USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 562 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -145:sc= 0.445 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -7:sc= 1.16 USER MOD Single : A 19 GLN : amide:sc= -0.955 K(o=-0.95,f=-0.14) USER MOD Single : A 20 MET CE :methyl 150:sc= -2.42 (180deg=-5.66!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.809 X(o=-0.81,f=-0.46) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -118:sc= -1.81! USER MOD Single : A 44 LYS NZ :NH3+ -137:sc= -0.136 (180deg=-0.526) USER MOD Single : A 49 THR OG1 : rot -118:sc= -0.505 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -15.4! C(o=-15!,f=-7.4!) USER MOD Single : A 67 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.24) USER MOD Single : A 71 CYS SG : rot 180:sc=-0.00235 USER MOD Single : A 72 MET CE :methyl -147:sc= 0 (180deg=-0.904) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -25.915 -13.197 4.326 1.00 0.00 N ATOM 2 CA ALA A 1 -25.135 -12.115 3.741 1.00 0.00 C ATOM 3 C ALA A 1 -25.636 -10.756 4.217 1.00 0.00 C ATOM 4 O ALA A 1 -26.635 -10.239 3.714 1.00 0.00 O ATOM 5 CB ALA A 1 -25.180 -12.193 2.221 1.00 0.00 C ATOM 0 H1 ALA A 1 -25.552 -14.110 3.985 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.838 -13.159 5.362 1.00 0.00 H new ATOM 0 H3 ALA A 1 -26.912 -13.095 4.049 1.00 0.00 H new ATOM 0 HA ALA A 1 -24.102 -12.227 4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -24.593 -11.378 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -24.767 -13.147 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -26.213 -12.110 1.883 1.00 0.00 H new ATOM 11 N LEU A 2 -24.938 -10.181 5.191 1.00 0.00 N ATOM 12 CA LEU A 2 -25.314 -8.881 5.737 1.00 0.00 C ATOM 13 C LEU A 2 -24.084 -8.011 5.967 1.00 0.00 C ATOM 14 O LEU A 2 -23.924 -6.965 5.338 1.00 0.00 O ATOM 15 CB LEU A 2 -26.080 -9.059 7.050 1.00 0.00 C ATOM 16 CG LEU A 2 -26.360 -7.782 7.841 1.00 0.00 C ATOM 17 CD1 LEU A 2 -27.808 -7.350 7.665 1.00 0.00 C ATOM 18 CD2 LEU A 2 -26.037 -7.986 9.314 1.00 0.00 C ATOM 0 H LEU A 2 -24.109 -10.594 5.619 1.00 0.00 H new ATOM 0 HA LEU A 2 -25.958 -8.383 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -27.032 -9.542 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -25.516 -9.741 7.687 1.00 0.00 H new ATOM 0 HG LEU A 2 -25.718 -6.990 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -27.988 -6.439 8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -28.006 -7.162 6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -28.469 -8.139 8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -26.242 -7.067 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -26.653 -8.792 9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -24.984 -8.246 9.423 1.00 0.00 H new ATOM 30 N ASP A 3 -23.215 -8.451 6.871 1.00 0.00 N ATOM 31 CA ASP A 3 -21.995 -7.714 7.182 1.00 0.00 C ATOM 32 C ASP A 3 -20.762 -8.577 6.936 1.00 0.00 C ATOM 33 O ASP A 3 -20.059 -8.978 7.864 1.00 0.00 O ATOM 34 CB ASP A 3 -22.018 -7.238 8.635 1.00 0.00 C ATOM 35 CG ASP A 3 -21.962 -8.388 9.622 1.00 0.00 C ATOM 36 OD1 ASP A 3 -22.912 -9.199 9.644 1.00 0.00 O ATOM 37 OD2 ASP A 3 -20.967 -8.477 10.371 1.00 0.00 O ATOM 0 H ASP A 3 -23.333 -9.314 7.401 1.00 0.00 H new ATOM 0 HA ASP A 3 -21.946 -6.846 6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.173 -6.572 8.809 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -22.923 -6.657 8.810 1.00 0.00 H new ATOM 42 N PRO A 4 -20.491 -8.872 5.655 1.00 0.00 N ATOM 43 CA PRO A 4 -19.342 -9.691 5.257 1.00 0.00 C ATOM 44 C PRO A 4 -18.015 -8.971 5.474 1.00 0.00 C ATOM 45 O PRO A 4 -17.971 -7.744 5.565 1.00 0.00 O ATOM 46 CB PRO A 4 -19.580 -9.936 3.766 1.00 0.00 C ATOM 47 CG PRO A 4 -20.419 -8.786 3.323 1.00 0.00 C ATOM 48 CD PRO A 4 -21.287 -8.429 4.498 1.00 0.00 C ATOM 0 HA PRO A 4 -19.269 -10.605 5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -18.640 -9.975 3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.088 -10.885 3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -19.798 -7.941 3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.025 -9.056 2.458 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -21.491 -7.359 4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.251 -8.936 4.455 1.00 0.00 H new ATOM 56 N LEU A 5 -16.936 -9.742 5.556 1.00 0.00 N ATOM 57 CA LEU A 5 -15.607 -9.178 5.761 1.00 0.00 C ATOM 58 C LEU A 5 -15.005 -8.708 4.441 1.00 0.00 C ATOM 59 O LEU A 5 -14.487 -7.596 4.344 1.00 0.00 O ATOM 60 CB LEU A 5 -14.688 -10.211 6.415 1.00 0.00 C ATOM 61 CG LEU A 5 -15.042 -10.616 7.846 1.00 0.00 C ATOM 62 CD1 LEU A 5 -15.581 -12.038 7.881 1.00 0.00 C ATOM 63 CD2 LEU A 5 -13.829 -10.481 8.754 1.00 0.00 C ATOM 0 H LEU A 5 -16.956 -10.759 5.484 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.703 -8.317 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.684 -11.108 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.672 -9.817 6.411 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.820 -9.946 8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.827 -12.309 8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.477 -12.103 7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.825 -12.723 7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.100 -10.773 9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.029 -11.127 8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.488 -9.446 8.754 1.00 0.00 H new ATOM 75 N VAL A 6 -15.079 -9.562 3.425 1.00 0.00 N ATOM 76 CA VAL A 6 -14.545 -9.234 2.109 1.00 0.00 C ATOM 77 C VAL A 6 -14.701 -7.747 1.808 1.00 0.00 C ATOM 78 O VAL A 6 -15.740 -7.309 1.315 1.00 0.00 O ATOM 79 CB VAL A 6 -15.240 -10.047 1.002 1.00 0.00 C ATOM 80 CG1 VAL A 6 -16.753 -9.947 1.136 1.00 0.00 C ATOM 81 CG2 VAL A 6 -14.787 -9.573 -0.371 1.00 0.00 C ATOM 0 H VAL A 6 -15.504 -10.487 3.489 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.485 -9.489 2.125 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.957 -11.094 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -17.227 -10.528 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -17.059 -10.338 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -17.058 -8.904 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.288 -10.159 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.039 -8.520 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.708 -9.701 -0.462 1.00 0.00 H new ATOM 91 N SER A 7 -13.661 -6.976 2.108 1.00 0.00 N ATOM 92 CA SER A 7 -13.684 -5.537 1.872 1.00 0.00 C ATOM 93 C SER A 7 -12.371 -5.067 1.252 1.00 0.00 C ATOM 94 O SER A 7 -11.688 -5.827 0.566 1.00 0.00 O ATOM 95 CB SER A 7 -13.939 -4.789 3.182 1.00 0.00 C ATOM 96 OG SER A 7 -14.601 -3.558 2.946 1.00 0.00 O ATOM 0 H SER A 7 -12.792 -7.323 2.515 1.00 0.00 H new ATOM 0 HA SER A 7 -14.493 -5.321 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.542 -5.408 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.992 -4.605 3.690 1.00 0.00 H new ATOM 0 HG SER A 7 -14.280 -2.887 3.584 1.00 0.00 H new ATOM 102 N CYS A 8 -12.025 -3.808 1.500 1.00 0.00 N ATOM 103 CA CYS A 8 -10.795 -3.234 0.967 1.00 0.00 C ATOM 104 C CYS A 8 -10.749 -3.362 -0.553 1.00 0.00 C ATOM 105 O CYS A 8 -11.478 -4.160 -1.143 1.00 0.00 O ATOM 106 CB CYS A 8 -9.576 -3.923 1.585 1.00 0.00 C ATOM 107 SG CYS A 8 -8.016 -3.606 0.700 1.00 0.00 S ATOM 0 H CYS A 8 -12.579 -3.166 2.067 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.776 -2.175 1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.469 -3.592 2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.754 -4.998 1.612 1.00 0.00 H new ATOM 112 N LYS A 9 -9.887 -2.570 -1.182 1.00 0.00 N ATOM 113 CA LYS A 9 -9.743 -2.595 -2.633 1.00 0.00 C ATOM 114 C LYS A 9 -8.279 -2.462 -3.037 1.00 0.00 C ATOM 115 O LYS A 9 -7.922 -1.605 -3.848 1.00 0.00 O ATOM 116 CB LYS A 9 -10.562 -1.468 -3.266 1.00 0.00 C ATOM 117 CG LYS A 9 -11.615 -0.886 -2.339 1.00 0.00 C ATOM 118 CD LYS A 9 -12.288 0.331 -2.952 1.00 0.00 C ATOM 119 CE LYS A 9 -13.759 0.405 -2.574 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.583 -0.550 -3.368 1.00 0.00 N ATOM 0 H LYS A 9 -9.277 -1.903 -0.709 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.115 -3.554 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.887 -0.672 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.050 -1.845 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.366 -1.645 -2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.153 -0.609 -1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.780 1.236 -2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.192 0.293 