USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 48 MET CE :methyl 178:sc= -5.99! (180deg=-6.01!) USER MOD Set 1.2: A 56 THR OG1 : rot -30:sc= 0.319 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -119:sc= -0.681 USER MOD Single : A 12 THR OG1 : rot -160:sc= -0.961 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -135:sc= -0.609 (180deg=-2.67) USER MOD Single : A 29 LYS NZ :NH3+ -130:sc= -1.31 (180deg=-1.56) USER MOD Single : A 34 ASN : amide:sc= -0.0518 K(o=-0.052,f=-1.6) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 49 GLN : amide:sc= -0.312 K(o=-0.31,f=-2.4!) USER MOD Single : A 52 SER OG : rot 144:sc= 1.51 USER MOD Single : A 55 ASN : amide:sc= -1.54! C(o=-1.5!,f=-2.1!) USER MOD Single : A 59 GLN : amide:sc= -4.58 K(o=-4.6,f=-7.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -2.26 K(o=-2.3,f=-3.3!) USER MOD Single : A 70 CYS SG : rot 20:sc= 0.0604 USER MOD Single : A 74 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -88:sc= 1.26 USER MOD Single : A 90 LYS NZ :NH3+ -118:sc= 0.087 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 5 -2.021 7.293 -1.677 1.00 0.00 N ATOM 41 CA MET A 5 -2.547 8.559 -2.174 1.00 0.00 C ATOM 42 C MET A 5 -3.777 8.331 -3.048 1.00 0.00 C ATOM 43 O MET A 5 -3.916 7.283 -3.679 1.00 0.00 O ATOM 44 CB MET A 5 -1.474 9.305 -2.969 1.00 0.00 C ATOM 45 CG MET A 5 -1.831 10.753 -3.261 1.00 0.00 C ATOM 46 SD MET A 5 -0.416 11.716 -3.829 1.00 0.00 S ATOM 47 CE MET A 5 -0.363 11.251 -5.558 1.00 0.00 C ATOM 0 HA MET A 5 -2.839 9.164 -1.316 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.536 9.275 -2.414 1.00 0.00 H new ATOM 0 HB3 MET A 5 -1.304 8.784 -3.911 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.614 10.784 -4.018 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.240 11.211 -2.360 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.463 11.766 -6.048 1.00 0.00 H new ATOM 0 HE2 MET A 5 -0.219 10.174 -5.641 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.301 11.529 -6.039 1.00 0.00 H new ATOM 57 N VAL A 6 -4.666 9.319 -3.080 1.00 0.00 N ATOM 58 CA VAL A 6 -5.883 9.226 -3.877 1.00 0.00 C ATOM 59 C VAL A 6 -6.181 10.545 -4.580 1.00 0.00 C ATOM 60 O VAL A 6 -5.997 11.620 -4.009 1.00 0.00 O ATOM 61 CB VAL A 6 -7.094 8.834 -3.010 1.00 0.00 C ATOM 62 CG1 VAL A 6 -6.883 7.461 -2.389 1.00 0.00 C ATOM 63 CG2 VAL A 6 -7.341 9.882 -1.936 1.00 0.00 C ATOM 0 H VAL A 6 -4.566 10.193 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.714 8.450 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.976 8.786 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.748 7.200 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.758 6.720 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.991 7.478 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.200 9.589 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.461 9.964 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.539 10.845 -2.406 1.00 0.00 H new ATOM 73 N ASP A 7 -6.644 10.456 -5.822 1.00 0.00 N ATOM 74 CA ASP A 7 -6.971 11.643 -6.604 1.00 0.00 C ATOM 75 C ASP A 7 -8.137 12.402 -5.978 1.00 0.00 C ATOM 76 O ASP A 7 -9.133 11.804 -5.571 1.00 0.00 O ATOM 77 CB ASP A 7 -7.312 11.254 -8.043 1.00 0.00 C ATOM 78 CG ASP A 7 -6.129 10.654 -8.777 1.00 0.00 C ATOM 79 OD1 ASP A 7 -5.752 9.507 -8.456 1.00 0.00 O ATOM 80 OD2 ASP A 7 -5.582 11.330 -9.672 1.00 0.00 O ATOM 0 H ASP A 7 -6.801 9.574 -6.309 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.098 12.296 -6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.134 10.538 -8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.661 12.135 -8.581 1.00 0.00 H new ATOM 85 N VAL A 8 -8.005 13.723 -5.904 1.00 0.00 N ATOM 86 CA VAL A 8 -9.048 14.563 -5.327 1.00 0.00 C ATOM 87 C VAL A 8 -9.624 15.516 -6.369 1.00 0.00 C ATOM 88 O VAL A 8 -8.887 16.109 -7.157 1.00 0.00 O ATOM 89 CB VAL A 8 -8.514 15.384 -4.138 1.00 0.00 C ATOM 90 CG1 VAL A 8 -9.631 16.203 -3.510 1.00 0.00 C ATOM 91 CG2 VAL A 8 -7.868 14.469 -3.108 1.00 0.00 C ATOM 0 H VAL A 8 -7.187 14.234 -6.236 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.834 13.895 -4.974 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.754 16.073 -4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.235 16.776 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.044 16.885 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.416 15.535 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.496 15.065 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.606 13.755 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.039 13.931 -3.568 1.00 0.00 H new ATOM 101 N ILE A 9 -10.945 15.657 -6.367 1.00 0.00 N ATOM 102 CA ILE A 9 -11.620 16.538 -7.311 1.00 0.00 C ATOM 103 C ILE A 9 -12.612 17.452 -6.598 1.00 0.00 C ATOM 104 O ILE A 9 -13.380 17.005 -5.746 1.00 0.00 O ATOM 105 CB ILE A 9 -12.366 15.737 -8.395 1.00 0.00 C ATOM 106 CG1 ILE A 9 -11.454 14.655 -8.978 1.00 0.00 C ATOM 107 CG2 ILE A 9 -12.862 16.666 -9.493 1.00 0.00 C ATOM 108 CD1 ILE A 9 -12.136 13.781 -10.008 1.00 0.00 C ATOM 0 H ILE A 9 -11.569 15.172 -5.722 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.847 17.143 -7.785 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.229 15.252 -7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.586 15.130 -9.434 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.085 14.027 -8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.387 16.085 -10.251 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.541 17.404 -9.066 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.013 17.176 -9.949 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.431 13.037 -10.378 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.988 13.278 -9.551 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.481 14.398 -10.838 1.00 0.00 H new ATOM 120 N ILE A 10 -12.589 18.732 -6.954 1.00 0.00 N ATOM 121 CA ILE A 10 -13.488 19.707 -6.350 1.00 0.00 C ATOM 122 C ILE A 10 -14.375 20.363 -7.403 1.00 0.00 C ATOM 123 O ILE A 10 -13.912 20.714 -8.489 1.00 0.00 O ATOM 124 CB ILE A 10 -12.708 20.802 -5.598 1.00 0.00 C ATOM 125 CG1 ILE A 10 -13.654 21.615 -4.712 1.00 0.00 C ATOM 126 CG2 ILE A 10 -11.985 21.708 -6.583 1.00 0.00 C ATOM 127 CD1 ILE A 10 -14.200 22.853 -5.388 1.00 0.00 C ATOM 0 H ILE A 10 -11.958 19.117 -7.657 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.112 19.164 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 10 -11.964 20.325 -4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.486 20.981 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.126 21.909 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.438 22.477 -6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.286 21.117 -7.175 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.712 22.180 -7.244 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.863 23.380 -4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.375 23.507 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.756 22.565 -6.280 1.00 0.00 H new ATOM 139 N TYR A 11 -15.652 20.528 -7.075 1.00 0.00 N ATOM 140 CA TYR A 11 -16.604 21.141 -7.992 1.00 0.00 C ATOM 141 C TYR A 11 -17.110 22.472 -7.443 1.00 0.00 C ATOM 142 O TYR A 11 -17.752 22.521 -6.393 1.00 0.00 O ATOM 143 CB TYR A 11 -17.783 20.199 -8.242 1.00 0.00 C ATOM 144 CG TYR A 11 -17.771 19.566 -9.616 1.00 0.00 C ATOM 145 CD1 TYR A 11 -16.610 19.008 -10.135 1.00 0.00 C ATOM 146 CD2 TYR A 11 -18.922 19.526 -10.393 1.00 0.00 C ATOM 147 CE1 TYR A 11 -16.595 18.430 -11.390 1.00 0.00 C ATOM 148 CE2 TYR A 11 -18.917 18.949 -11.648 1.00 0.00 C ATOM 149 CZ TYR A 11 -17.751 18.402 -12.142 1.00 0.00 C ATOM 150 OH TYR A 11 -17.740 17.826 -13.392 1.00 0.00 O ATOM 0 H TYR A 11 -16.051 20.245 -6.180 1.00 0.00 H new ATOM 0 HA TYR A 11 -16.091 21.329 -8.935 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -17.774 19.412 -7.488 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.713 20.753 -8.114 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -15.704 19.026 -9.548 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -19.837 19.953 -10.009 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.683 18.002 -11.780 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -19.821 18.926 -12.239 1.00 0.00 H new ATOM 0 HH TYR A 11 -17.978 18.498 -14.064 1.00 0.00 H new ATOM 160 N THR A 12 -16.816 23.551 -8.161 1.00 0.00 N ATOM 161 CA THR A 12 -17.240 24.883 -7.748 1.00 0.00 C ATOM 162 C THR A 12 -17.598 25.745 -8.953 1.00 0.00 C ATOM 163 O THR A 12 -17.086 25.534 -10.053 1.00 0.00 O ATOM 164 CB THR A 12 -16.143 25.593 -6.931 1.00 0.00 C ATOM 165 OG1 THR A 12 -16.463 26.981 -6.784 1.00 0.00 O ATOM 166 CG2 THR A 12 -14.787 25.448 -7.605 1.00 0.00 C ATOM 0 H THR A 12 -16.286 23.529 -9.032 1.00 0.00 H new ATOM 0 HA THR A 12 -18.123 24.754 -7.122 1.00 0.00 H new ATOM 0 HB THR A 12 -16.093 25.126 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 12 -15.651 27.482 -6.558 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.029 25.957 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.533 24.391 -7.689 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.826 25.892 -8.600 1.00 0.00 H new ATOM 174 N ARG A 13 -18.478 26.717 -8.738 1.00 0.00 N ATOM 175 CA ARG A 13 -18.905 27.611 -9.808 1.00 0.00 C ATOM 176 C ARG A 13 -18.302 29.001 -9.628 1.00 0.00 C ATOM 177 O ARG A 13 -17.858 29.376 -8.543 1.00 0.00 O ATOM 178 CB ARG A 13 -20.431 27.707 -9.843 1.00 0.00 C ATOM 179 CG ARG A 13 -20.984 28.902 -9.085 1.00 0.00 C ATOM 180 CD ARG A 13 -22.395 28.639 -8.582 1.00 0.00 C ATOM 181 NE ARG A 13 -23.408 29.108 -9.523 1.00 0.00 N ATOM 182 CZ ARG A 13 -24.668 29.357 -9.183 1.00 0.00 C ATOM 183 NH1 ARG A 13 -25.067 29.182 -7.930 1.00 0.00 N ATOM 184 NH2 ARG A 13 -25.532 29.781 -10.096 1.00 0.00 N ATOM 0 H ARG A 13 -18.909 26.906 -7.833 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.552 27.200 -10.753 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -20.759 27.762 -10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.854 26.794 -9.423 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -20.333 29.132 -8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -20.985 29.777 -9.735 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -22.526 27.570 -8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -22.536 29.135 -7.621 1.00 0.00 H new ATOM 0 HE ARG A 13 -23.133 29.252 -10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.406 28.856 -7.225 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -26.035 29.374 -7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -25.229 29.916 -11.061 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -26.499 29.972 -9.833 1.00 0.00 H new ATOM 198 N PRO A 14 -18.284 29.784 -10.717 1.00 0.00 N ATOM 199 CA PRO A 14 -17.738 31.145 -10.704 1.00 0.00 C ATOM 200 C PRO A 14 -18.605 32.110 -9.904 1.00 0.00 C ATOM 201 O PRO A 14 -19.727 32.424 -10.297 1.00 0.00 O ATOM 202 CB PRO A 14 -17.728 31.536 -12.184 1.00 0.00 C ATOM 203 CG PRO A 14 -18.793 30.699 -12.805 1.00 0.00 C ATOM 204 CD PRO A 14 -18.796 29.402 -12.043 1.00 0.00 C ATOM 0 HA PRO A 14 -16.757 31.186 -10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -17.934 32.599 -12.314 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.756 31.341 -12.638 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.763 31.191 -12.741 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.590 30.530 -13.863 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -19.797 28.976 -11.980 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.161 28.655 -12.519 1.00 0.00 H new ATOM 212 N GLY A 15 -18.076 32.579 -8.777 1.00 0.00 N ATOM 213 CA GLY A 15 -18.816 33.505 -7.939 1.00 0.00 C ATOM 214 C GLY A 15 -19.320 32.857 -6.665 1.00 0.00 C ATOM 215 O GLY A 15 -20.202 33.394 -5.994 1.00 0.00 O ATOM 0 H GLY A 15 -17.149 32.334 -8.430 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.177 34.351 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.662 33.902 -8.500 1.00 0.00 H new ATOM 219 N CYS A 16 -18.762 31.698 -6.331 1.00 0.00 N ATOM 220 CA CYS A 16 -19.162 30.975 -5.130 1.00 0.00 C ATOM 221 C CYS A 16 -18.208 31.268 -3.975 1.00 0.00 C ATOM 222 O CYS A 16 -17.040 30.878 -3.987 1.00 0.00 O ATOM 223 CB CYS A 16 -19.199 29.470 -5.405 1.00 0.00 C ATOM 224 SG CYS A 16 -19.888 28.482 -4.039 1.00 0.00 S ATOM 0 H CYS A 16 -18.031 31.240 -6.875 1.00 0.00 H new ATOM 0 HA CYS A 16 -20.160 31.312 -4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.789 29.290 -6.303 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.187 29.125 -5.614 1.00 0.00 H new ATOM 229 N PRO A 17 -18.716 31.972 -2.953 1.00 0.00 N ATOM 230 CA PRO A 17 -17.928 32.333 -1.771 1.00 0.00 C ATOM 231 C PRO A 17 -17.598 31.124 -0.903 1.00 0.00 C ATOM 232 O PRO A 17 -16.440 30.897 -0.551 1.00 0.00 O ATOM 233 CB PRO A 17 -18.843 33.300 -1.016 1.00 0.00 C ATOM 234 CG PRO A 17 -20.221 32.931 -1.446 1.00 0.00 C ATOM 235 CD PRO A 17 -20.100 32.469 -2.872 1.00 0.00 C ATOM 0 HA PRO A 17 -16.962 32.761 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.724 33.197 0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -18.615 34.336 -1.264 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.629 32.143 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.896 33.784 -1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -20.822 31.686 -3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.276 33.283 -3.575 1.00 0.00 H new ATOM 243 N TYR A 18 -18.622 30.350 -0.561 1.00 0.00 N ATOM 244 CA TYR A 18 -18.441 29.165 0.269 1.00 0.00 C ATOM 245 C TYR A 18 -17.486 28.177 -0.395 1.00 0.00 C ATOM 246 O TYR A 18 -16.816 27.393 0.280 1.00 0.00 O ATOM 247 CB TYR A 18 -19.788 28.490 0.532 1.00 0.00 C ATOM 248 CG TYR A 18 -20.851 29.438 1.038 1.00 0.00 C ATOM 249 CD1 TYR A 18 -20.641 30.205 2.178 1.00 0.00 C ATOM 250 CD2 TYR A 18 -22.066 29.568 0.377 1.00 0.00 C ATOM 251 CE1 TYR A 18 -21.610 31.072 2.644 1.00 0.00 C ATOM 252 CE2 TYR A 18 -23.040 30.434 0.835 1.00 0.00 C ATOM 253 CZ TYR A 18 -22.808 31.183 1.969 1.00 0.00 C ATOM 254 OH TYR A 18 -23.776 32.046 2.429 1.00 0.00 O ATOM 0 H TYR A 18 -19.586 30.522 -0.846 1.00 0.00 H new ATOM 0 HA TYR A 18 -18.008 29.480 1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -20.137 28.024 -0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -19.649 27.691 1.260 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -19.704 30.122 2.709 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -22.252 28.982 -0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -21.431 31.660 3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -23.978 30.524 0.308 1.00 0.00 H new ATOM 0 HH TYR A 18 -24.558 32.005 1.839 1.00 0.00 H new ATOM 264 N CYS A 19 -17.428 28.220 -1.721 1.00 0.00 N ATOM 265 CA CYS A 19 -16.555 27.331 -2.479 1.00 0.00 C ATOM 266 C CYS A 19 -15.093 27.735 -2.317 1.00 0.00 C ATOM 267 O CYS A 19 -14.226 26.892 -2.092 1.00 0.00 O ATOM 268 CB CYS A 19 -16.940 27.344 -3.959 1.00 0.00 C ATOM 269 SG CYS A 19 -18.636 26.771 -4.293 1.00 0.00 S ATOM 0 H CYS A 19 -17.976 28.862 -2.294 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.679 26.321 -2.088 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.829 28.358 -4.343 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.241 26.716 -4.511 1.00 0.00 H new ATOM 274 N ALA A 20 -14.828 29.032 -2.434 1.00 0.00 N ATOM 275 CA ALA A 20 -13.472 29.550 -2.299 1.00 0.00 C ATOM 276 C ALA A 20 -12.821 29.054 -1.012 1.00 0.00 C ATOM 277 O ALA A 20 -11.640 28.705 -0.997 1.00 0.00 O ATOM 278 CB ALA A 20 -13.481 31.071 -2.336 1.00 0.00 C ATOM 0 H ALA A 20 -15.534 29.743 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.883 29.181 -3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.462 31.443 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.898 31.409 -3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.090 31.451 -1.516 1.00 0.00 H new ATOM 284 N ARG A 21 -13.597 29.028 0.066 1.00 0.00 N ATOM 285 CA ARG A 21 -13.095 28.577 1.358 1.00 0.00 C ATOM 286 C ARG A 21 -12.699 27.104 1.304 1.00 0.00 C ATOM 287 O ARG A 21 -11.680 26.704 1.867 1.00 0.00 O ATOM 288 CB ARG A 21 -14.151 28.792 2.443 1.00 0.00 C ATOM 289 CG ARG A 21 -13.895 30.015 3.309 1.00 0.00 C ATOM 290 CD ARG A 21 -14.092 31.304 2.525 1.00 0.00 C ATOM 291 NE ARG A 21 -15.502 31.572 2.257 1.00 0.00 N ATOM 292 CZ ARG A 21 -16.338 32.075 3.158 1.00 0.00 C ATOM 293 NH1 ARG A 21 -15.908 32.364 4.379 1.00 0.00 N ATOM 294 NH2 ARG A 21 -17.608 32.291 2.839 1.00 0.00 N ATOM 0 H ARG A 21 -14.576 29.314 0.070 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.210 29.165 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.129 28.889 1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.190 27.908 3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.568 30.003 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.879 29.978 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.665 32.137 3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.549 31.241 1.582 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.865 31.361 1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.933 32.200 4.628 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.553 32.750 5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.943 32.071 1.901 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.249 32.677 3.532 1.00 0.00 H new ATOM 308 N ALA A 22 -13.512 26.303 0.623 1.00 0.00 N ATOM 309 CA ALA A 22 -13.246 24.876 0.494 1.00 0.00 C ATOM 310 C ALA A 22 -11.936 24.626 -0.246 1.00 0.00 C ATOM 311 O ALA A 22 -11.088 23.861 0.213 1.00 0.00 O ATOM 312 CB ALA A 22 -14.398 24.187 -0.222 1.00 0.00 C ATOM 0 H ALA A 22 -14.360 26.618 0.152 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.153 24.457 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.186 23.122 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.317 24.327 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.518 24.618 -1.216 1.00 0.00 H new ATOM 318 N LYS A 23 -11.777 25.276 -1.394 1.00 0.00 N ATOM 319 CA LYS A 23 -10.570 25.126 -2.198 1.00 0.00 C ATOM 320 C LYS A 23 -9.335 25.552 -1.411 1.00 0.00 C ATOM 321 O LYS A 23 -8.356 24.811 -1.325 1.00 0.00 O ATOM 322 CB LYS A 23 -10.681 25.953 -3.481 1.00 0.00 C ATOM 323 CG LYS A 23 -11.905 25.620 -4.315 1.00 0.00 C ATOM 324 CD LYS A 23 -11.593 25.654 -5.802 1.00 0.00 C ATOM 325 CE LYS A 23 -11.114 27.030 -6.240 1.00 0.00 C ATOM 326 NZ LYS A 23 -11.882 27.538 -7.409 1.00 0.00 N ATOM 0 H LYS A 23 -12.470 25.912 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.467 24.073 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.706 27.011 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.787 25.795 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.274 24.631 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.702 26.330 -4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.829 24.911 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.483 25.380 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.211 27.730 -5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.055 26.982 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.225 27.941 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.411 26.755 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.547 28.273 -7.095 1.00 0.00 H new ATOM 340 N ALA A 24 -9.389 26.749 -0.836 1.00 0.00 N ATOM 341 CA ALA A 24 -8.276 27.272 -0.053 1.00 0.00 C ATOM 342 C ALA A 24 -7.928 26.335 1.098 1.00 0.00 C ATOM 343 O ALA A 24 -6.754 26.125 1.408 1.00 0.00 O ATOM 344 CB ALA A 24 -8.608 28.660 0.475 1.00 0.00 C ATOM 0 H ALA A 24 -10.192 27.375 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.406 27.343 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.768 29.038 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.800 29.331 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.494 28.606 1.108 1.00 0.00 H new ATOM 350 N LEU A 25 -8.953 25.774 1.729 1.00 0.00 N ATOM 351 CA LEU A 25 -8.756 24.859 2.848 1.00 0.00 C ATOM 352 C LEU A 25 -7.976 23.624 2.410 1.00 0.00 C ATOM 353 O LEU A 25 -6.912 23.323 2.953 1.00 0.00 O ATOM 354 CB LEU A 25 -10.105 24.442 3.436 1.00 0.00 C ATOM 355 CG LEU A 25 -10.074 23.888 4.861 