USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 937 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 14 SER OG : rot 73:sc= 1.25 USER MOD Set 1.2: A 104 CYS SG : rot -82:sc= 1.28 USER MOD Set 2.1: A 87 THR OG1 : rot 180:sc= 0.597 USER MOD Set 2.2: A 97 THR OG1 : rot -89:sc= 0.667 USER MOD Set 3.1: A 84 SER OG : rot -131:sc= 0.879 USER MOD Set 3.2: A 86 TYR OH : rot -52:sc= -0.906 USER MOD Set 4.1: A 41 GLN : amide:sc= -0.293 K(o=-4.5,f=-13!) USER MOD Set 4.2: A 73 GLN : amide:sc= -4.2! C(o=-4.5!,f=-12!) USER MOD Set 5.1: A 8 THR OG1 : rot -160:sc= 1.11 USER MOD Set 5.2: A 11 THR OG1 : rot 176:sc= 1.26 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 139:sc= 2.25 (180deg=-1.02!) USER MOD Single : A 17 TYR OH : rot -145:sc= 0.666 USER MOD Single : A 22 CYS SG : rot 124:sc= 0.159 USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.0279 (180deg=-0.204) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 1.15 (180deg=0.859) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -129:sc= -0.126 (180deg=-0.534) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= 1.21 (180deg=1.1) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -109:sc= 0.788 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 46 GLN :FLIP amide:sc= -3.14! C(o=-3.7!,f=-3.1!) USER MOD Single : A 49 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.1!) USER MOD Single : A 52 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ -135:sc= 1.3 (180deg=0.393) USER MOD Single : A 65 THR OG1 : rot -140:sc= -0.0144 USER MOD Single : A 67 THR OG1 : rot -160:sc= -0.972 USER MOD Single : A 68 SER OG : rot -23:sc= 0.0765 USER MOD Single : A 71 SER OG : rot 98:sc= 1.22 USER MOD Single : A 78 SER OG : rot -160:sc= -0.378 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0855 USER MOD Single : A 102 SER OG : rot 21:sc= 0.138 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 125:sc= 1.32 USER MOD Single : A 116 THR OG1 : rot 103:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.463 9.057 -15.795 1.00 0.00 N ATOM 2 CA ALA A 1 8.944 8.282 -14.683 1.00 0.00 C ATOM 3 C ALA A 1 9.528 6.885 -14.684 1.00 0.00 C ATOM 4 O ALA A 1 9.215 6.059 -15.545 1.00 0.00 O ATOM 5 CB ALA A 1 7.423 8.216 -14.711 1.00 0.00 C ATOM 0 H1 ALA A 1 9.050 10.011 -15.776 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.498 9.126 -15.717 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.214 8.590 -16.690 1.00 0.00 H new ATOM 0 HA ALA A 1 9.243 8.787 -13.765 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.069 7.628 -13.864 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.014 9.224 -14.649 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.096 7.748 -15.640 1.00 0.00 H new ATOM 13 N ASP A 2 10.425 6.650 -13.764 1.00 0.00 N ATOM 14 CA ASP A 2 10.988 5.317 -13.513 1.00 0.00 C ATOM 15 C ASP A 2 10.511 4.903 -12.156 1.00 0.00 C ATOM 16 O ASP A 2 11.066 4.010 -11.518 1.00 0.00 O ATOM 17 CB ASP A 2 12.525 5.337 -13.508 1.00 0.00 C ATOM 18 CG ASP A 2 13.144 5.655 -14.845 1.00 0.00 C ATOM 19 OD1 ASP A 2 13.327 4.736 -15.668 1.00 0.00 O ATOM 20 OD2 ASP A 2 13.461 6.836 -15.096 1.00 0.00 O ATOM 0 H ASP A 2 10.800 7.375 -13.152 1.00 0.00 H new ATOM 0 HA ASP A 2 10.671 4.632 -14.299 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.865 6.072 -12.779 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.889 4.365 -13.174 1.00 0.00 H new ATOM 25 N GLU A 3 9.449 5.557 -11.753 1.00 0.00 N ATOM 26 CA GLU A 3 8.861 5.455 -10.444 1.00 0.00 C ATOM 27 C GLU A 3 8.353 4.064 -10.142 1.00 0.00 C ATOM 28 O GLU A 3 7.501 3.532 -10.878 1.00 0.00 O ATOM 29 CB GLU A 3 7.678 6.429 -10.334 1.00 0.00 C ATOM 30 CG GLU A 3 8.021 7.873 -10.636 1.00 0.00 C ATOM 31 CD GLU A 3 9.057 8.412 -9.705 1.00 0.00 C ATOM 32 OE1 GLU A 3 10.249 8.301 -10.008 1.00 0.00 O ATOM 33 OE2 GLU A 3 8.699 8.944 -8.642 1.00 0.00 O ATOM 0 H GLU A 3 8.949 6.206 -12.360 1.00 0.00 H new ATOM 0 HA GLU A 3 9.645 5.697 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.893 6.105 -11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 3 7.268 6.370 -9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.380 7.953 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.119 8.481 -10.566 1.00 0.00 H new ATOM 40 N PRO A 4 8.888 3.433 -9.105 1.00 0.00 N ATOM 41 CA PRO A 4 8.307 2.229 -8.568 1.00 0.00 C ATOM 42 C PRO A 4 6.945 2.620 -7.984 1.00 0.00 C ATOM 43 O PRO A 4 6.798 3.740 -7.452 1.00 0.00 O ATOM 44 CB PRO A 4 9.280 1.819 -7.449 1.00 0.00 C ATOM 45 CG PRO A 4 10.540 2.541 -7.752 1.00 0.00 C ATOM 46 CD PRO A 4 10.110 3.825 -8.393 1.00 0.00 C ATOM 0 HA PRO A 4 8.163 1.423 -9.287 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.893 2.096 -6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.436 0.740 -7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.116 2.727 -6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.176 1.960 -8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.917 4.602 -7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.869 4.213 -9.073 1.00 0.00 H new ATOM 54 N ALA A 5 5.956 1.755 -8.111 1.00 0.00 N ATOM 55 CA ALA A 5 4.586 2.070 -7.684 1.00 0.00 C ATOM 56 C ALA A 5 4.503 2.540 -6.247 1.00 0.00 C ATOM 57 O ALA A 5 3.826 3.512 -5.953 1.00 0.00 O ATOM 58 CB ALA A 5 3.667 0.905 -7.900 1.00 0.00 C ATOM 0 H ALA A 5 6.067 0.822 -8.507 1.00 0.00 H new ATOM 0 HA ALA A 5 4.263 2.901 -8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.661 1.170 -7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.649 0.647 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.022 0.050 -7.324 1.00 0.00 H new ATOM 64 N TYR A 6 5.209 1.884 -5.374 1.00 0.00 N ATOM 65 CA TYR A 6 5.204 2.248 -3.989 1.00 0.00 C ATOM 66 C TYR A 6 6.532 1.854 -3.431 1.00 0.00 C ATOM 67 O TYR A 6 7.232 2.655 -2.837 1.00 0.00 O ATOM 68 CB TYR A 6 4.060 1.548 -3.243 1.00 0.00 C ATOM 69 CG TYR A 6 3.870 2.035 -1.828 1.00 0.00 C ATOM 70 CD1 TYR A 6 3.120 3.169 -1.571 1.00 0.00 C ATOM 71 CD2 TYR A 6 4.444 1.370 -0.755 1.00 0.00 C ATOM 72 CE1 TYR A 6 2.949 3.633 -0.289 1.00 0.00 C ATOM 73 CE2 TYR A 6 4.277 1.823 0.533 1.00 0.00 C ATOM 74 CZ TYR A 6 3.532 2.956 0.762 1.00 0.00 C ATOM 75 OH TYR A 6 3.376 3.418 2.044 1.00 0.00 O ATOM 0 H TYR A 6 5.802 1.085 -5.601 1.00 0.00 H new ATOM 0 HA TYR A 6 5.042 3.319 -3.871 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.133 1.697 -3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.252 0.475 -3.226 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.661 3.699 -2.393 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.032 0.482 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.363 4.521 -0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.728 1.293 1.359 1.00 0.00 H new ATOM 0 HH TYR A 6 3.849 2.825 2.665 1.00 0.00 H new ATOM 85 N LEU A 7 6.881 0.610 -3.649 1.00 0.00 N ATOM 86 CA LEU A 7 8.169 0.113 -3.294 1.00 0.00 C ATOM 87 C LEU A 7 8.809 -0.558 -4.482 1.00 0.00 C ATOM 88 O LEU A 7 8.322 -0.412 -5.603 1.00 0.00 O ATOM 89 CB LEU A 7 8.161 -0.740 -2.014 1.00 0.00 C ATOM 90 CG LEU A 7 7.971 0.034 -0.709 1.00 0.00 C ATOM 91 CD1 LEU A 7 7.959 -0.919 0.468 1.00 0.00 C ATOM 92 CD2 LEU A 7 9.080 1.065 -0.519 1.00 0.00 C ATOM 0 H LEU A 7 6.269 -0.083 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 7 8.799 0.961 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.365 -1.480 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.101 -1.288 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 7 7.015 0.555 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.823 -0.355 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.140 -1.629 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.905 -1.459 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.921 1.602 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.045 0.560 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.066 1.771 -1.349 1.00 0.00 H new ATOM 104 N THR A 8 9.812 -1.314 -4.234 1.00 0.00 N ATOM 105 CA THR A 8 10.760 -1.705 -5.208 1.00 0.00 C ATOM 106 C THR A 8 10.417 -2.966 -5.994 1.00 0.00 C ATOM 107 O THR A 8 9.999 -3.977 -5.443 1.00 0.00 O ATOM 108 CB THR A 8 12.084 -1.846 -4.470 1.00 0.00 C ATOM 109 OG1 THR A 8 11.896 -2.756 -3.364 1.00 0.00 O ATOM 110 CG2 THR A 8 12.444 -0.507 -3.894 1.00 0.00 C ATOM 0 H THR A 8 10.003 -1.694 -3.307 1.00 0.00 H new ATOM 0 HA THR A 8 10.790 -0.943 -5.987 1.00 0.00 H new ATOM 0 HB THR A 8 12.858 -2.207 -5.147 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.610 -2.623 -2.706 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.391 -0.584 -3.360 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.540 0.222 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.663 -0.186 -3.205 1.00 0.00 H new ATOM 118 N VAL A 9 10.581 -2.868 -7.286 1.00 0.00 N ATOM 119 CA VAL A 9 10.403 -3.980 -8.189 1.00 0.00 C ATOM 120 C VAL A 9 11.757 -4.663 -8.377 1.00 0.00 C ATOM 121 O VAL A 9 12.775 -3.979 -8.549 1.00 0.00 O ATOM 122 CB VAL A 9 9.868 -3.493 -9.566 1.00 0.00 C ATOM 123 CG1 VAL A 9 9.768 -4.640 -10.563 1.00 0.00 C ATOM 124 CG2 VAL A 9 8.514 -2.819 -9.404 1.00 0.00 C ATOM 0 H VAL A 9 10.846 -2.000 -7.751 1.00 0.00 H new ATOM 0 HA VAL A 9 9.676 -4.676 -7.771 1.00 0.00 H new ATOM 0 HB VAL A 9 10.580 -2.767 -9.959 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.391 -4.264 -11.514 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.754 -5.079 -10.712 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.087 -5.399 -10.177 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.155 -2.485 -10.377 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.803 -3.528 -8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.612 -1.961 -8.739 1.00 0.00 H new ATOM 134 N GLY A 10 11.784 -5.980 -8.330 1.00 0.00 N ATOM 135 CA GLY A 10 13.028 -6.697 -8.526 1.00 0.00 C ATOM 136 C GLY A 10 13.613 -7.226 -7.233 1.00 0.00 C ATOM 137 O GLY A 10 14.549 -8.029 -7.246 1.00 0.00 O ATOM 0 H GLY A 10 10.969 -6.570 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.858 -7.529 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.752 -6.036 -9.003 1.00 0.00 H new ATOM 141 N THR A 11 13.070 -6.782 -6.132 1.00 0.00 N ATOM 142 CA THR A 11 13.505 -7.179 -4.837 1.00 0.00 C ATOM 143 C THR A 11 13.016 -8.602 -4.508 1.00 0.00 C ATOM 144 O THR A 11 11.912 -9.008 -4.919 1.00 0.00 O ATOM 145 CB THR A 11 12.924 -6.183 -3.843 1.00 0.00 C ATOM 146 OG1 THR A 11 13.242 -4.865 -4.303 1.00 0.00 O ATOM 147 CG2 THR A 11 13.491 -6.368 -2.455 1.00 0.00 C ATOM 0 H THR A 11 12.295 -6.119 -6.119 1.00 0.00 H new ATOM 0 HA THR A 11 14.594 -7.189 -4.790 1.00 0.00 H new ATOM 0 HB THR A 11 11.847 -6.341 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.825 -4.203 -3.713 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.048 -5.636 -1.780 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.263 -7.373 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.572 -6.229 -2.482 1.00 0.00 H new ATOM 155 N ASP A 12 13.847 -9.349 -3.826 1.00 0.00 N ATOM 156 CA ASP A 12 13.497 -10.679 -3.375 1.00 0.00 C ATOM 157 C ASP A 12 13.030 -10.591 -1.947 1.00 0.00 C ATOM 158 O ASP A 12 13.644 -9.919 -1.110 1.00 0.00 O ATOM 159 CB ASP A 12 14.660 -11.690 -3.520 1.00 0.00 C ATOM 160 CG ASP A 12 15.882 -11.368 -2.678 1.00 0.00 C ATOM 161 OD1 ASP A 12 16.738 -10.575 -3.141 1.00 0.00 O ATOM 162 OD2 ASP A 12 16.036 -11.926 -1.555 1.00 0.00 O ATOM 0 H ASP A 12 14.788 -9.055 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 12 12.698 -11.059 -4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.299 -12.682 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.958 -11.735 -4.568 1.00 0.00 H new ATOM 167 N VAL A 13 11.926 -11.202 -1.689 1.00 0.00 N ATOM 168 CA VAL A 13 11.284 -11.169 -0.406 1.00 0.00 C ATOM 169 C VAL A 13 10.716 -12.521 -0.105 1.00 0.00 C ATOM 170 O VAL A 13 10.848 -13.454 -0.897 1.00 0.00 O ATOM 171 CB VAL A 13 10.102 -10.155 -0.397 1.00 0.00 C ATOM 172 CG1 VAL A 13 10.597 -8.749 -0.574 1.00 0.00 C ATOM 173 CG2 VAL A 13 9.096 -10.492 -1.498 1.00 0.00 C ATOM 0 H VAL A 13 11.424 -11.758 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 13 12.028 -10.873 0.334 1.00 0.00 H new ATOM 0 HB VAL A 13 9.608 -10.230 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.751 -8.062 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.278 -8.498 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.122 -8.665 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.278 -9.772 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.591 -10.449 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.702 -11.495 -1.336 1.00 0.00 H new ATOM 183 N SER A 14 10.102 -12.637 1.016 1.00 0.00 N ATOM 184 CA SER A 14 9.393 -13.805 1.324 1.00 0.00 C ATOM 185 C SER A 14 7.931 -13.457 1.527 1.00 0.00 C ATOM 186 O SER A 14 7.605 -12.420 2.106 1.00 0.00 O ATOM 187 CB SER A 14 10.031 -14.523 2.500 1.00 0.00 C ATOM 188 OG SER A 14 10.452 -13.597 3.479 1.00 0.00 O ATOM 0 H SER A 14 10.082 -11.919 1.740 1.00 0.00 H new ATOM 0 HA SER A 14 9.438 -14.514 0.497 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.318 -15.222 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.883 -15.109 2.156 1.00 0.00 H new ATOM 0 HG SER A 14 