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.873 0.188 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.125 1.420 -2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.580 -0.470 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.494 -0.327 -4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.251 -1.521 -3.197 1.00 0.00 H new ATOM 134 N LEU A 10 -7.433 -3.314 -2.467 1.00 0.00 N ATOM 135 CA LEU A 10 -6.006 -3.292 -2.769 1.00 0.00 C ATOM 136 C LEU A 10 -5.423 -4.702 -2.746 1.00 0.00 C ATOM 137 O LEU A 10 -4.550 -5.038 -3.546 1.00 0.00 O ATOM 138 CB LEU A 10 -5.266 -2.405 -1.768 1.00 0.00 C ATOM 139 CG LEU A 10 -5.333 -0.900 -2.027 1.00 0.00 C ATOM 140 CD1 LEU A 10 -4.798 -0.127 -0.831 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.557 -0.540 -3.286 1.00 0.00 C ATOM 0 H LEU A 10 -7.711 -4.028 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.878 -2.882 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.668 -2.600 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.218 -2.704 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.377 -0.623 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.854 0.942 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.396 -0.361 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.760 -0.408 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.616 0.535 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.514 -0.832 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.985 -1.065 -4.140 1.00 0.00 H new ATOM 153 N CYS A 11 -5.914 -5.524 -1.824 1.00 0.00 N ATOM 154 CA CYS A 11 -5.443 -6.898 -1.696 1.00 0.00 C ATOM 155 C CYS A 11 -6.598 -7.884 -1.850 1.00 0.00 C ATOM 156 O CYS A 11 -6.385 -9.089 -1.992 1.00 0.00 O ATOM 157 CB CYS A 11 -4.761 -7.102 -0.342 1.00 0.00 C ATOM 158 SG CYS A 11 -5.887 -6.972 1.085 1.00 0.00 S ATOM 0 H CYS A 11 -6.638 -5.262 -1.155 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.720 -7.084 -2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.288 -8.084 -0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.966 -6.364 -0.233 1.00 0.00 H new ATOM 163 N LEU A 12 -7.820 -7.365 -1.821 1.00 0.00 N ATOM 164 CA LEU A 12 -9.010 -8.198 -1.958 1.00 0.00 C ATOM 165 C LEU A 12 -9.053 -9.267 -0.870 1.00 0.00 C ATOM 166 O LEU A 12 -9.110 -10.461 -1.159 1.00 0.00 O ATOM 167 CB LEU A 12 -9.038 -8.858 -3.338 1.00 0.00 C ATOM 168 CG LEU A 12 -9.306 -7.928 -4.521 1.00 0.00 C ATOM 169 CD1 LEU A 12 -10.779 -7.951 -4.895 1.00 0.00 C ATOM 170 CD2 LEU A 12 -8.859 -6.510 -4.197 1.00 0.00 C ATOM 0 H LEU A 12 -8.013 -6.370 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.886 -7.559 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.081 -9.354 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.803 -9.635 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.730 -8.283 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.951 -7.283 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.069 -8.965 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.376 -7.621 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.057 -5.862 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.408 -6.145 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.791 -6.506 -3.979 1.00 0.00 H new ATOM 182 N GLY A 13 -9.029 -8.828 0.385 1.00 0.00 N ATOM 183 CA GLY A 13 -9.069 -9.758 1.498 1.00 0.00 C ATOM 184 C GLY A 13 -10.428 -9.804 2.167 1.00 0.00 C ATOM 185 O GLY A 13 -11.445 -10.018 1.508 1.00 0.00 O ATOM 0 H GLY A 13 -8.983 -7.844 0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.808 -10.755 1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.315 -9.473 2.232 1.00 0.00 H new ATOM 189 N GLU A 14 -10.447 -9.603 3.481 1.00 0.00 N ATOM 190 CA GLU A 14 -11.692 -9.625 4.240 1.00 0.00 C ATOM 191 C GLU A 14 -11.487 -9.054 5.640 1.00 0.00 C ATOM 192 O GLU A 14 -10.679 -9.563 6.417 1.00 0.00 O ATOM 193 CB GLU A 14 -12.232 -11.054 4.334 1.00 0.00 C ATOM 194 CG GLU A 14 -11.148 -12.118 4.303 1.00 0.00 C ATOM 195 CD GLU A 14 -11.712 -13.522 4.204 1.00 0.00 C ATOM 196 OE1 GLU A 14 -11.800 -14.200 5.249 1.00 0.00 O ATOM 197 OE2 GLU A 14 -12.064 -13.942 3.082 1.00 0.00 O ATOM 0 H GLU A 14 -9.614 -9.423 4.042 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.418 -9.003 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.804 -11.157 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.923 -11.227 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.488 -11.935 3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.539 -12.038 5.204 1.00 0.00 H new ATOM 204 N TYR A 15 -12.222 -7.993 5.953 1.00 0.00 N ATOM 205 CA TYR A 15 -12.118 -7.349 7.257 1.00 0.00 C ATOM 206 C TYR A 15 -13.375 -6.543 7.568 1.00 0.00 C ATOM 207 O TYR A 15 -14.115 -6.129 6.676 1.00 0.00 O ATOM 208 CB TYR A 15 -10.890 -6.438 7.304 1.00 0.00 C ATOM 209 CG TYR A 15 -9.811 -6.825 6.319 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.742 -6.229 5.065 1.00 0.00 C ATOM 211 CD2 TYR A 15 -8.862 -7.787 6.640 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.758 -6.580 4.161 1.00 0.00 C ATOM 213 CE2 TYR A 15 -7.873 -8.143 5.743 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.826 -7.536 4.505 1.00 0.00 C ATOM 215 OH TYR A 15 -6.844 -7.889 3.608 1.00 0.00 O ATOM 0 H TYR A 15 -12.896 -7.561 5.322 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.012 -8.129 8.011 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.201 -5.412 7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.474 -6.455 8.311 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.470 -5.479 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -8.898 -8.265 7.608 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.719 -6.108 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.142 -8.892 6.009 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.021 -7.461 2.744 1.00 0.00 H new ATOM 225 N PRO A 16 -13.624 -6.314 8.866 1.00 0.00 N ATOM 226 CA PRO A 16 -14.791 -5.555 9.326 1.00 0.00 C ATOM 227 C PRO A 16 -14.691 -4.073 8.984 1.00 0.00 C ATOM 228 O PRO A 16 -13.883 -3.673 8.146 1.00 0.00 O ATOM 229 CB PRO A 16 -14.768 -5.756 10.844 1.00 0.00 C ATOM 230 CG PRO A 16 -13.341 -6.036 11.167 1.00 0.00 C ATOM 231 CD PRO A 16 -12.785 -6.778 9.984 1.00 0.00 C ATOM 0 HA PRO A 16 -15.711 -5.894 8.850 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.125 -4.869 11.366 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.411 -6.583 11.144 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.792 -5.111 11.340 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.257 -6.632 12.076 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.733 -6.544 9.821 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.855 -7.858 10.118 1.00 0.00 H new ATOM 239 N VAL A 17 -15.516 -3.262 9.636 1.00 0.00 N ATOM 240 CA VAL A 17 -15.521 -1.823 9.402 1.00 0.00 C ATOM 241 C VAL A 17 -14.775 -1.084 10.508 1.00 0.00 C ATOM 242 O VAL A 17 -14.457 0.097 10.373 1.00 0.00 O ATOM 243 CB VAL A 17 -16.955 -1.273 9.307 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.025 0.139 9.871 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.445 -1.305 7.867 1.00 0.00 C ATOM 0 H VAL A 17 -16.191 -3.577 10.332 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.014 -1.656 8.452 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.609 -1.910 9.903 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.047 0.511 9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.719 0.128 10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.359 0.790 9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.461 -0.912 7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.790 -0.694 7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.436 -2.332 7.502 1.00 0.00 H new ATOM 255 N GLU A 18 -14.500 -1.789 11.601 1.00 0.00 N ATOM 256 CA GLU A 18 -13.794 -1.198 12.731 1.00 0.00 C ATOM 257 C GLU A 18 -12.296 -1.483 12.646 1.00 0.00 C ATOM 258 O GLU A 18 -11.540 -1.162 13.562 1.00 0.00 O ATOM 259 CB GLU A 18 -14.351 -1.737 14.050 1.00 0.00 C ATOM 260 CG GLU A 18 -15.078 -0.691 14.878 1.00 0.00 C ATOM 261 CD GLU A 18 -15.110 -1.033 16.354 1.00 0.00 C ATOM 262 OE1 GLU A 18 -14.736 -2.171 16.706 1.00 0.00 O ATOM 263 OE2 GLU A 18 -15.508 -0.163 17.157 1.00 0.00 O ATOM 0 H GLU A 18 -14.755 -2.768 11.727 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.945 -0.119 12.695 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.035 -2.559 13.837 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.532 -2.149 14.639 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.592 0.275 14.743 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.099 -0.588 14.511 1.00 0.00 H new ATOM 270 N GLN A 19 -11.878 -2.088 11.538 1.00 0.00 N ATOM 271 CA GLN A 19 -10.472 -2.418 11.334 1.00 0.00 C ATOM 272 C GLN A 19 -9.894 -1.630 10.163 1.00 0.00 C ATOM 273 O GLN A 19 -8.716 -1.273 10.164 1.00 0.00 O ATOM 274 CB GLN A 19 -10.310 -3.918 11.086 1.00 0.00 C ATOM 275 CG GLN A 19 -10.191 -4.737 12.360 1.00 0.00 C ATOM 276 CD GLN A 19 -10.043 -6.221 12.090 1.00 0.00 C ATOM 277 OE1 GLN A 19 -9.165 -6.642 11.336 1.00 0.00 O ATOM 278 NE2 GLN A 19 -10.904 -7.023 12.704 1.00 0.00 N ATOM 0 H GLN A 19 -12.492 -2.359 10.770 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.925 -2.146 12.237 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.164 -4.277 10.512 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.423 -4.083 10.474 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.331 -4.388 12.932 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.073 -4.571 12.978 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.616 -6.631 13.321 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.854 -8.031 12.559 1.00 0.00 H new ATOM 287 N MET A 20 -10.730 -1.364 9.165 1.00 0.00 N ATOM 288 CA MET A 20 -10.301 -0.618 7.987 1.00 0.00 C ATOM 289 C MET A 20 -10.106 0.857 8.318 1.00 0.00 C ATOM 290 O MET A 20 -10.398 1.298 9.431 1.00 0.00 O ATOM 291 CB MET A 20 -11.324 -0.769 6.860 1.00 0.00 C ATOM 292 CG MET A 20 -12.221 -1.986 7.013 1.00 0.00 C ATOM 293 SD MET A 20 -12.705 -2.696 5.427 1.00 0.00 S ATOM 294 CE MET A 20 -11.103 -3.017 4.696 1.00 0.00 C ATOM 0 H MET A 20 -11.708 -1.654 9.148 1.00 0.00 H new ATOM 0 HA MET A 20 -9.346 -1.027 7.658 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.944 0.127 6.821 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.797 -0.834 5.908 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.703 -2.743 7.602 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.115 -1.706 7.569 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.173 -3.877 4.030 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.781 -2.144 4.128 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.379 -3.225 5.484 1.00 0.00 H new ATOM 304 N THR A 21 -9.611 1.618 7.348 1.00 0.00 N ATOM 305 CA THR A 21 -9.376 3.044 7.538 1.00 0.00 C ATOM 306 C THR A 21 -9.920 3.851 6.365 1.00 0.00 C ATOM 307 O THR A 21 -9.693 3.510 5.204 1.00 0.00 O ATOM 308 CB THR A 21 -7.875 3.349 7.706 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.397 2.792 8.935 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.624 4.849 7.691 1.00 0.00 C ATOM 0 H THR A 21 -9.365 1.270 6.421 1.00 0.00 H new ATOM 0 HA THR A 21 -9.901 3.333 8.449 1.00 0.00 H new ATOM 0 HB THR A 21 -7.339 2.898 6.871 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.442 2.989 9.034 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.558 5.041 7.811 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.963 5.265 6.742 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.171 5.318 8.509 1.00 0.00 H new ATOM 318 N THR A 22 -10.637 4.927 6.675 1.00 0.00 N ATOM 319 CA THR A 22 -11.213 5.784 5.646 1.00 0.00 C ATOM 320 C THR A 22 -10.191 6.792 5.134 1.00 0.00 C ATOM 321 O THR A 22 -9.583 7.525 5.916 1.00 0.00 O ATOM 322 CB THR A 22 -12.446 6.542 6.172 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.331 5.636 6.840 1.00 0.00 O ATOM 324 CG2 THR A 22 -13.184 7.232 5.034 1.00 0.00 C ATOM 0 H THR A 22 -10.833 5.226 7.631 1.00 0.00 H new ATOM 0 HA THR A 22 -11.518 5.133 4.827 1.00 0.00 H new ATOM 0 HB THR A 22 -12.104 7.301 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.111 6.127 7.173 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.051 7.761 5.430 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.517 7.943 4.546 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.513 6.487 4.309 1.00 0.00 H new ATOM 332 N ILE A 23 -10.006 6.825 3.819 1.00 0.00 N ATOM 333 CA ILE A 23 -9.057 7.745 3.203 1.00 0.00 C ATOM 334 C ILE A 23 -9.096 9.110 3.883 1.00 0.00 C ATOM 335 O ILE A 23 -8.067 9.765 4.040 1.00 0.00 O ATOM 336 CB ILE A 23 -9.342 7.925 1.701 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.219 6.585 0.972 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.391 8.950 1.100 1.00 0.00 C ATOM 339 CD1 ILE A 23 -7.805 6.052 0.922 1.00 0.00 C ATOM 0 H ILE A 23 -10.501 6.225 3.159 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.066 7.307 3.327 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.362 8.290 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.858 5.852 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.592 6.699 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.605 9.066 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.523 9.908 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.363 8.611 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.794 5.100 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.165 6.765 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.435 5.906 1.937 1.00 0.00 H new ATOM 351 N ALA A 24 -10.291 9.530 4.286 1.00 0.00 N ATOM 352 CA ALA A 24 -10.464 10.815 4.953 1.00 0.00 C ATOM 353 C ALA A 24 -10.570 11.950 3.939 1.00 0.00 C ATOM 354 O ALA A 24 -10.254 13.099 4.246 1.00 0.00 O ATOM 355 CB ALA A 24 -9.312 11.071 5.913 1.00 0.00 C ATOM 0 H ALA A 24 -11.153 8.999 4.162 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.395 10.779 5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.454 12.034 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.282 10.282 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.373 11.081 5.360 1.00 0.00 H new ATOM 361 N GLN A 25 -11.016 11.619 2.732 1.00 0.00 N ATOM 362 CA GLN A 25 -11.163 12.611 1.673 1.00 0.00 C ATOM 363 C GLN A 25 -12.205 12.167 0.652 1.00 0.00 C ATOM 364 O GLN A 25 -13.224 12.832 0.460 1.00 0.00 O ATOM 365 CB GLN A 25 -9.820 12.850 0.980 1.00 0.00 C ATOM 366 CG GLN A 25 -9.110 14.109 1.447 1.00 0.00 C ATOM 367 CD GLN A 25 -9.983 15.344 1.345 1.00 0.00 C ATOM 368 OE1 GLN A 25 -10.117 15.938 0.274 1.00 0.00 O ATOM 369 NE2 GLN A 25 -10.586 15.739 2.460 1.00 0.00 N ATOM 0 H GLN A 25 -11.282 10.672 2.463 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.501 13.543 2.126 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.172 11.991 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.982 12.912 -0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.791 13.979 2.481 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.209 14.256 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.448 15.218 3.326 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.187 16.563 2.450 1.00 0.00 H new ATOM 378 N CYS A 26 -11.943 11.041 -0.002 1.00 0.00 N ATOM 379 CA CYS A 26 -12.857 10.508 -1.006 1.00 0.00 C ATOM 380 C CYS A 26 -13.918 9.623 -0.359 1.00 0.00 C ATOM 381 O CYS A 26 -14.974 9.376 -0.942 1.00 0.00 O ATOM 382 CB CYS A 26 -12.083 9.710 -2.057 1.00 0.00 C ATOM 383 SG CYS A 26 -10.869 8.544 -1.362 1.00 0.00 S ATOM 0 H CYS A 26 -11.105 10.479 0.145 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.355 11.347 -1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.792 9.156 -2.671 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.565 10.406 -2.717 1.00 0.00 H new ATOM 388 N GLN A 27 -13.631 9.150 0.850 1.00 0.00 N ATOM 389 CA GLN A 27 -14.560 8.292 1.576 1.00 0.00 C ATOM 390 C GLN A 27 -14.530 6.869 1.027 1.00 0.00 C ATOM 391 O GLN A 27 -15.543 6.354 0.554 1.00 0.00 O ATOM 392 CB GLN A 27 -15.980 8.855 1.489 1.00 0.00 C ATOM 393 CG GLN A 27 -16.044 10.367 1.635 1.00 0.00 C ATOM 394 CD GLN A 27 -16.286 10.805 3.065 1.00 0.00 C ATOM 395 OE1 GLN A 27 -17.400 10.700 3.580 1.00 0.00 O ATOM 396 NE2 GLN A 27 -15.240 11.301 3.717 1.00 0.00 N ATOM 0 H GLN A 27 -12.762 9.347 1.347 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.250 8.265 2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.416 8.572 0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.592 8.397 2.266 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.110 10.802 1.279 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.840 10.756 1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.335 11.370 3.252 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.342 11.613 4.683 1.00 0.00 H new ATOM 405 N CYS A 28 -13.362 6.240 1.092 1.00 0.00 N ATOM 406 CA CYS A 28 -13.199 4.877 0.601 1.00 0.00 C ATOM 407 C CYS A 28 -12.909 3.916 1.750 1.00 0.00 C ATOM 408 O CYS A 28 -12.947 4.301 2.919 1.00 0.00 O ATOM 409 CB CYS A 28 -12.068 4.816 -0.429 1.00 0.00 C ATOM 410 SG CYS A 28 -12.507 5.505 -2.057 1.00 0.00 S ATOM 0 H CYS A 28 -12.514 6.653 1.480 