1.00 0.00 C ATOM 356 CD1 LEU A 25 -9.378 22.536 4.893 1.00 0.00 C ATOM 357 CD2 LEU A 25 -9.383 24.867 5.799 1.00 0.00 C ATOM 0 H LEU A 25 -9.930 25.937 1.485 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.179 25.379 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.769 25.306 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.545 23.688 2.784 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.101 23.754 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.365 22.157 5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.914 21.835 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.355 22.645 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.370 24.456 6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.360 25.033 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.923 25.814 5.799 1.00 0.00 H new ATOM 369 N LEU A 26 -8.510 22.912 1.423 1.00 0.00 N ATOM 370 CA LEU A 26 -7.863 21.710 0.909 1.00 0.00 C ATOM 371 C LEU A 26 -6.417 21.995 0.517 1.00 0.00 C ATOM 372 O LEU A 26 -5.517 21.209 0.811 1.00 0.00 O ATOM 373 CB LEU A 26 -8.633 21.168 -0.296 1.00 0.00 C ATOM 374 CG LEU A 26 -9.668 20.082 0.002 1.00 0.00 C ATOM 375 CD1 LEU A 26 -10.391 19.671 -1.271 1.00 0.00 C ATOM 376 CD2 LEU A 26 -9.005 18.878 0.653 1.00 0.00 C ATOM 0 H LEU A 26 -9.390 23.147 0.963 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.864 20.960 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.140 22.001 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.914 20.770 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.402 20.488 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.124 18.898 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.899 20.536 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.669 19.284 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.756 18.115 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.249 18.471 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.534 19.183 1.587 1.00 0.00 H new ATOM 388 N ALA A 27 -6.201 23.126 -0.147 1.00 0.00 N ATOM 389 CA ALA A 27 -4.864 23.517 -0.576 1.00 0.00 C ATOM 390 C ALA A 27 -3.996 23.903 0.616 1.00 0.00 C ATOM 391 O ALA A 27 -2.774 23.761 0.578 1.00 0.00 O ATOM 392 CB ALA A 27 -4.944 24.668 -1.569 1.00 0.00 C ATOM 0 H ALA A 27 -6.935 23.788 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.401 22.660 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.938 24.950 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.521 24.357 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.430 25.522 -1.098 1.00 0.00 H new ATOM 398 N ARG A 28 -4.636 24.394 1.673 1.00 0.00 N ATOM 399 CA ARG A 28 -3.921 24.803 2.876 1.00 0.00 C ATOM 400 C ARG A 28 -3.255 23.604 3.547 1.00 0.00 C ATOM 401 O ARG A 28 -2.098 23.676 3.963 1.00 0.00 O ATOM 402 CB ARG A 28 -4.878 25.483 3.857 1.00 0.00 C ATOM 403 CG ARG A 28 -4.173 26.206 4.993 1.00 0.00 C ATOM 404 CD ARG A 28 -5.164 26.920 5.899 1.00 0.00 C ATOM 405 NE ARG A 28 -4.500 27.843 6.816 1.00 0.00 N ATOM 406 CZ ARG A 28 -5.145 28.567 7.724 1.00 0.00 C ATOM 407 NH1 ARG A 28 -6.463 28.476 7.836 1.00 0.00 N ATOM 408 NH2 ARG A 28 -4.471 29.385 8.522 1.00 0.00 N ATOM 0 H ARG A 28 -5.647 24.518 1.720 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.146 25.512 2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.497 26.196 3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.549 24.733 4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.594 25.491 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.467 26.928 4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.882 27.468 5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.728 26.183 6.471 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.486 27.937 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.985 27.849 7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.955 29.033 8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.457 29.458 8.438 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.967 29.941 9.219 1.00 0.00 H new ATOM 422 N LYS A 29 -3.992 22.504 3.648 1.00 0.00 N ATOM 423 CA LYS A 29 -3.475 21.289 4.266 1.00 0.00 C ATOM 424 C LYS A 29 -2.316 20.717 3.455 1.00 0.00 C ATOM 425 O LYS A 29 -1.548 19.892 3.948 1.00 0.00 O ATOM 426 CB LYS A 29 -4.586 20.245 4.396 1.00 0.00 C ATOM 427 CG LYS A 29 -5.886 20.805 4.946 1.00 0.00 C ATOM 428 CD LYS A 29 -6.937 19.720 5.107 1.00 0.00 C ATOM 429 CE LYS A 29 -7.252 19.047 3.780 1.00 0.00 C ATOM 430 NZ LYS A 29 -6.507 17.769 3.615 1.00 0.00 N ATOM 0 H LYS A 29 -4.951 22.429 3.309 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.108 21.545 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.775 19.805 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.243 19.441 5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.700 21.279 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.261 21.580 4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.585 18.974 5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.847 20.153 5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.323 18.854 3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.001 19.722 2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.034 17.760 2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.795 17.682 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.171 16.970 3.672 1.00 0.00 H new ATOM 444 N GLY A 30 -2.196 21.162 2.208 1.00 0.00 N ATOM 445 CA GLY A 30 -1.128 20.684 1.349 1.00 0.00 C ATOM 446 C GLY A 30 -1.580 19.565 0.431 1.00 0.00 C ATOM 447 O GLY A 30 -0.759 18.805 -0.082 1.00 0.00 O ATOM 0 H GLY A 30 -2.819 21.845 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.750 21.512 0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.300 20.333 1.965 1.00 0.00 H new ATOM 451 N ALA A 31 -2.888 19.464 0.223 1.00 0.00 N ATOM 452 CA ALA A 31 -3.447 18.431 -0.640 1.00 0.00 C ATOM 453 C ALA A 31 -3.908 19.017 -1.970 1.00 0.00 C ATOM 454 O ALA A 31 -4.831 19.830 -2.014 1.00 0.00 O ATOM 455 CB ALA A 31 -4.602 17.728 0.058 1.00 0.00 C ATOM 0 H ALA A 31 -3.581 20.085 0.640 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.664 17.702 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.010 16.959 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.244 17.267 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.380 18.454 0.294 1.00 0.00 H new ATOM 461 N GLU A 32 -3.259 18.599 -3.052 1.00 0.00 N ATOM 462 CA GLU A 32 -3.602 19.085 -4.384 1.00 0.00 C ATOM 463 C GLU A 32 -4.949 18.527 -4.836 1.00 0.00 C ATOM 464 O GLU A 32 -5.302 17.392 -4.516 1.00 0.00 O ATOM 465 CB GLU A 32 -2.515 18.698 -5.388 1.00 0.00 C ATOM 466 CG GLU A 32 -1.400 19.724 -5.503 1.00 0.00 C ATOM 467 CD GLU A 32 -0.322 19.306 -6.484 1.00 0.00 C ATOM 468 OE1 GLU A 32 -0.529 19.482 -7.703 1.00 0.00 O ATOM 469 OE2 GLU A 32 0.729 18.804 -6.033 1.00 0.00 O ATOM 0 H GLU A 32 -2.493 17.925 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.674 20.172 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.087 17.739 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.971 18.558 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.821 20.679 -5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.952 19.880 -4.522 1.00 0.00 H new ATOM 476 N PHE A 33 -5.697 19.335 -5.580 1.00 0.00 N ATOM 477 CA PHE A 33 -7.006 18.924 -6.075 1.00 0.00 C ATOM 478 C PHE A 33 -7.294 19.551 -7.436 1.00 0.00 C ATOM 479 O PHE A 33 -6.732 20.588 -7.785 1.00 0.00 O ATOM 480 CB PHE A 33 -8.098 19.317 -5.078 1.00 0.00 C ATOM 481 CG PHE A 33 -8.126 20.786 -4.768 1.00 0.00 C ATOM 482 CD1 PHE A 33 -8.737 21.679 -5.634 1.00 0.00 C ATOM 483 CD2 PHE A 33 -7.542 21.275 -3.611 1.00 0.00 C ATOM 484 CE1 PHE A 33 -8.764 23.032 -5.352 1.00 0.00 C ATOM 485 CE2 PHE A 33 -7.567 22.626 -3.323 1.00 0.00 C ATOM 486 CZ PHE A 33 -8.178 23.506 -4.195 1.00 0.00 C ATOM 0 H PHE A 33 -5.419 20.278 -5.853 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.000 17.840 -6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.068 19.020 -5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.951 18.761 -4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.198 21.313 -6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.061 20.592 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.243 23.717 -6.036 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.109 22.994 -2.417 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.197 24.563 -3.972 1.00 0.00 H new ATOM 496 N ASN A 34 -8.173 18.912 -8.201 1.00 0.00 N ATOM 497 CA ASN A 34 -8.536 19.405 -9.525 1.00 0.00 C ATOM 498 C ASN A 34 -9.762 20.310 -9.451 1.00 0.00 C ATOM 499 O ASN A 34 -10.832 19.887 -9.014 1.00 0.00 O ATOM 500 CB ASN A 34 -8.808 18.234 -10.471 1.00 0.00 C ATOM 501 CG ASN A 34 -8.826 18.660 -11.927 1.00 0.00 C ATOM 502 OD1 ASN A 34 -8.490 19.798 -12.257 1.00 0.00 O ATOM 503 ND2 ASN A 34 -9.218 17.745 -12.806 1.00 0.00 N ATOM 0 H ASN A 34 -8.647 18.052 -7.927 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.699 19.988 -9.911 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.044 17.470 -10.328 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.765 17.779 -10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.249 17.973 -13.800 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.488 16.814 -12.487 1.00 0.00 H new ATOM 510 N GLU A 35 -9.598 21.557 -9.881 1.00 0.00 N ATOM 511 CA GLU A 35 -10.692 22.521 -9.863 1.00 0.00 C ATOM 512 C GLU A 35 -11.540 22.405 -11.127 1.00 0.00 C ATOM 513 O GLU A 35 -11.069 22.681 -12.230 1.00 0.00 O ATOM 514 CB GLU A 35 -10.145 23.944 -9.732 1.00 0.00 C ATOM 515 CG GLU A 35 -11.227 25.003 -9.611 1.00 0.00 C ATOM 516 CD GLU A 35 -10.847 26.306 -10.287 1.00 0.00 C ATOM 517 OE1 GLU A 35 -9.638 26.528 -10.508 1.00 0.00 O ATOM 518 OE2 GLU A 35 -11.757 27.103 -10.596 1.00 0.00 O ATOM 0 H GLU A 35 -8.719 21.923 -10.246 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.322 22.301 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.498 23.996 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.525 24.167 -10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.150 