 -17.746 7.623 1.00 1.00 C ATOM 302 CD PRO A 19 0.912 -16.716 7.090 1.00 1.00 C ATOM 0 HA PRO A 19 3.794 -15.207 6.599 1.00 1.00 H new ATOM 0 HB2 PRO A 19 4.047 -17.810 7.489 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.433 -16.560 8.553 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.915 -18.640 6.999 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.639 -18.062 8.631 1.00 1.00 H new ATOM 0 HD2 PRO A 19 0.140 -17.186 6.480 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.404 -16.195 7.901 1.00 1.00 H new ATOM 310 N HIS A 20 3.013 -16.680 4.088 1.00 1.00 N ATOM 311 CA HIS A 20 3.443 -17.257 2.818 1.00 1.00 C ATOM 312 C HIS A 20 3.508 -16.183 1.738 1.00 1.00 C ATOM 313 O HIS A 20 3.486 -16.485 0.546 1.00 1.00 O ATOM 314 CB HIS A 20 2.463 -18.351 2.390 1.00 1.00 C ATOM 315 CG HIS A 20 3.051 -19.133 1.249 1.00 1.00 C ATOM 316 ND1 HIS A 20 4.404 -19.421 1.168 1.00 1.00 N ATOM 317 CD2 HIS A 20 2.481 -19.699 0.135 1.00 1.00 C ATOM 318 CE1 HIS A 20 4.603 -20.129 0.042 1.00 1.00 C ATOM 319 NE2 HIS A 20 3.463 -20.327 -0.626 1.00 1.00 N ATOM 0 H HIS A 20 2.097 -16.232 4.059 1.00 1.00 H new ATOM 0 HA HIS A 20 4.437 -17.685 2.950 1.00 1.00 H new ATOM 0 HB2 HIS A 20 2.253 -19.014 3.229 1.00 1.00 H new ATOM 0 HB3 HIS A 20 1.514 -17.907 2.089 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.430 -19.662 -0.113 1.00 1.00 H new ATOM 0 HE1 HIS A 20 5.567 -20.493 -0.283 1.00 1.00 H new ATOM 0 HE2 HIS A 20 3.339 -20.830 -1.505 1.00 1.00 H new ATOM 327 N THR A 21 3.580 -14.928 2.167 1.00 1.00 N ATOM 328 CA THR A 21 3.641 -13.812 1.230 1.00 1.00 C ATOM 329 C THR A 21 5.082 -13.518 0.827 1.00 1.00 C ATOM 330 O THR A 21 6.011 -13.720 1.609 1.00 1.00 O ATOM 331 CB THR A 21 3.021 -12.565 1.864 1.00 1.00 C ATOM 332 OG1 THR A 21 1.645 -12.806 2.127 1.00 1.00 O ATOM 333 CG2 THR A 21 3.163 -11.380 0.909 1.00 1.00 C ATOM 0 H THR A 21 3.597 -14.659 3.151 1.00 1.00 H new ATOM 0 HA THR A 21 3.080 -14.085 0.337 1.00 1.00 H new ATOM 0 HB THR A 21 3.535 -12.336 2.798 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.558 -13.359 2.931 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.721 -10.493 1.362 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.219 -11.198 0.710 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.650 -11.603 -0.027 1.00 1.00 H new ATOM 341 N VAL A 22 5.257 -13.034 -0.398 1.00 1.00 N ATOM 342 CA VAL A 22 6.586 -12.704 -0.902 1.00 1.00 C ATOM 343 C VAL A 22 6.562 -11.353 -1.608 1.00 1.00 C ATOM 344 O VAL A 22 5.594 -11.016 -2.290 1.00 1.00 O ATOM 345 CB VAL A 22 7.061 -13.785 -1.873 1.00 1.00 C ATOM 346 CG1 VAL A 22 8.059 -14.705 -1.167 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.861 -14.606 -2.349 1.00 1.00 C ATOM 0 H VAL A 22 4.499 -12.862 -1.058 1.00 1.00 H new ATOM 0 HA VAL A 22 7.275 -12.651 -0.059 1.00 1.00 H new ATOM 0 HB VAL A 22 7.544 -13.315 -2.730 1.00 1.00 H new ATOM 0 HG11 VAL A 22 8.397 -15.475 -1.860 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.915 -14.121 -0.828 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.577 -15.175 -0.309 1.00 1.00 H new ATOM 0 HG21 VAL A 22 6.199 -15.377 -3.041 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.378 -15.075 -1.492 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.150 -13.952 -2.853 1.00 1.00 H new ATOM 357 N VAL A 23 7.631 -10.584 -1.440 1.00 1.00 N ATOM 358 CA VAL A 23 7.718 -9.269 -2.065 1.00 1.00 C ATOM 359 C VAL A 23 7.266 -9.333 -3.522 1.00 1.00 C ATOM 360 O VAL A 23 6.767 -8.350 -4.068 1.00 1.00 O ATOM 361 CB VAL A 23 9.157 -8.756 -1.998 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.354 -7.647 -3.032 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.433 -8.201 -0.599 1.00 1.00 C ATOM 0 H VAL A 23 8.444 -10.845 -0.881 1.00 1.00 H new ATOM 0 HA VAL A 23 7.062 -8.587 -1.524 1.00 1.00 H new ATOM 0 HB VAL A 23 9.845 -9.575 -2.209 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.380 -7.282 -2.983 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.156 -8.040 -4.029 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.667 -6.827 -2.822 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.458 -7.835 -0.549 1.00 1.00 H new ATOM 0 HG22 VAL A 23 8.744 -7.382 -0.390 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.293 -8.990 0.140 1.00 1.00 H new ATOM 373 N ASP A 24 7.445 -10.492 -4.145 1.00 1.00 N ATOM 374 CA ASP A 24 7.051 -10.666 -5.539 1.00 1.00 C ATOM 375 C ASP A 24 5.533 -10.657 -5.681 1.00 1.00 C ATOM 376 O ASP A 24 4.976 -9.883 -6.458 1.00 1.00 O ATOM 377 CB ASP A 24 7.606 -11.989 -6.074 1.00 1.00 C ATOM 378 CG ASP A 24 8.141 -11.799 -7.488 1.00 1.00 C ATOM 379 OD1 ASP A 24 7.335 -11.716 -8.401 1.00 1.00 O ATOM 380 OD2 ASP A 24 9.351 -11.747 -7.641 1.00 1.00 O ATOM 0 H ASP A 24 7.857 -11.319 -3.712 1.00 1.00 H new ATOM 0 HA ASP A 24 7.459 -9.836 -6.115 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.401 -12.349 -5.421 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.824 -12.748 -6.072 1.00 1.00 H new ATOM 385 N SER A 25 4.869 -11.526 -4.926 1.00 1.00 N ATOM 386 CA SER A 25 3.413 -11.614 -4.978 1.00 1.00 C ATOM 387 C SER A 25 2.781 -10.236 -4.811 1.00 1.00 C ATOM 388 O SER A 25 1.922 -9.836 -5.597 1.00 1.00 O ATOM 389 CB SER A 25 2.907 -12.544 -3.874 1.00 1.00 C ATOM 390 OG SER A 25 3.235 -13.886 -4.205 1.00 1.00 O ATOM 0 H SER A 25 5.311 -12.175 -4.275 1.00 1.00 H new ATOM 0 HA SER A 25 3.130 -12.014 -5.952 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.357 -12.272 -2.919 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.828 -12.439 -3.760 1.00 1.00 H new ATOM 0 HG SER A 25 2.914 -14.485 -3.499 1.00 1.00 H new ATOM 396 N ILE A 26 3.210 -9.514 -3.782 1.00 1.00 N ATOM 397 CA ILE A 26 2.676 -8.182 -3.517 1.00 1.00 C ATOM 398 C ILE A 26 2.968 -7.242 -4.683 1.00 1.00 C ATOM 399 O ILE A 26 2.101 -6.482 -5.112 1.00 1.00 O ATOM 400 CB ILE A 26 3.297 -7.617 -2.238 1.00 1.00 C ATOM 401 CG1 ILE A 26 2.875 -8.481 -1.039 1.00 1.00 C ATOM 402 CG2 ILE A 26 2.831 -6.173 -2.036 1.00 1.00 C ATOM 403 CD1 ILE A 26 1.562 -7.961 -0.446 1.00 1.00 C ATOM 0 H ILE A 26 3.922 -9.825 -3.121 1.00 1.00 H new ATOM 0 HA ILE A 26 1.596 -8.263 -3.394 1.00 1.00 H new ATOM 0 HB ILE A 26 4.384 -7.630 -2.322 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.755 -9.518 -1.353 1.00 1.00 H new ATOM 0 HG13 ILE A 26 3.656 -8.467 -0.279 1.00 1.00 H new ATOM 0 HG21 ILE A 26 3.274 -5.772 -1.125 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.142 -5.568 -2.888 1.00 1.00 H new ATOM 0 HG23 ILE A 26 1.744 -6.150 -1.952 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.275 -8.582 0.402 1.00 1.00 H new ATOM 0 HD12 ILE A 26 1.695 -6.932 -0.113 1.00 1.00 H new ATOM 0 HD13 ILE A 26 0.780 -7.999 -1.204 1.00 1.00 H new ATOM 415 N MET A 27 4.196 -7.296 -5.188 1.00 1.00 N ATOM 416 CA MET A 27 4.594 -6.441 -6.299 1.00 1.00 C ATOM 417 C MET A 27 3.706 -6.678 -7.518 1.00 1.00 C ATOM 418 O MET A 27 3.039 -5.761 -7.998 1.00 1.00 O ATOM 419 CB MET A 27 6.053 -6.718 -6.669 1.00 1.00 C ATOM 420 CG MET A 27 6.973 -5.921 -5.744 1.00 1.00 C ATOM 421 SD MET A 27 8.686 -6.447 -5.997 1.00 1.00 S ATOM 422 CE MET A 27 9.149 -5.157 -7.179 1.00 1.00 C ATOM 0 H MET A 27 4.928 -7.919 -4.848 1.00 1.00 H new ATOM 0 HA MET A 27 4.483 -5.403 -5.986 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.266 -7.783 -6.581 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.235 -6.441 -7.707 1.00 1.00 H new ATOM 0 HG2 MET A 27 6.875 -4.855 -5.947 1.00 1.00 H new ATOM 0 HG3 MET A 27 6.684 -6.076 -4.705 1.00 1.00 H new ATOM 0 HE1 MET A 27 10.088 -5.426 -7.662 1.00 1.00 H new ATOM 0 HE2 MET A 27 8.369 -5.058 -7.933 1.00 1.00 H new ATOM 0 HE3 MET A 27 9.269 -4.209 -6.654 1.00 1.00 H new ATOM 432 N THR A 28 3.708 -7.908 -8.018 1.00 1.00 N ATOM 433 CA THR A 28 2.906 -8.251 -9.186 1.00 1.00 C ATOM 434 C THR A 28 1.434 -7.919 -8.960 1.00 1.00 C ATOM 435 O THR A 28 0.688 -7.691 -9.911 1.00 1.00 O ATOM 436 CB THR A 28 3.050 -9.744 -9.497 1.00 1.00 C ATOM 437 OG1 THR A 28 4.407 -10.129 -9.336 1.00 1.00 O ATOM 438 CG2 THR A 28 2.610 -10.011 -10.937 1.00 1.00 C ATOM 0 H THR A 28 4.253 -8.681 -7.635 1.00 1.00 H new ATOM 0 HA THR A 28 3.268 -7.662 -10.029 1.00 1.00 H new ATOM 0 HB THR A 28 2.424 -10.320 -8.816 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.502 -11.084 -9.533 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.713 -11.073 -11.158 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.569 -9.714 -11.060 1.00 1.00 H new ATOM 0 HG23 THR A 28 3.235 -9.436 -11.621 1.00 1.00 H new ATOM 446 N ALA A 29 1.019 -7.901 -7.697 1.00 1.00 N ATOM 447 CA ALA A 29 -0.371 -7.603 -7.368 1.00 1.00 C ATOM 448 C ALA A 29 -0.657 -6.108 -7.499 1.00 1.00 C ATOM 449 O ALA A 29 -1.765 -5.709 -7.860 1.00 1.00 O ATOM 450 CB ALA A 29 -0.679 -8.059 -5.941 1.00 1.00 C ATOM 0 H ALA A 29 1.618 -8.087 -6.892 1.00 1.00 H new ATOM 0 HA ALA A 29 -1.008 -8.141 -8.070 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.718 -7.833 -5.703 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.513 -9.133 -5.858 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -0.025 -7.536 -5.243 1.00 1.00 H