9.669 -13.234 3.943 1.00 0.00 H new ATOM 194 N ALA A 15 7.092 -14.277 0.978 1.00 0.00 N ATOM 195 CA ALA A 15 5.668 -14.127 0.983 1.00 0.00 C ATOM 196 C ALA A 15 5.107 -15.152 1.929 1.00 0.00 C ATOM 197 O ALA A 15 5.419 -16.340 1.808 1.00 0.00 O ATOM 198 CB ALA A 15 5.175 -14.415 -0.423 1.00 0.00 C ATOM 0 H ALA A 15 7.398 -15.117 0.486 1.00 0.00 H new ATOM 0 HA ALA A 15 5.364 -13.127 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.091 -14.310 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.630 -13.711 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.450 -15.432 -0.704 1.00 0.00 H new ATOM 204 N LYS A 16 4.330 -14.724 2.878 1.00 0.00 N ATOM 205 CA LYS A 16 3.770 -15.647 3.824 1.00 0.00 C ATOM 206 C LYS A 16 2.447 -16.194 3.311 1.00 0.00 C ATOM 207 O LYS A 16 1.673 -15.490 2.643 1.00 0.00 O ATOM 208 CB LYS A 16 3.562 -14.986 5.180 1.00 0.00 C ATOM 209 CG LYS A 16 2.449 -14.016 5.171 1.00 0.00 C ATOM 210 CD LYS A 16 2.306 -13.298 6.476 1.00 0.00 C ATOM 211 CE LYS A 16 1.057 -12.444 6.497 1.00 0.00 C ATOM 212 NZ LYS A 16 -0.165 -13.262 6.393 1.00 0.00 N ATOM 0 H LYS A 16 4.069 -13.748 3.019 1.00 0.00 H new ATOM 0 HA LYS A 16 4.476 -16.469 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.365 -15.754 5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.480 -14.479 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.611 -13.289 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.519 -14.537 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.268 -14.022 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.181 -12.671 6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.029 -11.863 7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.089 -11.732 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.888 -12.890 7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.524 -13.227 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.054 -14.247 6.647 1.00 0.00 H new ATOM 226 N TYR A 17 2.226 -17.439 3.569 1.00 0.00 N ATOM 227 CA TYR A 17 0.999 -18.093 3.276 1.00 0.00 C ATOM 228 C TYR A 17 0.610 -18.887 4.473 1.00 0.00 C ATOM 229 O TYR A 17 1.192 -19.945 4.742 1.00 0.00 O ATOM 230 CB TYR A 17 1.130 -19.014 2.051 1.00 0.00 C ATOM 231 CG TYR A 17 1.526 -18.270 0.821 1.00 0.00 C ATOM 232 CD1 TYR A 17 0.584 -17.570 0.095 1.00 0.00 C ATOM 233 CD2 TYR A 17 2.848 -18.216 0.420 1.00 0.00 C ATOM 234 CE1 TYR A 17 0.949 -16.838 -1.009 1.00 0.00 C ATOM 235 CE2 TYR A 17 3.227 -17.481 -0.667 1.00 0.00 C ATOM 236 CZ TYR A 17 2.270 -16.791 -1.383 1.00 0.00 C ATOM 237 OH TYR A 17 2.638 -16.035 -2.459 1.00 0.00 O ATOM 0 H TYR A 17 2.919 -18.048 4.004 1.00 0.00 H new ATOM 0 HA TYR A 17 0.238 -17.349 3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.870 -19.787 2.259 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.180 -19.520 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.452 -17.598 0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.594 -18.765 0.976 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.203 -16.304 -1.578 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.265 -17.440 -0.963 1.00 0.00 H new ATOM 0 HH TYR A 17 3.367 -16.481 -2.938 1.00 0.00 H new ATOM 247 N ARG A 18 -0.311 -18.324 5.247 1.00 0.00 N ATOM 248 CA ARG A 18 -0.895 -18.977 6.426 1.00 0.00 C ATOM 249 C ARG A 18 0.200 -19.343 7.450 1.00 0.00 C ATOM 250 O ARG A 18 0.141 -20.382 8.117 1.00 0.00 O ATOM 251 CB ARG A 18 -1.696 -20.214 5.973 1.00 0.00 C ATOM 252 CG ARG A 18 -2.657 -19.889 4.829 1.00 0.00 C ATOM 253 CD ARG A 18 -3.431 -21.091 4.345 1.00 0.00 C ATOM 254 NE ARG A 18 -4.475 -21.507 5.287 1.00 0.00 N ATOM 255 CZ ARG A 18 -5.542 -22.244 4.961 1.00 0.00 C ATOM 256 NH1 ARG A 18 -5.708 -22.655 3.703 1.00 0.00 N ATOM 257 NH2 ARG A 18 -6.458 -22.545 5.886 1.00 0.00 N ATOM 0 H ARG A 18 -0.682 -17.389 5.076 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.575 -18.288 6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.006 -20.996 5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.259 -20.610 6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.358 -19.122 5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.092 -19.469 3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.887 -20.861 3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.743 -21.920 4.182 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.381 -21.214 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.021 -22.407 2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.522 -23.217 3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.344 -22.212 6.844 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.271 -23.107 5.635 1.00 0.00 H new ATOM 271 N GLY A 19 1.161 -18.441 7.607 1.00 0.00 N ATOM 272 CA GLY A 19 2.255 -18.643 8.544 1.00 0.00 C ATOM 273 C GLY A 19 3.506 -19.245 7.923 1.00 0.00 C ATOM 274 O GLY A 19 4.567 -19.240 8.540 1.00 0.00 O ATOM 0 H GLY A 19 1.203 -17.560 7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.512 -17.685 8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.913 -19.294 9.349 1.00 0.00 H new ATOM 278 N ALA A 20 3.405 -19.724 6.706 1.00 0.00 N ATOM 279 CA ALA A 20 4.549 -20.350 6.046 1.00 0.00 C ATOM 280 C ALA A 20 5.060 -19.412 4.991 1.00 0.00 C ATOM 281 O ALA A 20 4.289 -18.907 4.214 1.00 0.00 O ATOM 282 CB ALA A 20 4.153 -21.682 5.429 1.00 0.00 C ATOM 0 H ALA A 20 2.552 -19.698 6.147 1.00 0.00 H new ATOM 0 HA ALA A 20 5.332 -20.547 6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.020 -22.130 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.788 -22.350 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.366 -21.522 4.692 1.00 0.00 H new ATOM 288 N PHE A 21 6.336 -19.163 4.955 1.00 0.00 N ATOM 289 CA PHE A 21 6.842 -18.170 4.028 1.00 0.00 C ATOM 290 C PHE A 21 7.572 -18.833 2.870 1.00 0.00 C ATOM 291 O PHE A 21 8.396 -19.741 3.073 1.00 0.00 O ATOM 292 CB PHE A 21 7.775 -17.157 4.723 1.00 0.00 C ATOM 293 CG PHE A 21 7.377 -16.776 6.125 1.00 0.00 C ATOM 294 CD1 PHE A 21 7.775 -17.544 7.211 1.00 0.00 C ATOM 295 CD2 PHE A 21 6.614 -15.663 6.353 1.00 0.00 C ATOM 296 CE1 PHE A 21 7.407 -17.197 8.492 1.00 0.00 C ATOM 297 CE2 PHE A 21 6.239 -15.308 7.632 1.00 0.00 C ATOM 298 CZ PHE A 21 6.637 -16.075 8.703 1.00 0.00 C ATOM 0 H PHE A 21 7.039 -19.617 5.538 1.00 0.00 H new ATOM 0 HA PHE A 21 5.980 -17.626 3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.782 -17.573 4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.819 -16.252 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.380 -18.424 7.049 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.301 -15.053 5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.721 -17.803 9.329 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.633 -14.428 7.793 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.346 -15.798 9.706 1.00 0.00 H new ATOM 308 N CYS A 22 7.253 -18.406 1.683 1.00 0.00 N ATOM 309 CA CYS A 22 7.892 -18.859 0.468 1.00 0.00 C ATOM 310 C CYS A 22 8.706 -17.698 -0.079 1.00 0.00 C ATOM 311 O CYS A 22 8.341 -16.553 0.149 1.00 0.00 O ATOM 312 CB CYS A 22 6.828 -19.267 -0.556 1.00 0.00 C ATOM 313 SG CYS A 22 5.684 -20.546 0.020 1.00 0.00 S ATOM 0 H CYS A 22 6.521 -17.714 1.522 1.00 0.00 H new ATOM 0 HA CYS A 22 8.530 -19.720 0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.254 -18.384 -0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.327 -19.623 -1.457 1.00 0.00 H new ATOM 0 HG CYS A 22 4.463 -20.110 -0.073 1.00 0.00 H new ATOM 319 N GLU A 23 9.806 -17.957 -0.750 1.00 0.00 N ATOM 320 CA GLU A 23 10.576 -16.859 -1.289 1.00 0.00 C ATOM 321 C GLU A 23 9.986 -16.464 -2.620 1.00 0.00 C ATOM 322 O GLU A 23 9.509 -17.328 -3.386 1.00 0.00 O ATOM 323 CB GLU A 23 12.069 -17.188 -1.427 1.00 0.00 C ATOM 324 CG GLU A 23 12.448 -18.064 -2.608 1.00 0.00 C ATOM 325 CD GLU A 23 13.905 -18.463 -2.588 1.00 0.00 C ATOM 326 OE1 GLU A 23 14.788 -17.583 -2.743 1.00 0.00 O ATOM 327 OE2 GLU A 23 14.200 -19.670 -2.413 1.00 0.00 O ATOM 0 H GLU A 23 10.179 -18.889 -0.932 1.00 0.00 H new ATOM 0 HA GLU A 23 10.519 -16.026 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.622 -16.252 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.399 -17.681 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.829 -18.961 -2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.233 -17.532 -3.535 1.00 0.00 H new ATOM 334 N ALA A 24 9.990 -15.201 -2.889 1.00 0.00 N ATOM 335 CA ALA A 24 9.417 -14.687 -4.086 1.00 0.00 C ATOM 336 C ALA A 24 10.072 -13.371 -4.461 1.00 0.00 C ATOM 337 O ALA A 24 10.526 -12.626 -3.603 1.00 0.00 O ATOM 338 CB ALA A 24 7.922 -14.530 -3.918 1.00 0.00 C ATOM 0 H ALA A 24 10.395 -14.491 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 24 9.595 -15.391 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.492 -14.136 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.477 -15.500 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.718 -13.841 -3.099 1.00 0.00 H new ATOM 344 N LYS A 25 10.130 -13.101 -5.719 1.00 0.00 N ATOM 345 CA LYS A 25 10.767 -11.915 -6.220 1.00 0.00 C ATOM 346 C LYS A 25 9.697 -10.999 -6.847 1.00 0.00 C ATOM 347 O LYS A 25 8.885 -11.440 -7.646 1.00 0.00 O ATOM 348 CB LYS A 25 11.883 -12.350 -7.213 1.00 0.00 C ATOM 349 CG LYS A 25 12.874 -11.264 -7.661 1.00 0.00 C ATOM 350 CD LYS A 25 12.295 -10.279 -8.670 1.00 0.00 C ATOM 351 CE LYS A 25 11.973 -10.939 -10.005 1.00 0.00 C ATOM 352 NZ LYS A 25 13.182 -11.489 -10.668 1.00 0.00 N ATOM 0 H LYS A 25 9.734 -13.699 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 25 11.244 -11.335 -5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.451 -13.159 -6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.405 -12.761 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.215 -10.713 -6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.750 -11.743 -8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.389 -9.833 -8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.005 -9.468 -8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.252 -11.741 -9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.500 -10.210 -10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.959 -11.727 -11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.943 -10.780 -10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.493 -12.346 -10.167 1.00 0.00 H new ATOM 366 N ILE A 26 9.697 -9.753 -6.449 1.00 0.00 N ATOM 367 CA ILE A 26 8.698 -8.764 -6.875 1.00 0.00 C ATOM 368 C ILE A 26 8.763 -8.467 -8.389 1.00 0.00 C ATOM 369 O ILE A 26 9.784 -8.009 -8.896 1.00 0.00 O ATOM 370 CB ILE A 26 8.866 -7.429 -6.081 1.00 0.00 C ATOM 371 CG1 ILE A 26 8.858 -7.708 -4.561 1.00 0.00 C ATOM 372 CG2 ILE A 26 7.753 -6.444 -6.452 1.00 0.00 C ATOM 373 CD1 ILE A 26 9.079 -6.490 -3.692 1.00 0.00 C ATOM 0 H ILE A 26 10.396 -9.375 -5.809 1.00 0.00 H new ATOM 0 HA ILE A 26 7.723 -9.203 -6.661 1.00 0.00 H new ATOM 0 HB ILE A 26 9.824 -6.982 -6.347 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.903 -8.159 -4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.631 -8.442 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.884 -5.519 -5.891 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.798 -6.230 -7.520 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.784 -6.881 -6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.057 -6.783 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.048 -6.048 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.292 -5.760 -3.881 1.00 0.00 H new ATOM 385 N LYS A 27 7.662 -8.743 -9.076 1.00 0.00 N ATOM 386 CA LYS A 27 7.491 -8.449 -10.506 1.00 0.00 C ATOM 387 C LYS A 27 6.902 -7.087 -10.669 1.00 0.00 C ATOM 388 O LYS A 27 7.317 -6.294 -11.502 1.00 0.00 O ATOM 389 CB LYS A 27 6.458 -9.381 -11.128 1.00 0.00 C ATOM 390 CG LYS A 27 6.834 -10.806 -11.278 1.00 0.00 C ATOM 391 CD LYS A 27 7.930 -10.967 -12.324 1.00 0.00 C ATOM 392 CE LYS A 27 7.983 -12.381 -12.881 1.00 0.00 C ATOM 393 NZ LYS A 27 6.777 -12.720 -13.690 1.00 0.00 N ATOM 0 H LYS A 27 6.845 -9.185 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 27 8.471 -8.552 -10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.552 -9.333 -10.524 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.204 -8.993 -12.114 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.177 -11.199 -10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.960 -11.389 -11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.760 -10.263 -13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.894 -10.716 -11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.874 -12.492 -13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.076 -13.089 -12.