24.626 -10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.430 25.191 -8.557 1.00 0.00 H new ATOM 525 N ILE A 36 -12.792 21.994 -10.956 1.00 0.00 N ATOM 526 CA ILE A 36 -13.706 21.842 -12.081 1.00 0.00 C ATOM 527 C ILE A 36 -15.030 22.550 -11.813 1.00 0.00 C ATOM 528 O ILE A 36 -15.466 22.659 -10.667 1.00 0.00 O ATOM 529 CB ILE A 36 -13.982 20.358 -12.386 1.00 0.00 C ATOM 530 CG1 ILE A 36 -12.666 19.598 -12.560 1.00 0.00 C ATOM 531 CG2 ILE A 36 -14.845 20.225 -13.632 1.00 0.00 C ATOM 532 CD1 ILE A 36 -12.844 18.100 -12.677 1.00 0.00 C ATOM 0 H ILE A 36 -13.196 21.760 -10.049 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.222 22.297 -12.945 1.00 0.00 H new ATOM 0 HB ILE A 36 -14.523 19.924 -11.545 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.158 19.966 -13.452 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.016 19.813 -11.712 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.031 19.170 -13.835 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.794 20.737 -13.474 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.329 20.672 -14.482 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.870 17.626 -12.798 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.323 17.719 -11.775 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.467 17.874 -13.542 1.00 0.00 H new ATOM 544 N ASP A 37 -15.666 23.026 -12.878 1.00 0.00 N ATOM 545 CA ASP A 37 -16.942 23.721 -12.759 1.00 0.00 C ATOM 546 C ASP A 37 -18.091 22.828 -13.217 1.00 0.00 C ATOM 547 O ASP A 37 -17.919 21.976 -14.089 1.00 0.00 O ATOM 548 CB ASP A 37 -16.924 25.011 -13.579 1.00 0.00 C ATOM 549 CG ASP A 37 -16.065 26.088 -12.946 1.00 0.00 C ATOM 550 OD1 ASP A 37 -15.254 25.753 -12.057 1.00 0.00 O ATOM 551 OD2 ASP A 37 -16.203 27.265 -13.340 1.00 0.00 O ATOM 0 H ASP A 37 -15.318 22.943 -13.833 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.095 23.970 -11.709 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.552 24.796 -14.581 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.943 25.382 -13.690 1.00 0.00 H new ATOM 556 N ALA A 38 -19.263 23.029 -12.624 1.00 0.00 N ATOM 557 CA ALA A 38 -20.441 22.243 -12.972 1.00 0.00 C ATOM 558 C ALA A 38 -21.516 23.118 -13.607 1.00 0.00 C ATOM 559 O ALA A 38 -22.247 22.675 -14.493 1.00 0.00 O ATOM 560 CB ALA A 38 -20.989 21.539 -11.740 1.00 0.00 C ATOM 0 H ALA A 38 -19.422 23.730 -11.900 1.00 0.00 H new ATOM 0 HA ALA A 38 -20.143 21.491 -13.703 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.868 20.956 -12.015 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -20.227 20.875 -11.331 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -21.265 22.280 -10.990 1.00 0.00 H new ATOM 566 N SER A 39 -21.609 24.361 -13.147 1.00 0.00 N ATOM 567 CA SER A 39 -22.599 25.297 -13.666 1.00 0.00 C ATOM 568 C SER A 39 -22.401 25.522 -15.162 1.00 0.00 C ATOM 569 O SER A 39 -23.306 25.983 -15.857 1.00 0.00 O ATOM 570 CB SER A 39 -22.511 26.631 -12.922 1.00 0.00 C ATOM 571 OG SER A 39 -23.449 27.563 -13.433 1.00 0.00 O ATOM 0 H SER A 39 -21.010 24.744 -12.415 1.00 0.00 H new ATOM 0 HA SER A 39 -23.588 24.866 -13.508 1.00 0.00 H new ATOM 0 HB2 SER A 39 -22.694 26.471 -11.859 1.00 0.00 H new ATOM 0 HB3 SER A 39 -21.503 27.037 -13.014 1.00 0.00 H new ATOM 0 HG SER A 39 -23.374 28.407 -12.940 1.00 0.00 H new ATOM 577 N ALA A 40 -21.209 25.194 -15.651 1.00 0.00 N ATOM 578 CA ALA A 40 -20.892 25.358 -17.064 1.00 0.00 C ATOM 579 C ALA A 40 -21.958 24.716 -17.945 1.00 0.00 C ATOM 580 O ALA A 40 -22.327 25.258 -18.988 1.00 0.00 O ATOM 581 CB ALA A 40 -19.525 24.764 -17.370 1.00 0.00 C ATOM 0 H ALA A 40 -20.448 24.813 -15.089 1.00 0.00 H new ATOM 0 HA ALA A 40 -20.871 26.425 -17.284 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -19.301 24.893 -18.429 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -18.766 25.271 -16.774 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.527 23.701 -17.127 1.00 0.00 H new ATOM 587 N THR A 41 -22.452 23.557 -17.519 1.00 0.00 N ATOM 588 CA THR A 41 -23.475 22.840 -18.270 1.00 0.00 C ATOM 589 C THR A 41 -24.613 22.393 -17.359 1.00 0.00 C ATOM 590 O THR A 41 -24.460 22.283 -16.143 1.00 0.00 O ATOM 591 CB THR A 41 -22.888 21.607 -18.982 1.00 0.00 C ATOM 592 OG1 THR A 41 -21.778 21.093 -18.238 1.00 0.00 O ATOM 593 CG2 THR A 41 -22.440 21.960 -20.393 1.00 0.00 C ATOM 0 H THR A 41 -22.160 23.095 -16.658 1.00 0.00 H new ATOM 0 HA THR A 41 -23.862 23.532 -19.018 1.00 0.00 H new ATOM 0 HB THR A 41 -23.666 20.846 -19.044 1.00 0.00 H new ATOM 0 HG1 THR A 41 -21.412 20.308 -18.697 1.00 0.00 H new ATOM 0 HG21 THR A 41 -22.029 21.074 -20.877 1.00 0.00 H new ATOM 0 HG22 THR A 41 -23.294 22.323 -20.966 1.00 0.00 H new ATOM 0 HG23 THR A 41 -21.676 22.736 -20.349 1.00 0.00 H new ATOM 601 N PRO A 42 -25.783 22.129 -17.960 1.00 0.00 N ATOM 602 CA PRO A 42 -26.970 21.688 -17.221 1.00 0.00 C ATOM 603 C PRO A 42 -26.819 20.273 -16.673 1.00 0.00 C ATOM 604 O PRO A 42 -27.192 19.997 -15.533 1.00 0.00 O ATOM 605 CB PRO A 42 -28.081 21.739 -18.272 1.00 0.00 C ATOM 606 CG PRO A 42 -27.377 21.579 -19.575 1.00 0.00 C ATOM 607 CD PRO A 42 -26.037 22.239 -19.406 1.00 0.00 C ATOM 0 HA PRO A 42 -27.162 22.312 -16.348 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -28.810 20.944 -18.116 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -28.624 22.683 -18.229 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -27.264 20.525 -19.830 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -27.942 22.044 -20.383 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -25.265 21.737 -19.989 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -26.057 23.279 -19.733 1.00 0.00 H new ATOM 615 N GLU A 43 -26.270 19.381 -17.491 1.00 0.00 N ATOM 616 CA GLU A 43 -26.071 17.995 -17.087 1.00 0.00 C ATOM 617 C GLU A 43 -25.229 17.914 -15.816 1.00 0.00 C ATOM 618 O GLU A 43 -25.608 17.254 -14.848 1.00 0.00 O ATOM 619 CB GLU A 43 -25.395 17.204 -18.209 1.00 0.00 C ATOM 620 CG GLU A 43 -25.786 15.736 -18.241 1.00 0.00 C ATOM 621 CD GLU A 43 -26.942 15.460 -19.182 1.00 0.00 C ATOM 622 OE1 GLU A 43 -26.824 15.789 -20.381 1.00 0.00 O ATOM 623 OE2 GLU A 43 -27.966 14.915 -18.719 1.00 0.00 O ATOM 0 H GLU A 43 -25.955 19.594 -18.438 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.049 17.560 -16.884 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -25.648 17.659 -19.166 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -24.314 17.281 -18.095 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -24.925 15.141 -18.545 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -26.056 15.414 -17.235 1.00 0.00 H new ATOM 630 N LEU A 44 -24.085 18.590 -15.827 1.00 0.00 N ATOM 631 CA LEU A 44 -23.189 18.596 -14.677 1.00 0.00 C ATOM 632 C LEU A 44 -23.842 19.281 -13.481 1.00 0.00 C ATOM 633 O LEU A 44 -23.510 18.993 -12.331 1.00 0.00 O ATOM 634 CB LEU A 44 -21.878 19.301 -15.030 1.00 0.00 C ATOM 635 CG LEU A 44 -20.856 18.470 -15.806 1.00 0.00 C ATOM 636 CD1 LEU A 44 -19.674 19.330 -16.223 1.00 0.00 C ATOM 637 CD2 LEU A 44 -20.389 17.285 -14.973 1.00 0.00 C ATOM 0 H LEU A 44 -23.757 19.141 -16.620 1.00 0.00 H new ATOM 0 HA LEU A 44 -22.977 17.561 -14.408 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.113 20.190 -15.615 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.412 19.642 -14.106 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.336 18.088 -16.707 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.957 18.721 -16.774 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.023 20.144 -16.858 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.193 19.742 -15.336 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.662 16.705 -15.541 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -19.927 17.646 -14.054 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.243 16.655 -14.726 1.00 0.00 H new ATOM 649 N ARG A 45 -24.774 20.186 -13.760 1.00 0.00 N ATOM 650 CA ARG A 45 -25.475 20.911 -12.707 1.00 0.00 C ATOM 651 C ARG A 45 -26.586 20.056 -12.105 1.00 0.00 C ATOM 652 O ARG A 45 -26.934 20.208 -10.935 1.00 0.00 O ATOM 653 CB ARG A 45 -26.060 22.213 -13.258 1.00 0.00 C ATOM 654 CG ARG A 45 -26.571 23.155 -12.180 1.00 0.00 C ATOM 655 CD ARG A 45 -26.772 24.562 -12.720 1.00 0.00 C ATOM 656 NE ARG A 45 -28.125 24.764 -13.232 1.00 0.00 N ATOM 657 CZ ARG A 45 -28.522 25.875 -13.842 1.00 0.00 C ATOM 658 NH1 ARG A 45 -27.673 26.879 -14.016 1.00 0.00 N ATOM 659 NH2 ARG A 45 -29.770 25.983 -14.281 1.00 0.00 N ATOM 0 H ARG A 45 -25.061 20.435 -14.707 1.00 0.00 H new ATOM 0 HA ARG A 45 -24.756 21.147 -11.922 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -25.297 22.725 -13.844 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -26.878 21.975 -13.938 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -27.514 22.778 -11.783 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -25.863 23.180 -11.351 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -26.572 25.286 -11.930 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -26.051 24.751 -13.516 1.00 0.00 H new ATOM 0 HE ARG A 45 -28.802 24.010 -13.115 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -26.713 26.799 -13.681 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -27.980 27.731 -14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -30.425 25.212 -14.150 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -30.074 26.837 -14.749 1.00 0.00 H new ATOM 673 N ALA A 46 -27.138 19.158 -12.914 1.00 0.00 N ATOM 674 CA ALA A 46 -28.208 18.278 -12.461 1.00 0.00 C ATOM 675 C ALA A 46 -27.697 17.279 -11.428 1.00 0.00 C ATOM 676 O ALA A 46 -28.231 17.186 -10.324 1.00 0.00 O ATOM 677 CB ALA A 46 -28.827 17.548 -13.643 1.00 0.00 C ATOM 0 H ALA A 46 -26.862 19.021 -13.886 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.973 18.892 -11.986 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.625 16.894 -13.290 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -29.237 18.274 -14.345 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -28.064 16.952 -14.143 1.00 0.00 H new ATOM 683 N GLU A 47 -26.660 16.532 -11.797 1.00 