new ATOM 456 N LEU A 30 0.342 -5.287 -7.195 1.00 1.00 N ATOM 457 CA LEU A 30 0.181 -3.838 -7.274 1.00 1.00 C ATOM 458 C LEU A 30 0.809 -3.284 -8.553 1.00 1.00 C ATOM 459 O LEU A 30 0.899 -2.068 -8.733 1.00 1.00 O ATOM 460 CB LEU A 30 0.832 -3.173 -6.058 1.00 1.00 C ATOM 461 CG LEU A 30 -0.063 -3.350 -4.824 1.00 1.00 C ATOM 462 CD1 LEU A 30 0.696 -2.888 -3.579 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.347 -2.519 -4.968 1.00 1.00 C ATOM 0 H LEU A 30 1.266 -5.596 -6.894 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.886 -3.617 -7.287 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.812 -3.613 -5.873 1.00 1.00 H new ATOM 0 HB3 LEU A 30 0.990 -2.113 -6.254 1.00 1.00 H new ATOM 0 HG LEU A 30 -0.331 -4.403 -4.732 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.063 -3.012 -2.700 1.00 1.00 H new ATOM 0 HD12 LEU A 30 1.601 -3.485 -3.462 1.00 1.00 H new ATOM 0 HD13 LEU A 30 0.966 -1.837 -3.686 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.970 -2.656 -4.084 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -1.089 -1.465 -5.070 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.894 -2.845 -5.852 1.00 1.00 H new ATOM 475 N SER A 31 1.250 -4.177 -9.433 1.00 1.00 N ATOM 476 CA SER A 31 1.875 -3.759 -10.683 1.00 1.00 C ATOM 477 C SER A 31 0.898 -2.982 -11.570 1.00 1.00 C ATOM 478 O SER A 31 1.204 -1.871 -12.002 1.00 1.00 O ATOM 479 CB SER A 31 2.405 -4.977 -11.442 1.00 1.00 C ATOM 480 OG SER A 31 1.917 -4.948 -12.776 1.00 1.00 O ATOM 0 H SER A 31 1.187 -5.187 -9.306 1.00 1.00 H new ATOM 0 HA SER A 31 2.704 -3.097 -10.432 1.00 1.00 H new ATOM 0 HB2 SER A 31 3.495 -4.974 -11.441 1.00 1.00 H new ATOM 0 HB3 SER A 31 2.088 -5.895 -10.947 1.00 1.00 H new ATOM 0 HG SER A 31 2.256 -5.726 -13.265 1.00 1.00 H new ATOM 486 N PRO A 32 -0.257 -3.533 -11.859 1.00 1.00 N ATOM 487 CA PRO A 32 -1.267 -2.855 -12.723 1.00 1.00 C ATOM 488 C PRO A 32 -2.026 -1.760 -11.981 1.00 1.00 C ATOM 489 O PRO A 32 -2.829 -1.038 -12.572 1.00 1.00 O ATOM 490 CB PRO A 32 -2.205 -3.987 -13.132 1.00 1.00 C ATOM 491 CG PRO A 32 -2.129 -4.983 -12.023 1.00 1.00 C ATOM 492 CD PRO A 32 -0.737 -4.852 -11.401 1.00 1.00 C ATOM 0 HA PRO A 32 -0.805 -2.347 -13.570 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.224 -3.624 -13.265 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -1.898 -4.429 -14.080 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -2.903 -4.793 -11.280 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.290 -5.993 -12.400 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.781 -4.904 -10.313 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.076 -5.653 -11.732 1.00 1.00 H new ATOM 500 N TYR A 33 -1.771 -1.644 -10.683 1.00 1.00 N ATOM 501 CA TYR A 33 -2.445 -0.632 -9.874 1.00 1.00 C ATOM 502 C TYR A 33 -1.621 0.653 -9.810 1.00 1.00 C ATOM 503 O TYR A 33 -2.174 1.746 -9.685 1.00 1.00 O ATOM 504 CB TYR A 33 -2.683 -1.160 -8.457 1.00 1.00 C ATOM 505 CG TYR A 33 -3.772 -2.204 -8.487 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.468 -3.527 -8.827 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.088 -1.847 -8.170 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.481 -4.494 -8.854 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.101 -2.815 -8.197 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.796 -4.138 -8.536 1.00 1.00 C ATOM 511 OH TYR A 33 -6.795 -5.092 -8.563 1.00 1.00 O ATOM 0 H TYR A 33 -1.111 -2.230 -10.172 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.403 -0.409 -10.343 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.764 -1.589 -8.058 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -2.967 -0.342 -7.795 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.452 -3.803 -9.069 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.322 -0.827 -7.905 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.247 -5.514 -9.120 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.117 -2.540 -7.956 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.649 -4.679 -8.316 1.00 1.00 H new ATOM 521 N ALA A 34 -0.301 0.517 -9.895 1.00 1.00 N ATOM 522 CA ALA A 34 0.580 1.678 -9.843 1.00 1.00 C ATOM 523 C ALA A 34 2.021 1.266 -10.122 1.00 1.00 C ATOM 524 O ALA A 34 2.289 0.124 -10.493 1.00 1.00 O ATOM 525 CB ALA A 34 0.497 2.339 -8.466 1.00 1.00 C ATOM 0 H ALA A 34 0.178 -0.377 -9.999 1.00 1.00 H new ATOM 0 HA ALA A 34 0.259 2.388 -10.606 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.159 3.205 -8.438 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.528 2.659 -8.277 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.801 1.625 -7.701 1.00 1.00 H new ATOM 531 N SER A 35 2.939 2.206 -9.936 1.00 1.00 N ATOM 532 CA SER A 35 4.355 1.939 -10.165 1.00 1.00 C ATOM 533 C SER A 35 5.098 1.837 -8.836 1.00 1.00 C ATOM 534 O SER A 35 5.129 2.791 -8.059 1.00 1.00 O ATOM 535 CB SER A 35 4.968 3.057 -11.008 1.00 1.00 C ATOM 536 OG SER A 35 4.387 4.300 -10.634 1.00 1.00 O ATOM 0 H SER A 35 2.731 3.156 -9.629 1.00 1.00 H new ATOM 0 HA SER A 35 4.447 0.992 -10.697 1.00 1.00 H new ATOM 0 HB2 SER A 35 6.048 3.088 -10.861 1.00 1.00 H new ATOM 0 HB3 SER A 35 4.795 2.866 -12.067 1.00 1.00 H new ATOM 0 HG SER A 35 4.364 4.370 -9.657 1.00 1.00 H new ATOM 542 N LEU A 36 5.694 0.675 -8.586 1.00 1.00 N ATOM 543 CA LEU A 36 6.438 0.454 -7.347 1.00 1.00 C ATOM 544 C LEU A 36 7.935 0.401 -7.626 1.00 1.00 C ATOM 545 O LEU A 36 8.363 0.392 -8.780 1.00 1.00 O ATOM 546 CB LEU A 36 5.997 -0.853 -6.680 1.00 1.00 C ATOM 547 CG LEU A 36 5.163 -1.692 -7.653 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.031 -3.115 -7.113 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.767 -1.078 -7.796 1.00 1.00 C ATOM 0 H LEU A 36 5.678 -0.124 -9.219 1.00 1.00 H new ATOM 0 HA LEU A 36 6.228 1.286 -6.675 1.00 1.00 H new ATOM 0 HB2 LEU A 36 6.872 -1.419 -6.359 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.414 -0.634 -5.786 1.00 1.00 H new ATOM 0 HG LEU A 36 5.655 -1.711 -8.625 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.438 -3.713 -7.805 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.022 -3.558 -7.008 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.540 -3.091 -6.140 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.175 -1.677 -8.489 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.277 -1.059 -6.823 1.00 1.00 H new ATOM 0 HD23 LEU A 36 3.854 -0.061 -8.178 1.00 1.00 H new ATOM 561 N ALA A 37 8.728 0.367 -6.561 1.00 1.00 N ATOM 562 CA ALA A 37 10.178 0.314 -6.700 1.00 1.00 C ATOM 563 C ALA A 37 10.790 -0.532 -5.587 1.00 1.00 C ATOM 564 O ALA A 37 10.507 -0.324 -4.407 1.00 1.00 O ATOM 565 CB ALA A 37 10.758 1.730 -6.662 1.00 1.00 C ATOM 0 H ALA A 37 8.394 0.375 -5.597 1.00 1.00 H new ATOM 0 HA ALA A 37 10.420 -0.145 -7.658 1.00 1.00 H new ATOM 0 HB1 ALA A 37 11.842 1.682 -6.766 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.340 2.316 -7.480 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.505 2.201 -5.712 1.00 1.00 H new ATOM 571 N VAL A 38 11.623 -1.495 -5.971 1.00 1.00 N ATOM 572 CA VAL A 38 12.264 -2.379 -5.004 1.00 1.00 C ATOM 573 C VAL A 38 12.910 -1.586 -3.867 1.00 1.00 C ATOM 574 O VAL A 38 12.878 -2.005 -2.711 1.00 1.00 O ATOM 575 CB VAL A 38 13.332 -3.222 -5.703 1.00 1.00 C ATOM 576 CG1 VAL A 38 13.969 -4.180 -4.695 1.00 1.00 C ATOM 577 CG2 VAL A 38 12.684 -4.028 -6.831 1.00 1.00 C ATOM 0 H VAL A 38 11.869 -1.682 -6.943 1.00 1.00 H new ATOM 0 HA VAL A 38 11.496 -3.026 -4.579 1.00 1.00 H new ATOM 0 HB VAL A 38 14.099 -2.567 -6.115 1.00 1.00 H new ATOM 0 HG11 VAL A 38 14.730 -4.780 -5.194 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.429 -3.608 -3.890 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.203 -4.836 -4.282 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.443 -4.630 -7.331 1.00 1.00 H new ATOM 0 HG22 VAL A 38 11.917 -4.682 -6.416 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.229 -3.347 -7.550 1.00 1.00 H new ATOM 587 N ASN A 39 13.510 -0.449 -4.206 1.00 1.00 N ATOM 588 CA ASN A 39 14.179 0.382 -3.207 1.00 1.00 C ATOM 589 C ASN A 39 13.183 1.252 -2.440 1.00 1.00 C ATOM 590 O ASN A 39 13.579 2.043 -1.583 1.00 1.00 O ATOM 591 CB ASN A 39 15.216 1.277 -3.888 1.00 1.00 C ATOM 592 CG ASN A 39 15.067 1.186 -5.403 1.00 1.00 C ATOM 593 OD1 ASN A 39 14.263 1.906 -5.994 1.00 1.00 O ATOM 594 ND2 ASN A 39 15.798 0.335 -6.071 1.00 1.00 N ATOM 0 H ASN A 39 13.548 -0.083 -5.157 1.00 1.00 H new ATOM 0 HA ASN A 39 14.669 -0.283 -2.495 1.00 1.00 H new ATOM 0 HB2 ASN A 39 15.087 2.309 -3.563 1.00 1.00 H new ATOM 0 HB3 ASN A 39 16.221 0.973 -3.594 1.00 1.00 H new ATOM 0 HD21 ASN A 39 15.703 0.266 -7.084 1.00 1.00 H new ATOM 0 HD22 ASN A 39 16.464 -0.261 -5.580 1.00 1.00 H new ATOM 601 N ASN A 40 11.896 1.106 -2.753 1.00 1.00 N ATOM 602 CA ASN A 40 10.858 1.894 -2.082 1.00 1.00 C ATOM 603 C ASN A 40 9.945 0.998 -1.246 1.00 1.00 C ATOM 604 O ASN A 40 9.001 1.482 -0.622 1.00 1.00 O ATOM 605 CB ASN A 40 10.017 2.649 -3.122 1.00 1.00 C ATOM 606 CG ASN A 40 9.850 4.119 -2.743 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.048 4.503 -1.589 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.486 