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.970 -13.566 -14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.975 -12.907 -13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.544 -11.923 -14.317 1.00 0.00 H new ATOM 407 N THR A 28 5.862 -6.870 -9.937 1.00 0.00 N ATOM 408 CA THR A 28 5.108 -5.639 -10.036 1.00 0.00 C ATOM 409 C THR A 28 4.615 -5.193 -8.680 1.00 0.00 C ATOM 410 O THR A 28 4.342 -6.013 -7.802 1.00 0.00 O ATOM 411 CB THR A 28 3.883 -5.864 -10.952 1.00 0.00 C ATOM 412 OG1 THR A 28 4.308 -6.365 -12.231 1.00 0.00 O ATOM 413 CG2 THR A 28 3.039 -4.601 -11.156 1.00 0.00 C ATOM 0 H THR A 28 5.501 -7.532 -9.250 1.00 0.00 H new ATOM 0 HA THR A 28 5.763 -4.870 -10.446 1.00 0.00 H new ATOM 0 HB THR A 28 3.251 -6.594 -10.446 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.525 -6.506 -12.804 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.196 -4.828 -11.808 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.668 -4.251 -10.192 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.652 -3.824 -11.613 1.00 0.00 H new ATOM 421 N VAL A 29 4.536 -3.911 -8.528 1.00 0.00 N ATOM 422 CA VAL A 29 3.941 -3.284 -7.403 1.00 0.00 C ATOM 423 C VAL A 29 2.719 -2.565 -7.939 1.00 0.00 C ATOM 424 O VAL A 29 2.782 -1.911 -8.984 1.00 0.00 O ATOM 425 CB VAL A 29 4.891 -2.272 -6.714 1.00 0.00 C ATOM 426 CG1 VAL A 29 4.231 -1.664 -5.482 1.00 0.00 C ATOM 427 CG2 VAL A 29 6.175 -2.955 -6.321 1.00 0.00 C ATOM 0 H VAL A 29 4.900 -3.250 -9.214 1.00 0.00 H new ATOM 0 HA VAL A 29 3.696 -4.026 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 29 5.110 -1.472 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.916 -0.957 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.319 -1.145 -5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.986 -2.455 -4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.836 -2.236 -5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.957 -3.769 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.662 -3.354 -7.211 1.00 0.00 H new ATOM 437 N LYS A 30 1.650 -2.717 -7.283 1.00 0.00 N ATOM 438 CA LYS A 30 0.382 -2.154 -7.705 1.00 0.00 C ATOM 439 C LYS A 30 -0.115 -1.254 -6.596 1.00 0.00 C ATOM 440 O LYS A 30 -0.272 -1.725 -5.480 1.00 0.00 O ATOM 441 CB LYS A 30 -0.588 -3.330 -7.909 1.00 0.00 C ATOM 442 CG LYS A 30 -1.999 -3.010 -8.393 1.00 0.00 C ATOM 443 CD LYS A 30 -2.015 -2.470 -9.811 1.00 0.00 C ATOM 444 CE LYS A 30 -3.432 -2.463 -10.378 1.00 0.00 C ATOM 445 NZ LYS A 30 -3.990 -3.840 -10.492 1.00 0.00 N ATOM 0 H LYS A 30 1.597 -3.244 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 30 0.470 -1.578 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.136 -4.017 -8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.671 -3.864 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.610 -3.911 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.453 -2.279 -7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.610 -1.458 -9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.370 -3.080 -10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.077 -1.862 -9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.428 -1.990 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.362 -3.985 -11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.240 -4.535 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.758 -3.962 -9.801 1.00 0.00 H new ATOM 459 N ARG A 31 -0.330 0.032 -6.861 1.00 0.00 N ATOM 460 CA ARG A 31 -0.810 0.889 -5.796 1.00 0.00 C ATOM 461 C ARG A 31 -2.227 0.568 -5.447 1.00 0.00 C ATOM 462 O ARG A 31 -3.046 0.222 -6.306 1.00 0.00 O ATOM 463 CB ARG A 31 -0.732 2.400 -6.052 1.00 0.00 C ATOM 464 CG ARG A 31 0.636 3.039 -6.027 1.00 0.00 C ATOM 465 CD ARG A 31 0.477 4.549 -5.831 1.00 0.00 C ATOM 466 NE ARG A 31 1.731 5.294 -5.989 1.00 0.00 N ATOM 467 CZ ARG A 31 1.860 6.616 -5.797 1.00 0.00 C ATOM 468 NH1 ARG A 31 0.942 7.294 -5.086 1.00 0.00 N ATOM 469 NH2 ARG A 31 2.953 7.242 -6.229 1.00 0.00 N ATOM 0 H ARG A 31 -0.186 0.483 -7.764 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.120 0.672 -4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.180 2.600 -7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.351 2.900 -5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.235 2.616 -5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.165 2.834 -6.958 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.253 4.926 -6.547 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.074 4.738 -4.836 1.00 0.00 H new ATOM 0 HE ARG A 31 2.562 4.771 -6.264 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.141 6.804 -4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.047 8.299 -4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.688 6.717 -6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.056 8.247 -6.085 1.00 0.00 H new ATOM 483 N LEU A 32 -2.493 0.682 -4.216 1.00 0.00 N ATOM 484 CA LEU A 32 -3.778 0.518 -3.676 1.00 0.00 C ATOM 485 C LEU A 32 -4.107 1.739 -2.952 1.00 0.00 C ATOM 486 O LEU A 32 -3.223 2.491 -2.573 1.00 0.00 O ATOM 487 CB LEU A 32 -3.802 -0.618 -2.686 1.00 0.00 C ATOM 488 CG LEU A 32 -3.702 -1.992 -3.245 1.00 0.00 C ATOM 489 CD1 LEU A 32 -3.630 -2.984 -2.104 1.00 0.00 C ATOM 490 CD2 LEU A 32 -4.906 -2.251 -4.127 1.00 0.00 C ATOM 0 H LEU A 32 -1.785 0.904 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.483 0.308 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.980 -0.475 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.726 -0.550 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.802 -2.100 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.556 -3.995 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.753 -2.772 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.528 -2.901 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.843 -3.257 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.817 -2.159 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.926 -1.524 -4.939 1.00 0.00 H new ATOM 502 N VAL A 33 -5.332 1.967 -2.774 1.00 0.00 N ATOM 503 CA VAL A 33 -5.737 3.041 -1.972 1.00 0.00 C ATOM 504 C VAL A 33 -6.542 2.474 -0.840 1.00 0.00 C ATOM 505 O VAL A 33 -7.595 1.887 -1.059 1.00 0.00 O ATOM 506 CB VAL A 33 -6.551 4.094 -2.765 1.00 0.00 C ATOM 507 CG1 VAL A 33 -6.932 5.252 -1.868 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.745 4.602 -3.957 1.00 0.00 C ATOM 0 H VAL A 33 -6.090 1.417 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.860 3.569 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.461 3.619 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.503 5.983 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.538 4.886 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.029 5.722 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.331 5.341 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.822 5.060 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.506 3.768 -4.617 1.00 0.00 H new ATOM 518 N LYS A 34 -5.991 2.536 0.344 1.00 0.00 N ATOM 519 CA LYS A 34 -6.705 2.131 1.504 1.00 0.00 C ATOM 520 C LYS A 34 -7.502 3.277 1.969 1.00 0.00 C ATOM 521 O LYS A 34 -6.974 4.287 2.443 1.00 0.00 O ATOM 522 CB LYS A 34 -5.841 1.536 2.616 1.00 0.00 C ATOM 523 CG LYS A 34 -5.230 0.189 2.244 1.00 0.00 C ATOM 524 CD LYS A 34 -4.704 -0.581 3.457 1.00 0.00 C ATOM 525 CE LYS A 34 -5.847 -0.989 4.388 1.00 0.00 C ATOM 526 NZ LYS A 34 -5.410 -1.868 5.484 1.00 0.00 N ATOM 0 H LYS A 34 -5.042 2.867 0.520 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.353 1.300 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.042 2.236 2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.447 1.418 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.979 -0.416 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.414 0.348 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.168 -1.469 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.990 0.036 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.303 -0.093 4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.617 -1.497 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.226 -2.111 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.999 -2.738 5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.695 -1.378 6.058 1.00 0.00 H new ATOM 540 N VAL A 35 -8.742 3.146 1.770 1.00 0.00 N ATOM 541 CA VAL A 35 -9.663 4.167 2.019 1.00 0.00 C ATOM 542 C VAL A 35 -10.181 4.034 3.420 1.00 0.00 C ATOM 543 O VAL A 35 -10.523 2.926 3.864 1.00 0.00 O ATOM 544 CB VAL A 35 -10.846 4.045 1.048 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.718 5.257 1.113 1.00 0.00 C ATOM 546 CG2 VAL A 35 -10.374 3.800 -0.372 1.00 0.00 C ATOM 0 H VAL A 35 -9.164 2.289 1.414 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.173 5.131 1.886 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.436 3.182 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.548 5.146 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.107 5.372 2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.136 6.139 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.237 3.719 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.746 4.630 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.799 2.875 -0.410 1.00 0.00 H new ATOM 556 N LYS A 36 -10.195 5.125 4.128 1.00 0.00 N ATOM 557 CA LYS A 36 -10.804 5.143 5.400 1.00 0.00 C ATOM 558 C LYS A 36 -12.211 5.534 5.123 1.00 0.00 C ATOM 559 O LYS A 36 -12.476 6.643 4.637 1.00 0.00 O ATOM 560 CB LYS A 36 -10.174 6.154 6.364 1.00 0.00 C ATOM 561 CG LYS A 36 -10.603 5.913 7.817 1.00 0.00 C ATOM 562 CD LYS A 36 -10.215 7.042 8.778 1.00 0.00 C ATOM 563 CE LYS A 36 -11.054 8.288 8.544 1.00 0.00 C ATOM 564 NZ LYS A 36 -10.830 9.334 9.560 1.00 0.00 N ATOM 0 H LYS A 36 -9.786 6.012 3.833 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.694 4.175 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.088 6.094 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.457 7.163 6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.684 5.779 7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.156 4.982 8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.342 6.705 9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.160 7.284 8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.826 8.693 7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.109 8.013 8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.428 10.158 9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.073 8.962 10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.830 9.620 9.549 1.00 0.00 H new ATOM 578 N VAL A 37 -13.078 4.636 5.326 1.00 0.00 N ATOM 579 CA VAL A 37 -14.448 4.852 5.062 1.00 0.00 C ATOM 580 C VAL A 37 -15.235 4.857 6.312 1.00 0.00 C ATOM 581 O VAL A 37 -14.931 4.142 7.268 1.00 0.00 O ATOM 582 CB VAL A 37 -15.041 3.808 4.086 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.671 4.140 2.665 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.559 2.406 4.436 1.00 0.00 C ATOM 0 H VAL A 37 -12.861 3.707 5.688 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.512 5.830 4.585 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.126 3.837 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.097 3.394 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -15.061 5.125 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.586 4.142 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.988 1.688 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.472 2.369 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.872 2.156 5.450 1.00 0.00 H new ATOM 594 N LEU A 38 -16.205 5.679 6.315 1.00 0.00 N ATOM 595 CA LEU A 38 -17.135 5.748 7.375 1.00 0.00 C ATOM 596 C LEU A 38 -18.420 5.281 6.799 1.00 0.00 C ATOM 597 O LEU A 38 -18.936 5.877 5.853 1.00 0.00 O ATOM 598 CB LEU A 38 -17.203 7.185 7.951 1.00 0.00 C ATOM 599 CG LEU A 38 -18.184 7.501 9.133 1.00 0.00 C ATOM 600 CD1 LEU A 38 -19.659 7.485 8.718 1.00 0.00 C ATOM 601 CD2 LEU A 38 -17.956 6.558 10.304 1.00 0.00 C ATOM 0 H LEU A 38 -16.383 6.343 5.562 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.857 5.124 8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.199 7.452 8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.457 7.854 7.129 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.955 8.520 9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -20.283 7.711 9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.827 8.233 7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.918 6.499 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.651 6.802 11.108 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -18.121 5.530 9.981 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.933 6.665 10.664 1.00 0.00 H new ATOM 613 N LEU A 39 -18.875 4.189 7.303 1.00 0.00 N ATOM 614 CA LEU A 39 -20.082 3.567 6.836 1.00 0.00 C ATOM 615 C LEU A 39 -21.260 4.421 7.210 1.00 0.00 C ATOM 616 O LEU A 39 -21.483 4.704 8.374 1.00 0.00 O ATOM 617 CB LEU A 39 -20.218 2.118 7.340 1.00 0.00 C ATOM 618 CG LEU A 39 -19.279 1.055 6.701 1.00 0.00 C ATOM 619 CD1 LEU A 39 -17.803 1.328 6.966 1.00 0.00 C ATOM 620 CD2 LEU A 39 -19.641 -0.330 7.183 1.00 0.00 C ATOM 0 H LEU A 39 -18.418 3.687 8.064 1.00 0.00 H new ATOM 0 HA LEU A 39 -20.044 3.494 5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.047 2.117 8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.248 1.799 7.180 1.00 0.00 H new ATOM 0 HG LEU A 39 -19.428 1.120 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.199 0.552 6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.533 2.300 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -17.620 1.328 8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -18.974 -1.060 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -19.540 -0.376 