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.132 4.574 0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.206 5.356 -0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.763 3.777 -0.556 1.00 0.00 H new ATOM 415 N ILE A 29 -12.616 2.666 1.408 1.00 0.00 N ATOM 416 CA ILE A 29 -12.318 1.650 2.410 1.00 0.00 C ATOM 417 C ILE A 29 -11.081 0.845 2.027 1.00 0.00 C ATOM 418 O ILE A 29 -10.992 0.314 0.919 1.00 0.00 O ATOM 419 CB ILE A 29 -13.504 0.686 2.606 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.792 0.493 4.096 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.215 -0.650 1.940 1.00 0.00 C ATOM 422 CD1 ILE A 29 -15.244 0.197 4.398 1.00 0.00 C ATOM 0 H ILE A 29 -12.579 2.332 0.445 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.130 2.177 3.346 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.387 1.120 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.177 -0.324 4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.493 1.392 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.062 -1.321 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.054 -0.497 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.322 -1.091 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.374 0.072 5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.864 1.024 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.542 -0.719 3.888 1.00 0.00 H new ATOM 434 N PHE A 30 -10.129 0.757 2.949 1.00 0.00 N ATOM 435 CA PHE A 30 -8.896 0.016 2.708 1.00 0.00 C ATOM 436 C PHE A 30 -8.306 -0.497 4.017 1.00 0.00 C ATOM 437 O PHE A 30 -8.127 0.261 4.971 1.00 0.00 O ATOM 438 CB PHE A 30 -7.877 0.901 1.988 1.00 0.00 C ATOM 439 CG PHE A 30 -8.347 1.389 0.648 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.209 0.597 -0.481 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.928 2.641 0.516 1.00 0.00 C ATOM 442 CE1 PHE A 30 -8.641 1.043 -1.716 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.363 3.092 -0.716 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.218 2.292 -1.833 1.00 0.00 C ATOM 0 H PHE A 30 -10.187 1.190 3.871 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.133 -0.840 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.645 1.760 2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.950 0.342 1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.758 -0.381 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.042 3.271 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.527 0.416 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.816 4.068 -0.805 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.556 2.643 -2.797 1.00 0.00 H new ATOM 454 N CYS A 31 -8.004 -1.791 4.056 1.00 0.00 N ATOM 455 CA CYS A 31 -7.434 -2.408 5.248 1.00 0.00 C ATOM 456 C CYS A 31 -6.106 -1.755 5.618 1.00 0.00 C ATOM 457 O CYS A 31 -5.234 -1.570 4.768 1.00 0.00 O ATOM 458 CB CYS A 31 -7.231 -3.908 5.023 1.00 0.00 C ATOM 459 SG CYS A 31 -5.808 -4.315 3.962 1.00 0.00 S ATOM 0 H CYS A 31 -8.145 -2.432 3.276 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.133 -2.261 6.072 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.101 -4.395 5.989 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.134 -4.323 4.576 1.00 0.00 H new ATOM 464 N THR A 32 -5.959 -1.405 6.891 1.00 0.00 N ATOM 465 CA THR A 32 -4.739 -0.770 7.374 1.00 0.00 C ATOM 466 C THR A 32 -3.517 -1.284 6.621 1.00 0.00 C ATOM 467 O THR A 32 -2.739 -0.501 6.073 1.00 0.00 O ATOM 468 CB THR A 32 -4.537 -1.014 8.882 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.796 -0.946 9.561 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.580 0.010 9.472 1.00 0.00 C ATOM 0 H THR A 32 -6.670 -1.551 7.607 1.00 0.00 H new ATOM 0 HA THR A 32 -4.849 0.300 7.198 1.00 0.00 H new ATOM 0 HB THR A 32 -4.107 -2.007 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.660 -1.104 10.519 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.453 -0.182 10.537 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.614 -0.064 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.986 1.012 9.330 1.00 0.00 H new ATOM 478 N LEU A 33 -3.354 -2.602 6.595 1.00 0.00 N ATOM 479 CA LEU A 33 -2.227 -3.220 5.905 1.00 0.00 C ATOM 480 C LEU A 33 -1.918 -2.491 4.603 1.00 0.00 C ATOM 481 O LEU A 33 -0.883 -1.837 4.474 1.00 0.00 O ATOM 482 CB LEU A 33 -2.522 -4.693 5.621 1.00 0.00 C ATOM 483 CG LEU A 33 -2.462 -5.635 6.825 1.00 0.00 C ATOM 484 CD1 LEU A 33 -3.850 -6.157 7.164 1.00 0.00 C ATOM 485 CD2 LEU A 33 -1.509 -6.789 6.552 1.00 0.00 C ATOM 0 H LEU A 33 -3.988 -3.263 7.044 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.354 -3.150 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.515 -4.765 5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.813 -5.047 4.873 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.087 -5.075 7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.788 -6.825 8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.505 -5.319 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.253 -6.701 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.479 -7.449 7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.854 -7.348 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.510 -6.398 6.359 1.00 0.00 H new ATOM 497 N CYS A 34 -2.824 -2.604 3.638 1.00 0.00 N ATOM 498 CA CYS A 34 -2.651 -1.956 2.344 1.00 0.00 C ATOM 499 C CYS A 34 -2.587 -0.439 2.501 1.00 0.00 C ATOM 500 O CYS A 34 -1.565 0.184 2.210 1.00 0.00 O ATOM 501 CB CYS A 34 -3.797 -2.333 1.402 1.00 0.00 C ATOM 502 SG CYS A 34 -4.090 -4.127 1.271 1.00 0.00 S ATOM 0 H CYS A 34 -3.687 -3.140 3.728 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.710 -2.301 1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.711 -1.850 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.583 -1.937 0.409 1.00 0.00 H new ATOM 507 N LEU A 35 -3.685 0.150 2.963 1.00 0.00 N ATOM 508 CA LEU A 35 -3.754 1.594 3.160 1.00 0.00 C ATOM 509 C LEU A 35 -2.515 2.104 3.886 1.00 0.00 C ATOM 510 O LEU A 35 -2.193 3.292 3.830 1.00 0.00 O ATOM 511 CB LEU A 35 -5.011 1.960 3.951 1.00 0.00 C ATOM 512 CG LEU A 35 -5.752 3.216 3.490 1.00 0.00 C ATOM 513 CD1 LEU A 35 -7.050 3.384 4.263 1.00 0.00 C ATOM 514 CD2 LEU A 35 -4.869 4.445 3.652 1.00 0.00 C ATOM 0 H LEU A 35 -4.540 -0.350 3.208 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.798 2.069 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.702 1.118 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.733 2.090 4.997 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.995 3.104 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.563 4.283 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.688 2.516 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.831 3.474 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.412 5.330 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.595 4.561 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.967 4.326 3.052 1.00 0.00 H new ATOM 526 N LYS A 36 -1.820 1.199 4.568 1.00 0.00 N ATOM 527 CA LYS A 36 -0.613 1.556 5.304 1.00 0.00 C ATOM 528 C LYS A 36 0.628 1.372 4.436 1.00 0.00 C ATOM 529 O LYS A 36 1.253 2.346 4.017 1.00 0.00 O ATOM 530 CB LYS A 36 -0.494 0.707 6.571 1.00 0.00 C ATOM 531 CG LYS A 36 0.806 0.922 7.327 1.00 0.00 C ATOM 532 CD LYS A 36 1.363 -0.387 7.863 1.00 0.00 C ATOM 533 CE LYS A 36 1.666 -0.297 9.351 1.00 0.00 C ATOM 534 NZ LYS A 36 0.548 -0.832 10.176 1.00 0.00 N ATOM 0 H LYS A 36 -2.073 0.212 4.626 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.685 2.607 5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.331 0.935 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.578 -0.346 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.539 1.387 6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.637 1.612 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.646 -1.189 7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.272 -0.646 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.578 -0.852 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.853 0.742 9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.792 -0.753 11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.316 -0.286 9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.386 -1.831 9.936 1.00 0.00 H new ATOM 548 N GLN A 37 0.978 0.117 4.170 1.00 0.00 N ATOM 549 CA GLN A 37 2.143 -0.194 3.352 1.00 0.00 C ATOM 550 C GLN A 37 2.237 0.750 2.158 1.00 0.00 C ATOM 551 O GLN A 37 3.316 0.966 1.607 1.00 0.00 O ATOM 552 CB GLN A 37 2.081 -1.643 2.867 1.00 0.00 C ATOM 553 CG GLN A 37 3.388 -2.400 3.040 1.00 0.00 C ATOM 554 CD GLN A 37 3.311 -3.824 2.527 1.00 