4.970 -3.661 1.00 1.00 N ATOM 0 H ASN A 40 11.548 0.457 -3.459 1.00 1.00 H new ATOM 0 HA ASN A 40 11.350 2.606 -1.420 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.493 2.576 -4.100 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.037 2.180 -3.209 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.365 5.955 -3.424 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.322 4.651 -4.616 1.00 1.00 H new ATOM 615 N ILE A 41 10.226 -0.306 -1.235 1.00 1.00 N ATOM 616 CA ILE A 41 9.416 -1.245 -0.470 1.00 1.00 C ATOM 617 C ILE A 41 10.303 -2.144 0.385 1.00 1.00 C ATOM 618 O ILE A 41 11.329 -2.643 -0.079 1.00 1.00 O ATOM 619 CB ILE A 41 8.568 -2.097 -1.417 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.468 -3.007 -2.257 1.00 1.00 C ATOM 621 CG2 ILE A 41 7.769 -1.181 -2.346 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.624 -3.711 -3.323 1.00 1.00 C ATOM 0 H ILE A 41 11.002 -0.730 -1.744 1.00 1.00 H new ATOM 0 HA ILE A 41 8.757 -0.679 0.188 1.00 1.00 H new ATOM 0 HB ILE A 41 7.888 -2.712 -0.828 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.257 -2.421 -2.730 1.00 1.00 H new ATOM 0 HG13 ILE A 41 9.957 -3.743 -1.619 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.164 -1.786 -3.022 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.118 -0.539 -1.752 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.455 -0.564 -2.927 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.262 -4.360 -3.923 1.00 1.00 H new ATOM 0 HD12 ILE A 41 7.852 -4.309 -2.839 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.156 -2.966 -3.967 1.00 1.00 H new ATOM 634 N ARG A 42 9.897 -2.344 1.636 1.00 1.00 N ATOM 635 CA ARG A 42 10.658 -3.182 2.555 1.00 1.00 C ATOM 636 C ARG A 42 9.741 -4.173 3.266 1.00 1.00 C ATOM 637 O ARG A 42 8.770 -3.780 3.912 1.00 1.00 O ATOM 638 CB ARG A 42 11.367 -2.308 3.592 1.00 1.00 C ATOM 639 CG ARG A 42 12.548 -3.077 4.189 1.00 1.00 C ATOM 640 CD ARG A 42 12.961 -2.432 5.513 1.00 1.00 C ATOM 641 NE ARG A 42 14.413 -2.443 5.648 1.00 1.00 N ATOM 642 CZ ARG A 42 15.174 -1.610 4.945 1.00 1.00 C ATOM 643 NH1 ARG A 42 14.626 -0.765 4.117 1.00 1.00 N ATOM 644 NH2 ARG A 42 16.472 -1.637 5.086 1.00 1.00 N ATOM 0 H ARG A 42 9.050 -1.939 2.034 1.00 1.00 H new ATOM 0 HA ARG A 42 11.398 -3.739 1.979 1.00 1.00 H new ATOM 0 HB2 ARG A 42 11.717 -1.386 3.127 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.670 -2.023 4.380 1.00 1.00 H new ATOM 0 HG2 ARG A 42 12.273 -4.119 4.350 1.00 1.00 H new ATOM 0 HG3 ARG A 42 13.387 -3.073 3.493 1.00 1.00 H new ATOM 0 HD2 ARG A 42 12.592 -1.407 5.557 1.00 1.00 H new ATOM 0 HD3 ARG A 42 12.507 -2.970 6.345 1.00 1.00 H new ATOM 0 HE ARG A 42 14.852 -3.101 6.292 1.00 1.00 H new ATOM 0 HH11 ARG A 42 13.612 -0.742 4.008 1.00 1.00 H new ATOM 0 HH12 ARG A 42 15.211 -0.126 3.578 1.00 1.00 H new ATOM 0 HH21 ARG A 42 16.901 -2.297 5.735 1.00 1.00 H new ATOM 0 HH22 ARG A 42 17.057 -0.998 4.547 1.00 1.00 H new ATOM 658 N LEU A 43 10.060 -5.456 3.143 1.00 1.00 N ATOM 659 CA LEU A 43 9.263 -6.500 3.779 1.00 1.00 C ATOM 660 C LEU A 43 9.913 -6.927 5.090 1.00 1.00 C ATOM 661 O LEU A 43 10.892 -7.671 5.095 1.00 1.00 O ATOM 662 CB LEU A 43 9.156 -7.710 2.843 1.00 1.00 C ATOM 663 CG LEU A 43 7.686 -8.070 2.589 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.991 -8.382 3.913 1.00 1.00 C ATOM 665 CD2 LEU A 43 6.972 -6.903 1.901 1.00 1.00 C ATOM 0 H LEU A 43 10.861 -5.798 2.612 1.00 1.00 H new ATOM 0 HA LEU A 43 8.266 -6.109 3.984 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.650 -7.489 1.897 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.674 -8.563 3.282 1.00 1.00 H new ATOM 0 HG LEU A 43 7.645 -8.947 1.943 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.948 -8.637 3.725 1.00 1.00 H new ATOM 0 HD12 LEU A 43 7.489 -9.223 4.396 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.040 -7.509 4.564 1.00 1.00 H new ATOM 0 HD21 LEU A 43 5.929 -7.167 1.725 1.00 1.00 H new ATOM 0 HD22 LEU A 43 7.020 -6.020 2.539 1.00 1.00 H new ATOM 0 HD23 LEU A 43 7.458 -6.689 0.949 1.00 1.00 H new ATOM 677 N ILE A 44 9.361 -6.453 6.201 1.00 1.00 N ATOM 678 CA ILE A 44 9.900 -6.797 7.510 1.00 1.00 C ATOM 679 C ILE A 44 9.846 -8.305 7.715 1.00 1.00 C ATOM 680 O ILE A 44 8.818 -8.849 8.113 1.00 1.00 O ATOM 681 CB ILE A 44 9.092 -6.099 8.606 1.00 1.00 C ATOM 682 CG1 ILE A 44 9.645 -6.495 9.975 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.625 -6.521 8.508 1.00 1.00 C ATOM 684 CD1 ILE A 44 9.526 -5.309 10.932 1.00 1.00 C ATOM 0 H ILE A 44 8.549 -5.836 6.222 1.00 1.00 H new ATOM 0 HA ILE A 44 10.937 -6.466 7.563 1.00 1.00 H new ATOM 0 HB ILE A 44 9.167 -5.019 8.480 1.00 1.00 H new ATOM 0 HG12 ILE A 44 9.096 -7.350 10.368 1.00 1.00 H new ATOM 0 HG13 ILE A 44 10.687 -6.800 9.884 1.00 1.00 H new ATOM 0 HG21 ILE A 44 7.050 -6.023 9.289 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.230 -6.240 7.532 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.548 -7.601 8.633 1.00 1.00 H new ATOM 0 HD11 ILE A 44 9.920 -5.589 11.909 1.00 1.00 H new ATOM 0 HD12 ILE A 44 10.095 -4.466 10.539 1.00 1.00 H new ATOM 0 HD13 ILE A 44 8.478 -5.025 11.031 1.00 1.00 H new ATOM 696 N LYS A 45 10.960 -8.975 7.437 1.00 1.00 N ATOM 697 CA LYS A 45 11.025 -10.427 7.583 1.00 1.00 C ATOM 698 C LYS A 45 11.305 -10.815 9.031 1.00 1.00 C ATOM 699 O LYS A 45 12.031 -10.119 9.741 1.00 1.00 O ATOM 700 CB LYS A 45 12.116 -11.003 6.669 1.00 1.00 C ATOM 701 CG LYS A 45 11.669 -12.358 6.111 1.00 1.00 C ATOM 702 CD LYS A 45 12.727 -12.876 5.134 1.00 1.00 C ATOM 703 CE LYS A 45 12.308 -12.541 3.700 1.00 1.00 C ATOM 704 NZ LYS A 45 13.505 -12.583 2.811 1.00 1.00 N ATOM 0 H LYS A 45 11.824 -8.541 7.112 1.00 1.00 H new ATOM 0 HA LYS A 45 10.059 -10.841 7.294 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.319 -10.312 5.851 1.00 1.00 H new ATOM 0 HB3 LYS A 45 13.046 -11.118 7.226 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.528 -13.070 6.924 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.709 -12.257 5.605 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.694 -12.425 5.356 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.845 -13.954 5.247 1.00 1.00 H new ATOM 0 HE2 LYS A 45 11.559 -13.252 3.353 1.00 1.00 H new ATOM 0 HE3 LYS A 45 11.850 -11.553 3.665 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 13.222 -12.356 1.836 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 14.206 -11.888 3.139 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 13.923 -13.535 2.837 1.00 1.00 H new ATOM 718 N ASP A 46 10.717 -11.929 9.459 1.00 1.00 N ATOM 719 CA ASP A 46 10.896 -12.411 10.825 1.00 1.00 C ATOM 720 C ASP A 46 11.731 -13.686 10.845 1.00 1.00 C ATOM 721 O ASP A 46 11.827 -14.394 9.843 1.00 1.00 O ATOM 722 CB ASP A 46 9.535 -12.686 11.464 1.00 1.00 C ATOM 723 CG ASP A 46 9.441 -11.985 12.814 1.00 1.00 C ATOM 724 OD1 ASP A 46 9.469 -10.766 12.831 1.00 1.00 O ATOM 725 OD2 ASP A 46 9.339 -12.680 13.813 1.00 1.00 O ATOM 0 H ASP A 46 10.114 -12.514 8.881 1.00 1.00 H new ATOM 0 HA ASP A 46 11.418 -11.640 11.392 1.00 1.00 H new ATOM 0 HB2 ASP A 46 8.739 -12.336 10.807 1.00 1.00 H new ATOM 0 HB3 ASP A 46 9.394 -13.759 11.592 1.00 1.00 H new ATOM 730 N LYS A 47 12.326 -13.977 11.997 1.00 1.00 N ATOM 731 CA LYS A 47 13.143 -15.176 12.143 1.00 1.00 C ATOM 732 C LYS A 47 12.290 -16.346 12.630 1.00 1.00 C ATOM 733 O LYS A 47 12.733 -17.494 12.627 1.00 1.00 O ATOM 734 CB LYS A 47 14.277 -14.913 13.138 1.00 1.00 C ATOM 735 CG LYS A 47 15.172 -16.151 13.247 1.00 1.00 C ATOM 736 CD LYS A 47 14.886 -16.878 14.564 1.00 1.00 C ATOM 737 CE LYS A 47 15.509 -16.101 15.726 1.00 1.00 C ATOM 738 NZ LYS A 47 14.528 -16.013 16.845 1.00 1.00 N ATOM 0 H LYS A 47 12.259 -13.403 12.838 1.00 1.00 H new ATOM 0 HA LYS A 47 13.566 -15.431 11.171 1.00 1.00 H new ATOM 0 HB2 LYS A 47 14.866 -14.055 12.813 1.00 1.00 H new ATOM 0 HB3 LYS A 47 13.864 -14.665 14.116 1.00 1.00 H new ATOM 0 HG2 LYS A 47 14.990 -16.819 12.405 1.00 1.00 H new ATOM 0 HG3 LYS A 47 16.221 -15.859 13.202 1.00 1.00 H new ATOM 0 HD2 LYS A 47 13.810 -16.973 14.712 1.00 1.00 H new ATOM 0 HD3 LYS A 47 15.293 -17.888 14.529 1.00 1.00 H new ATOM 0 HE2 LYS A 47 16.419 -16.597 16.064 1.00 1.00 H new ATOM 0 HE3 LYS A 47 15.794 -15.101 15.