8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -20.671 -0.555 6.904 1.00 0.00 H new ATOM 632 N LYS A 40 -21.995 4.815 6.221 1.00 0.00 N ATOM 633 CA LYS A 40 -23.025 5.770 6.341 1.00 0.00 C ATOM 634 C LYS A 40 -24.214 5.295 7.188 1.00 0.00 C ATOM 635 O LYS A 40 -24.761 6.074 7.981 1.00 0.00 O ATOM 636 CB LYS A 40 -23.387 6.219 4.927 1.00 0.00 C ATOM 637 CG LYS A 40 -24.672 6.944 4.772 1.00 0.00 C ATOM 638 CD LYS A 40 -24.723 7.636 3.418 1.00 0.00 C ATOM 639 CE LYS A 40 -26.104 8.153 3.078 1.00 0.00 C ATOM 640 NZ LYS A 40 -27.045 7.048 2.813 1.00 0.00 N ATOM 0 H LYS A 40 -21.882 4.459 5.272 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.676 6.631 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -22.587 6.860 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -23.412 5.338 4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -25.505 6.247 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -24.782 7.679 5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -24.017 8.466 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -24.400 6.938 2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -26.479 8.762 3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -26.046 8.801 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -27.830 7.394 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -26.550 6.283 2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -27.420 6.687 3.714 1.00 0.00 H new ATOM 654 N GLN A 41 -24.589 4.044 7.058 1.00 0.00 N ATOM 655 CA GLN A 41 -25.712 3.529 7.814 1.00 0.00 C ATOM 656 C GLN A 41 -25.307 3.037 9.190 1.00 0.00 C ATOM 657 O GLN A 41 -25.971 3.340 10.183 1.00 0.00 O ATOM 658 CB GLN A 41 -26.471 2.401 7.087 1.00 0.00 C ATOM 659 CG GLN A 41 -27.194 2.806 5.810 1.00 0.00 C ATOM 660 CD GLN A 41 -26.330 2.831 4.558 1.00 0.00 C ATOM 661 OE1 GLN A 41 -25.134 3.062 4.588 1.00 0.00 O ATOM 662 NE2 GLN A 41 -26.953 2.610 3.444 1.00 0.00 N ATOM 0 H GLN A 41 -24.139 3.367 6.442 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.382 4.382 7.919 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -25.762 1.609 6.845 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -27.201 1.977 7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -28.023 2.117 5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -27.626 3.796 5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -27.955 2.419 3.449 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -26.442 2.627 2.562 1.00 0.00 H new ATOM 671 N ASP A 42 -24.235 2.287 9.243 1.00 0.00 N ATOM 672 CA ASP A 42 -23.800 1.625 10.475 1.00 0.00 C ATOM 673 C ASP A 42 -22.930 2.521 11.339 1.00 0.00 C ATOM 674 O ASP A 42 -22.862 2.338 12.552 1.00 0.00 O ATOM 675 CB ASP A 42 -23.059 0.334 10.130 1.00 0.00 C ATOM 676 CG ASP A 42 -22.759 -0.528 11.324 1.00 0.00 C ATOM 677 OD1 ASP A 42 -23.601 -1.377 11.675 1.00 0.00 O ATOM 678 OD2 ASP A 42 -21.667 -0.420 11.897 1.00 0.00 O ATOM 0 H ASP A 42 -23.631 2.110 8.441 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.691 1.394 11.058 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.656 -0.239 9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -22.124 0.585 9.630 1.00 0.00 H new ATOM 683 N ASN A 43 -22.272 3.487 10.709 1.00 0.00 N ATOM 684 CA ASN A 43 -21.398 4.470 11.387 1.00 0.00 C ATOM 685 C ASN A 43 -20.070 3.889 11.840 1.00 0.00 C ATOM 686 O ASN A 43 -19.378 4.470 12.689 1.00 0.00 O ATOM 687 CB ASN A 43 -22.099 5.214 12.537 1.00 0.00 C ATOM 688 CG ASN A 43 -23.073 6.273 12.065 1.00 0.00 C ATOM 689 OD1 ASN A 43 -22.689 7.424 11.822 1.00 0.00 O ATOM 690 ND2 ASN A 43 -24.329 5.933 11.987 1.00 0.00 N ATOM 0 H ASN A 43 -22.323 3.622 9.699 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.173 5.208 10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -22.631 4.492 13.156 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.345 5.681 13.170 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -25.029 6.625 11.719 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -24.612 4.975 12.194 1.00 0.00 H new ATOM 697 N THR A 44 -19.685 2.785 11.267 1.00 0.00 N ATOM 698 CA THR A 44 -18.406 2.194 11.539 1.00 0.00 C ATOM 699 C THR A 44 -17.345 2.805 10.635 1.00 0.00 C ATOM 700 O THR A 44 -17.652 3.271 9.547 1.00 0.00 O ATOM 701 CB THR A 44 -18.479 0.692 11.298 1.00 0.00 C ATOM 702 OG1 THR A 44 -19.599 0.413 10.440 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.632 -0.051 12.593 1.00 0.00 C ATOM 0 H THR A 44 -20.252 2.267 10.595 1.00 0.00 H new ATOM 0 HA THR A 44 -18.139 2.385 12.578 1.00 0.00 H new ATOM 0 HB THR A 44 -17.554 0.362 10.826 1.00 0.00 H new ATOM 0 HG1 THR A 44 -20.305 -0.028 10.957 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.682 -1.122 12.395 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.778 0.159 13.236 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.548 0.269 13.090 1.00 0.00 H new ATOM 711 N THR A 45 -16.126 2.854 11.085 1.00 0.00 N ATOM 712 CA THR A 45 -15.066 3.339 10.257 1.00 0.00 C ATOM 713 C THR A 45 -14.156 2.158 9.946 1.00 0.00 C ATOM 714 O THR A 45 -13.984 1.260 10.778 1.00 0.00 O ATOM 715 CB THR A 45 -14.282 4.441 10.962 1.00 0.00 C ATOM 716 OG1 THR A 45 -15.209 5.290 11.655 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.515 5.284 9.955 1.00 0.00 C ATOM 0 H THR A 45 -15.843 2.564 12.021 1.00 0.00 H new ATOM 0 HA THR A 45 -15.471 3.768 9.341 1.00 0.00 H new ATOM 0 HB THR A 45 -13.575 3.984 11.654 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.719 6.003 12.115 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.963 6.064 10.479 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.817 4.651 9.407 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.215 5.742 9.256 1.00 0.00 H new ATOM 725 N GLN A 46 -13.613 2.135 8.785 1.00 0.00 N ATOM 726 CA GLN A 46 -12.826 1.010 8.351 1.00 0.00 C ATOM 727 C GLN A 46 -11.798 1.503 7.364 1.00 0.00 C ATOM 728 O GLN A 46 -12.042 2.482 6.674 1.00 0.00 O ATOM 729 CB GLN A 46 -13.792 0.002 7.720 1.00 0.00 C ATOM 730 CG GLN A 46 -13.282 -1.415 7.496 1.00 0.00 C ATOM 731 CD GLN A 46 -14.418 -2.418 7.634 1.00 0.00 C ATOM 732 OE1 GLN A 46 -15.627 -1.978 7.364 1.00 0.00 O flip ATOM 733 NE2 GLN A 46 -14.215 -3.573 8.016 1.00 0.00 N flip ATOM 0 H GLN A 46 -13.693 2.887 8.100 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.295 0.527 9.171 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.678 -0.055 8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.112 0.400 6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.837 -1.495 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.497 -1.644 8.217 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.265 -3.884 8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.997 -4.217 8.131 1.00 0.00 H new ATOM 742 N LEU A 47 -10.655 0.881 7.342 1.00 0.00 N ATOM 743 CA LEU A 47 -9.601 1.263 6.432 1.00 0.00 C ATOM 744 C LEU A 47 -9.240 0.034 5.616 1.00 0.00 C ATOM 745 O LEU A 47 -8.548 -0.868 6.102 1.00 0.00 O ATOM 746 CB LEU A 47 -8.373 1.774 7.235 1.00 0.00 C ATOM 747 CG LEU A 47 -7.180 2.345 6.438 1.00 0.00 C ATOM 748 CD1 LEU A 47 -7.524 3.674 5.777 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.961 2.498 7.333 1.00 0.00 C ATOM 0 H LEU A 47 -10.422 0.096 7.950 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.923 2.069 5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.719 2.548 7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.005 0.949 7.845 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.948 1.633 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.658 4.041 5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.358 3.533 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.802 4.399 6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.132 2.902 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.194 3.177 8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.682 1.525 7.737 1.00 0.00 H new ATOM 761 N VAL A 48 -9.727 -0.016 4.405 1.00 0.00 N ATOM 762 CA VAL A 48 -9.526 -1.160 3.519 1.00 0.00 C ATOM 763 C VAL A 48 -9.141 -0.694 2.138 1.00 0.00 C ATOM 764 O VAL A 48 -9.295 0.473 1.817 1.00 0.00 O ATOM 765 CB VAL A 48 -10.761 -2.107 3.447 1.00 0.00 C ATOM 766 CG1 VAL A 48 -10.900 -2.900 4.737 1.00 0.00 C ATOM 767 CG2 VAL A 48 -12.031 -1.312 3.191 1.00 0.00 C ATOM 0 H VAL A 48 -10.280 0.735 3.991 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.712 -1.744 3.948 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.608 -2.801 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.768 -3.556 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.003 -3.499 4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.029 -2.214 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.882 -1.991 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.182 -0.597 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.941 -0.777 2.246 1.00 0.00 H new ATOM 777 N GLN A 49 -8.643 -1.586 1.329 1.00 0.00 N ATOM 778 CA GLN A 49 -8.129 -1.201 0.037 1.00 0.00 C ATOM 779 C GLN A 49 -9.199 -1.136 -1.039 1.00 0.00 C ATOM 780 O GLN A 49 -10.264 -1.740 -0.913 1.00 0.00 O ATOM 781 CB GLN A 49 -6.944 -2.088 -0.419 1.00 0.00 C ATOM 782 CG GLN A 49 -7.259 -3.560 -0.725 1.00 0.00 C ATOM 783 CD GLN A 49 -7.673 -4.384 0.475 1.00 0.00 C ATOM 784 OE1 GLN A 49 -7.287 -4.104 1.603 1.00 0.00 O ATOM 785 NE2 GLN A 49 -8.424 -5.417 0.236 1.00 0.00 N ATOM 0 H GLN A 49 -8.580 -2.583 1.537 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.753 -0.187 0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.509 -1.641 -1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.179 -2.058 0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.056 -3.599 -1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.379 -4.019 -1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.726 -5.618 -0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.712 -6.027 1.002 1.00 0.00 H new ATOM 794 N ASP A 50 -8.848 -0.419 -2.105 1.00 0.00 N ATOM 795 CA ASP A 50 -9.647 -0.189 -3.341 1.00 0.00 C ATOM 796 C ASP A 50 -10.343 -1.449 -3.878 1.00 0.00 C ATOM 797 O ASP A 50 -11.399 -1.377 -4.463 1.00 0.00 O ATOM 798 CB ASP A 50 -8.712 0.409 -4.418 1.00 0.00 C ATOM 799 CG ASP A 50 -9.246 0.320 -5.842 1.00 0.00 C ATOM 800 OD1 ASP A 50 -10.154 1.074 -6.212 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.709 -0.505 -6.628 1.00 0.00 O ATOM 0 H ASP A 50 -7.945 0.053 -2.147 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.453 0.500 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.526 1.456 -4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.751 -0.104 -4.372 1.00 0.00 H new ATOM 806 N ASP A 51 -9.771 -2.592 -3.616 1.00 0.00 N ATOM 807 CA ASP A 51 -10.332 -3.862 -4.063 1.00 0.00 C ATOM 808 C ASP A 51 -11.659 -4.122 -3.402 1.00 0.00 C ATOM 809 O ASP A 51 -12.596 -4.606 -4.034 1.00 0.00 O ATOM 810 CB ASP A 51 -9.382 -5.030 -3.783 1.00 0.00 C ATOM 811 CG ASP A 51 -8.264 -5.130 -4.777 1.00 0.00 C ATOM 812 OD1 ASP A 51 -7.253 -4.427 -4.630 1.00 0.00 O ATOM 813 OD2 ASP A 51 -8.382 -5.930 -5.725 1.00 0.00 O ATOM 0 H ASP A 51 -8.903 -2.682 -3.088 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.475 -3.787 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.962 -4.918 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.949 -5.961 -3.788 1.00 0.00 H new ATOM 818 N GLN A 52 -11.759 -3.745 -2.150 1.00 0.00 N ATOM 819 CA GLN A 52 -12.951 -3.990 -1.376 1.00 0.00 C ATOM 820 C GLN A 52 -13.797 -2.734 -1.300 1.00 0.00 C ATOM 821 O GLN A 52 -14.910 -2.748 -0.784 1.00 0.00 O ATOM 822 CB GLN A 52 -12.578 -4.483 0.014 1.00 0.00 C ATOM 823 CG GLN A 52 -11.716 -5.729 -0.020 1.00 0.00 C ATOM 824 CD GLN A 52 -11.343 -6.258 1.362 1.00 0.00 C ATOM 825 OE1 GLN A 52 -11.233 -5.510 2.317 1.00 0.00 O ATOM 826 NE2 GLN A 52 -11.120 -7.545 1.463 1.00 0.00 N ATOM 0 H GLN A 52 -11.019 -3.262 -1.641 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.541 -4.764 -1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.047 -3.693 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.487 -4.690 0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.244 -6.510 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.803 -5.513 -0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.220 -8.146 0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.846 -7.946 2.360 1.00 0.00 H new ATOM 835 N VAL A 53 -13.256 -1.653 -1.801 1.00 0.00 N ATOM 836 CA VAL A 53 -13.986 -0.397 -1.847 1.00 0.00 C ATOM 837 C VAL A 53 -14.526 -0.163 -3.238 1.00 0.00 C ATOM 838 O VAL A 53 -13.785 0.030 -4.187 1.00 0.00 O ATOM 839 CB VAL A 53 -13.140 0.805 -1.375 1.00 0.00 C ATOM 840 CG1 VAL A 53 -13.924 2.108 -1.510 1.00 0.00 C ATOM 841 CG2 VAL A 53 -12.747 0.594 0.062 1.00 0.00 C ATOM 0 H VAL A 53 -12.312 -1.610 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.817 -0.480 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.249 0.878 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.307 2.940 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.199 2.261 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.827 2.054 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.149 1.439 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.644 