0.00 C ATOM 555 OE1 GLN A 37 4.022 -4.199 1.595 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.444 -4.625 3.135 1.00 0.00 N ATOM 0 H GLN A 37 0.471 -0.700 4.510 1.00 0.00 H new ATOM 0 HA GLN A 37 3.033 -0.062 3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.294 -2.166 3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.802 -1.653 1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.182 -1.871 2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.659 -2.413 4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.875 -4.271 3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.347 -5.595 2.833 1.00 0.00 H new ATOM 565 N TYR A 38 1.099 1.312 1.762 1.00 0.00 N ATOM 566 CA TYR A 38 1.053 2.231 0.632 1.00 0.00 C ATOM 567 C TYR A 38 1.445 3.641 1.060 1.00 0.00 C ATOM 568 O TYR A 38 2.462 4.177 0.618 1.00 0.00 O ATOM 569 CB TYR A 38 -0.348 2.244 0.015 1.00 0.00 C ATOM 570 CG TYR A 38 -0.873 3.634 -0.264 1.00 0.00 C ATOM 571 CD1 TYR A 38 -2.135 4.020 0.172 1.00 0.00 C ATOM 572 CD2 TYR A 38 -0.110 4.559 -0.964 1.00 0.00 C ATOM 573 CE1 TYR A 38 -2.620 5.289 -0.082 1.00 0.00 C ATOM 574 CE2 TYR A 38 -0.586 5.829 -1.221 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.842 6.190 -0.777 1.00 0.00 C ATOM 576 OH TYR A 38 -2.321 7.455 -1.032 1.00 0.00 O ATOM 0 H TYR A 38 0.197 1.146 2.208 1.00 0.00 H new ATOM 0 HA TYR A 38 1.769 1.885 -0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.331 1.677 -0.916 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.037 1.733 0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.746 3.317 0.718 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.873 4.280 -1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.603 5.573 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.021 6.536 -1.767 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.389 7.590 -2.000 1.00 0.00 H new ATOM 586 N VAL A 39 0.630 4.238 1.924 1.00 0.00 N ATOM 587 CA VAL A 39 0.891 5.586 2.414 1.00 0.00 C ATOM 588 C VAL A 39 2.170 5.632 3.243 1.00 0.00 C ATOM 589 O VAL A 39 3.040 6.471 3.013 1.00 0.00 O ATOM 590 CB VAL A 39 -0.280 6.109 3.268 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.591 5.995 2.505 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.354 5.357 4.588 1.00 0.00 C ATOM 0 H VAL A 39 -0.216 3.809 2.299 1.00 0.00 H new ATOM 0 HA VAL A 39 1.006 6.224 1.538 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.106 7.163 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.406 6.369 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.531 6.583 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.776 4.951 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.187 5.739 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.504 4.295 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.576 5.497 5.139 1.00 0.00 H new ATOM 602 N GLU A 40 2.277 4.722 4.207 1.00 0.00 N ATOM 603 CA GLU A 40 3.450 4.658 5.070 1.00 0.00 C ATOM 604 C GLU A 40 4.711 5.047 4.303 1.00 0.00 C ATOM 605 O GLU A 40 5.455 5.936 4.718 1.00 0.00 O ATOM 606 CB GLU A 40 3.607 3.253 5.653 1.00 0.00 C ATOM 607 CG GLU A 40 4.268 3.232 7.022 1.00 0.00 C ATOM 608 CD GLU A 40 5.605 2.516 7.011 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.642 3.200 6.891 1.00 0.00 O ATOM 610 OE2 GLU A 40 5.613 1.272 7.125 1.00 0.00 O ATOM 0 H GLU A 40 1.566 4.020 4.409 1.00 0.00 H new ATOM 0 HA GLU A 40 3.308 5.367 5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.624 2.787 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.196 2.647 4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.411 4.256 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.604 2.744 7.735 1.00 0.00 H new ATOM 617 N LEU A 41 4.946 4.372 3.182 1.00 0.00 N ATOM 618 CA LEU A 41 6.117 4.644 2.357 1.00 0.00 C ATOM 619 C LEU A 41 6.109 6.086 1.858 1.00 0.00 C ATOM 620 O LEU A 41 6.981 6.881 2.209 1.00 0.00 O ATOM 621 CB LEU A 41 6.162 3.682 1.168 1.00 0.00 C ATOM 622 CG LEU A 41 6.849 2.339 1.418 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.349 2.530 1.586 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.256 1.656 2.641 1.00 0.00 C ATOM 0 H LEU A 41 4.341 3.633 2.825 1.00 0.00 H new ATOM 0 HA LEU A 41 7.005 4.496 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.140 3.490 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.671 4.180 0.342 1.00 0.00 H new ATOM 0 HG LEU A 41 6.680 1.699 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.821 1.564 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.763 2.976 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.539 3.188 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.757 0.702 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.394 2.292 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.191 1.484 2.481 1.00 0.00 H new ATOM 636 N LEU A 42 5.116 6.417 1.039 1.00 0.00 N ATOM 637 CA LEU A 42 4.992 7.765 0.494 1.00 0.00 C ATOM 638 C LEU A 42 4.936 8.801 1.610 1.00 0.00 C ATOM 639 O LEU A 42 5.844 9.620 1.756 1.00 0.00 O ATOM 640 CB LEU A 42 3.739 7.869 -0.378 1.00 0.00 C ATOM 641 CG LEU A 42 3.782 7.117 -1.709 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.378 6.749 -2.160 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.485 7.952 -2.770 1.00 0.00 C ATOM 0 H LEU A 42 4.386 5.771 0.738 1.00 0.00 H new ATOM 0 HA LEU A 42 5.872 7.966 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.889 7.501 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.551 8.923 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 42 4.347 6.196 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.429 6.215 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.910 6.112 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.787 7.656 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.507 7.402 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.947 8.890 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.505 8.163 -2.450 1.00 0.00 H new ATOM 655 N ILE A 43 3.866 8.759 2.397 1.00 0.00 N ATOM 656 CA ILE A 43 3.694 9.693 3.503 1.00 0.00 C ATOM 657 C ILE A 43 5.021 9.968 4.201 1.00 0.00 C ATOM 658 O ILE A 43 5.215 11.029 4.795 1.00 0.00 O ATOM 659 CB ILE A 43 2.684 9.161 4.537 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.600 10.206 4.808 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.395 8.782 5.827 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.377 10.051 3.930 1.00 0.00 C ATOM 0 H ILE A 43 3.105 8.088 2.289 1.00 0.00 H new ATOM 0 HA ILE A 43 3.311 10.620 3.077 1.00 0.00 H new ATOM 0 HB ILE A 43 2.209 8.268 4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.297 10.141 5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.020 11.201 4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.667 8.408 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.133 8.007 5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.895 9.659 6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.349 10.825 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.666 10.146 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.068 9.070 4.096 1.00 0.00 H new ATOM 674 N LYS A 44 5.935 9.006 4.125 1.00 0.00 N ATOM 675 CA LYS A 44 7.246 9.145 4.746 1.00 0.00 C ATOM 676 C LYS A 44 8.154 10.039 3.909 1.00 0.00 C ATOM 677 O LYS A 44 8.845 10.908 4.440 1.00 0.00 O ATOM 678 CB LYS A 44 7.895 7.771 4.928 1.00 0.00 C ATOM 679 CG LYS A 44 7.970 7.320 6.376 1.00 0.00 C ATOM 680 CD LYS A 44 6.624 7.442 7.070 1.00 0.00 C ATOM 681 CE LYS A 44 5.969 6.083 7.262 1.00 0.00 C ATOM 682 NZ LYS A 44 6.092 5.602 8.666 1.00 0.00 N ATOM 0 H LYS A 44 5.791 8.121 3.639 1.00 0.00 H new ATOM 0 HA LYS A 44 7.109 9.609 5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.332 7.034 4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.902 7.796 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.309 6.285 6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.709 7.920 6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.756 7.923 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.967 8.083 6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.915 6.146 6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.429 5.360 6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.342 4.592 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.834 6.143 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.186 5.735 9.159 1.00 0.00 H new ATOM 696 N GLU A 45 8.144 9.822 2.597 1.00 0.00 N ATOM 697 CA GLU A 45 8.967 10.611 1.687 1.00 0.00 C ATOM 698 C GLU A 45 8.374 12.002 1.485 1.00 0.00 C ATOM 699 O GLU A 45 9.015 13.011 1.780 1.00 0.00 O