0.00 N ATOM 684 CA GLU A 47 -26.079 15.539 -10.902 1.00 0.00 C ATOM 685 C GLU A 47 -25.476 16.204 -9.668 1.00 0.00 C ATOM 686 O GLU A 47 -25.516 15.651 -8.569 1.00 0.00 O ATOM 687 CB GLU A 47 -25.007 14.727 -11.632 1.00 0.00 C ATOM 688 CG GLU A 47 -23.772 15.535 -11.993 1.00 0.00 C ATOM 689 CD GLU A 47 -22.809 14.766 -12.876 1.00 0.00 C ATOM 690 OE1 GLU A 47 -23.273 13.901 -13.648 1.00 0.00 O ATOM 691 OE2 GLU A 47 -21.591 15.030 -12.795 1.00 0.00 O ATOM 0 H GLU A 47 -26.206 16.596 -12.708 1.00 0.00 H new ATOM 0 HA GLU A 47 -26.876 14.869 -10.579 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -24.710 13.886 -11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -25.437 14.310 -12.543 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -24.077 16.449 -12.504 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -23.260 15.836 -11.079 1.00 0.00 H new ATOM 698 N MET A 48 -24.917 17.395 -9.859 1.00 0.00 N ATOM 699 CA MET A 48 -24.306 18.137 -8.762 1.00 0.00 C ATOM 700 C MET A 48 -25.356 18.550 -7.734 1.00 0.00 C ATOM 701 O MET A 48 -25.189 18.319 -6.537 1.00 0.00 O ATOM 702 CB MET A 48 -23.582 19.374 -9.295 1.00 0.00 C ATOM 703 CG MET A 48 -23.355 20.446 -8.242 1.00 0.00 C ATOM 704 SD MET A 48 -24.545 21.796 -8.356 1.00 0.00 S ATOM 705 CE MET A 48 -23.840 22.758 -9.692 1.00 0.00 C ATOM 0 H MET A 48 -24.875 17.866 -10.763 1.00 0.00 H new ATOM 0 HA MET A 48 -23.582 17.485 -8.274 1.00 0.00 H new ATOM 0 HB2 MET A 48 -22.619 19.072 -9.707 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.161 19.799 -10.115 1.00 0.00 H new ATOM 0 HG2 MET A 48 -23.417 19.995 -7.251 1.00 0.00 H new ATOM 0 HG3 MET A 48 -22.347 20.846 -8.348 1.00 0.00 H new ATOM 0 HE1 MET A 48 -24.484 23.611 -9.905 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.851 23.113 -9.402 1.00 0.00 H new ATOM 0 HE3 MET A 48 -23.755 22.136 -10.583 1.00 0.00 H new ATOM 715 N GLN A 49 -26.434 19.163 -8.211 1.00 0.00 N ATOM 716 CA GLN A 49 -27.509 19.610 -7.332 1.00 0.00 C ATOM 717 C GLN A 49 -28.364 18.432 -6.876 1.00 0.00 C ATOM 718 O GLN A 49 -29.120 18.540 -5.911 1.00 0.00 O ATOM 719 CB GLN A 49 -28.383 20.643 -8.045 1.00 0.00 C ATOM 720 CG GLN A 49 -29.564 20.035 -8.784 1.00 0.00 C ATOM 721 CD GLN A 49 -30.122 20.956 -9.851 1.00 0.00 C ATOM 722 OE1 GLN A 49 -30.399 20.530 -10.973 1.00 0.00 O ATOM 723 NE2 GLN A 49 -30.291 22.227 -9.507 1.00 0.00 N ATOM 0 H GLN A 49 -26.587 19.362 -9.200 1.00 0.00 H new ATOM 0 HA GLN A 49 -27.058 20.071 -6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -28.754 21.360 -7.313 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -27.769 21.199 -8.753 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -29.255 19.097 -9.245 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -30.351 19.795 -8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -30.048 22.537 -8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -30.664 22.893 -10.184 1.00 0.00 H new ATOM 732 N GLU A 50 -28.237 17.309 -7.576 1.00 0.00 N ATOM 733 CA GLU A 50 -29.000 16.112 -7.242 1.00 0.00 C ATOM 734 C GLU A 50 -28.463 15.462 -5.970 1.00 0.00 C ATOM 735 O GLU A 50 -29.201 14.799 -5.240 1.00 0.00 O ATOM 736 CB GLU A 50 -28.952 15.110 -8.398 1.00 0.00 C ATOM 737 CG GLU A 50 -29.564 13.761 -8.061 1.00 0.00 C ATOM 738 CD GLU A 50 -30.111 13.047 -9.282 1.00 0.00 C ATOM 739 OE1 GLU A 50 -29.304 12.652 -10.149 1.00 0.00 O ATOM 740 OE2 GLU A 50 -31.346 12.884 -9.369 1.00 0.00 O ATOM 0 H GLU A 50 -27.614 17.203 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 50 -30.035 16.408 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -29.475 15.533 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -27.914 14.964 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -28.811 13.133 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -30.366 13.901 -7.337 1.00 0.00 H new ATOM 747 N ARG A 51 -27.174 15.658 -5.711 1.00 0.00 N ATOM 748 CA ARG A 51 -26.538 15.090 -4.528 1.00 0.00 C ATOM 749 C ARG A 51 -26.603 16.064 -3.355 1.00 0.00 C ATOM 750 O ARG A 51 -26.790 15.658 -2.208 1.00 0.00 O ATOM 751 CB ARG A 51 -25.081 14.734 -4.829 1.00 0.00 C ATOM 752 CG ARG A 51 -24.916 13.784 -6.003 1.00 0.00 C ATOM 753 CD ARG A 51 -23.461 13.676 -6.432 1.00 0.00 C ATOM 754 NE ARG A 51 -23.077 12.298 -6.725 1.00 0.00 N ATOM 755 CZ ARG A 51 -23.525 11.617 -7.775 1.00 0.00 C ATOM 756 NH1 ARG A 51 -24.367 12.185 -8.627 1.00 0.00 N ATOM 757 NH2 ARG A 51 -23.130 10.366 -7.974 1.00 0.00 N ATOM 0 H ARG A 51 -26.550 16.205 -6.304 1.00 0.00 H new ATOM 0 HA ARG A 51 -27.078 14.183 -4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -24.527 15.650 -5.033 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -24.635 14.283 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -25.290 12.797 -5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -25.519 14.132 -6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -23.297 14.293 -7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -22.820 14.071 -5.643 1.00 0.00 H new ATOM 0 HE ARG A 51 -22.429 11.832 -6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -24.672 13.147 -8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -24.709 11.660 -9.432 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -22.482 9.926 -7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -23.475 9.845 -8.780 1.00 0.00 H new ATOM 771 N SER A 52 -26.448 17.350 -3.651 1.00 0.00 N ATOM 772 CA SER A 52 -26.485 18.382 -2.621 1.00 0.00 C ATOM 773 C SER A 52 -27.923 18.707 -2.229 1.00 0.00 C ATOM 774 O SER A 52 -28.216 18.972 -1.064 1.00 0.00 O ATOM 775 CB SER A 52 -25.779 19.648 -3.112 1.00 0.00 C ATOM 776 OG SER A 52 -25.514 20.533 -2.037 1.00 0.00 O ATOM 0 H SER A 52 -26.296 17.703 -4.596 1.00 0.00 H new ATOM 0 HA SER A 52 -25.964 18.002 -1.742 1.00 0.00 H new ATOM 0 HB2 SER A 52 -24.845 19.379 -3.605 1.00 0.00 H new ATOM 0 HB3 SER A 52 -26.399 20.149 -3.855 1.00 0.00 H new ATOM 0 HG SER A 52 -24.651 20.975 -2.182 1.00 0.00 H new ATOM 782 N GLY A 53 -28.818 18.684 -3.213 1.00 0.00 N ATOM 783 CA GLY A 53 -30.214 18.978 -2.952 1.00 0.00 C ATOM 784 C GLY A 53 -30.500 20.467 -2.935 1.00 0.00 C ATOM 785 O GLY A 53 -31.645 20.884 -2.759 1.00 0.00 O ATOM 0 H GLY A 53 -28.600 18.467 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -30.831 18.501 -3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -30.500 18.545 -1.993 1.00 0.00 H new ATOM 789 N ARG A 54 -29.457 21.270 -3.118 1.00 0.00 N ATOM 790 CA ARG A 54 -29.602 22.721 -3.120 1.00 0.00 C ATOM 791 C ARG A 54 -29.210 23.304 -4.474 1.00 0.00 C ATOM 792 O ARG A 54 -28.764 22.583 -5.366 1.00 0.00 O ATOM 793 CB ARG A 54 -28.742 23.341 -2.017 1.00 0.00 C ATOM 794 CG ARG A 54 -29.314 23.156 -0.622 1.00 0.00 C ATOM 795 CD ARG A 54 -28.702 24.137 0.366 1.00 0.00 C ATOM 796 NE ARG A 54 -29.259 23.983 1.707 1.00 0.00 N ATOM 797 CZ ARG A 54 -28.900 23.017 2.545 1.00 0.00 C ATOM 798 NH1 ARG A 54 -27.989 22.124 2.183 1.00 0.00 N ATOM 799 NH2 ARG A 54 -29.452 22.943 3.750 1.00 0.00 N ATOM 0 H ARG A 54 -28.503 20.941 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 54 -30.649 22.958 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -27.746 22.900 -2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -28.626 24.407 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -30.395 23.293 -0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -29.130 22.136 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -27.623 23.989 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -28.872 25.156 0.018 1.00 0.00 H new ATOM 0 HE ARG A 54 -29.962 24.654 2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -27.562 22.178 1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -27.716 21.384 2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -30.152 23.628 4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -29.176 22.201 4.393 1.00 0.00 H new ATOM 813 N ASN A 55 -29.381 24.614 -4.620 1.00 0.00 N ATOM 814 CA ASN A 55 -29.046 25.294 -5.866 1.00 0.00 C ATOM 815 C ASN A 55 -27.668 24.871 -6.364 1.00 0.00 C ATOM 816 O ASN A 55 -27.545 24.194 -7.386 1.00 0.00 O ATOM 817 CB ASN A 55 -29.086 26.811 -5.670 1.00 0.00 C ATOM 818 CG ASN A 55 -28.653 27.225 -4.277 1.00 0.00 C ATOM 819 OD1 ASN A 55 -29.424 27.132 -3.322 1.00 0.00 O ATOM 820 ND2 ASN A 55 -27.414 27.687 -4.156 1.00 0.00 N ATOM 0 H ASN A 55 -29.749 25.225 -3.891 1.00 0.00 H new ATOM 0 HA ASN A 55 -29.786 25.011 -6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -28.438 27.287 -6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -30.098 27.172 -5.856 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -27.067 27.982 -3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -26.810 27.747 -4.975 1.00 0.00 H new ATOM 827 N THR A 56 -26.632 25.273 -5.635 1.00 0.00 N ATOM 828 CA THR A 56 -25.262 24.936 -6.002 1.00 0.00 C ATOM 829 C THR A 56 -24.320 25.094 -4.814 1.00 0.00 C ATOM 830 O THR A 56 -24.367 26.096 -4.100 1.00 0.00 O ATOM 831 CB THR A 56 -24.759 25.816 -7.162 1.00 0.00 C ATOM 832 OG1 THR A 56 -25.759 25.898 -8.184 1.00 0.00 O ATOM 833 CG2 THR A 56 -23.472 25.254 -7.748 1.00 0.00 C ATOM 0 H THR A 56 -26.716 25.833 -4.786 1.00 0.00 H new ATOM 0 HA THR A 56 -25.267 23.894 -6.322 1.00 0.00 H new ATOM 0 HB THR A 56 -24.557 26.813 -6.772 1.00 0.00 H new ATOM 0 HG1 THR A 56 -26.284 25.071 -8.195 1.00 0.00 H new ATOM 0 HG21 THR A 56 -23.136 25.892 -8.565 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.705 25.220 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 56 -23.653 24.247 -8.124 1.00 0.00 H new ATOM 841 N PHE A 57 -23.464 24.098 -4.607 1.00 0.00 N ATOM 842 CA PHE A 57 -22.511 24.127 -3.504 1.00 0.00 C ATOM 843 C PHE A 57 -21.206 23.439 -3.896 1.00 0.00 C ATOM 844 O PHE A 57 -21.140 22.683 -4.865 1.00 0.00 O ATOM 845 CB PHE A 57 -23.107 23.449 -2.269 1.00 0.00 C ATOM 846 CG PHE A 57 -22.620 22.044 -2.062 1.00 0.00 C ATOM 847 CD1 PHE A 57 -22.862 21.066 -3.014 1.00 0.00 C ATOM 848 CD2 PHE A 57 -21.920 21.700 -0.917 1.00 0.00 C ATOM 849 CE1 PHE A 57 -22.416 19.771 -2.826 1.00 0.00 C ATOM 850 CE2 PHE A 57 -21.471 20.407 -0.724 1.00 0.00 C ATOM 851 CZ PHE A 57 -21.719 19.442 -1.681 1.00 0.00 C ATOM 0 H PHE A 57 -23.411 23.262 -5.188 1.00 0.00 H new ATOM 0 HA PHE A 57 -22.296 25.169 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -22.866 24.042 -1.387 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -24.193 23.439 -2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -23.405 21.318 -3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -21.723 22.451 -0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.613 19.018 -3.574 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -20.927 20.152 0.173 1.00 0.00 H new ATOM 0 HZ PHE A 57 -21.368 18.431 -1.533 1.00 0.00 H new ATOM 861 N PRO A 58 -20.142 23.708 -3.125 1.00 0.00 N ATOM 862 CA PRO A 58 -18.819 23.126 -3.370 1.00 0.00 C ATOM 863 C PRO A 58 -18.780 21.630 -3.073 1.00 0.00 C ATOM 864 O PRO A 58 -19.026 21.207 -1.945 1.00 0.00 O ATOM 865 CB PRO A 58 -17.911 23.887 -2.402 1.00 0.00 C ATOM 866 CG PRO A 58 -18.816 24.336 -1.307 1.00 0.00 C ATOM 867 CD PRO A 58 -20.148 24.600 -1.953 1.00 0.00 C ATOM 0 HA PRO A 58 -18.521 23.216 -4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.115 23.248 -2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.432 24.735 -2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.902 23.573 -0.534 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.431 25.235 -0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.974 24.372 -1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -20.253 25.645 -2.244 1.00 0.00 H new ATOM 875 N GLN A 59 -18.468 20.837 -4.093 1.00 0.00 N ATOM 876 CA GLN A 59 -18.397 19.389 -3.940 1.00 0.00 C ATOM 877 C GLN A 59 -16.963 18.938 -3.686 1.00 0.00 C ATOM 878 O GLN A 59 -16.045 19.318 -4.413 1.00 0.00 O ATOM 879 CB GLN A 59 -18.949 18.695 -5.187 1.00 0.00 C ATOM 880 CG GLN A 59 -20.326 18.084 -4.984 1.00 0.00 C ATOM 881 CD GLN A 59 -21.414 18.836 -5.726 1.00 0.00 C ATOM 882 OE1 GLN A 59 -22.278 18.233 -6.362 1.00 0.00 O ATOM 883 NE2 GLN A 59 -21.376 20.161 -5.648 1.00 0.00 N ATOM 0 H GLN A 59 -18.261 21.173 -5.034 1.00 0.00 H new ATOM 0 HA GLN A 59 -19.004 19.110 -3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.997 19.416 -6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -18.255 17.913 -5.494 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -20.312 17.047 -5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -20.560 18.071 -3.920 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.641 20.619 -5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -22.082 20.721 -6.127 1.00 0.00 H new ATOM 892 N ILE A 60 -16.778 18.127 -2.650 1.00 0.00 N ATOM 893 CA ILE A 60 -15.455 17.624 -2.302 1.00 0.00 C ATOM 894 C ILE A 60 -15.369 16.115 -2.504 1.00 0.00 C ATOM 895 O ILE A 60 -15.827 15.338 -1.666 1.00 0.00 O ATOM 896 CB ILE A 60 -15.093 17.956 -0.842 1.00 0.00 C ATOM 897 CG1 ILE A 60 -15.115 19.469 -0.620 1.00 0.00 C ATOM 898 CG2 ILE A 60 -13.728 17.383 -0.491 1.00 0.00 C ATOM 899 CD1 ILE A 60 -14.186 20.229 -1.541 1.00 0.00 C ATOM 0 H ILE A 60 -17.527 17.804 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.745 18.118 -2.966 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.835 17.501 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.132 19.834 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -14.841 19.680 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.487 17.626 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.745 16.300 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.973 17.812 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.254 21.296 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -13.162 19.892 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -14.472 20.048 -2.577 1.00 0.00 H new ATOM 911 N PHE A 61 -14.778 15.706 -3.622 1.00 0.00 N ATOM 912 CA PHE A 61 -14.631 14.289 -3.935 1.00 0.00 C ATOM 913 C PHE A 61 -13.252 13.781 -3.522 1.00 0.00 C ATOM 914 O PHE A 61 -12.237 14.175 -4.097 1.00 0.00 O ATOM 915 CB PHE A 61 -14.848 14.051 -5.431 1.00 0.00 C ATOM 916 CG PHE A 61 -16.134 14.627 -5.949 1.00 0.00 C ATOM 917 CD1 PHE A 61 -17.338 14.344 -5.324 1.00 0.00 C ATOM 918 CD2 PHE A 61 -16.140 15.453 -7.062 1.00 0.00 C ATOM 919 CE1 PHE A 61 -18.523 14.873 -5.798 1.00 0.00 C ATOM 920 CE2 PHE A 61 -17.322 15.985 -7.541 1.00 0.00 C ATOM 921 CZ PHE A 61 -18.515 15.694 -6.909 1.00 0.00 C ATOM 0 H PHE A 61 -14.393 16.336 -4.326 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.385 13.738 -3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -14.016 14.486 -5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -14.835 12.979 -5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -17.350 13.702 -4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -15.210 15.684 -7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -19.454 14.645 -5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -17.313 16.628 -8.409 1.00 0.00 H new ATOM 0 HZ PHE A 61 -19.440 16.108 -7.283 1.00 0.00 H new ATOM 931 N ILE A 62 -13.226 12.906 -2.523 1.00 0.00 N ATOM 932 CA ILE A 62 -11.973 12.344 -2.034 1.00 0.00 C ATOM 933 C ILE A 62 -11.906 10.843 -2.293 1.00 0.00 C ATOM 934 O ILE A 62 -12.663 10.067 -1.712 1.00 0.00 O ATOM 935 CB ILE A 62 -11.792 12.601 -0.526 1.00 0.00 C ATOM 936 CG1 ILE A 62 -11.739 14.105 -0.246 1.00 0.00 C ATOM 937 CG2 ILE A 62 -10.530 11.918 -0.020 1.00 0.00 C ATOM 938 CD1 ILE A 62 -11.516 14.440 1.212 1.00 0.00 C ATOM 0 H ILE A 62 -14.058 12.571 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.170 12.841 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.647 12.181 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.939 14.549 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.672 14.561 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.416 12.109 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.604 10.844 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.665 12.311 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.489 15.523 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.329 14.026 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.569 14.013 1.543 1.00 0.00 H new ATOM 950 N GLY A 63 -10.991 10.440 -3.171 1.00 0.00 N ATOM 951 CA GLY A 63 -10.840 9.033 -3.491 1.00 0.00 C ATOM 952 C GLY A 63 -12.055 8.465 -4.196 1.00 0.00 C ATOM 953 O GLY A 63 -12.290 8.751 -5.370 1.00 0.00 O ATOM 0 H GLY A 63 -10.353 11.063 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.962 8.900 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.661 8.472 -2.574 1.00 0.00 H new ATOM 957 N SER A 64 -12.829 7.656 -3.480 1.00 0.00 N ATOM 958 CA SER A 64 -14.024 7.041 -4.046 1.00 0.00 C ATOM 959 C SER A 64 -15.264 7.422 -3.242 1.00 0.00 C ATOM 960 O SER A 64 -16.332 6.833 -3.410 1.00 0.00 O ATOM 961 CB SER A 64 -13.873 5.519 -4.081 1.00 0.00 C ATOM 962 OG SER A 64 -12.883 5.127 -5.016 1.00 0.00 O ATOM 0 H SER A 64 -12.650 7.411 -2.506 1.00 0.00 H new ATOM 0 HA SER A 64 -14.145 7.410 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.606 5.154 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.827 5.062 -4.343 1.00 0.00 H new ATOM 0 HG SER A 64 -12.804 4.150 -5.019 1.00 0.00 H new ATOM 968 N VAL A 65 -15.114 8.412 -2.368 1.00 0.00 N ATOM 969 CA VAL A 65 -16.220 8.874 -1.538 1.00 0.00 C ATOM 970 C VAL A 65 -16.463 10.367 -1.726 1.00 0.00 C ATOM 971 O VAL A 65 -15.542 11.122 -2.041 1.00 0.00 O ATOM 972 CB VAL A 65 -15.959 8.591 -0.047 1.00 0.00 C ATOM 973 CG1 VAL A 65 -17.206 8.875 0.777 1.00 0.00 C ATOM 974 CG2 VAL A 65 -15.496 7.155 0.150 1.00 0.00 C ATOM 0 H VAL A 65 -14.237 8.910 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 65 -17.105 8.323 -1.855 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.166 9.255 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -17.002 8.669 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -17.489 9.921 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -18.022 8.238 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -15.316 6.973 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -16.265 6.472 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -14.574 6.990 -0.408 1.00 0.00 H new ATOM 984 N HIS A 66 -17.708 10.788 -1.531 1.00 0.00 N ATOM 985 CA HIS A 66 -18.072 12.193 -1.679 1.00 0.00 C ATOM 986 C HIS A 66 -18.202 12.866 -0.316 1.00 0.00 C ATOM 987 O HIS A 66 -19.223 12.733 0.359 1.00 0.00 O ATOM 988 CB HIS A 66 -19.385 12.323 -2.451 1.00 0.00 C ATOM 989 CG HIS A 66 -19.836 13.740 -2.633 1.00 0.00 C ATOM 990 ND1 HIS A 66 -21.157 14.093 -2.807 1.00 0.00 N ATOM 991 CD2 HIS A 66 -19.131 14.895 -2.665 1.00 0.00 C ATOM 992 CE1 HIS A 66 -21.246 15.404 -2.940 1.00 0.00 C ATOM 993 NE2 HIS A 66 -20.031 15.915 -2.857 1.00 0.00 N ATOM 0 H HIS A 66 -18.482 10.177 -1.270 1.00 0.00 H new ATOM 0 HA HIS A 66 -17.280 12.691 -2.238 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -19.268 11.859 -3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -20.162 11.768 -1.926 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -21.943 13.443 -2.830 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -18.061 14.996 -2.559 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -22.158 15.963 -3.091 1.00 0.00 H new ATOM 1001 N VAL A 67 -17.160 13.588 0.084 1.00 0.00 N ATOM 1002 CA VAL A 67 -17.157 14.283 1.366 1.00 0.00 C ATOM 1003 C VAL A 67 -18.351 15.225 1.483 1.00 0.00 C ATOM 1004 O VAL A 67 -19.346 14.904 2.130 1.00 0.00 O ATOM 1005 CB VAL A 67 -15.860 15.088 1.565 1.00 0.00 C ATOM 1006 CG1 VAL A 67 -15.951 15.946 2.818 1.00 0.00 C ATOM 1007 CG2 VAL A 67 -14.660 14.156 1.632 1.00 0.00 C ATOM 0 H VAL A 67 -16.307 13.707 -0.462 1.00 0.00 H new ATOM 0 HA VAL A 67 -17.223 13.519 2.141 1.00 0.00 H new ATOM 0 HB VAL A 67 -15.729 15.750 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -15.025 16.508 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -16.787 16.640 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.107 15.306 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.752 14.742 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.781 13.467 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.586 13.590 0.703 1.00 0.00 H new