0.512 0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.163 -0.322 0.149 1.00 0.00 H new ATOM 851 N LYS A 54 -15.807 -0.193 -3.350 1.00 0.00 N ATOM 852 CA LYS A 54 -16.448 -0.068 -4.638 1.00 0.00 C ATOM 853 C LYS A 54 -16.925 1.348 -4.872 1.00 0.00 C ATOM 854 O LYS A 54 -17.957 1.767 -4.313 1.00 0.00 O ATOM 855 CB LYS A 54 -17.621 -1.057 -4.775 1.00 0.00 C ATOM 856 CG LYS A 54 -17.255 -2.521 -4.528 1.00 0.00 C ATOM 857 CD LYS A 54 -16.075 -2.942 -5.382 1.00 0.00 C ATOM 858 CE LYS A 54 -15.744 -4.404 -5.225 1.00 0.00 C ATOM 859 NZ LYS A 54 -14.512 -4.755 -5.964 1.00 0.00 N ATOM 0 H LYS A 54 -16.449 -0.304 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.706 -0.312 -5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.405 -0.769 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.040 -0.966 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.015 -2.666 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.113 -3.156 -4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.295 -2.733 -6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.204 -2.344 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.617 -4.640 -4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.575 -5.009 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.662 -5.641 -6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.279 -3.993 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.728 -4.879 -5.292 1.00 0.00 H new ATOM 873 N GLY A 55 -16.157 2.095 -5.634 1.00 0.00 N ATOM 874 CA GLY A 55 -16.540 3.432 -5.997 1.00 0.00 C ATOM 875 C GLY A 55 -15.331 4.333 -6.268 1.00 0.00 C ATOM 876 O GLY A 55 -14.220 3.828 -6.489 1.00 0.00 O ATOM 0 H GLY A 55 -15.260 1.793 -6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.170 3.398 -6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.140 3.865 -5.197 1.00 0.00 H new ATOM 880 N PRO A 56 -15.518 5.667 -6.281 1.00 0.00 N ATOM 881 CA PRO A 56 -14.447 6.642 -6.558 1.00 0.00 C ATOM 882 C PRO A 56 -13.565 6.956 -5.346 1.00 0.00 C ATOM 883 O PRO A 56 -14.039 7.023 -4.206 1.00 0.00 O ATOM 884 CB PRO A 56 -15.217 7.922 -6.937 1.00 0.00 C ATOM 885 CG PRO A 56 -16.663 7.540 -6.962 1.00 0.00 C ATOM 886 CD PRO A 56 -16.794 6.347 -6.062 1.00 0.00 C ATOM 0 HA PRO A 56 -13.772 6.253 -7.320 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.035 8.716 -6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.896 8.298 -7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.289 8.361 -6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -16.985 7.301 -7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.931 6.634 -5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.643 5.721 -6.334 1.00 0.00 H new ATOM 894 N LEU A 57 -12.296 7.209 -5.599 1.00 0.00 N ATOM 895 CA LEU A 57 -11.383 7.597 -4.547 1.00 0.00 C ATOM 896 C LEU A 57 -11.396 9.107 -4.420 1.00 0.00 C ATOM 897 O LEU A 57 -10.578 9.812 -5.022 1.00 0.00 O ATOM 898 CB LEU A 57 -9.929 7.085 -4.779 1.00 0.00 C ATOM 899 CG LEU A 57 -9.695 5.552 -4.857 1.00 0.00 C ATOM 900 CD1 LEU A 57 -10.373 4.821 -3.719 1.00 0.00 C ATOM 901 CD2 LEU A 57 -10.088 4.966 -6.200 1.00 0.00 C ATOM 0 H LEU A 57 -11.875 7.152 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.724 7.131 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.565 7.525 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.306 7.477 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.620 5.404 -4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.185 3.751 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.977 5.179 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.447 5.005 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.903 3.892 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.147 5.151 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.497 5.434 -6.988 1.00 0.00 H new ATOM 913 N ARG A 58 -12.387 9.597 -3.707 1.00 0.00 N ATOM 914 CA ARG A 58 -12.550 11.011 -3.419 1.00 0.00 C ATOM 915 C ARG A 58 -13.007 11.188 -2.003 1.00 0.00 C ATOM 916 O ARG A 58 -14.000 10.593 -1.608 1.00 0.00 O ATOM 917 CB ARG A 58 -13.550 11.686 -4.369 1.00 0.00 C ATOM 918 CG ARG A 58 -13.070 11.880 -5.796 1.00 0.00 C ATOM 919 CD ARG A 58 -14.108 12.619 -6.635 1.00 0.00 C ATOM 920 NE ARG A 58 -15.320 11.820 -6.893 1.00 0.00 N ATOM 921 CZ ARG A 58 -16.567 12.126 -6.491 1.00 0.00 C ATOM 922 NH1 ARG A 58 -16.786 13.152 -5.662 1.00 0.00 N ATOM 923 NH2 ARG A 58 -17.598 11.397 -6.915 1.00 0.00 N ATOM 0 H ARG A 58 -13.119 9.014 -3.301 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.581 11.489 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.463 11.091 -4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.814 12.660 -3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.135 12.440 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.859 10.910 -6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.389 13.540 -6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.660 12.906 -7.586 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.202 10.957 -7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.003 13.713 -5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.736 13.374 -5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.441 10.609 -7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.544 11.627 -6.612 1.00 0.00 H new ATOM 937 N VAL A 59 -12.268 11.954 -1.220 1.00 0.00 N ATOM 938 CA VAL A 59 -12.694 12.240 0.148 1.00 0.00 C ATOM 939 C VAL A 59 -14.034 12.968 0.126 1.00 0.00 C ATOM 940 O VAL A 59 -14.165 14.061 -0.430 1.00 0.00 O ATOM 941 CB VAL A 59 -11.666 13.067 0.957 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.071 13.127 2.427 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.297 12.462 0.834 1.00 0.00 C ATOM 0 H VAL A 59 -11.385 12.384 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.785 11.278 0.653 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.646 14.079 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.338 13.712 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.051 13.595 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.113 12.117 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.585 13.054 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.314 11.442 1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.997 12.450 -0.214 1.00 0.00 H new ATOM 953 N GLY A 60 -15.013 12.342 0.706 1.00 0.00 N ATOM 954 CA GLY A 60 -16.345 12.883 0.707 1.00 0.00 C ATOM 955 C GLY A 60 -17.217 12.282 -0.378 1.00 0.00 C ATOM 956 O GLY A 60 -18.307 12.789 -0.654 1.00 0.00 O ATOM 0 H GLY A 60 -14.916 11.449 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.805 12.705 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.295 13.963 0.571 1.00 0.00 H new ATOM 960 N ALA A 61 -16.750 11.218 -1.015 1.00 0.00 N ATOM 961 CA ALA A 61 -17.555 10.576 -2.041 1.00 0.00 C ATOM 962 C ALA A 61 -18.294 9.391 -1.466 1.00 0.00 C ATOM 963 O ALA A 61 -18.003 8.950 -0.346 1.00 0.00 O ATOM 964 CB ALA A 61 -16.731 10.182 -3.259 1.00 0.00 C ATOM 0 H ALA A 61 -15.840 10.790 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.288 11.304 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.377 9.706 -3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.277 11.072 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.948 9.485 -2.959 1.00 0.00 H new ATOM 970 N ILE A 62 -19.215 8.872 -2.223 1.00 0.00 N ATOM 971 CA ILE A 62 -20.047 7.775 -1.793 1.00 0.00 C ATOM 972 C ILE A 62 -19.519 6.485 -2.420 1.00 0.00 C ATOM 973 O ILE A 62 -19.439 6.383 -3.649 1.00 0.00 O ATOM 974 CB ILE A 62 -21.516 7.971 -2.276 1.00 0.00 C ATOM 975 CG1 ILE A 62 -22.046 9.400 -1.997 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.427 6.938 -1.640 1.00 0.00 C ATOM 977 CD1 ILE A 62 -22.094 9.800 -0.539 1.00 0.00 C ATOM 0 H ILE A 62 -19.416 9.199 -3.168 1.00 0.00 H new ATOM 0 HA ILE A 62 -20.025 7.730 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 62 -21.516 7.834 -3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.418 10.113 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -23.050 9.485 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.449 7.090 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.094 5.938 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.394 7.043 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.479 10.816 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -22.747 9.117 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -21.090 9.755 -0.116 1.00 0.00 H new ATOM 989 N VAL A 63 -19.141 5.534 -1.607 1.00 0.00 N ATOM 990 CA VAL A 63 -18.667 4.248 -2.087 1.00 0.00 C ATOM 991 C VAL A 63 -19.371 3.144 -1.347 1.00 0.00 C ATOM 992 O VAL A 63 -20.175 3.400 -0.474 1.00 0.00 O ATOM 993 CB VAL A 63 -17.139 4.066 -1.877 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.359 5.029 -2.722 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.761 4.228 -0.405 1.00 0.00 C ATOM 0 H VAL A 63 -19.150 5.622 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 63 -18.878 4.210 -3.156 1.00 0.00 H new ATOM 0 HB VAL A 63 -16.885 3.052 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.292 4.879 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -16.589 4.859 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -16.628 6.050 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.685 4.095 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.043 5.224 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.285 3.480 0.190 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.091 1.940 -1.715 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.555 0.792 -0.981 1.00 0.00 C ATOM 1007 C GLU A 64 -18.369 -0.009 -0.585 1.00 0.00 C ATOM 1008 O GLU A 64 -17.580 -0.394 -1.418 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.516 -0.050 -1.782 1.00 0.00 C ATOM 1010 CG GLU A 64 -21.862 0.598 -1.990 1.00 0.00 C ATOM 1011 CD GLU A 64 -22.755 -0.263 -2.815 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -23.376 -1.195 -2.281 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -22.821 -0.047 -4.036 1.00 0.00 O ATOM 0 H GLU A 64 -18.531 1.714 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.104 1.132 -0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.073 -0.266 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.657 -1.005 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.329 0.790 -1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.732 1.564 -2.478 1.00 0.00 H new ATOM 1020 N THR A 65 -18.225 -0.232 0.652 1.00 0.00 N ATOM 1021 CA THR A 65 -17.068 -0.901 1.142 1.00 0.00 C ATOM 1022 C THR A 65 -17.442 -2.218 1.740 1.00 0.00 C ATOM 1023 O THR A 65 -18.581 -2.418 2.183 1.00 0.00 O ATOM 1024 CB THR A 65 -16.341 -0.036 2.194 1.00 0.00 C ATOM 1025 OG1 THR A 65 -15.173 -0.697 2.706 1.00 0.00 O ATOM 1026 CG2 THR A 65 -17.280 0.309 3.327 1.00 0.00 C ATOM 0 H THR A 65 -18.899 0.039 1.368 1.00 0.00 H new ATOM 0 HA THR A 65 -16.394 -1.070 0.302 1.00 0.00 H new ATOM 0 HB THR A 65 -16.018 0.881 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.103 -0.538 3.670 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.755 0.919 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 65 -18.133 0.865 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 65 -17.631 -0.608 3.801 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.503 -3.096 1.735 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.637 -4.372 2.345 1.00 0.00 C ATOM 1036 C ARG A 66 -16.271 -4.211 3.804 1.00 0.00 C ATOM 1037 O ARG A 66 -15.461 -3.344 4.151 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.658 -5.348 1.712 1.00 0.00 C ATOM 1039 CG ARG A 66 -15.851 -6.797 2.122 1.00 0.00 C ATOM 1040 CD ARG A 66 -14.746 -7.675 1.565 1.00 0.00 C ATOM 1041 NE ARG A 66 -14.920 -9.088 1.921 1.00 0.00 N ATOM 1042 CZ ARG A 66 -14.222 -9.746 2.869 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -13.378 -9.085 3.662 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -14.405 -11.055 3.036 1.00 0.00 N ATOM 0 H ARG A 66 -15.596 -2.943 1.295 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.653 -4.748 2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.745 -5.277 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.644 -5.043 1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.865 -6.871 3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.817 -7.153 1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.720 -7.577 0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.784 -7.325 1.939 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.627 -9.616 1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.258 -8.078 3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.852 -9.586 4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.071 -11.556 2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.879 -11.556 3.752 1.00 0.00 H new ATOM 1058 N THR A 67 -16.885 -4.966 4.641 1.00 0.00 N ATOM 1059 CA THR A 67 -16.532 -4.997 6.011 1.00 0.00 C ATOM 1060 C THR A 67 -15.660 -6.227 6.254 1.00 0.00 C ATOM 1061 O THR A 67 -15.512 -7.071 5.355 1.00 0.00 O ATOM 1062 CB THR A 67 -17.804 -5.069 6.889 1.00 0.00 C ATOM 1063 OG1 THR A 67 -18.593 -6.213 6.517 1.00 