ATOM 700 CB GLU A 45 9.099 9.901 0.338 1.00 0.00 C ATOM 701 CG GLU A 45 10.491 9.994 -0.265 1.00 0.00 C ATOM 702 CD GLU A 45 11.245 11.226 0.195 1.00 0.00 C ATOM 703 OE1 GLU A 45 10.862 12.343 -0.213 1.00 0.00 O ATOM 704 OE2 GLU A 45 12.218 11.075 0.963 1.00 0.00 O ATOM 0 H GLU A 45 7.576 9.108 2.141 1.00 0.00 H new ATOM 0 HA GLU A 45 9.956 10.717 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.835 8.851 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.380 10.329 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.059 9.104 0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.412 10.006 -1.352 1.00 0.00 H new ATOM 711 N GLY A 46 7.145 12.049 0.981 1.00 0.00 N ATOM 712 CA GLY A 46 6.486 13.321 0.748 1.00 0.00 C ATOM 713 C GLY A 46 7.248 14.199 -0.225 1.00 0.00 C ATOM 714 O GLY A 46 7.636 15.319 0.112 1.00 0.00 O ATOM 0 H GLY A 46 6.593 11.229 0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.483 13.142 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.373 13.847 1.696 1.00 0.00 H new ATOM 718 N LEU A 47 7.467 13.691 -1.432 1.00 0.00 N ATOM 719 CA LEU A 47 8.190 14.436 -2.456 1.00 0.00 C ATOM 720 C LEU A 47 7.224 15.171 -3.380 1.00 0.00 C ATOM 721 O LEU A 47 7.555 16.219 -3.933 1.00 0.00 O ATOM 722 CB LEU A 47 9.075 13.493 -3.273 1.00 0.00 C ATOM 723 CG LEU A 47 8.359 12.334 -3.966 1.00 0.00 C ATOM 724 CD1 LEU A 47 9.070 11.966 -5.260 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.274 11.129 -3.041 1.00 0.00 C ATOM 0 H LEU A 47 7.154 12.766 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 47 8.819 15.173 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.593 14.079 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.838 13.080 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 47 7.345 12.652 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.547 11.139 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.078 12.827 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.095 11.668 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.761 10.314 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.279 10.810 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.721 11.399 -2.142 1.00 0.00 H new ATOM 737 N GLU A 48 6.027 14.616 -3.539 1.00 0.00 N ATOM 738 CA GLU A 48 5.011 15.220 -4.393 1.00 0.00 C ATOM 739 C GLU A 48 3.826 14.278 -4.579 1.00 0.00 C ATOM 740 O GLU A 48 2.704 14.716 -4.834 1.00 0.00 O ATOM 741 CB GLU A 48 5.609 15.579 -5.755 1.00 0.00 C ATOM 742 CG GLU A 48 6.621 14.567 -6.263 1.00 0.00 C ATOM 743 CD GLU A 48 6.684 14.513 -7.778 1.00 0.00 C ATOM 744 OE1 GLU A 48 7.725 14.076 -8.312 1.00 0.00 O ATOM 745 OE2 GLU A 48 5.693 14.907 -8.426 1.00 0.00 O ATOM 0 H GLU A 48 5.737 13.749 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 48 4.657 16.129 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.803 15.671 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.088 16.556 -5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.607 14.817 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.366 13.580 -5.878 1.00 0.00 H new ATOM 752 N THR A 49 4.083 12.979 -4.450 1.00 0.00 N ATOM 753 CA THR A 49 3.038 11.975 -4.605 1.00 0.00 C ATOM 754 C THR A 49 1.741 12.423 -3.943 1.00 0.00 C ATOM 755 O THR A 49 0.657 11.975 -4.314 1.00 0.00 O ATOM 756 CB THR A 49 3.467 10.623 -4.006 1.00 0.00 C ATOM 757 OG1 THR A 49 4.781 10.278 -4.461 1.00 0.00 O ATOM 758 CG2 THR A 49 2.487 9.524 -4.392 1.00 0.00 C ATOM 0 H THR A 49 5.006 12.599 -4.239 1.00 0.00 H new ATOM 0 HA THR A 49 2.872 11.854 -5.675 1.00 0.00 H new ATOM 0 HB THR A 49 3.473 10.719 -2.920 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.741 9.444 -4.975 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.811 8.578 -3.957 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.494 9.774 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.453 9.432 -5.478 1.00 0.00 H new ATOM 766 N ALA A 50 1.860 13.311 -2.961 1.00 0.00 N ATOM 767 CA ALA A 50 0.695 13.823 -2.249 1.00 0.00 C ATOM 768 C ALA A 50 -0.177 12.683 -1.733 1.00 0.00 C ATOM 769 O ALA A 50 -1.337 12.891 -1.376 1.00 0.00 O ATOM 770 CB ALA A 50 -0.114 14.743 -3.152 1.00 0.00 C ATOM 0 H ALA A 50 2.751 13.691 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 50 1.047 14.394 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.981 15.118 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.507 15.582 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.449 14.190 -4.029 1.00 0.00 H new ATOM 776 N ILE A 51 0.388 11.481 -1.699 1.00 0.00 N ATOM 777 CA ILE A 51 -0.339 10.309 -1.226 1.00 0.00 C ATOM 778 C ILE A 51 -1.818 10.396 -1.589 1.00 0.00 C ATOM 779 O ILE A 51 -2.632 10.884 -0.805 1.00 0.00 O ATOM 780 CB ILE A 51 -0.205 10.141 0.299 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.256 9.894 0.680 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.086 8.999 0.785 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.180 11.032 0.306 1.00 0.00 C ATOM 0 H ILE A 51 1.346 11.293 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 51 0.103 9.443 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.536 11.060 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.319 9.724 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.601 8.982 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.981 8.892 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.127 9.213 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.782 8.073 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.199 10.787 0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.147 11.188 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.861 11.942 0.814 1.00 0.00 H new ATOM 795 N SER A 52 -2.157 9.919 -2.781 1.00 0.00 N ATOM 796 CA SER A 52 -3.539 9.943 -3.250 1.00 0.00 C ATOM 797 C SER A 52 -4.181 8.567 -3.121 1.00 0.00 C ATOM 798 O SER A 52 -3.498 7.542 -3.174 1.00 0.00 O ATOM 799 CB SER A 52 -3.597 10.413 -4.705 1.00 0.00 C ATOM 800 OG SER A 52 -2.310 10.774 -5.177 1.00 0.00 O ATOM 0 H SER A 52 -1.495 9.511 -3.441 1.00 0.00 H new ATOM 0 HA SER A 52 -4.096 10.643 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.008 9.620 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.271 11.266 -4.788 1.00 0.00 H new ATOM 0 HG SER A 52 -2.374 11.069 -6.109 1.00 0.00 H new ATOM 806 N CYS A 53 -5.499 8.549 -2.952 1.00 0.00 N ATOM 807 CA CYS A 53 -6.236 7.298 -2.815 1.00 0.00 C ATOM 808 C CYS A 53 -5.597 6.195 -3.654 1.00 0.00 C ATOM 809 O CYS A 53 -5.219 6.398 -4.808 1.00 0.00 O ATOM 810 CB CYS A 53 -7.694 7.493 -3.235 1.00 0.00 C ATOM 811 SG CYS A 53 -8.713 5.988 -3.105 1.00 0.00 S ATOM 0 H CYS A 53 -6.079 9.387 -2.907 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.203 6.999 -1.767 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.138 8.274 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.720 7.849 -4.265 1.00 0.00 H new ATOM 816 N PRO A 54 -5.472 4.999 -3.061 1.00 0.00 N ATOM 817 CA PRO A 54 -4.879 3.839 -3.735 1.00 0.00 C ATOM 818 C PRO A 54 -5.767 3.302 -4.851 1.00 0.00 C ATOM 819 O PRO A 54 -5.446 2.295 -5.482 1.00 0.00 O ATOM 820 CB PRO A 54 -4.747 2.806 -2.613 1.00 0.00 C ATOM 821 CG PRO A 54 -5.794 3.186 -1.622 1.00 0.00 C ATOM 822 CD PRO A 54 -5.899 4.685 -1.688 1.00 0.00 C ATOM 0 HA PRO A 54 -3.934 4.087 -4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.904 1.794 -2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.753 2.831 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.748 2.717 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.521 2.857 -0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.917 5.025 -1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.258 5.165 -0.949 1.00 0.00 H new ATOM 830 N ASP A 55 -6.883 3.980 -5.092 1.00 0.00 N ATOM 831 CA ASP A 55 -7.817 3.572 -6.136 1.00 0.00 C ATOM 832 C ASP A 55 -7.689 4.471 -7.361 1.00 0.00 C ATOM 833 O ASP A 55 -8.468 5.407 -7.541 1.00 0.00 O ATOM 834 CB ASP A 55 -9.252 3.609 -5.609 1.00 0.00 C ATOM 835 CG ASP A 55 -9.964 2.281 -5.777 1.00 0.00 C ATOM 836 OD1 ASP A 55 -11.109 2.281 -6.279 1.00 0.00 O ATOM 837 OD2 ASP A 55 -9.379 1.243 -5.407 1.00 0.00 O ATOM 0 H ASP A 55 -7.164 4.815 -4.579 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.572 2.551 -6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.242 3.882 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.809 4.386 -6.133 1.00 0.00 H new ATOM 842 N ALA A 56 -6.701 4.180 -8.202 1.00 0.00 N ATOM 843 CA ALA A 56 -6.472 4.961 -9.411 1.00 0.00 C ATOM 844 C ALA A 56 -7.784 5.261 -10.128 1.00 0.00 C ATOM 845 O ALA A 56 -7.876 6.213 -10.903 1.00 0.00 O ATOM 846 CB ALA