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 14.950 -15.485 17.636 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 13.672 -15.521 16.518 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 14.277 -16.971 17.163 1.00 1.00 H new ATOM 752 N GLN A 48 11.065 -16.044 13.052 1.00 1.00 N ATOM 753 CA GLN A 48 10.160 -17.078 13.546 1.00 1.00 C ATOM 754 C GLN A 48 9.632 -17.932 12.397 1.00 1.00 C ATOM 755 O GLN A 48 9.815 -19.150 12.385 1.00 1.00 O ATOM 756 CB GLN A 48 8.986 -16.433 14.286 1.00 1.00 C ATOM 757 CG GLN A 48 8.026 -17.520 14.771 1.00 1.00 C ATOM 758 CD GLN A 48 7.097 -16.956 15.840 1.00 1.00 C ATOM 759 OE1 GLN A 48 7.233 -17.287 17.018 1.00 1.00 O ATOM 760 NE2 GLN A 48 6.158 -16.117 15.499 1.00 1.00 N ATOM 0 H GLN A 48 10.678 -15.100 13.062 1.00 1.00 H new ATOM 0 HA GLN A 48 10.715 -17.720 14.230 1.00 1.00 H new ATOM 0 HB2 GLN A 48 9.352 -15.852 15.133 1.00 1.00 H new ATOM 0 HB3 GLN A 48 8.464 -15.740 13.626 1.00 1.00 H new ATOM 0 HG2 GLN A 48 7.441 -17.901 13.933 1.00 1.00 H new ATOM 0 HG3 GLN A 48 8.590 -18.361 15.174 1.00 1.00 H new ATOM 0 HE21 GLN A 48 6.048 -15.845 14.522 1.00 1.00 H new ATOM 0 HE22 GLN A 48 5.534 -15.733 16.209 1.00 1.00 H new ATOM 769 N THR A 49 8.978 -17.286 11.433 1.00 1.00 N ATOM 770 CA THR A 49 8.430 -17.997 10.282 1.00 1.00 C ATOM 771 C THR A 49 9.250 -17.688 9.032 1.00 1.00 C ATOM 772 O THR A 49 8.777 -17.852 7.908 1.00 1.00 O ATOM 773 CB THR A 49 6.966 -17.597 10.062 1.00 1.00 C ATOM 774 OG1 THR A 49 6.431 -17.080 11.273 1.00 1.00 O ATOM 775 CG2 THR A 49 6.162 -18.824 9.633 1.00 1.00 C ATOM 0 H THR A 49 8.816 -16.279 11.426 1.00 1.00 H new ATOM 0 HA THR A 49 8.477 -19.068 10.478 1.00 1.00 H new ATOM 0 HB THR A 49 6.909 -16.835 9.284 1.00 1.00 H new ATOM 0 HG1 THR A 49 5.496 -16.822 11.134 1.00 1.00 H new ATOM 0 HG21 THR A 49 5.121 -18.541 9.476 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.573 -19.222 8.705 1.00 1.00 H new ATOM 0 HG23 THR A 49 6.218 -19.586 10.411 1.00 1.00 H new ATOM 783 N GLN A 50 10.486 -17.242 9.243 1.00 1.00 N ATOM 784 CA GLN A 50 11.375 -16.913 8.134 1.00 1.00 C ATOM 785 C GLN A 50 10.621 -16.151 7.050 1.00 1.00 C ATOM 786 O GLN A 50 10.933 -16.270 5.865 1.00 1.00 O ATOM 787 CB GLN A 50 11.968 -18.193 7.540 1.00 1.00 C ATOM 788 CG GLN A 50 12.936 -18.823 8.543 1.00 1.00 C ATOM 789 CD GLN A 50 12.168 -19.331 9.758 1.00 1.00 C ATOM 790 OE1 GLN A 50 11.024 -19.765 9.632 1.00 1.00 O ATOM 791 NE2 GLN A 50 12.734 -19.307 10.934 1.00 1.00 N ATOM 0 H GLN A 50 10.893 -17.101 10.168 1.00 1.00 H new ATOM 0 HA GLN A 50 12.179 -16.283 8.514 1.00 1.00 H new ATOM 0 HB2 GLN A 50 11.171 -18.896 7.297 1.00 1.00 H new ATOM 0 HB3 GLN A 50 12.489 -17.967 6.609 1.00 1.00 H new ATOM 0 HG2 GLN A 50 13.476 -19.645 8.073 1.00 1.00 H new ATOM 0 HG3 GLN A 50 13.680 -18.089 8.853 1.00 1.00 H new ATOM 0 HE21 GLN A 50 13.683 -18.947 11.036 1.00 1.00 H new ATOM 0 HE22 GLN A 50 12.228 -19.649 11.751 1.00 1.00 H new ATOM 800 N GLN A 51 9.629 -15.371 7.466 1.00 1.00 N ATOM 801 CA GLN A 51 8.829 -14.591 6.525 1.00 1.00 C ATOM 802 C GLN A 51 8.171 -13.410 7.234 1.00 1.00 C ATOM 803 O GLN A 51 8.234 -13.291 8.457 1.00 1.00 O ATOM 804 CB GLN A 51 7.744 -15.477 5.898 1.00 1.00 C ATOM 805 CG GLN A 51 8.151 -15.890 4.478 1.00 1.00 C ATOM 806 CD GLN A 51 7.039 -16.711 3.836 1.00 1.00 C ATOM 807 OE1 GLN A 51 6.201 -16.166 3.118 1.00 1.00 O ATOM 808 NE2 GLN A 51 6.981 -17.996 4.052 1.00 1.00 N ATOM 0 H GLN A 51 9.359 -15.261 8.444 1.00 1.00 H new ATOM 0 HA GLN A 51 9.488 -14.214 5.743 1.00 1.00 H new ATOM 0 HB2 GLN A 51 7.589 -16.364 6.512 1.00 1.00 H new ATOM 0 HB3 GLN A 51 6.796 -14.939 5.870 1.00 1.00 H new ATOM 0 HG2 GLN A 51 8.354 -15.004 3.877 1.00 1.00 H new ATOM 0 HG3 GLN A 51 9.072 -16.472 4.509 1.00 1.00 H new ATOM 0 HE21 GLN A 51 7.677 -18.445 4.647 1.00 1.00 H new ATOM 0 HE22 GLN A 51 6.240 -18.552 3.625 1.00 1.00 H new ATOM 817 N ASN A 52 7.543 -12.535 6.452 1.00 1.00 N ATOM 818 CA ASN A 52 6.873 -11.359 6.996 1.00 1.00 C ATOM 819 C ASN A 52 6.174 -11.675 8.319 1.00 1.00 C ATOM 820 O ASN A 52 5.624 -12.761 8.499 1.00 1.00 O ATOM 821 CB ASN A 52 5.844 -10.846 5.989 1.00 1.00 C ATOM 822 CG ASN A 52 4.461 -11.363 6.355 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.629 -10.610 6.864 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.159 -12.612 6.126 1.00 1.00 N ATOM 0 H ASN A 52 7.485 -12.620 5.437 1.00 1.00 H new ATOM 0 HA ASN A 52 7.629 -10.596 7.184 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.844 -9.756 5.979 1.00 1.00 H new ATOM 0 HB3 ASN A 52 6.110 -11.174 4.984 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.233 -12.966 6.368 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.849 -13.234 5.705 1.00 1.00 H new ATOM 831 N ARG A 53 6.189 -10.708 9.239 1.00 1.00 N ATOM 832 CA ARG A 53 5.544 -10.890 10.538 1.00 1.00 C ATOM 833 C ARG A 53 4.067 -10.513 10.458 1.00 1.00 C ATOM 834 O ARG A 53 3.475 -10.076 11.444 1.00 1.00 O ATOM 835 CB ARG A 53 6.224 -10.014 11.595 1.00 1.00 C ATOM 836 CG ARG A 53 6.261 -10.756 12.932 1.00 1.00 C ATOM 837 CD ARG A 53 6.893 -9.860 13.998 1.00 1.00 C ATOM 838 NE ARG A 53 5.889 -8.965 14.563 1.00 1.00 N ATOM 839 CZ ARG A 53 6.027 -8.459 15.785 1.00 1.00 C ATOM 840 NH1 ARG A 53 7.080 -8.754 16.497 1.00 1.00 N ATOM 841 NH2 ARG A 53 5.111 -7.665 16.270 1.00 1.00 N ATOM 0 H ARG A 53 6.636 -9.800 9.110 1.00 1.00 H new ATOM 0 HA ARG A 53 5.636 -11.940 10.817 1.00 1.00 H new ATOM 0 HB2 ARG A 53 7.237 -9.765 11.278 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.684 -9.074 11.705 1.00 1.00 H new ATOM 0 HG2 ARG A 53 5.251 -11.038 13.231 1.00 1.00 H new ATOM 0 HG3 ARG A 53 6.833 -11.678 12.832 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.330 -10.473 14.787 1.00 1.00 H new ATOM 0 HD3 ARG A 53 7.704 -9.278 13.560 1.00 1.00 H new ATOM 0 HE ARG A 53 5.066 -8.723 14.011 1.00 1.00 H new ATOM 0 HH11 ARG A 53 7.796 -9.372 16.116 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.187 -8.366 17.434 1.00 1.00 H new ATOM 0 HH21 ARG A 53 4.290 -7.433 15.712 1.00 1.00 H new ATOM 0 HH22 ARG A 53 5.217 -7.277 17.207 1.00 1.00 H new ATOM 855 N GLY A 54 3.476 -10.682 9.279 1.00 1.00 N ATOM 856 CA GLY A 54 2.069 -10.353 9.089 1.00 1.00 C ATOM 857 C GLY A 54 1.894 -8.878 8.737 1.00 1.00 C ATOM 858 O GLY A 54 0.812 -8.315 8.906 1.00 1.00 O ATOM 0 H GLY A 54 3.945 -11.042 8.448 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.651 -10.972 8.295 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.512 -10.582 9.998 1.00 1.00 H new ATOM 862 N PHE A 55 2.963 -8.259 8.244 1.00 1.00 N ATOM 863 CA PHE A 55 2.913 -6.847 7.873 1.00 1.00 C ATOM 864 C PHE A 55 3.909 -6.547 6.755 1.00 1.00 C ATOM 865 O PHE A 55 4.970 -7.164 6.672 1.00 1.00 O ATOM 866 CB PHE A 55 3.230 -5.977 9.090 1.00 1.00 C ATOM 867 CG PHE A 55 2.420 -6.451 10.273 1.00 1.00 C ATOM 868 CD1 PHE A 55 1.057 -6.144 10.355 1.00 1.00 C ATOM 869 CD2 PHE A 55 3.031 -7.199 11.287 1.00 1.00 C ATOM 870 CE1 PHE A 55 0.305 -6.584 11.451 1.00 1.00 C ATOM 871 CE2 PHE A 55 2.280 -7.638 12.383 1.00 1.00 C ATOM 872 CZ PHE A 55 0.917 -7.331 12.465 1.00 1.00 C ATOM 0 H PHE A 55 3.867 -8.707 8.093 1.00 1.00 H new ATOM 0 HA PHE A 55 1.908 -6.621 7.516 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.294 -6.029 9.320 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.001 -4.933 8.874 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.585 -5.568 9.573 1.00 1.00 H new ATOM 0 HD2 PHE A 55 4.082 -7.437 11.223 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -0.747 -6.347 11.514 1.00 1.00 H new ATOM 0 HE2 PHE A 55 2.752 -8.214 13.165 1.00 1.00 H new ATOM 0 HZ PHE A 55 0.337 -7.670 13.311 1.00 1.00 H new ATOM 882 N ALA A 56 3.552 -5.596 5.896 1.00 1.00 N ATOM 883 CA ALA A 56 4.413 -5.213 4.781 1.00 1.00 C ATOM 884 C ALA A 56 4.392 -3.700 4.593 1.00 1.00 C ATOM 885 O ALA A 56 3.330 -3.077 4.631 1.00 1.00 O ATOM 886 CB ALA A 56 3.926 -5.893 3.501 1.00 1.00 C ATOM 0 H ALA A 56 2.675 -5.078 5.950 1.00 1.00 H new ATOM 0 HA ALA A 56 5.433 -5.529 4.999 1.00 1.00 H new ATOM 0 HB1 ALA A 56 4.570 -5.606 2.669 1.00 1.00 H new ATOM 0 HB2 ALA A 56 3.959 -6.975 3.629 1.00 1.00 H new ATOM 0 HB3 ALA A 56 2.902 -5.583 3.291 1.00 1.00 H new ATOM 892 N PHE A 57 5.566 -3.110 4.388 1.00 1.00 N ATOM 893 CA PHE A 57 5.663 -1.666 4.197 1.00 1.00 C ATOM 894 C PHE A 57 5.866 -1.330 2.723 1.00 1.00 C ATOM 895 O PHE A 57 6.693 -1.938 2.044 1.00 1.00 O ATOM 896 CB PHE A 57 6.829 -1.108 5.015 1.00 1.00 C ATOM 897 CG PHE A 57 6.295 -0.446 6.264 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.634 0.785 6.174 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.461 -1.063 7.510 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.139 1.400 7.330 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.965 -0.448 8.666 1.00 1.00 C ATOM 902 CZ PHE A 57 5.305 0.782 8.576 1.00 1.00 C ATOM 0 H PHE A 57 6.457 -3.605 4.350 1.00 1.00 H new ATOM 0 HA PHE A 57 4.732 -1.212 4.535 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.517 -1.910 5.281 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.393 -0.388 4.421 1.00 1.00 H new ATOM 0 HD1 PHE A 57 5.506 1.260 5.213 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.971 -2.012 7.579 1.00 1.00 H new ATOM 0 HE1 PHE A 57 4.630 2.350 7.261 1.00 1.00 H new ATOM 0 HE2 PHE A 57 6.092 -0.923 9.627 1.00 1.00 H new ATOM 0 HZ PHE A 57 4.923 1.256 9.468 1.00 1.00 H new ATOM 912 N VAL A 58 5.103 -0.355 2.235 1.00 1.00 N ATOM 913 CA VAL A 58 5.202 0.058 0.839 1.00 1.00 C ATOM 914 C VAL A 58 5.152 1.579 0.731 1.00 1.00 C ATOM 915 O VAL A 58 4.215 2.210 1.223 1.00 1.00 O ATOM 916 CB VAL A 58 4.053 -0.544 0.027 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.607 -1.222 -1.228 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.307 -1.578 0.875 1.00 1.00 C ATOM 0 H VAL A 58 4.414 0.161 2.782 1.00 1.00 H new ATOM 0 HA VAL A 58 6.152 -0.300 0.442 1.00 1.00 H new ATOM 0 HB VAL A 58 3.366 0.251 -0.263 1.00 1.00 H new ATOM 0 HG11 VAL A 58 