0.00 O ATOM 1064 CG2 THR A 67 -18.640 -3.813 6.720 1.00 0.00 C ATOM 0 H THR A 67 -17.655 -5.586 4.390 1.00 0.00 H new ATOM 0 HA THR A 67 -15.986 -4.091 6.275 1.00 0.00 H new ATOM 0 HB THR A 67 -17.496 -5.156 7.931 1.00 0.00 H new ATOM 0 HG1 THR A 67 -19.514 -6.090 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.530 -3.882 7.345 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.054 -2.943 7.017 1.00 0.00 H new ATOM 0 HG23 THR A 67 -18.937 -3.711 5.676 1.00 0.00 H new ATOM 1072 N SER A 68 -15.103 -6.353 7.450 1.00 0.00 N ATOM 1073 CA SER A 68 -14.334 -7.542 7.833 1.00 0.00 C ATOM 1074 C SER A 68 -15.277 -8.765 7.938 1.00 0.00 C ATOM 1075 O SER A 68 -14.838 -9.892 8.116 1.00 0.00 O ATOM 1076 CB SER A 68 -13.612 -7.283 9.178 1.00 0.00 C ATOM 1077 OG SER A 68 -12.736 -8.350 9.552 1.00 0.00 O ATOM 0 H SER A 68 -15.167 -5.644 8.181 1.00 0.00 H new ATOM 0 HA SER A 68 -13.583 -7.753 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.040 -6.358 9.106 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.355 -7.138 9.962 1.00 0.00 H new ATOM 0 HG SER A 68 -13.020 -9.177 9.110 1.00 0.00 H new ATOM 1083 N ASP A 69 -16.570 -8.504 7.817 1.00 0.00 N ATOM 1084 CA ASP A 69 -17.595 -9.521 7.859 1.00 0.00 C ATOM 1085 C ASP A 69 -17.791 -10.138 6.474 1.00 0.00 C ATOM 1086 O ASP A 69 -18.201 -11.299 6.344 1.00 0.00 O ATOM 1087 CB ASP A 69 -18.906 -8.889 8.338 1.00 0.00 C ATOM 1088 CG ASP A 69 -20.065 -9.842 8.302 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -20.123 -10.750 9.154 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -20.923 -9.710 7.403 1.00 0.00 O ATOM 0 H ASP A 69 -16.937 -7.561 7.685 1.00 0.00 H new ATOM 0 HA ASP A 69 -17.292 -10.310 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -18.775 -8.523 9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -19.135 -8.024 7.715 1.00 0.00 H new ATOM 1095 N GLY A 70 -17.459 -9.376 5.450 1.00 0.00 N ATOM 1096 CA GLY A 70 -17.619 -9.842 4.089 1.00 0.00 C ATOM 1097 C GLY A 70 -18.745 -9.133 3.366 1.00 0.00 C ATOM 1098 O GLY A 70 -18.870 -9.222 2.143 1.00 0.00 O ATOM 0 H GLY A 70 -17.078 -8.434 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.688 -9.690 3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.813 -10.915 4.095 1.00 0.00 H new ATOM 1102 N SER A 71 -19.540 -8.410 4.110 1.00 0.00 N ATOM 1103 CA SER A 71 -20.672 -7.703 3.563 1.00 0.00 C ATOM 1104 C SER A 71 -20.256 -6.313 3.070 1.00 0.00 C ATOM 1105 O SER A 71 -19.229 -5.785 3.490 1.00 0.00 O ATOM 1106 CB SER A 71 -21.743 -7.592 4.637 1.00 0.00 C ATOM 1107 OG SER A 71 -22.075 -8.880 5.134 1.00 0.00 O ATOM 0 H SER A 71 -19.422 -8.293 5.116 1.00 0.00 H new ATOM 0 HA SER A 71 -21.066 -8.252 2.708 1.00 0.00 H new ATOM 0 HB2 SER A 71 -21.388 -6.961 5.451 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.632 -7.113 4.226 1.00 0.00 H new ATOM 0 HG SER A 71 -21.580 -9.048 5.963 1.00 0.00 H new ATOM 1113 N PHE A 72 -21.036 -5.749 2.176 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.784 -4.424 1.647 1.00 0.00 C ATOM 1115 C PHE A 72 -21.840 -3.453 2.130 1.00 0.00 C ATOM 1116 O PHE A 72 -23.003 -3.832 2.300 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.745 -4.429 0.109 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.511 -5.048 -0.488 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.360 -6.423 -0.557 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -18.505 -4.245 -0.996 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -18.225 -6.978 -1.117 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -17.370 -4.796 -1.554 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.231 -6.165 -1.615 1.00 0.00 C ATOM 0 H PHE A 72 -21.868 -6.197 1.792 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.807 -4.105 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.619 -4.965 -0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.827 -3.402 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.136 -7.067 -0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.610 -3.171 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.117 -8.052 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -16.592 -4.155 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.344 -6.600 -2.052 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.439 -2.230 2.359 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.329 -1.178 2.802 1.00 0.00 C ATOM 1135 C GLN A 73 -21.854 0.157 2.236 1.00 0.00 C ATOM 1136 O GLN A 73 -20.650 0.334 1.980 1.00 0.00 O ATOM 1137 CB GLN A 73 -22.355 -1.126 4.338 1.00 0.00 C ATOM 1138 CG GLN A 73 -23.251 -0.035 4.926 1.00 0.00 C ATOM 1139 CD GLN A 73 -23.180 0.047 6.419 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -23.325 1.121 6.984 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -22.977 -1.069 7.072 1.00 0.00 N ATOM 0 H GLN A 73 -20.472 -1.928 2.243 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.339 -1.380 2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.688 -2.093 4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.338 -0.976 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -22.966 0.928 4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.283 -0.222 4.628 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -22.861 -1.945 6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -22.935 -1.063 8.091 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.787 1.070 2.040 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.520 2.394 1.540 1.00 0.00 C ATOM 1152 C GLU A 74 -21.752 3.195 2.595 1.00 0.00 C ATOM 1153 O GLU A 74 -22.159 3.290 3.760 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.852 3.068 1.178 1.00 0.00 C ATOM 1155 CG GLU A 74 -23.745 4.462 0.587 1.00 0.00 C ATOM 1156 CD GLU A 74 -25.089 4.996 0.150 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -25.838 5.551 0.978 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -25.451 4.850 -1.033 1.00 0.00 O ATOM 0 H GLU A 74 -23.775 0.901 2.231 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.903 2.346 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.379 2.431 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.467 3.120 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.309 5.136 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -23.067 4.443 -0.267 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.652 3.733 2.193 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.780 4.460 3.075 1.00 0.00 C ATOM 1167 C ALA A 75 -19.229 5.692 2.391 1.00 0.00 C ATOM 1168 O ALA A 75 -19.349 5.842 1.174 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.650 3.568 3.530 1.00 0.00 C ATOM 0 H ALA A 75 -20.321 3.684 1.230 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.355 4.781 3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.993 4.125 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.057 2.705 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.083 3.229 2.663 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.626 6.562 3.166 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.055 7.801 2.643 1.00 0.00 C ATOM 1177 C ILE A 76 -16.556 7.751 2.853 1.00 0.00 C ATOM 1178 O ILE A 76 -16.091 7.207 3.866 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.551 9.068 3.415 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.045 8.982 3.795 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.275 10.336 2.587 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.992 8.828 2.630 1.00 0.00 C ATOM 0 H ILE A 76 -18.513 6.441 4.172 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.353 7.876 1.597 1.00 0.00 H new ATOM 0 HB ILE A 76 -17.991 9.118 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.184 8.138 4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.316 9.882 4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.625 11.211 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.204 10.426 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.801 10.270 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -22.017 8.777 2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.889 9.683 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.755 7.913 2.087 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.806 8.302 1.929 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.363 8.383 2.078 1.00 0.00 C ATOM 1196 C ILE A 77 -14.035 9.512 3.034 1.00 0.00 C ATOM 1197 O ILE A 77 -14.463 10.640 2.823 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.591 8.661 0.742 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.805 7.583 -0.319 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.098 8.833 0.989 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.131 7.631 -0.986 1.00 0.00 C ATOM 0 H ILE A 77 -16.166 8.703 1.063 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.043 7.407 2.443 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.011 9.590 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -13.027 7.677 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.681 6.605 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.592 9.024 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.935 9.673 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.696 7.924 1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.196 6.831 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.917 7.504 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.254 8.593 -1.483 1.00 0.00 H new ATOM 1213 N SER A 78 -13.327 9.213 4.074 1.00 0.00 N ATOM 1214 CA SER A 78 -12.895 10.221 5.006 1.00 0.00 C ATOM 1215 C SER A 78 -11.369 10.420 4.958 1.00 0.00 C ATOM 1216 O SER A 78 -10.832 11.436 5.425 1.00 0.00 O ATOM 1217 CB SER A 78 -13.399 9.868 6.379 1.00 0.00 C ATOM 1218 OG SER A 78 -13.359 8.466 6.582 1.00 0.00 O ATOM 0 H SER A 78 -13.028 8.266 4.308 1.00 0.00 H new ATOM 0 HA SER A 78 -13.321 11.185 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.792 10.367 7.134 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.420 10.229 6.501 1.00 0.00 H new ATOM 0 HG SER A 78 -13.962 8.224 7.316 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.693 9.459 4.377 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.256 9.492 4.168 1.00 0.00 C ATOM 1226 C LYS A 79 -8.950 8.483 3.096 1.00 0.00 C ATOM 1227 O LYS A 79 -9.686 7.515 2.956 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.449 9.102 5.434 1.00 0.00 C ATOM 1229 CG LYS A 79 -6.941 9.332 5.258 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.100 8.741 6.373 1.00 0.00 C ATOM 1231 CE LYS A 79 -6.396 9.350 7.724 1.00 0.00 C ATOM 1232 NZ LYS A 79 -5.477 8.829 8.750 1.00 0.00 N ATOM 0 H LYS A 79 -11.133 8.609 4.026 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.970 10.510 3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.806 9.684 6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.629 8.053 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.625 8.900 4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.750 10.404 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.273 7.666 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.045 8.884 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.305 10.435 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.425 9.131 8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.701 9.262 9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.583 7.797 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.497 9.060 8.488 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.918 8.698 2.337 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.513 7.729 1.362 1.00 0.00 C ATOM 1248 C LEU A 80 -5.978 7.635 1.295 1.00 0.00 C ATOM 1249 O LEU A 80 -5.281 8.576 0.911 1.00 0.00 O ATOM 1250 CB LEU A 80 -8.270 7.917 -0.003 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.056 9.172 -0.914 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -9.286 9.434 -1.737 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -7.620 10.424 -0.179 1.00 0.00 C ATOM 0 H LEU A 80 -7.340 9.537 2.374 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.829 6.734 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.036 7.045 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.336 7.872 0.222 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.218 8.923 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.123 10.309 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.494 8.569 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.134 9.614 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.497 11.240 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.377 10.696 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.672 10.238 0.326 1.00 0.00 H new ATOM 1265 N THR A 81 -5.477 6.502 1.741 1.00 0.00 N ATOM 1266 CA THR A 81 -4.059 6.268 1.953 1.00 0.00 C ATOM 1267 C THR A 81 -3.464 5.372 0.849 1.00 0.00 C ATOM 1268 O THR A 81 -4.108 4.434 0.404 1.00 0.00 O ATOM 1269 CB THR A 81 -3.908 5.560 3.320 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.645 6.301 4.305 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.460 5.477 3.754 1.00 0.00 C ATOM 0 H THR A 81 -6.058 5.696 1.973 1.00 0.00 H new ATOM 0 HA THR A 81 -3.526 7.218 1.930 1.00 