A 56 -5.516 4.227 -10.340 1.00 0.00 C ATOM 0 H ALA A 56 -6.047 3.409 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.022 5.910 -9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.354 4.822 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.564 4.070 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.944 3.263 -10.615 1.00 0.00 H new ATOM 852 N ALA A 57 -8.797 4.442 -9.865 1.00 0.00 N ATOM 853 CA ALA A 57 -10.104 4.620 -10.484 1.00 0.00 C ATOM 854 C ALA A 57 -11.133 5.102 -9.466 1.00 0.00 C ATOM 855 O ALA A 57 -12.262 4.612 -9.429 1.00 0.00 O ATOM 856 CB ALA A 57 -10.565 3.321 -11.128 1.00 0.00 C ATOM 0 H ALA A 57 -8.737 3.648 -9.227 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.011 5.383 -11.257 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.543 3.469 -11.586 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.848 3.019 -11.892 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.635 2.543 -10.368 1.00 0.00 H new ATOM 862 N CYS A 58 -10.736 6.065 -8.640 1.00 0.00 N ATOM 863 CA CYS A 58 -11.622 6.613 -7.621 1.00 0.00 C ATOM 864 C CYS A 58 -12.483 7.734 -8.194 1.00 0.00 C ATOM 865 O CYS A 58 -12.003 8.619 -8.903 1.00 0.00 O ATOM 866 CB CYS A 58 -10.808 7.135 -6.436 1.00 0.00 C ATOM 867 SG CYS A 58 -11.818 7.644 -5.007 1.00 0.00 S ATOM 0 H CYS A 58 -9.805 6.482 -8.657 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.279 5.814 -7.278 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.112 6.359 -6.117 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.210 7.984 -6.766 1.00 0.00 H new ATOM 872 N PRO A 59 -13.786 7.699 -7.880 1.00 0.00 N ATOM 873 CA PRO A 59 -14.742 8.705 -8.353 1.00 0.00 C ATOM 874 C PRO A 59 -14.522 10.066 -7.701 1.00 0.00 C ATOM 875 O PRO A 59 -15.095 11.069 -8.124 1.00 0.00 O ATOM 876 CB PRO A 59 -16.099 8.127 -7.940 1.00 0.00 C ATOM 877 CG PRO A 59 -15.796 7.242 -6.781 1.00 0.00 C ATOM 878 CD PRO A 59 -14.428 6.675 -7.040 1.00 0.00 C ATOM 0 HA PRO A 59 -14.648 8.885 -9.424 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.798 8.916 -7.663 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.556 7.568 -8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.816 7.802 -5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.537 6.448 -6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.878 6.514 -6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.482 5.713 -7.550 1.00 0.00 H new ATOM 886 N LYS A 60 -13.686 10.093 -6.668 1.00 0.00 N ATOM 887 CA LYS A 60 -13.389 11.330 -5.956 1.00 0.00 C ATOM 888 C LYS A 60 -11.886 11.598 -5.936 1.00 0.00 C ATOM 889 O LYS A 60 -11.450 12.719 -5.679 1.00 0.00 O ATOM 890 CB LYS A 60 -13.925 11.262 -4.525 1.00 0.00 C ATOM 891 CG LYS A 60 -15.434 11.112 -4.447 1.00 0.00 C ATOM 892 CD LYS A 60 -16.117 12.449 -4.211 1.00 0.00 C ATOM 893 CE LYS A 60 -16.998 12.413 -2.971 1.00 0.00 C ATOM 894 NZ LYS A 60 -16.960 13.702 -2.227 1.00 0.00 N ATOM 0 H LYS A 60 -13.202 9.272 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.880 12.149 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.458 10.422 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.630 12.166 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.805 10.672 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.691 10.424 -3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.364 13.229 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.721 12.709 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.025 12.191 -3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.671 11.606 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.573 13.637 -1.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.984 13.901 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.297 14.469 -2.844 1.00 0.00 H new ATOM 908 N GLN A 61 -11.102 10.560 -6.209 1.00 0.00 N ATOM 909 CA GLN A 61 -9.649 10.684 -6.222 1.00 0.00 C ATOM 910 C GLN A 61 -9.178 11.672 -5.161 1.00 0.00 C ATOM 911 O GLN A 61 -8.582 12.701 -5.476 1.00 0.00 O ATOM 912 CB GLN A 61 -9.167 11.133 -7.603 1.00 0.00 C ATOM 913 CG GLN A 61 -9.219 10.034 -8.652 1.00 0.00 C ATOM 914 CD GLN A 61 -7.845 9.495 -9.001 1.00 0.00 C ATOM 915 OE1 GLN A 61 -7.498 8.370 -8.642 1.00 0.00 O ATOM 916 NE2 GLN A 61 -7.056 10.298 -9.705 1.00 0.00 N ATOM 0 H GLN A 61 -11.448 9.625 -6.424 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.224 9.706 -5.996 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.778 11.972 -7.937 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.143 11.497 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.843 9.218 -8.288 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.694 10.420 -9.554 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.386 11.223 -9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.120 9.990 -9.970 1.00 0.00 H new ATOM 925 N GLY A 62 -9.449 11.352 -3.898 1.00 0.00 N ATOM 926 CA GLY A 62 -9.046 12.221 -2.809 1.00 0.00 C ATOM 927 C GLY A 62 -7.611 11.987 -2.382 1.00 0.00 C ATOM 928 O GLY A 62 -7.024 10.950 -2.691 1.00 0.00 O ATOM 0 H GLY A 62 -9.941 10.506 -3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.166 13.260 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.706 12.061 -1.957 1.00 0.00 H new ATOM 932 N HIS A 63 -7.043 12.955 -1.669 1.00 0.00 N ATOM 933 CA HIS A 63 -5.665 12.850 -1.198 1.00 0.00 C ATOM 934 C HIS A 63 -5.624 12.515 0.290 1.00 0.00 C ATOM 935 O HIS A 63 -6.658 12.481 0.958 1.00 0.00 O ATOM 936 CB HIS A 63 -4.913 14.155 -1.461 1.00 0.00 C ATOM 937 CG HIS A 63 -4.517 14.340 -2.894 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.174 15.196 -3.752 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.521 13.773 -3.616 1.00 0.00 C ATOM 940 CE1 HIS A 63 -4.601 15.147 -4.941 1.00 0.00 C ATOM 941 NE2 HIS A 63 -3.596 14.292 -4.886 1.00 0.00 N ATOM 0 H HIS A 63 -7.514 13.820 -1.405 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.179 12.043 -1.747 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.539 14.993 -1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.018 14.181 -0.839 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.803 13.049 -3.260 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.903 15.711 -5.811 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.976 14.055 -5.661 1.00 0.00 H new ATOM 949 N LEU A 64 -4.424 12.268 0.802 1.00 0.00 N ATOM 950 CA LEU A 64 -4.247 11.935 2.211 1.00 0.00 C ATOM 951 C LEU A 64 -3.365 12.968 2.908 1.00 0.00 C ATOM 952 O LEU A 64 -2.670 13.745 2.255 1.00 0.00 O ATOM 953 CB LEU A 64 -3.630 10.542 2.354 1.00 0.00 C ATOM 954 CG LEU A 64 -4.527 9.368 1.958 1.00 0.00 C ATOM 955 CD1 LEU A 64 -5.528 9.066 3.061 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.244 9.662 0.649 1.00 0.00 C ATOM 0 H LEU A 64 -3.559 12.292 0.263 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.228 11.941 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.725 10.503 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.324 10.406 3.391 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.900 8.488 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.158 8.228 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.995 8.810 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.151 9.943 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.877 8.816 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.860 10.554 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.509 9.827 -0.139 1.00 0.00 H new ATOM 968 N GLN A 65 -3.400 12.966 4.237 1.00 0.00 N ATOM 969 CA GLN A 65 -2.603 13.902 5.021 1.00 0.00 C ATOM 970 C GLN A 65 -1.271 13.277 5.424 1.00 0.00 C ATOM 971 O GLN A 65 -1.117 12.057 5.407 1.00 0.00 O ATOM 972 CB GLN A 65 -3.373 14.338 6.269 1.00 0.00 C ATOM 973 CG GLN A 65 -4.839 13.937 6.251 1.00 0.00 C ATOM 974 CD GLN A 65 -5.059 12.510 6.712 1.00 0.00 C ATOM 975 OE1 GLN A 65 -6.155 12.144 7.136 1.00 0.00 O ATOM 976 NE2 GLN A 65 -4.013 11.694 6.633 1.00 0.00 N ATOM 0 H GLN A 65 -3.970 12.328 4.792 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.401 14.777 4.402 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.897 13.905 7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.302 15.421 6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.405 14.613 6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.231 14.053 5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.123 12.039 6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.101 10.722 6.930 1.00 0.00 H new ATOM 985 N GLU A 66 -0.312 14.124 5.786 1.00 0.00 N ATOM 986 CA GLU A 66 1.008 13.655 6.192 1.00 0.00 C ATOM 987 C GLU A 66 1.068 13.438 7.701 1.00 0.00 C ATOM 988 