3.786 -1.649 -1.803 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.133 -0.486 -1.837 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.298 -2.014 -0.939 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.490 -2.004 0.293 1.00 1.00 H new ATOM 0 HG22 VAL A 58 3.994 -2.371 1.170 1.00 1.00 H new ATOM 0 HG23 VAL A 58 2.905 -1.096 1.766 1.00 1.00 H new ATOM 928 N GLN A 59 6.160 2.162 0.083 1.00 1.00 N ATOM 929 CA GLN A 59 6.213 3.612 -0.084 1.00 1.00 C ATOM 930 C GLN A 59 5.986 3.981 -1.545 1.00 1.00 C ATOM 931 O GLN A 59 6.287 3.195 -2.444 1.00 1.00 O ATOM 932 CB GLN A 59 7.570 4.143 0.381 1.00 1.00 C ATOM 933 CG GLN A 59 7.783 3.783 1.853 1.00 1.00 C ATOM 934 CD GLN A 59 8.319 2.361 1.972 1.00 1.00 C ATOM 935 OE1 GLN A 59 7.550 1.401 1.931 1.00 1.00 O ATOM 936 NE2 GLN A 59 9.601 2.166 2.124 1.00 1.00 N ATOM 0 H GLN A 59 6.944 1.657 -0.331 1.00 1.00 H new ATOM 0 HA GLN A 59 5.427 4.064 0.521 1.00 1.00 H new ATOM 0 HB2 GLN A 59 8.367 3.716 -0.228 1.00 1.00 H new ATOM 0 HB3 GLN A 59 7.613 5.224 0.250 1.00 1.00 H new ATOM 0 HG2 GLN A 59 8.483 4.483 2.309 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.843 3.872 2.397 1.00 1.00 H new ATOM 0 HE21 GLN A 59 10.238 2.962 2.158 1.00 1.00 H new ATOM 0 HE22 GLN A 59 9.966 1.217 2.209 1.00 1.00 H new ATOM 945 N LEU A 60 5.449 5.177 -1.776 1.00 1.00 N ATOM 946 CA LEU A 60 5.181 5.634 -3.138 1.00 1.00 C ATOM 947 C LEU A 60 6.157 6.745 -3.521 1.00 1.00 C ATOM 948 O LEU A 60 6.845 7.301 -2.665 1.00 1.00 O ATOM 949 CB LEU A 60 3.738 6.158 -3.248 1.00 1.00 C ATOM 950 CG LEU A 60 2.763 5.027 -3.617 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.063 4.498 -5.022 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.877 3.878 -2.611 1.00 1.00 C ATOM 0 H LEU A 60 5.193 5.842 -1.046 1.00 1.00 H new ATOM 0 HA LEU A 60 5.310 4.792 -3.818 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.438 6.606 -2.301 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.690 6.944 -4.002 1.00 1.00 H new ATOM 0 HG LEU A 60 1.751 5.431 -3.594 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.364 3.698 -5.267 1.00 1.00 H new ATOM 0 HD12 LEU A 60 2.957 5.306 -5.745 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.082 4.112 -5.056 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.181 3.085 -2.884 1.00 1.00 H new ATOM 0 HD22 LEU A 60 3.894 3.487 -2.619 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.636 4.243 -1.613 1.00 1.00 H new ATOM 964 N SER A 61 6.220 7.057 -4.812 1.00 1.00 N ATOM 965 CA SER A 61 7.124 8.096 -5.297 1.00 1.00 C ATOM 966 C SER A 61 6.789 9.452 -4.686 1.00 1.00 C ATOM 967 O SER A 61 7.682 10.246 -4.392 1.00 1.00 O ATOM 968 CB SER A 61 7.041 8.187 -6.821 1.00 1.00 C ATOM 969 OG SER A 61 7.610 7.018 -7.395 1.00 1.00 O ATOM 0 H SER A 61 5.660 6.609 -5.537 1.00 1.00 H new ATOM 0 HA SER A 61 8.137 7.827 -4.998 1.00 1.00 H new ATOM 0 HB2 SER A 61 6.002 8.291 -7.134 1.00 1.00 H new ATOM 0 HB3 SER A 61 7.570 9.073 -7.173 1.00 1.00 H new ATOM 0 HG SER A 61 7.556 7.074 -8.372 1.00 1.00 H new ATOM 975 N SER A 62 5.498 9.712 -4.505 1.00 1.00 N ATOM 976 CA SER A 62 5.050 10.979 -3.933 1.00 1.00 C ATOM 977 C SER A 62 4.128 10.738 -2.743 1.00 1.00 C ATOM 978 O SER A 62 3.870 9.595 -2.365 1.00 1.00 O ATOM 979 CB SER A 62 4.311 11.796 -4.994 1.00 1.00 C ATOM 980 OG SER A 62 4.882 11.535 -6.269 1.00 1.00 O ATOM 0 H SER A 62 4.746 9.066 -4.745 1.00 1.00 H new ATOM 0 HA SER A 62 5.926 11.530 -3.591 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.252 11.537 -4.997 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.378 12.859 -4.763 1.00 1.00 H new ATOM 0 HG SER A 62 4.410 12.056 -6.952 1.00 1.00 H new ATOM 986 N ALA A 63 3.635 11.824 -2.155 1.00 1.00 N ATOM 987 CA ALA A 63 2.744 11.723 -1.006 1.00 1.00 C ATOM 988 C ALA A 63 1.295 11.558 -1.456 1.00 1.00 C ATOM 989 O ALA A 63 0.484 10.950 -0.758 1.00 1.00 O ATOM 990 CB ALA A 63 2.870 12.975 -0.136 1.00 1.00 C ATOM 0 H ALA A 63 3.836 12.778 -2.454 1.00 1.00 H new ATOM 0 HA ALA A 63 3.032 10.846 -0.427 1.00 1.00 H new ATOM 0 HB1 ALA A 63 2.201 12.892 0.720 1.00 1.00 H new ATOM 0 HB2 ALA A 63 3.898 13.073 0.214 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.601 13.854 -0.722 1.00 1.00 H new ATOM 996 N MET A 64 0.977 12.107 -2.624 1.00 1.00 N ATOM 997 CA MET A 64 -0.379 12.016 -3.153 1.00 1.00 C ATOM 998 C MET A 64 -0.627 10.647 -3.776 1.00 1.00 C ATOM 999 O MET A 64 -1.773 10.230 -3.944 1.00 1.00 O ATOM 1000 CB MET A 64 -0.603 13.105 -4.205 1.00 1.00 C ATOM 1001 CG MET A 64 0.439 12.966 -5.316 1.00 1.00 C ATOM 1002 SD MET A 64 0.280 14.353 -6.468 1.00 1.00 S ATOM 1003 CE MET A 64 -0.372 13.411 -7.870 1.00 1.00 C ATOM 0 H MET A 64 1.633 12.615 -3.217 1.00 1.00 H new ATOM 0 HA MET A 64 -1.077 12.156 -2.328 1.00 1.00 H new ATOM 0 HB2 MET A 64 -1.607 13.022 -4.621 1.00 1.00 H new ATOM 0 HB3 MET A 64 -0.530 14.090 -3.745 1.00 1.00 H new ATOM 0 HG2 MET A 64 1.442 12.947 -4.889 1.00 1.00 H new ATOM 0 HG3 MET A 64 0.300 12.023 -5.844 1.00 1.00 H new ATOM 0 HE1 MET A 64 -0.547 14.083 -8.710 1.00 1.00 H new ATOM 0 HE2 MET A 64 0.348 12.646 -8.161 1.00 1.00 H new ATOM 0 HE3 MET A 64 -1.310 12.936 -7.584 1.00 1.00 H new ATOM 1013 N ASP A 65 0.451 9.950 -4.119 1.00 1.00 N ATOM 1014 CA ASP A 65 0.333 8.628 -4.723 1.00 1.00 C ATOM 1015 C ASP A 65 -0.011 7.581 -3.668 1.00 1.00 C ATOM 1016 O ASP A 65 -0.341 6.442 -3.996 1.00 1.00 O ATOM 1017 CB ASP A 65 1.646 8.247 -5.410 1.00 1.00 C ATOM 1018 CG ASP A 65 1.609 8.666 -6.876 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.040 7.932 -7.667 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.154 9.713 -7.188 1.00 1.00 O ATOM 0 H ASP A 65 1.409 10.275 -3.990 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.469 8.660 -5.461 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.483 8.730 -4.906 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.807 7.172 -5.335 1.00 1.00 H new ATOM 1025 N ALA A 66 0.071 7.974 -2.401 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.233 7.057 -1.308 1.00 1.00 C ATOM 1027 C ALA A 66 -1.736 7.001 -1.055 1.00 1.00 C ATOM 1028 O ALA A 66 -2.340 5.929 -1.076 1.00 1.00 O ATOM 1029 CB ALA A 66 0.483 7.503 -0.031 1.00 1.00 C ATOM 0 H ALA A 66 0.343 8.912 -2.107 1.00 1.00 H new ATOM 0 HA ALA A 66 0.115 6.063 -1.590 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.249 6.811 0.778 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.560 7.511 -0.201 1.00 1.00 H new ATOM 0 HB3 ALA A 66 0.151 8.505 0.241 1.00 1.00 H new ATOM 1035 N SER A 67 -2.335 8.163 -0.816 1.00 1.00 N ATOM 1036 CA SER A 67 -3.768 8.231 -0.562 1.00 1.00 C ATOM 1037 C SER A 67 -4.546 7.680 -1.752 1.00 1.00 C ATOM 1038 O SER A 67 -5.561 7.004 -1.585 1.00 1.00 O ATOM 1039 CB SER A 67 -4.185 9.679 -0.302 1.00 1.00 C ATOM 1040 OG SER A 67 -3.067 10.532 -0.507 1.00 1.00 O ATOM 0 H SER A 67 -1.855 9.063 -0.793 1.00 1.00 H new ATOM 0 HA SER A 67 -3.993 7.627 0.317 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.000 9.961 -0.969 1.00 1.00 H new ATOM 0 HB3 SER A 67 -4.557 9.785 0.717 1.00 1.00 H new ATOM 0 HG SER A 67 -3.330 11.462 -0.343 1.00 1.00 H new ATOM 1046 N GLN A 68 -4.062 7.976 -2.952 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.712 7.512 -4.165 1.00 1.00 C ATOM 1048 C GLN A 68 -4.723 5.988 -4.224 1.00 1.00 C ATOM 1049 O GLN A 68 -5.786 5.370 -4.294 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.974 8.063 -5.389 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.928 8.901 -6.240 1.00 1.00 C ATOM 1052 CD GLN A 68 -4.263 9.264 -7.563 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -4.942 9.411 -8.581 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -2.968 9.416 -7.611 1.00 1.00 N ATOM 0 H GLN A 68 -3.223 8.534 -3.108 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.742 7.869 -4.162 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.128 8.671 -5.070 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.571 7.242 -5.981 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.847 8.345 -6.426 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -5.207 9.807 -5.703 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -2.409 9.294 -6.767 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -2.515 9.657 -8.493 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.539 5.388 -4.198 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.431 3.933 -4.254 1.00 1.00 C ATOM 1065 C LEU A 69 -4.323 3.293 -3.195 1.00 1.00 C ATOM 1066 O LEU A 69 -4.798 2.171 -3.363 1.00 1.00 O ATOM 1067 CB LEU A 69 -1.977 3.498 -4.034 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.651 2.294 -4.925 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.185 1.903 -4.734 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.543 1.110 -4.544 1.00 1.00 C ATOM 0 H LEU A 69 -2.647 5.880 -4.139 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.757 3.603 -5.240 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.303 4.324 -4.263 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.820 3.239 -2.987 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.829 2.560 -5.967 1.00 1.00 H new ATOM 0 HD11 