0.00 H new ATOM 0 HB THR A 81 -4.290 4.544 3.222 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.559 5.862 5.177 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.398 4.973 4.718 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.890 4.916 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.049 6.482 3.843 1.00 0.00 H new ATOM 1279 N ASP A 82 -2.255 5.675 0.408 1.00 0.00 N ATOM 1280 CA ASP A 82 -1.584 4.847 -0.595 1.00 0.00 C ATOM 1281 C ASP A 82 -1.084 3.551 0.023 1.00 0.00 C ATOM 1282 O ASP A 82 -0.381 3.553 1.048 1.00 0.00 O ATOM 1283 CB ASP A 82 -0.394 5.557 -1.283 1.00 0.00 C ATOM 1284 CG ASP A 82 -0.771 6.722 -2.176 1.00 0.00 C ATOM 1285 OD1 ASP A 82 -1.029 6.517 -3.381 1.00 0.00 O ATOM 1286 OD2 ASP A 82 -0.756 7.877 -1.694 1.00 0.00 O ATOM 0 H ASP A 82 -1.716 6.482 0.723 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.337 4.644 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.290 5.915 -0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.152 4.825 -1.878 1.00 0.00 H new ATOM 1291 N ALA A 83 -1.456 2.472 -0.579 1.00 0.00 N ATOM 1292 CA ALA A 83 -1.025 1.148 -0.194 1.00 0.00 C ATOM 1293 C ALA A 83 -0.539 0.448 -1.439 1.00 0.00 C ATOM 1294 O ALA A 83 -0.416 1.100 -2.486 1.00 0.00 O ATOM 1295 CB ALA A 83 -2.169 0.389 0.436 1.00 0.00 C ATOM 0 H ALA A 83 -2.088 2.475 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.224 1.203 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.831 -0.607 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.516 0.922 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.987 0.303 -0.280 1.00 0.00 H new ATOM 1301 N SER A 84 -0.279 -0.851 -1.373 1.00 0.00 N ATOM 1302 CA SER A 84 0.215 -1.550 -2.541 1.00 0.00 C ATOM 1303 C SER A 84 0.160 -3.081 -2.446 1.00 0.00 C ATOM 1304 O SER A 84 0.344 -3.671 -1.361 1.00 0.00 O ATOM 1305 CB SER A 84 1.639 -1.083 -2.861 1.00 0.00 C ATOM 1306 OG SER A 84 2.431 -1.046 -1.685 1.00 0.00 O ATOM 0 H SER A 84 -0.400 -1.428 -0.540 1.00 0.00 H new ATOM 0 HA SER A 84 -0.465 -1.292 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.092 -1.755 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.609 -0.093 -3.316 1.00 0.00 H new ATOM 0 HG SER A 84 2.897 -0.185 -1.631 1.00 0.00 H new ATOM 1312 N TRP A 85 -0.157 -3.690 -3.573 1.00 0.00 N ATOM 1313 CA TRP A 85 -0.015 -5.118 -3.780 1.00 0.00 C ATOM 1314 C TRP A 85 1.340 -5.331 -4.429 1.00 0.00 C ATOM 1315 O TRP A 85 1.843 -4.442 -5.133 1.00 0.00 O ATOM 1316 CB TRP A 85 -1.050 -5.719 -4.763 1.00 0.00 C ATOM 1317 CG TRP A 85 -2.496 -5.798 -4.340 1.00 0.00 C ATOM 1318 CD1 TRP A 85 -3.552 -5.194 -4.951 1.00 0.00 C ATOM 1319 CD2 TRP A 85 -3.054 -6.570 -3.260 1.00 0.00 C ATOM 1320 NE1 TRP A 85 -4.726 -5.512 -4.304 1.00 0.00 N ATOM 1321 CE2 TRP A 85 -4.448 -6.353 -3.266 1.00 0.00 C ATOM 1322 CE3 TRP A 85 -2.515 -7.407 -2.285 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 -5.303 -6.947 -2.339 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 -3.364 -7.999 -1.366 1.00 0.00 C ATOM 1325 CH2 TRP A 85 -4.743 -7.765 -1.400 1.00 0.00 C ATOM 0 H TRP A 85 -0.527 -3.196 -4.385 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.149 -5.599 -2.811 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.007 -5.137 -5.683 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -0.723 -6.729 -5.009 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -3.480 -4.556 -5.820 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -5.654 -5.173 -4.560 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -1.451 -7.591 -2.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.368 -6.767 -2.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -2.955 -8.653 -0.610 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -5.378 -8.242 -0.668 1.00 0.00 H new ATOM 1336 N TYR A 86 1.920 -6.455 -4.193 1.00 0.00 N ATOM 1337 CA TYR A 86 3.155 -6.838 -4.808 1.00 0.00 C ATOM 1338 C TYR A 86 2.958 -8.190 -5.431 1.00 0.00 C ATOM 1339 O TYR A 86 2.623 -9.162 -4.739 1.00 0.00 O ATOM 1340 CB TYR A 86 4.311 -6.899 -3.782 1.00 0.00 C ATOM 1341 CG TYR A 86 4.615 -5.582 -3.095 1.00 0.00 C ATOM 1342 CD1 TYR A 86 3.804 -5.123 -2.081 1.00 0.00 C ATOM 1343 CD2 TYR A 86 5.709 -4.803 -3.462 1.00 0.00 C ATOM 1344 CE1 TYR A 86 4.051 -3.942 -1.453 1.00 0.00 C ATOM 1345 CE2 TYR A 86 5.974 -3.597 -2.827 1.00 0.00 C ATOM 1346 CZ TYR A 86 5.126 -3.179 -1.814 1.00 0.00 C ATOM 1347 OH TYR A 86 5.346 -1.993 -1.163 1.00 0.00 O ATOM 0 H TYR A 86 1.545 -7.155 -3.553 1.00 0.00 H new ATOM 0 HA TYR A 86 3.427 -6.095 -5.557 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.067 -7.642 -3.023 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.211 -7.246 -4.289 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.953 -5.714 -1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.362 -5.142 -4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.394 -3.605 -0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.824 -2.997 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 86 4.527 -1.455 -1.178 1.00 0.00 H new ATOM 1357 N THR A 87 3.081 -8.249 -6.714 1.00 0.00 N ATOM 1358 CA THR A 87 3.006 -9.466 -7.404 1.00 0.00 C ATOM 1359 C THR A 87 4.386 -10.053 -7.392 1.00 0.00 C ATOM 1360 O THR A 87 5.301 -9.542 -8.063 1.00 0.00 O ATOM 1361 CB THR A 87 2.541 -9.258 -8.843 1.00 0.00 C ATOM 1362 OG1 THR A 87 1.298 -8.536 -8.847 1.00 0.00 O ATOM 1363 CG2 THR A 87 2.344 -10.596 -9.514 1.00 0.00 C ATOM 0 H THR A 87 3.238 -7.436 -7.309 1.00 0.00 H new ATOM 0 HA THR A 87 2.284 -10.128 -6.927 1.00 0.00 H new ATOM 0 HB THR A 87 3.296 -8.689 -9.385 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.001 -8.401 -9.771 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.012 -10.443 -10.541 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.286 -11.145 -9.515 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.592 -11.168 -8.971 1.00 0.00 H new ATOM 1371 N VAL A 88 4.557 -11.050 -6.593 1.00 0.00 N ATOM 1372 CA VAL A 88 5.824 -11.667 -6.412 1.00 0.00 C ATOM 1373 C VAL A 88 5.835 -13.049 -7.048 1.00 0.00 C ATOM 1374 O VAL A 88 4.841 -13.779 -7.009 1.00 0.00 O ATOM 1375 CB VAL A 88 6.209 -11.727 -4.911 1.00 0.00 C ATOM 1376 CG1 VAL A 88 6.446 -10.336 -4.363 1.00 0.00 C ATOM 1377 CG2 VAL A 88 5.125 -12.395 -4.111 1.00 0.00 C ATOM 0 H VAL A 88 3.808 -11.465 -6.039 1.00 0.00 H new ATOM 0 HA VAL A 88 6.578 -11.059 -6.913 1.00 0.00 H new ATOM 0 HB VAL A 88 7.128 -12.308 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.715 -10.401 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.256 -9.861 -4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.538 -9.743 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.415 -12.427 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.197 -11.832 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.976 -13.411 -4.477 1.00 0.00 H new ATOM 1387 N VAL A 89 6.936 -13.378 -7.640 1.00 0.00 N ATOM 1388 CA VAL A 89 7.095 -14.614 -8.365 1.00 0.00 C ATOM 1389 C VAL A 89 7.990 -15.569 -7.595 1.00 0.00 C ATOM 1390 O VAL A 89 9.025 -15.178 -7.073 1.00 0.00 O ATOM 1391 CB VAL A 89 7.673 -14.362 -9.802 1.00 0.00 C ATOM 1392 CG1 VAL A 89 9.079 -13.772 -9.766 1.00 0.00 C ATOM 1393 CG2 VAL A 89 7.646 -15.617 -10.648 1.00 0.00 C ATOM 0 H VAL A 89 7.770 -12.791 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 89 6.109 -15.066 -8.475 1.00 0.00 H new ATOM 0 HB VAL A 89 7.018 -13.625 -10.267 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.434 -13.616 -10.785 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.060 -12.818 -9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.749 -14.459 -9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.055 -15.399 -11.635 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.246 -16.391 -10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.618 -15.965 -10.750 1.00 0.00 H new ATOM 1403 N PHE A 90 7.584 -16.792 -7.502 1.00 0.00 N ATOM 1404 CA PHE A 90 8.368 -17.790 -6.830 1.00 0.00 C ATOM 1405 C PHE A 90 9.449 -18.270 -7.763 1.00 0.00 C ATOM 1406 O PHE A 90 9.399 -18.005 -8.967 1.00 0.00 O ATOM 1407 CB PHE A 90 7.511 -18.994 -6.464 1.00 0.00 C ATOM 1408 CG PHE A 90 6.318 -18.684 -5.637 1.00 0.00 C ATOM 1409 CD1 PHE A 90 6.447 -18.033 -4.429 1.00 0.00 C ATOM 1410 CD2 PHE A 90 5.062 -19.072 -6.060 1.00 0.00 C ATOM 1411 CE1 PHE A 90 5.345 -17.772 -3.659 1.00 0.00 C ATOM 1412 CE2 PHE A 90 3.958 -18.812 -5.299 1.00 0.00 C ATOM 1413 CZ PHE A 90 4.098 -18.164 -4.095 1.00 0.00 C ATOM 0 H PHE A 90 6.703 -17.133 -7.886 1.00 0.00 H new ATOM 0 HA PHE A 90 8.786 -17.347 -5.926 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.182 -19.480 -7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.130 -19.713 -5.927 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.425 -17.726 -4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.951 -19.587 -7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.453 -17.261 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.979 -19.114 -5.642 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.228 -17.961 -3.489 1.00 0.00 H new ATOM 1423 N ASP A 91 10.378 -19.030 -7.230 1.00 0.00 N ATOM 1424 CA ASP A 91 11.436 -19.662 -8.022 1.00 0.00 C ATOM 1425 C ASP A 91 10.824 -20.653 -9.011 1.00 0.00 C ATOM 1426 O ASP A 91 11.415 -20.981 -10.038 1.00 0.00 O ATOM 1427 CB ASP A 91 12.447 -20.357 -7.101 1.00 0.00 C ATOM 1428 CG ASP A 91 11.814 -21.336 -6.132 1.00 0.00 C ATOM 1429 OD1 ASP A 91 11.204 -20.891 -5.137 1.00 0.00 O ATOM 1430 OD2 ASP A 91 11.921 -22.567 -6.328 1.00 0.00 O ATOM 0 H ASP A 91 10.431 -19.235 -6.232 1.00 0.00 H new ATOM 0 HA ASP A 91 11.966 -18.895 -8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.179 -20.886 -7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.991 -19.600 -6.536 1.00 0.00 H new ATOM 1435 N ASP A 92 9.604 -21.075 -8.699 1.00 0.00 N ATOM 1436 CA ASP A 92 8.793 -21.951 -9.549 1.00 0.00 C ATOM 1437 C ASP A 92 8.340 -21.222 -10.833 1.00 0.00 C ATOM 1438 O ASP A 92 7.977 -21.848 -11.827 1.00 0.00 O ATOM 1439 CB ASP A 92 7.564 -22.411 -8.742 1.00 0.00 C ATOM 1440 CG ASP A 92 6.509 -23.136 -9.561 1.00 0.00 C ATOM 1441 OD1 ASP A 92 6.670 -24.335 -9.844 1.00 0.00 O ATOM 1442 OD2 ASP A 92 5.472 -22.521 -9.888 1.00 0.00 O ATOM 0 H ASP A 92 9.137 -20.814 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 92 9.392 -22.810 -9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.897 -23.068 -7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 92 7.107 -21.540 -8.272 1.00 0.00 H new ATOM 1447 N GLY A 93 8.408 -19.903 -10.817 1.00 0.00 N ATOM 1448 CA GLY A 93 8.007 -19.123 -11.970 1.00 0.00 C ATOM 1449 C GLY A 93 6.558 -18.686 -11.904 1.00 0.00 C ATOM 1450 O GLY A 93 6.061 -18.013 -12.808 1.00 0.00 O ATOM 0 H GLY A 93 8.735 -19.354 -10.022 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.645 -18.242 -12.048 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.164 -19.711 -12.874 1.00 0.00 H new ATOM 1454 N ASP A 94 5.892 -19.061 -10.846 1.00 0.00 N ATOM 1455 CA ASP A 94 4.500 -18.693 -10.632 1.00 0.00 C ATOM 1456 C ASP A 94 4.450 -17.482 -9.746 1.00 0.00 C ATOM 1457 O ASP A 94 5.266 -17.351 -8.833 1.00 0.00 O ATOM 1458 CB ASP A 94 3.746 -19.839 -9.987 1.00 0.00 C ATOM 1459 CG ASP A 94 2.285 -19.552 -9.736 1.00 0.00 C ATOM 1460 OD1 ASP A 94 1.463 -19.701 -10.672 1.00 0.00 O ATOM 1461 OD2 ASP A 94 1.930 -19.202 -8.619 1.00 0.00 O ATOM 0 H ASP A 94 6.291 -19.632 -10.101 1.00 0.00 H new ATOM 0 HA ASP A 94 4.031 -18.470 -11.590 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.828 -20.719 -10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.224 -20.087 -9.040 1.00 0.00 H new ATOM 1466 N GLU A 95 3.538 -16.604 -10.011 1.00 0.00 N ATOM 1467 CA GLU A 95 3.443 -15.376 -9.269 1.00 0.00 C ATOM 1468 C GLU A 95 2.123 -15.239 -8.520 1.00 0.00 C ATOM 1469 O GLU A 95 1.048 -15.612 -9.027 1.00 0.00 O ATOM 1470 CB GLU A 95 3.699 -14.185 -10.188 1.00 0.00 C ATOM 1471 CG GLU A 95 2.854 -14.182 -11.450 1.00 0.00 C ATOM 1472 CD GLU A 95 3.107 -12.977 -12.310 1.00 0.00 C ATOM 1473 OE1 GLU A 95 4.217 -12.865 -12.902 1.00 0.00 O ATOM 1474 OE2 GLU A 95 2.219 -12.118 -12.421 1.00 0.00 O ATOM 0 H GLU A 95 2.837 -16.711 -10.744 1.00 0.00 H new ATOM 0 HA GLU A 95 4.217 -15.396 -8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.509 -13.265 -9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.752 -14.176 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.062 -15.084 -12.025 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.799 -14.214 -11.177 1.00 0.00 H new ATOM 1481 N ARG A 96 2.214 -14.750 -7.306 1.00 0.00 N ATOM 1482 CA ARG A 96 1.062 -14.490 -6.457 1.00 0.00 C ATOM 1483 C ARG A 96 1.096 -13.032 -6.025 1.00 0.00 C ATOM 1484 O ARG A 96 2.173 -12.473 -5.800 1.00 0.00 O ATOM 1485 CB ARG A 96 1.066 -15.399 -5.213 1.00 0.00 C ATOM 1486 CG ARG A 96 0.930 -16.911 -5.471 1.00 0.00 C ATOM 1487 CD ARG A 96 -0.457 -17.317 -5.980 1.00 0.00 C ATOM 1488 NE ARG A 96 -0.755 -16.786 -7.314 1.00 0.00 N ATOM 1489 CZ ARG A 96 -1.941 -16.815 -7.912 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -2.960 -17.447 -7.353 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -2.091 -16.232 -9.090 1.00 0.00 N ATOM 0 H ARG A 96 