ATOM 1017 N GLY A 68 -18.243 16.390 0.851 1.00 0.00 N ATOM 1018 CA GLY A 68 -19.320 17.361 0.897 1.00 0.00 C ATOM 1019 C GLY A 68 -18.907 18.711 0.345 1.00 0.00 C ATOM 1020 O GLY A 68 -18.721 18.866 -0.862 1.00 0.00 O ATOM 0 H GLY A 68 -17.429 16.678 0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -20.170 16.984 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -19.654 17.480 1.928 1.00 0.00 H new ATOM 1024 N GLY A 69 -18.765 19.692 1.230 1.00 0.00 N ATOM 1025 CA GLY A 69 -18.375 21.024 0.805 1.00 0.00 C ATOM 1026 C GLY A 69 -17.618 21.777 1.881 1.00 0.00 C ATOM 1027 O GLY A 69 -16.847 21.185 2.638 1.00 0.00 O ATOM 0 H GLY A 69 -18.913 19.589 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.754 20.950 -0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.265 21.589 0.528 1.00 0.00 H new ATOM 1031 N CYS A 70 -17.836 23.086 1.950 1.00 0.00 N ATOM 1032 CA CYS A 70 -17.166 23.922 2.940 1.00 0.00 C ATOM 1033 C CYS A 70 -17.505 23.466 4.355 1.00 0.00 C ATOM 1034 O CYS A 70 -16.619 23.300 5.193 1.00 0.00 O ATOM 1035 CB CYS A 70 -17.564 25.387 2.753 1.00 0.00 C ATOM 1036 SG CYS A 70 -16.875 26.503 3.998 1.00 0.00 S ATOM 0 H CYS A 70 -18.471 23.591 1.332 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.090 23.824 2.795 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -17.241 25.717 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -18.651 25.463 2.774 1.00 0.00 H new ATOM 0 HG CYS A 70 -15.852 25.939 4.568 1.00 0.00 H new ATOM 1042 N ASP A 71 -18.793 23.267 4.614 1.00 0.00 N ATOM 1043 CA ASP A 71 -19.250 22.831 5.929 1.00 0.00 C ATOM 1044 C ASP A 71 -18.574 21.524 6.332 1.00 0.00 C ATOM 1045 O ASP A 71 -18.045 21.402 7.437 1.00 0.00 O ATOM 1046 CB ASP A 71 -20.769 22.657 5.932 1.00 0.00 C ATOM 1047 CG ASP A 71 -21.344 22.615 7.335 1.00 0.00 C ATOM 1048 OD1 ASP A 71 -20.968 23.478 8.156 1.00 0.00 O ATOM 1049 OD2 ASP A 71 -22.170 21.720 7.610 1.00 0.00 O ATOM 0 H ASP A 71 -19.539 23.401 3.931 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.979 23.598 6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.227 23.477 5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.027 21.736 5.409 1.00 0.00 H new ATOM 1054 N ASP A 72 -18.598 20.549 5.430 1.00 0.00 N ATOM 1055 CA ASP A 72 -17.988 19.250 5.692 1.00 0.00 C ATOM 1056 C ASP A 72 -16.479 19.384 5.867 1.00 0.00 C ATOM 1057 O ASP A 72 -15.916 18.928 6.864 1.00 0.00 O ATOM 1058 CB ASP A 72 -18.298 18.278 4.552 1.00 0.00 C ATOM 1059 CG ASP A 72 -19.785 18.040 4.383 1.00 0.00 C ATOM 1060 OD1 ASP A 72 -20.429 18.811 3.641 1.00 0.00 O ATOM 1061 OD2 ASP A 72 -20.306 17.082 4.992 1.00 0.00 O ATOM 0 H ASP A 72 -19.033 20.633 4.511 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.409 18.858 6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -17.888 18.671 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -17.800 17.327 4.743 1.00 0.00 H new ATOM 1066 N LEU A 73 -15.829 20.010 4.893 1.00 0.00 N ATOM 1067 CA LEU A 73 -14.383 20.203 4.939 1.00 0.00 C ATOM 1068 C LEU A 73 -13.966 20.888 6.236 1.00 0.00 C ATOM 1069 O LEU A 73 -13.012 20.470 6.892 1.00 0.00 O ATOM 1070 CB LEU A 73 -13.922 21.033 3.739 1.00 0.00 C ATOM 1071 CG LEU A 73 -12.492 20.780 3.258 1.00 0.00 C ATOM 1072 CD1 LEU A 73 -12.332 19.341 2.795 1.00 0.00 C ATOM 1073 CD2 LEU A 73 -12.127 21.747 2.141 1.00 0.00 C ATOM 0 H LEU A 73 -16.279 20.393 4.062 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.908 19.223 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.602 20.844 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.017 22.088 3.994 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.812 20.948 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.309 19.179 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.551 18.666 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.021 19.144 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.107 21.553 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.811 21.611 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.201 22.771 2.507 1.00 0.00 H new ATOM 1085 N TYR A 74 -14.688 21.942 6.601 1.00 0.00 N ATOM 1086 CA TYR A 74 -14.393 22.685 7.820 1.00 0.00 C ATOM 1087 C TYR A 74 -14.724 21.856 9.058 1.00 0.00 C ATOM 1088 O TYR A 74 -14.090 21.999 10.102 1.00 0.00 O ATOM 1089 CB TYR A 74 -15.180 23.997 7.846 1.00 0.00 C ATOM 1090 CG TYR A 74 -14.484 25.135 7.135 1.00 0.00 C ATOM 1091 CD1 TYR A 74 -13.842 24.932 5.919 1.00 0.00 C ATOM 1092 CD2 TYR A 74 -14.468 26.414 7.678 1.00 0.00 C ATOM 1093 CE1 TYR A 74 -13.204 25.969 5.267 1.00 0.00 C ATOM 1094 CE2 TYR A 74 -13.834 27.457 7.032 1.00 0.00 C ATOM 1095 CZ TYR A 74 -13.203 27.229 5.827 1.00 0.00 C ATOM 1096 OH TYR A 74 -12.570 28.265 5.179 1.00 0.00 O ATOM 0 H TYR A 74 -15.482 22.301 6.070 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.326 22.908 7.829 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -16.155 23.835 7.387 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -15.359 24.283 8.882 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -13.842 23.947 5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -14.960 26.596 8.622 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.708 25.794 4.323 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -13.832 28.445 7.468 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.663 29.086 5.706 1.00 0.00 H new ATOM 1106 N ALA A 75 -15.722 20.988 8.930 1.00 0.00 N ATOM 1107 CA ALA A 75 -16.137 20.133 10.036 1.00 0.00 C ATOM 1108 C ALA A 75 -15.138 19.003 10.260 1.00 0.00 C ATOM 1109 O ALA A 75 -14.947 18.544 11.388 1.00 0.00 O ATOM 1110 CB ALA A 75 -17.525 19.569 9.775 1.00 0.00 C ATOM 0 H ALA A 75 -16.258 20.858 8.072 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.168 20.740 10.941 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.822 18.933 10.609 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.237 20.388 9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.512 18.982 8.857 1.00 0.00 H new ATOM 1116 N LEU A 76 -14.504 18.557 9.182 1.00 0.00 N ATOM 1117 CA LEU A 76 -13.525 17.479 9.261 1.00 0.00 C ATOM 1118 C LEU A 76 -12.184 17.997 9.771 1.00 0.00 C ATOM 1119 O LEU A 76 -11.600 17.431 10.694 1.00 0.00 O ATOM 1120 CB LEU A 76 -13.343 16.826 7.889 1.00 0.00 C ATOM 1121 CG LEU A 76 -14.353 15.737 7.525 1.00 0.00 C ATOM 1122 CD1 LEU A 76 -13.798 14.361 7.858 1.00 0.00 C ATOM 1123 CD2 LEU A 76 -15.672 15.970 8.247 1.00 0.00 C ATOM 0 H LEU A 76 -14.650 18.925 8.242 1.00 0.00 H new ATOM 0 HA LEU A 76 -13.898 16.735 9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.390 17.606 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.343 16.396 7.843 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.536 15.783 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.531 13.599 7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.880 14.193 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.585 14.303 8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -16.379 15.186 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.505 15.952 9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -16.078 16.940 7.959 1.00 0.00 H new ATOM 1135 N GLU A 77 -11.704 19.079 9.165 1.00 0.00 N ATOM 1136 CA GLU A 77 -10.433 19.674 9.560 1.00 0.00 C ATOM 1137 C GLU A 77 -10.424 19.998 11.051 1.00 0.00 C ATOM 1138 O GLU A 77 -9.370 20.013 11.687 1.00 0.00 O ATOM 1139 CB GLU A 77 -10.165 20.943 8.748 1.00 0.00 C ATOM 1140 CG GLU A 77 -10.938 22.155 9.242 1.00 0.00 C ATOM 1141 CD GLU A 77 -10.141 22.997 10.219 1.00 0.00 C ATOM 1142 OE1 GLU A 77 -9.061 22.543 10.651 1.00 0.00 O ATOM 1143 OE2 GLU A 77 -10.597 24.111 10.551 1.00 0.00 O ATOM 0 H GLU A 77 -12.176 19.561 8.400 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.643 18.950 9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.098 21.165 8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.423 20.758 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.226 22.770 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.859 21.823 9.721 1.00 0.00 H new ATOM 1150 N ASP A 78 -11.605 20.258 11.600 1.00 0.00 N ATOM 1151 CA ASP A 78 -11.734 20.582 13.016 1.00 0.00 C ATOM 1152 C ASP A 78 -11.320 19.398 13.885 1.00 0.00 C ATOM 1153 O ASP A 78 -10.918 19.571 15.035 1.00 0.00 O ATOM 1154 CB ASP A 78 -13.173 20.989 13.339 1.00 0.00 C ATOM 1155 CG ASP A 78 -13.255 21.945 14.513 1.00 0.00 C ATOM 1156 OD1 ASP A 78 -12.720 23.068 14.403 1.00 0.00 O ATOM 1157 OD2 ASP A 78 -13.855 21.570 15.542 1.00 0.00 O ATOM 0 H ASP A 78 -12.486 20.251 11.087 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.070 21.419 13.234 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.621 21.456 12.462 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.759 20.097 13.559 1.00 0.00 H new ATOM 1162 N GLU A 79 -11.424 18.196 13.326 1.00 0.00 N ATOM 1163 CA GLU A 79 -11.062 16.984 14.051 1.00 0.00 C ATOM 1164 C GLU A 79 -9.725 16.435 13.561 1.00 0.00 C ATOM 1165 O GLU A 79 -9.061 15.671 14.260 1.00 0.00 O ATOM 1166 CB GLU A 79 -12.152 15.922 13.889 1.00 0.00 C ATOM 1167 CG GLU A 79 -13.559 16.458 14.091 1.00 0.00 C ATOM 1168 CD GLU A 79 -14.334 15.683 15.139 1.00 0.00 C ATOM 1169 OE1 GLU A 79 -14.427 14.444 15.011 1.00 0.00 O ATOM 1170 OE2 GLU A 79 -14.847 16.314 16.086 1.00 0.00 O ATOM 0 H GLU A 79 -11.756 18.036 12.375 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.966 17.238 15.107 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.078 15.486 12.893 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.973 15.118 14.603 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.506 17.506 14.385 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.098 16.420 13.144 1.00 0.00 H new ATOM 1177 N GLY A 80 -9.337 16.831 12.352 1.00 0.00 N ATOM 1178 CA GLY A 80 -8.082 16.369 11.788 1.00 0.00 C ATOM 1179 C GLY A 80 -8.204 15.004 11.142 1.00 0.00 C ATOM 1180 O GLY A 80 -7.257 14.217 11.150 1.00 0.00 O ATOM 0 H GLY A 80 -9.869 17.463 11.754 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.734 17.088 11.047 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.327 16.330 12.573 1.00 0.00 H new ATOM 1184 N LYS A 81 -9.375 14.719 10.582 1.00 0.00 N ATOM 1185 CA LYS A 81 -9.620 13.438 9.929 1.00 0.00 C ATOM 1186 C LYS A 81 -9.337 13.528 8.433 1.00 0.00 C ATOM 1187 O LYS A 81 -9.131 12.512 7.767 1.00 0.00 O ATOM 1188 CB LYS A 81 -11.066 12.993 10.159 1.00 0.00 C ATOM 1189 CG LYS A 81 -11.451 12.912 11.627 1.00 0.00 C ATOM 1190 CD LYS A 81 -10.901 11.655 12.279 1.00 0.00 C ATOM 1191 CE LYS A 81 -9.516 11.888 12.861 1.00 0.00 C ATOM 1192 NZ LYS A 81 -9.239 10.987 14.013 1.00 0.00 N ATOM 0 H LYS A 81 -10.170 15.358 10.567 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.946 12.701 10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.736 13.689 9.654 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.214 12.016 9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.074 13.790 12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.537 12.926 11.721 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.578 11.328 13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.857 10.852 11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.765 11.729 12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.427 12.926 13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.285 11.177 14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.940 11.157 14.