LEU A 69 0.049 1.047 -5.367 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.454 2.742 -5.008 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.011 1.641 -3.690 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.307 0.257 -5.180 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.369 0.844 -3.501 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.589 1.385 -4.679 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.551 4.017 -2.107 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.394 3.505 -1.032 1.00 1.00 C ATOM 1084 C LEU A 70 -6.852 3.484 -1.472 1.00 1.00 C ATOM 1085 O LEU A 70 -7.594 2.554 -1.155 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.238 4.372 0.222 1.00 1.00 C ATOM 1087 CG LEU A 70 -5.730 3.600 1.450 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.532 3.057 2.232 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.535 4.540 2.350 1.00 1.00 C ATOM 0 H LEU A 70 -4.170 4.949 -1.945 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.081 2.487 -0.798 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.193 4.654 0.353 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -5.806 5.296 0.110 1.00 1.00 H new ATOM 0 HG LEU A 70 -6.358 2.770 1.127 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.886 2.508 3.105 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.953 2.389 1.594 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -3.902 3.886 2.555 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -6.887 3.993 3.225 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -5.902 5.368 2.670 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -7.390 4.929 1.797 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.258 4.514 -2.211 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.624 4.603 -2.694 1.00 1.00 C ATOM 1103 C GLN A 71 -8.807 3.755 -3.946 1.00 1.00 C ATOM 1104 O GLN A 71 -9.765 2.995 -4.055 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.959 6.054 -3.012 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.268 6.431 -2.332 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.078 6.482 -0.821 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -10.572 5.613 -0.101 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -9.389 7.456 -0.291 1.00 1.00 N ATOM 0 H GLN A 71 -6.659 5.293 -2.485 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.292 4.231 -1.918 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.157 6.708 -2.669 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -9.044 6.192 -4.090 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.610 7.400 -2.696 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -11.040 5.705 -2.585 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -8.980 8.175 -0.888 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -9.259 7.498 0.720 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.886 3.893 -4.890 1.00 1.00 N ATOM 1119 CA ILE A 72 -7.963 3.136 -6.131 1.00 1.00 C ATOM 1120 C ILE A 72 -8.203 1.657 -5.841 1.00 1.00 C ATOM 1121 O ILE A 72 -8.969 0.997 -6.543 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.671 3.303 -6.929 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.669 4.678 -7.603 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.585 2.211 -7.997 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.278 4.972 -8.167 1.00 1.00 C ATOM 0 H ILE A 72 -7.082 4.517 -4.821 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.798 3.519 -6.717 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.815 3.222 -6.260 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.409 4.703 -8.403 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -6.951 5.447 -6.884 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.663 2.330 -8.566 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.591 1.232 -7.518 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.439 2.291 -8.669 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.279 5.951 -8.646 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.548 4.965 -7.357 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.014 4.210 -8.900 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.546 1.142 -4.808 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.704 -0.264 -4.442 1.00 1.00 C ATOM 1139 C LEU A 73 -8.974 -0.469 -3.619 1.00 1.00 C ATOM 1140 O LEU A 73 -9.712 -1.430 -3.832 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.493 -0.743 -3.639 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.453 -2.275 -3.646 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.638 -2.763 -4.844 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.804 -2.780 -2.357 1.00 1.00 C ATOM 0 H LEU A 73 -6.905 1.668 -4.214 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.781 -0.845 -5.361 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.575 -0.342 -4.069 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.552 -0.374 -2.615 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.471 -2.658 -3.716 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.611 -3.853 -4.846 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.099 -2.409 -5.766 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.622 -2.375 -4.775 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.777 -3.870 -2.366 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.788 -2.393 -2.285 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.384 -2.438 -1.500 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.222 0.438 -2.678 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.409 0.334 -1.828 1.00 1.00 C ATOM 1158 C GLN A 74 -11.662 0.747 -2.597 1.00 1.00 C ATOM 1159 O GLN A 74 -12.782 0.526 -2.137 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.264 1.219 -0.585 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.188 0.641 0.338 1.00 1.00 C ATOM 1162 CD GLN A 74 -8.778 1.685 1.370 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -8.708 2.874 1.056 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.505 1.313 2.590 1.00 1.00 N ATOM 0 H GLN A 74 -8.627 1.244 -2.485 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.505 -0.707 -1.518 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.998 2.234 -0.879 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.216 1.279 -0.057 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.566 -0.250 0.839 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.321 0.334 -0.247 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.564 0.328 2.848 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.233 2.007 3.286 1.00 1.00 H new ATOM 1173 N SER A 75 -11.468 1.349 -3.767 1.00 1.00 N ATOM 1174 CA SER A 75 -12.590 1.789 -4.584 1.00 1.00 C ATOM 1175 C SER A 75 -13.314 0.591 -5.185 1.00 1.00 C ATOM 1176 O SER A 75 -14.511 0.655 -5.469 1.00 1.00 O ATOM 1177 CB SER A 75 -12.093 2.702 -5.705 1.00 1.00 C ATOM 1178 OG SER A 75 -13.069 2.750 -6.739 1.00 1.00 O ATOM 0 H SER A 75 -10.550 1.542 -4.167 1.00 1.00 H new ATOM 0 HA SER A 75 -13.285 2.339 -3.949 1.00 1.00 H new ATOM 0 HB2 SER A 75 -11.907 3.704 -5.318 1.00 1.00 H new ATOM 0 HB3 SER A 75 -11.147 2.331 -6.099 1.00 1.00 H new ATOM 0 HG SER A 75 -12.754 3.336 -7.459 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.582 -0.501 -5.371 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.171 -1.710 -5.936 1.00 1.00 C ATOM 1186 C LEU A 76 -14.071 -2.387 -4.907 1.00 1.00 C ATOM 1187 O LEU A 76 -13.719 -2.488 -3.731 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.075 -2.686 -6.378 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.156 -2.014 -7.407 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.788 -2.704 -7.406 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.769 -2.128 -8.809 1.00 1.00 C ATOM 0 H LEU A 76 -11.591 -0.575 -5.142 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.765 -1.427 -6.805 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.493 -3.008 -5.514 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.525 -3.580 -6.810 1.00 1.00 H new ATOM 0 HG LEU A 76 -11.041 -0.963 -7.142 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.138 -2.224 -8.138 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.341 -2.623 -6.415 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -9.911 -3.756 -7.664 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.111 -1.649 -9.534 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -11.890 -3.180 -9.069 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.742 -1.637 -8.822 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.234 -2.841 -5.356 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.182 -3.501 -4.464 1.00 1.00 C ATOM 1205 C HIS A 77 -15.512 -4.648 -3.701 1.00 1.00 C ATOM 1206 O HIS A 77 -15.465 -4.625 -2.472 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.389 -4.022 -5.251 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.567 -3.121 -5.005 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -19.307 -3.175 -3.832 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.144 -2.135 -5.767 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.278 -2.248 -3.923 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.225 -1.585 -5.081 1.00 1.00 N ATOM 0 H HIS A 77 -15.543 -2.766 -6.325 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.528 -2.765 -3.739 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.157 -4.055 -6.316 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.625 -5.041 -4.945 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -18.811 -1.832 -6.749 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -21.012 -2.063 -3.153 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -20.843 -0.837 -5.396 1.00 1.00 H new ATOM 1220 N PRO A 78 -14.992 -5.640 -4.388 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.316 -6.796 -3.724 1.00 1.00 C ATOM 1222 C PRO A 78 -12.974 -6.390 -3.094 1.00 1.00 C ATOM 1223 O PRO A 78 -12.043 -6.032 -3.815 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.085 -7.787 -4.868 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.047 -6.958 -6.105 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.985 -5.780 -5.858 1.00 1.00 C ATOM 0 HA PRO A 78 -14.913 -7.203 -2.908 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.152 -8.334 -4.732 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -14.884 -8.527 -4.915 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.034 -6.612 -6.311 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.368 -7.536 -6.971 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.626 -4.873 -6.345 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.984 -5.976 -6.246 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.839 -6.433 -1.781 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.560 -6.056 -1.109 1.00 1.00 C ATOM 1236 C PRO A 79 -10.352 -6.723 -1.765 1.00 1.00 C ATOM 1237 O PRO A 79 -10.492 -7.446 -2.750 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.738 -6.549 0.328 1.00 1.00 C ATOM 1239 CG PRO A 79 -13.211 -6.582 0.558 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.866 -6.835 -0.801 1.00 1.00 C ATOM 0 HA PRO A 79 -11.367 -4.985 -1.173 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.298 -7.537 0.461 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.245 -5.882 1.036 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.474 -7.368 1.266 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.557 -5.640 0.984 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -14.142 -7.883 -0.921 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.778 -6.250 -0.918 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.169 -6.481 -1.211 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.953 -7.071 -1.758 1.00 1.00 C ATOM 1250 C LEU A 80 -7.824 -8.522 -1.302 1.00 1.00 C ATOM 1251 O LEU A 80 -7.809 -8.806 -0.104 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.734 -6.261 -1.301 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.452 -6.826 -1.930 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.518 -6.703 -3.456 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.247 -6.037 -1.413 1.00 1.00 C ATOM 0 H LEU A 80 -9.026 -5.888 -0.394 1.00 1.00 H new ATOM 0 HA LEU A 80 -8.004 -7.051 -2.847 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.856 -5.216 -1.585 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.657 -6.289 -0.214 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.353 -7.877 -1.659 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.605 -7.106 -3.893 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.376 -7.262 -3.829 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.620 -5.654 -3.732 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.334 -6.435 -1.857 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.356 -4.987 -1.685 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.192 -6.127 -0.328 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.741 -9.434 -2.269 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.624 -10.858 -1.966 1.00 1.00 C ATOM 1269 C LYS A 81 -6.298 -11.412 -2.476 1.00 1.00 C ATOM 1270 O LYS A 81 -5.919 -11.196 -3.628 1.00 1.00 O ATOM 1271 CB LYS A 81 -8.790 -11.624 -2.610 1.00 1.00 C ATOM 1272 CG LYS A 81 -8.642 -13.140 -2.387 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.638 -13.456 -0.890 1.00 1.00 C ATOM 1274 CE LYS A 81 -9.334 -14.799 -0.659 1.00 1.00 C ATOM 1275 NZ LYS A 81 -9.273 -15.150 0.788 1.00 1.00 N ATOM 0 H LYS A 81 -7.753 -9.213 -3.265 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.658 -10.985 -0.884 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.734 -11.281 -2.186 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -8.824 -11.411 -3.678 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -9.461 -13.668 -2.875 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -7.717 -13.493 -2.843 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.615 -13.494 -0.517 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -9.150 -12.668 -0.338 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -10.372 -14.743 -0.987 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -8.853 -15.576 -1.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -10.018 -15.841 1.009 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -8.343 -15.562 1.006 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -9.415 -14.293 1.359 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.614 -12.144 -1.609 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.341 -12.757 -1.959 1.00 1.00 C ATOM 1291 C ILE A 82 -4.327 -14.190 -1.448 1.00 1.00 C ATOM 1292 O ILE A 82 -4.730 -14.445 -0.312 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.184 -11.968 -1.336 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.206 -10.530 -1.873 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -1.851 -12.629 -1.702 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.150 -9.689 -1.151 1.00 1.00 C ATOM 0 H ILE A 82 -5.921 -12.328 -0.654 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.219 -12.750 -3.042 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.294 -11.958 -0.252 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.013 -10.530 -2.946 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -4.194 -10.093 -1.727 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.031 -12.065 -1.257 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.836 -13.651 -1.324 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -1.737 -12.642 -2.786 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.171 -8.670 -1.537 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.363 -9.677 -0.082 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.163 -10.121 -1.320 1.00 1.00 H new ATOM 1308 N ASP A 83 -3.882 -15.121 -2.293 1.00 1.00 N ATOM 1309 CA ASP A 83 -3.837 -16.532 -1.916 1.00 1.00 C ATOM 1310 C ASP A 83 -3.514 -16.683 -0.433 1.00 1.00 C ATOM 1311 O ASP A 83 -2.367 -16.515 -0.016 1.00 1.00 O ATOM 1312 CB ASP A 83 -2.778 -17.260 -2.745 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.222 -17.340 -4.201 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -3.148 -16.328 -4.878 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -3.634 -18.411 -4.617 1.00 1.00 O ATOM 0 H ASP A 83 -3.550 -14.924 -3.237 1.00 1.00 H new ATOM 0 HA ASP A 83 -4.816 -16.970 -2.109 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -1.825 -16.735 -2.675 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -2.620 -18.263 -2.349 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.535 -16.997 0.358 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.347 -17.163 1.791 1.00 1.00 C ATOM 1322 C GLY A 84 -5.532 -16.622 2.587 1.00 1.00 C ATOM 1323 O GLY A 84 -6.055 -17.304 3.470 1.00 1.00 O ATOM 0 H GLY A 84 -5.491 -17.140 0.033 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.209 -18.220 2.019 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.437 -16.649 2.100 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.949 -15.394 2.285 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.067 -14.788 3.006 1.00 1.00 C ATOM 1329 C LYS A 85 -7.341 -13.372 2.503 1.00 1.00 C ATOM 1330 O LYS A 85 -6.712 -12.906 1.553 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.754 -14.748 4.504 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.256 -14.515 4.713 1.00 1.00 C ATOM 1333 CD LYS A 85 -5.036 -13.719 6.000 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.628 -13.990 6.534 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.534 -15.406 6.990 1.00 1.00 N ATOM 0 H LYS A 85 -5.538 -14.807 1.559 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.956 -15.394 2.830 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.326 -13.953 4.983 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.055 -15.685 4.973 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.734 -15.470 4.770 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.840 -13.974 3.863 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.165 -12.654 5.808 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.780 -14.000 6.746 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -2.889 -13.797 5.756 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.405 -13.315 7.360 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.872 -15.470 7.790 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -4.473 -15.737 7.