O GLU A 66 1.755 12.538 8.184 1.00 0.00 O ATOM 989 CB GLU A 66 2.084 14.656 5.766 1.00 0.00 C ATOM 990 CG GLU A 66 2.723 14.330 4.426 1.00 0.00 C ATOM 991 CD GLU A 66 2.789 15.532 3.505 1.00 0.00 C ATOM 992 OE1 GLU A 66 2.348 15.412 2.342 1.00 0.00 O ATOM 993 OE2 GLU A 66 3.283 16.591 3.944 1.00 0.00 O ATOM 0 H GLU A 66 -0.424 15.138 5.806 1.00 0.00 H new ATOM 0 HA GLU A 66 1.194 12.702 5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.643 15.651 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.860 14.689 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.730 13.948 4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.156 13.536 3.941 1.00 0.00 H new ATOM 1000 N ASN A 67 0.344 14.272 8.442 1.00 0.00 N ATOM 1001 CA ASN A 67 0.314 14.172 9.896 1.00 0.00 C ATOM 1002 C ASN A 67 -0.668 13.097 10.350 1.00 0.00 C ATOM 1003 O ASN A 67 -0.333 12.242 11.168 1.00 0.00 O ATOM 1004 CB ASN A 67 -0.067 15.520 10.512 1.00 0.00 C ATOM 1005 CG ASN A 67 0.170 16.678 9.562 1.00 0.00 C ATOM 1006 OD1 ASN A 67 1.259 17.250 9.522 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -0.853 17.029 8.791 1.00 0.00 N ATOM 0 H ASN A 67 -0.229 15.024 8.059 1.00 0.00 H new ATOM 0 HA ASN A 67 1.311 13.892 10.236 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.118 15.500 10.801 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.511 15.677 11.423 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.754 17.801 8.132 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.738 16.526 8.858 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.882 13.148 9.811 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.913 12.177 10.160 1.00 0.00 C ATOM 1016 C GLU A 68 -2.454 10.757 9.843 1.00 0.00 C ATOM 1017 O GLU A 68 -2.381 9.905 10.728 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.210 12.486 9.410 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.338 12.958 10.312 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.288 11.840 10.693 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -7.509 12.003 10.488 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -5.810 10.801 11.196 1.00 0.00 O ATOM 0 H GLU A 68 -2.176 13.850 9.132 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.096 12.249 11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.012 13.251 8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.533 11.592 8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.916 13.395 11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.896 13.747 9.807 1.00 0.00 H new ATOM 1029 N ILE A 69 -2.148 10.511 8.573 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.695 9.195 8.138 1.00 0.00 C ATOM 1031 C ILE A 69 -0.556 8.688 9.016 1.00 0.00 C ATOM 1032 O ILE A 69 -0.668 7.640 9.650 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.228 9.217 6.671 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.431 9.323 5.731 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.412 7.972 6.357 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.401 8.324 4.596 1.00 0.00 C ATOM 0 H ILE A 69 -2.206 11.205 7.828 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.547 8.522 8.229 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.595 10.091 6.520 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.345 9.179 6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.470 10.330 5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.089 8.002 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.462 7.936 7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.024 7.085 6.522 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.284 8.457 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.504 8.481 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.393 7.312 5.002 1.00 0.00 H new ATOM 1048 N GLU A 70 0.540 9.440 9.047 1.00 0.00 N ATOM 1049 CA GLU A 70 1.699 9.066 9.848 1.00 0.00 C ATOM 1050 C GLU A 70 1.305 8.842 11.305 1.00 0.00 C ATOM 1051 O GLU A 70 2.011 8.167 12.054 1.00 0.00 O ATOM 1052 CB GLU A 70 2.778 10.148 9.761 1.00 0.00 C ATOM 1053 CG GLU A 70 2.581 11.285 10.750 1.00 0.00 C ATOM 1054 CD GLU A 70 3.774 12.218 10.810 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.608 12.175 9.882 1.00 0.00 O ATOM 1056 OE2 GLU A 70 3.875 12.991 11.786 1.00 0.00 O ATOM 0 H GLU A 70 0.649 10.311 8.527 1.00 0.00 H new ATOM 0 HA GLU A 70 2.097 8.133 9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.753 9.692 9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.792 10.555 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.693 11.853 10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.397 10.871 11.742 1.00 0.00 H new ATOM 1063 N CYS A 71 0.172 9.414 11.700 1.00 0.00 N ATOM 1064 CA CYS A 71 -0.316 9.279 13.068 1.00 0.00 C ATOM 1065 C CYS A 71 -0.910 7.894 13.298 1.00 0.00 C ATOM 1066 O CYS A 71 -0.969 7.414 14.430 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.364 10.353 13.365 1.00 0.00 C ATOM 1068 SG CYS A 71 -2.961 9.696 13.902 1.00 0.00 S ATOM 0 H CYS A 71 -0.425 9.975 11.093 1.00 0.00 H new ATOM 0 HA CYS A 71 0.529 9.409 13.745 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.978 11.018 14.138 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.514 10.957 12.470 1.00 0.00 H new ATOM 0 HG CYS A 71 -3.780 10.679 14.131 1.00 0.00 H new ATOM 1074 N MET A 72 -1.352 7.257 12.219 1.00 0.00 N ATOM 1075 CA MET A 72 -1.942 5.927 12.304 1.00 0.00 C ATOM 1076 C MET A 72 -0.885 4.848 12.087 1.00 0.00 C ATOM 1077 O MET A 72 -1.205 3.664 11.983 1.00 0.00 O ATOM 1078 CB MET A 72 -3.062 5.775 11.271 1.00 0.00 C ATOM 1079 CG MET A 72 -2.636 5.025 10.020 1.00 0.00 C ATOM 1080 SD MET A 72 -3.792 5.243 8.653 1.00 0.00 S ATOM 1081 CE MET A 72 -2.838 4.571 7.294 1.00 0.00 C ATOM 0 H MET A 72 -1.313 7.641 11.275 1.00 0.00 H new ATOM 0 HA MET A 72 -2.360 5.806 13.303 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.901 5.252 11.731 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.420 6.765 10.987 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.648 5.369 9.714 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.547 3.963 10.250 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.080 5.110 6.378 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.775 4.679 7.508 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.078 3.515 7.168 1.00 0.00 H new ATOM 1091 N VAL A 73 0.375 5.266 12.020 1.00 0.00 N ATOM 1092 CA VAL A 73 1.479 4.335 11.818 1.00 0.00 C ATOM 1093 C VAL A 73 2.672 4.699 12.693 1.00 0.00 C ATOM 1094 O VAL A 73 3.142 3.886 13.488 1.00 0.00 O ATOM 1095 CB VAL A 73 1.926 4.309 10.343 1.00 0.00 C ATOM 1096 CG1 VAL A 73 0.910 3.564 9.491 1.00 0.00 C ATOM 1097 CG2 VAL A 73 2.135 5.724 9.825 1.00 0.00 C ATOM 0 H VAL A 73 0.657 6.243 12.103 1.00 0.00 H new ATOM 0 HA VAL A 73 1.116 3.346 12.098 1.00 0.00 H new ATOM 0 HB VAL A 73 2.877 3.779 10.278 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.242 3.556 8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.816 2.539 9.850 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.057 4.063 9.559 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.450 5.687 8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.201 6.281 9.902 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.903 6.219 10.419 1.00 0.00 H new ATOM 1107 N ALA A 74 3.157 5.927 12.542 1.00 0.00 N ATOM 1108 CA ALA A 74 4.295 6.400 13.321 1.00 0.00 C ATOM 1109 C ALA A 74 3.840 7.298 14.467 1.00 0.00 C ATOM 1110 O ALA A 74 4.501 8.282 14.796 1.00 0.00 O ATOM 1111 CB ALA A 74 5.277 7.141 12.426 1.00 0.00 C ATOM 0 H ALA A 74 2.780 6.612 11.887 1.00 0.00 H new ATOM 0 HA ALA A 74 4.796 5.532 13.750 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.121 7.488 13.021 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.635 6.470 11.645 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.779 7.996 11.969 1.00 0.00 H new ATOM 1117 N ALA A 75 2.708 6.951 15.071 1.00 0.00 N ATOM 1118 CA ALA A 75 2.166 7.724 16.181 1.00 0.00 C ATOM 1119 C ALA A 75 3.260 8.096 17.177 1.00 0.00 C ATOM 1120 O ALA A 75 3.551 9.280 17.337 1.00 0.00 O ATOM 1121 CB ALA A 75 1.059 6.946 16.876 1.00 0.00 C ATOM 0 H ALA A 75 2.149 6.139 14.810 1.00 0.00 H new ATOM 0 HA ALA A 75 1.748 8.647 15.779 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.664 7.536 17.703 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.260 6.737 16.165 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.459 6.007 17.259 1.00 0.00 H new TER 1127 ALA A 75 HETATM 1128 ZN ZN A 201 -6.297 -4.776 1.743 1.00 0.00 ZN HETATM 1129 ZN ZN A 202 -10.874 6.854 -3.024 1.00 0.00 ZN