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.298 9.997 13.701 1.00 0.00 H new ATOM 1206 N LEU A 82 -9.327 14.749 7.909 1.00 0.00 N ATOM 1207 CA LEU A 82 -9.067 14.972 6.491 1.00 0.00 C ATOM 1208 C LEU A 82 -7.790 14.261 6.053 1.00 0.00 C ATOM 1209 O LEU A 82 -7.715 13.724 4.948 1.00 0.00 O ATOM 1210 CB LEU A 82 -8.955 16.470 6.202 1.00 0.00 C ATOM 1211 CG LEU A 82 -10.246 17.278 6.338 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -9.988 18.748 6.046 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -11.320 16.728 5.411 1.00 0.00 C ATOM 0 H LEU A 82 -9.496 15.600 8.445 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.903 14.561 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.211 16.895 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.576 16.597 5.188 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.601 17.190 7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.918 19.308 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.252 19.135 6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.609 18.856 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.232 17.315 5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.974 16.785 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.525 15.689 5.668 1.00 0.00 H new ATOM 1225 N ASP A 83 -6.790 14.260 6.928 1.00 0.00 N ATOM 1226 CA ASP A 83 -5.518 13.612 6.633 1.00 0.00 C ATOM 1227 C ASP A 83 -5.729 12.154 6.238 1.00 0.00 C ATOM 1228 O ASP A 83 -5.120 11.663 5.287 1.00 0.00 O ATOM 1229 CB ASP A 83 -4.586 13.696 7.843 1.00 0.00 C ATOM 1230 CG ASP A 83 -3.307 12.907 7.644 1.00 0.00 C ATOM 1231 OD1 ASP A 83 -2.337 13.477 7.102 1.00 0.00 O ATOM 1232 OD2 ASP A 83 -3.276 11.719 8.030 1.00 0.00 O ATOM 0 H ASP A 83 -6.836 14.701 7.847 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.059 14.134 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.339 14.740 8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.106 13.323 8.725 1.00 0.00 H new ATOM 1237 N SER A 84 -6.595 11.466 6.976 1.00 0.00 N ATOM 1238 CA SER A 84 -6.883 10.062 6.706 1.00 0.00 C ATOM 1239 C SER A 84 -7.829 9.920 5.517 1.00 0.00 C ATOM 1240 O SER A 84 -7.829 8.900 4.827 1.00 0.00 O ATOM 1241 CB SER A 84 -7.494 9.398 7.941 1.00 0.00 C ATOM 1242 OG SER A 84 -6.622 9.490 9.054 1.00 0.00 O ATOM 0 H SER A 84 -7.109 11.858 7.765 1.00 0.00 H new ATOM 0 HA SER A 84 -5.944 9.565 6.462 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.445 9.873 8.180 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.706 8.350 7.727 1.00 0.00 H new ATOM 0 HG SER A 84 -7.037 9.060 9.831 1.00 0.00 H new ATOM 1248 N LEU A 85 -8.635 10.950 5.285 1.00 0.00 N ATOM 1249 CA LEU A 85 -9.587 10.943 4.180 1.00 0.00 C ATOM 1250 C LEU A 85 -8.863 10.941 2.837 1.00 0.00 C ATOM 1251 O LEU A 85 -9.233 10.205 1.921 1.00 0.00 O ATOM 1252 CB LEU A 85 -10.514 12.156 4.271 1.00 0.00 C ATOM 1253 CG LEU A 85 -11.834 11.937 5.011 1.00 0.00 C ATOM 1254 CD1 LEU A 85 -12.665 10.869 4.317 1.00 0.00 C ATOM 1255 CD2 LEU A 85 -11.576 11.555 6.462 1.00 0.00 C ATOM 0 H LEU A 85 -8.648 11.801 5.847 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.182 10.033 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.974 12.965 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.739 12.493 3.259 1.00 0.00 H new ATOM 0 HG LEU A 85 -12.395 12.871 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.600 10.727 4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.881 11.182 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.110 9.931 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.527 11.403 6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.994 10.634 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.022 12.354 6.956 1.00 0.00 H new ATOM 1267 N LEU A 86 -7.830 11.769 2.727 1.00 0.00 N ATOM 1268 CA LEU A 86 -7.052 11.862 1.497 1.00 0.00 C ATOM 1269 C LEU A 86 -6.018 10.743 1.420 1.00 0.00 C ATOM 1270 O LEU A 86 -5.604 10.338 0.334 1.00 0.00 O ATOM 1271 CB LEU A 86 -6.355 13.221 1.412 1.00 0.00 C ATOM 1272 CG LEU A 86 -5.388 13.552 2.549 1.00 0.00 C ATOM 1273 CD1 LEU A 86 -4.019 12.948 2.278 1.00 0.00 C ATOM 1274 CD2 LEU A 86 -5.281 15.058 2.737 1.00 0.00 C ATOM 0 H LEU A 86 -7.512 12.386 3.475 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.737 11.758 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.807 13.268 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.119 13.997 1.375 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.778 13.118 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.344 13.194 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.109 11.865 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.621 13.352 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.589 15.275 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.915 15.514 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.263 15.465 2.978 1.00 0.00 H new ATOM 1286 N LYS A 87 -5.606 10.245 2.581 1.00 0.00 N ATOM 1287 CA LYS A 87 -4.623 9.170 2.647 1.00 0.00 C ATOM 1288 C LYS A 87 -5.254 7.832 2.272 1.00 0.00 C ATOM 1289 O LYS A 87 -4.677 7.053 1.512 1.00 0.00 O ATOM 1290 CB LYS A 87 -4.022 9.086 4.052 1.00 0.00 C ATOM 1291 CG LYS A 87 -2.772 9.931 4.230 1.00 0.00 C ATOM 1292 CD LYS A 87 -1.809 9.300 5.222 1.00 0.00 C ATOM 1293 CE LYS A 87 -0.828 8.366 4.529 1.00 0.00 C ATOM 1294 NZ LYS A 87 0.328 8.028 5.404 1.00 0.00 N ATOM 0 H LYS A 87 -5.938 10.569 3.489 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.831 9.392 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.771 9.403 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.782 8.046 4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.275 10.055 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.051 10.927 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.260 10.082 5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.371 8.746 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.343 7.450 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.466 8.834 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.973 7.390 4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.834 8.899 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.015 7.559 6.266 1.00 0.00 H new ATOM 1308 N THR A 88 -6.442 7.572 2.808 1.00 0.00 N ATOM 1309 CA THR A 88 -7.151 6.330 2.530 1.00 0.00 C ATOM 1310 C THR A 88 -8.042 6.469 1.300 1.00 0.00 C ATOM 1311 O THR A 88 -8.211 5.521 0.534 1.00 0.00 O ATOM 1312 CB THR A 88 -8.014 5.895 3.729 1.00 0.00 C ATOM 1313 OG1 THR A 88 -9.144 6.764 3.860 1.00 0.00 O ATOM 1314 CG2 THR A 88 -7.202 5.912 5.015 1.00 0.00 C ATOM 0 H THR A 88 -6.934 8.206 3.438 1.00 0.00 H new ATOM 0 HA THR A 88 -6.394 5.569 2.342 1.00 0.00 H new ATOM 0 HB THR A 88 -8.359 4.877 3.550 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.901 7.535 4.414 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.833 5.601 5.848 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.359 5.227 4.922 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.831 6.920 5.198 1.00 0.00 H new ATOM 1322 N GLY A 89 -8.609 7.658 1.117 1.00 0.00 N ATOM 1323 CA GLY A 89 -9.475 7.898 -0.022 1.00 0.00 C ATOM 1324 C GLY A 89 -10.921 7.544 0.264 1.00 0.00 C ATOM 1325 O GLY A 89 -11.712 7.340 -0.657 1.00 0.00 O ATOM 0 H GLY A 89 -8.484 8.458 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.411 8.948 -0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.122 7.314 -0.872 1.00 0.00 H new ATOM 1329 N LYS A 90 -11.268 7.470 1.545 1.00 0.00 N ATOM 1330 CA LYS A 90 -12.628 7.137 1.951 1.00 0.00 C ATOM 1331 C LYS A 90 -12.827 7.387 3.443 1.00 0.00 C ATOM 1332 O LYS A 90 -11.875 7.688 4.164 1.00 0.00 O ATOM 1333 CB LYS A 90 -12.937 5.675 1.623 1.00 0.00 C ATOM 1334 CG LYS A 90 -12.066 4.685 2.376 1.00 0.00 C ATOM 1335 CD LYS A 90 -10.822 4.320 1.582 1.00 0.00 C ATOM 1336 CE LYS A 90 -11.061 3.105 0.699 1.00 0.00 C ATOM 1337 NZ LYS A 90 -9.993 2.947 -0.327 1.00 0.00 N ATOM 0 H LYS A 90 -10.626 7.636 2.320 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.313 7.780 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.983 5.473 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.809 5.517 0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.774 5.112 3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.640 3.783 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.522 5.167 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.999 4.117 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.105 2.209 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.028 3.199 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.410 3.023 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.279 3.692 -0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.544 2.015 -0.220 1.00 0.00 H new