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.191 -16.000 6.208 1.00 1.00 H new ATOM 1349 N THR A 86 -8.287 -12.694 3.151 1.00 1.00 N ATOM 1350 CA THR A 86 -8.644 -11.331 2.767 1.00 1.00 C ATOM 1351 C THR A 86 -7.562 -10.348 3.205 1.00 1.00 C ATOM 1352 O THR A 86 -6.965 -10.506 4.269 1.00 1.00 O ATOM 1353 CB THR A 86 -9.979 -10.942 3.404 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.361 -9.653 2.947 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.834 -10.924 4.926 1.00 1.00 C ATOM 0 H THR A 86 -8.817 -13.064 3.940 1.00 1.00 H new ATOM 0 HA THR A 86 -8.735 -11.292 1.681 1.00 1.00 H new ATOM 0 HB THR A 86 -10.742 -11.668 3.123 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.217 -9.403 3.353 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.786 -10.647 5.379 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.541 -11.914 5.275 1.00 1.00 H new ATOM 0 HG23 THR A 86 -9.072 -10.198 5.210 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.312 -9.340 2.372 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.294 -8.338 2.673 1.00 1.00 C ATOM 1365 C ILE A 87 -6.904 -6.938 2.729 1.00 1.00 C ATOM 1366 O ILE A 87 -7.752 -6.584 1.906 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.203 -8.383 1.605 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.532 -9.762 1.624 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -4.167 -7.289 1.875 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.356 -9.768 2.604 1.00 1.00 C ATOM 0 H ILE A 87 -7.799 -9.196 1.487 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.864 -8.563 3.649 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.645 -8.212 0.624 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.258 -10.523 1.912 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.182 -10.017 0.624 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.391 -7.326 1.110 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.653 -6.314 1.852 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.718 -7.447 2.855 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.890 -10.753 2.607 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.624 -9.021 2.298 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.716 -9.534 3.606 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.462 -6.149 3.710 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.966 -4.788 3.880 1.00 1.00 C ATOM 1384 C GLY A 88 -5.866 -3.758 3.630 1.00 1.00 C ATOM 1385 O GLY A 88 -4.696 -4.108 3.477 1.00 1.00 O ATOM 0 H GLY A 88 -5.760 -6.428 4.395 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.793 -4.615 3.192 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.360 -4.666 4.889 1.00 1.00 H new ATOM 1389 N VAL A 89 -6.257 -2.484 3.589 1.00 1.00 N ATOM 1390 CA VAL A 89 -5.309 -1.400 3.357 1.00 1.00 C ATOM 1391 C VAL A 89 -5.403 -0.362 4.472 1.00 1.00 C ATOM 1392 O VAL A 89 -6.498 -0.007 4.909 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.618 -0.730 2.020 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -4.337 -0.135 1.432 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -6.188 -1.763 1.048 1.00 1.00 C ATOM 0 H VAL A 89 -7.223 -2.180 3.714 1.00 1.00 H new ATOM 0 HA VAL A 89 -4.301 -1.814 3.341 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.348 0.064 2.178 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.562 0.342 0.478 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.930 0.605 2.121 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -3.605 -0.928 1.278 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -6.408 -1.283 0.094 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -5.459 -2.559 0.894 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -7.104 -2.185 1.461 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.252 0.124 4.926 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.221 1.127 5.987 1.00 1.00 C ATOM 1407 C ASP A 90 -3.188 2.205 5.674 1.00 1.00 C ATOM 1408 O ASP A 90 -2.296 2.003 4.852 1.00 1.00 O ATOM 1409 CB ASP A 90 -3.882 0.464 7.322 1.00 1.00 C ATOM 1410 CG ASP A 90 -3.677 -1.034 7.123 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -4.666 -1.750 7.102 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -2.535 -1.444 6.993 1.00 1.00 O ATOM 0 H ASP A 90 -3.335 -0.157 4.580 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.205 1.591 6.052 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -2.980 0.910 7.740 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.685 0.638 8.038 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.313 3.351 6.338 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.380 4.453 6.121 1.00 1.00 C ATOM 1419 C PHE A 91 -1.082 4.211 6.886 1.00 1.00 C ATOM 1420 O PHE A 91 -0.978 3.268 7.669 1.00 1.00 O ATOM 1421 CB PHE A 91 -3.006 5.771 6.583 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.673 6.455 5.412 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.900 6.915 4.339 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -5.062 6.629 5.401 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.518 7.550 3.254 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.679 7.263 4.315 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.906 7.722 3.242 1.00 1.00 C ATOM 0 H PHE A 91 -4.044 3.540 7.024 1.00 1.00 H new ATOM 0 HA PHE A 91 -2.159 4.511 5.055 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.736 5.582 7.370 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.240 6.420 7.008 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.828 6.780 4.348 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.658 6.275 6.229 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.923 7.907 2.427 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.751 7.398 4.306 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.382 8.209 2.404 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.096 5.072 6.653 1.00 1.00 N ATOM 1438 CA ALA A 92 1.192 4.944 7.324 1.00 1.00 C ATOM 1439 C ALA A 92 0.998 4.793 8.829 1.00 1.00 C ATOM 1440 O ALA A 92 0.291 5.580 9.456 1.00 1.00 O ATOM 1441 CB ALA A 92 2.054 6.175 7.040 1.00 1.00 C ATOM 0 H ALA A 92 -0.164 5.860 6.009 1.00 1.00 H new ATOM 0 HA ALA A 92 1.693 4.055 6.942 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.014 6.071 7.545 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.217 6.265 5.966 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.546 7.067 7.406 1.00 1.00 H new ATOM 1447 N LYS A 93 1.633 3.775 9.404 1.00 1.00 N ATOM 1448 CA LYS A 93 1.522 3.532 10.837 1.00 1.00 C ATOM 1449 C LYS A 93 2.113 4.695 11.625 1.00 1.00 C ATOM 1450 O LYS A 93 3.140 5.259 11.244 1.00 1.00 O ATOM 1451 CB LYS A 93 2.257 2.239 11.206 1.00 1.00 C ATOM 1452 CG LYS A 93 1.445 1.471 12.251 1.00 1.00 C ATOM 1453 CD LYS A 93 2.295 0.335 12.823 1.00 1.00 C ATOM 1454 CE LYS A 93 1.429 -0.915 12.992 1.00 1.00 C ATOM 1455 NZ LYS A 93 0.213 -0.574 13.783 1.00 1.00 N ATOM 0 H LYS A 93 2.224 3.111 8.904 1.00 1.00 H new ATOM 0 HA LYS A 93 0.466 3.436 11.089 1.00 1.00 H new ATOM 0 HB2 LYS A 93 2.401 1.624 10.318 1.00 1.00 H new ATOM 0 HB3 LYS A 93 3.248 2.470 11.598 1.00 1.00 H new ATOM 0 HG2 LYS A 93 1.132 2.143 13.050 1.00 1.00 H new ATOM 0 HG3 LYS A 93 0.538 1.069 11.799 1.00 1.00 H new ATOM 0 HD2 LYS A 93 3.133 0.123 12.158 1.00 1.00 H new ATOM 0 HD3 LYS A 93 2.717 0.631 13.783 1.00 1.00 H new ATOM 0 HE2 LYS A 93 1.143 -1.307 12.016 1.00 1.00 H new ATOM 0 HE3 LYS A 93 1.996 -1.698 13.496 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -0.116 -1.417 14.295 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 0.442 0.177 14.465 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -0.537 -0.244 13.142 1.00 1.00 H new ATOM 1469 N SER A 94 1.458 5.053 12.725 1.00 1.00 N ATOM 1470 CA SER A 94 1.928 6.153 13.558 1.00 1.00 C ATOM 1471 C SER A 94 2.993 5.667 14.536 1.00 1.00 C ATOM 1472 O SER A 94 2.676 5.205 15.632 1.00 1.00 O ATOM 1473 CB SER A 94 0.757 6.757 14.333 1.00 1.00 C ATOM 1474 OG SER A 94 0.388 5.877 15.387 1.00 1.00 O ATOM 0 H SER A 94 0.606 4.601 13.058 1.00 1.00 H new ATOM 0 HA SER A 94 2.366 6.913 12.911 1.00 1.00 H new ATOM 0 HB2 SER A 94 1.037 7.730 14.737 1.00 1.00 H new ATOM 0 HB3 SER A 94 -0.090 6.920 13.666 1.00 1.00 H new ATOM 0 HG SER A 94 1.145 5.764 15.999 1.00 1.00 H new ATOM 1480 N ALA A 95 4.253 5.773 14.132 1.00 1.00 N ATOM 1481 CA ALA A 95 5.356 5.340 14.981 1.00 1.00 C ATOM 1482 C ALA A 95 5.951 6.527 15.734 1.00 1.00 C ATOM 1483 O ALA A 95 6.064 6.438 16.945 1.00 1.00 O ATOM 1484 CB ALA A 95 6.441 4.678 14.131 1.00 1.00 C ATOM 1485 OXT ALA A 95 6.283 7.506 15.087 1.00 1.00 O ATOM 0 H ALA A 95 4.535 6.152 13.228 1.00 1.00 H new ATOM 0 HA ALA A 95 4.972 4.621 15.704 1.00 1.00 H new ATOM 0 HB1 ALA A 95 7.261 4.358 14.773 1.00 1.00 H new ATOM 0 HB2 ALA A 95 6.023 3.812 13.617 1.00 1.00 H new ATOM 0 HB3 ALA A 95 6.813 5.392 13.396 1.00 1.00 H new TER 1491 ALA A 95