3.104 -14.515 -6.867 1.00 0.00 H new ATOM 0 HA ARG A 96 0.154 -14.701 -7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.994 -15.227 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.250 -15.089 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.681 -17.217 -6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.143 -17.451 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.525 -18.405 -6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.213 -16.966 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 96 0.015 -16.357 -7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.839 -17.917 -6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.867 -17.464 -7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.299 -15.765 -9.532 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.998 -16.250 -9.556 1.00 0.00 H new ATOM 1505 N THR A 97 -0.047 -12.416 -5.944 1.00 0.00 N ATOM 1506 CA THR A 97 -0.135 -11.036 -5.561 1.00 0.00 C ATOM 1507 C THR A 97 -0.592 -10.891 -4.089 1.00 0.00 C ATOM 1508 O THR A 97 -1.682 -11.331 -3.715 1.00 0.00 O ATOM 1509 CB THR A 97 -1.090 -10.310 -6.525 1.00 0.00 C ATOM 1510 OG1 THR A 97 -0.626 -10.511 -7.875 1.00 0.00 O ATOM 1511 CG2 THR A 97 -1.127 -8.835 -6.240 1.00 0.00 C ATOM 0 H THR A 97 -0.946 -12.856 -6.142 1.00 0.00 H new ATOM 0 HA THR A 97 0.852 -10.578 -5.627 1.00 0.00 H new ATOM 0 HB THR A 97 -2.093 -10.715 -6.393 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.010 -9.804 -8.111 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.809 -8.347 -6.936 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.471 -8.670 -5.219 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.128 -8.416 -6.358 1.00 0.00 H new ATOM 1519 N LEU A 98 0.264 -10.310 -3.271 1.00 0.00 N ATOM 1520 CA LEU A 98 -0.013 -10.081 -1.856 1.00 0.00 C ATOM 1521 C LEU A 98 0.503 -8.706 -1.439 1.00 0.00 C ATOM 1522 O LEU A 98 1.145 -8.048 -2.223 1.00 0.00 O ATOM 1523 CB LEU A 98 0.521 -11.219 -0.935 1.00 0.00 C ATOM 1524 CG LEU A 98 1.945 -11.735 -1.139 1.00 0.00 C ATOM 1525 CD1 LEU A 98 2.367 -12.466 0.107 1.00 0.00 C ATOM 1526 CD2 LEU A 98 1.996 -12.715 -2.299 1.00 0.00 C ATOM 0 H LEU A 98 1.182 -9.978 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.095 -10.098 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.442 -10.872 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.154 -12.069 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 98 2.602 -10.891 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.382 -12.843 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.335 -11.784 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.690 -13.301 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.018 -13.072 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.340 -13.560 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.667 -12.217 -3.211 1.00 0.00 H new ATOM 1538 N ARG A 99 0.224 -8.268 -0.223 1.00 0.00 N ATOM 1539 CA ARG A 99 0.562 -6.895 0.180 1.00 0.00 C ATOM 1540 C ARG A 99 1.911 -6.818 0.911 1.00 0.00 C ATOM 1541 O ARG A 99 2.500 -7.844 1.229 1.00 0.00 O ATOM 1542 CB ARG A 99 -0.579 -6.256 1.004 1.00 0.00 C ATOM 1543 CG ARG A 99 -0.906 -6.940 2.325 1.00 0.00 C ATOM 1544 CD ARG A 99 -2.111 -6.286 3.013 1.00 0.00 C ATOM 1545 NE ARG A 99 -1.910 -4.844 3.300 1.00 0.00 N ATOM 1546 CZ ARG A 99 -2.177 -4.233 4.482 1.00 0.00 C ATOM 1547 NH1 ARG A 99 -2.596 -4.941 5.536 1.00 0.00 N ATOM 1548 NH2 ARG A 99 -1.998 -2.915 4.605 1.00 0.00 N ATOM 0 H ARG A 99 -0.229 -8.827 0.500 1.00 0.00 H new ATOM 0 HA ARG A 99 0.674 -6.311 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.316 -5.218 1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -1.480 -6.242 0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.115 -7.995 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.039 -6.893 2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.991 -6.405 2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.317 -6.810 3.946 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.541 -4.264 2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.718 -5.951 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.794 -4.472 6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.661 -2.370 3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.198 -2.454 5.492 1.00 0.00 H new ATOM 1562 N ARG A 100 2.369 -5.594 1.206 1.00 0.00 N ATOM 1563 CA ARG A 100 3.698 -5.360 1.816 1.00 0.00 C ATOM 1564 C ARG A 100 3.837 -6.084 3.146 1.00 0.00 C ATOM 1565 O ARG A 100 4.856 -6.677 3.427 1.00 0.00 O ATOM 1566 CB ARG A 100 3.954 -3.861 2.046 1.00 0.00 C ATOM 1567 CG ARG A 100 5.386 -3.536 2.436 1.00 0.00 C ATOM 1568 CD ARG A 100 5.564 -2.064 2.772 1.00 0.00 C ATOM 1569 NE ARG A 100 4.771 -1.669 3.939 1.00 0.00 N ATOM 1570 CZ ARG A 100 5.255 -1.525 5.180 1.00 0.00 C ATOM 1571 NH1 ARG A 100 6.561 -1.646 5.407 1.00 0.00 N ATOM 1572 NH2 ARG A 100 4.437 -1.216 6.178 1.00 0.00 N ATOM 0 H ARG A 100 1.839 -4.740 1.033 1.00 0.00 H new ATOM 0 HA ARG A 100 4.433 -5.751 1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.702 -3.315 1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.284 -3.503 2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.674 -4.142 3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.055 -3.805 1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.618 -1.860 2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.273 -1.458 1.914 1.00 0.00 H new ATOM 0 HE ARG A 100 3.777 -1.490 3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.196 -1.849 4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.927 -1.536 6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.441 -1.088 6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.804 -1.106 7.123 1.00 0.00 H new ATOM 1586 N THR A 101 2.791 -6.061 3.927 1.00 0.00 N ATOM 1587 CA THR A 101 2.790 -6.664 5.236 1.00 0.00 C ATOM 1588 C THR A 101 2.484 -8.169 5.214 1.00 0.00 C ATOM 1589 O THR A 101 2.218 -8.784 6.244 1.00 0.00 O ATOM 1590 CB THR A 101 1.846 -5.898 6.139 1.00 0.00 C ATOM 1591 OG1 THR A 101 0.765 -5.362 5.332 1.00 0.00 O ATOM 1592 CG2 THR A 101 2.594 -4.765 6.831 1.00 0.00 C ATOM 0 H THR A 101 1.907 -5.620 3.672 1.00 0.00 H new ATOM 0 HA THR A 101 3.801 -6.596 5.637 1.00 0.00 H new ATOM 0 HB THR A 101 1.442 -6.562 6.903 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.145 -4.865 5.905 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.908 -4.219 7.479 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.407 -5.177 7.429 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.002 -4.087 6.081 1.00 0.00 H new ATOM 1600 N SER A 102 2.511 -8.743 4.041 1.00 0.00 N ATOM 1601 CA SER A 102 2.447 -10.165 3.909 1.00 0.00 C ATOM 1602 C SER A 102 3.759 -10.654 3.300 1.00 0.00 C ATOM 1603 O SER A 102 3.956 -11.843 3.003 1.00 0.00 O ATOM 1604 CB SER A 102 1.186 -10.610 3.153 1.00 0.00 C ATOM 1605 OG SER A 102 0.971 -9.847 1.982 1.00 0.00 O ATOM 0 H SER A 102 2.578 -8.237 3.158 1.00 0.00 H new ATOM 0 HA SER A 102 2.345 -10.636 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.276 -11.663 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.320 -10.519 3.808 1.00 0.00 H new ATOM 0 HG SER A 102 1.812 -9.426 1.707 1.00 0.00 H new ATOM 1611 N LEU A 103 4.654 -9.693 3.160 1.00 0.00 N ATOM 1612 CA LEU A 103 5.998 -9.870 2.711 1.00 0.00 C ATOM 1613 C LEU A 103 6.871 -9.573 3.888 1.00 0.00 C ATOM 1614 O LEU A 103 6.474 -8.821 4.772 1.00 0.00 O ATOM 1615 CB LEU A 103 6.360 -8.885 1.577 1.00 0.00 C ATOM 1616 CG LEU A 103 6.080 -9.291 0.121 1.00 0.00 C ATOM 1617 CD1 LEU A 103 4.645 -9.677 -0.101 1.00 0.00 C ATOM 1618 CD2 LEU A 103 6.461 -8.154 -0.807 1.00 0.00 C ATOM 0 H LEU A 103 4.437 -8.719 3.372 1.00 0.00 H new ATOM 0 HA LEU A 103 6.127 -10.881 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.827 -7.953 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.425 -8.666 1.659 1.00 0.00 H new ATOM 0 HG LEU A 103 6.686 -10.170 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.500 -9.955 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.393 -10.523 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.999 -8.833 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.262 -8.444 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.874 -7.270 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.521 -7.930 -0.692 1.00 0.00 H new ATOM 1630 N CYS A 104 8.021 -10.145 3.924 1.00 0.00 N ATOM 1631 CA CYS A 104 8.909 -9.884 5.028 1.00 0.00 C ATOM 1632 C CYS A 104 9.815 -8.688 4.738 1.00 0.00 C ATOM 1633 O CYS A 104 10.203 -7.951 5.649 1.00 0.00 O ATOM 1634 CB CYS A 104 9.737 -11.117 5.355 1.00 0.00 C ATOM 1635 SG CYS A 104 8.756 -12.609 5.640 1.00 0.00 S ATOM 0 H CYS A 104 8.377 -10.790 3.218 1.00 0.00 H new ATOM 0 HA CYS A 104 8.298 -9.639 5.897 1.00 0.00 H new ATOM 0 HB2 CYS A 104 10.432 -11.303 4.536 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.337 -10.914 6.242 1.00 0.00 H new ATOM 0 HG CYS A 104 8.321 -12.615 6.865 1.00 0.00 H new ATOM 1641 N LEU A 105 10.110 -8.477 3.443 1.00 0.00 N ATOM 1642 CA LEU A 105 11.064 -7.452 2.969 1.00 0.00 C ATOM 1643 C LEU A 105 12.470 -7.724 3.481 1.00 0.00 C ATOM 1644 O LEU A 105 13.337 -8.134 2.703 1.00 0.00 O ATOM 1645 CB LEU A 105 10.622 -6.003 3.266 1.00 0.00 C ATOM 1646 CG LEU A 105 9.432 -5.467 2.458 1.00 0.00 C ATOM 1647 CD1 LEU A 105 9.085 -4.064 2.912 1.00 0.00 C ATOM 1648 CD2 LEU A 105 9.756 -5.457 0.966 1.00 0.00 C ATOM 0 H LEU A 105 9.690 -9.017 2.687 1.00 0.00 H new ATOM 0 HA LEU A 105 11.073 -7.537 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.374 -5.933 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.474 -5.345 3.094 1.00 0.00 H new ATOM 0 HG LEU A 105 8.579 -6.124 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.240 -3.693 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.822 -4.078 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.944 -3.410 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.900 -5.074 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.621 -4.819 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.979 -6.471 0.635 1.00 0.00 H new ATOM 1660 N LYS A 106 12.670 -7.513 4.777 1.00 0.00 N ATOM 1661 CA LYS A 106 13.916 -7.777 5.469 1.00 0.00 C ATOM 1662 C LYS A 106 13.811 -7.305 6.913 1.00 0.00 C ATOM 1663 O LYS A 106 14.050 -8.080 7.855 1.00 0.00 O ATOM 1664 CB LYS A 106 15.114 -7.089 4.795 1.00 0.00 C ATOM 1665 CG LYS A 106 16.469 -7.594 5.275 1.00 0.00 C ATOM 1666 CD LYS A 106 16.629 -9.103 5.039 1.00 0.00 C ATOM 1667 CE LYS A 106 16.458 -9.476 3.568 1.00 0.00 C ATOM 1668 NZ LYS A 106 16.553 -10.932 3.339 1.00 0.00 N ATOM 0 H LYS A 106 11.944 -7.142 5.390 1.00 0.00 H new ATOM 0 HA LYS A 106 14.087 -8.853 5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 106 15.044 -7.235 3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 106 15.053 -6.016 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 106 17.262 -7.058 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 106 16.582 -7.378 6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 106 17.614 -9.420 5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 106 15.895 -9.643 5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 106 15.490 -9.118 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 106 17.220 -8.968 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 16.430 -11.133 2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 17.486 -11.272 3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 15.810 -11.418 3.881 1.00 0.00 H new ATOM 1682 N GLY A 107 13.436 -6.051 7.081 1.00 0.00 N ATOM 1683 CA GLY A 107 13.377 -5.464 8.397 1.00 0.00 C ATOM 1684 C GLY A 107 11.976 -5.341 8.934 1.00 0.00 C ATOM 1685 O GLY A 107 11.782 -4.895 10.066 1.00 0.00 O ATOM 0 H GLY A 107 13.169 -5.424 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.970 -6.069 9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.835 -4.475 8.367 1.00 0.00 H new ATOM 1689 N GLU A 108 10.999 -5.704 8.142 1.00 0.00 N ATOM 1690 CA GLU A 108 9.637 -5.676 8.611 1.00 0.00 C ATOM 1691 C GLU A 108 9.364 -7.020 9.236 1.00 0.00 C ATOM 1692 O GLU A 108 9.754 -8.048 8.684 1.00 0.00 O ATOM 1693 CB GLU A 108 8.623 -5.461 7.470 1.00 0.00 C ATOM 1694 CG GLU A 108 8.869 -4.259 6.571 1.00 0.00 C ATOM 1695 CD GLU A 108 9.010 -2.951 7.307 1.00 0.00 C ATOM 1696 OE1 GLU A 108 7.982 -2.309 7.635 1.00 0.00 O ATOM 1697 OE2 GLU A 108 10.163 -2.503 7.537 1.00 0.00 O ATOM 0 H GLU A 108 11.119 -6.019 7.179 1.00 0.00 H new ATOM 0 HA GLU A 108 9.523 -4.847 9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.611 -6.357 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.630 -5.364 7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.774 -4.434 5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.045 -4.176 5.862 1.00 0.00 H new ATOM 1704 N ARG A 109 8.751 -7.038 10.372 1.00 0.00 N ATOM 1705 CA ARG A 109 8.411 -8.285 10.963 1.00 0.00 C ATOM 1706 C ARG A 109 7.047 -8.187 11.578 1.00 0.00 C ATOM 1707 O ARG A 109 6.877 -8.128 12.793 1.00 0.00 O ATOM 1708 CB ARG A 109 9.470 -8.800 11.945 1.00 0.00 C ATOM 1709 CG ARG A 109 9.284 -10.265 12.308 1.00 0.00 C ATOM 1710 CD ARG A 109 10.436 -10.796 13.150 1.00 0.00 C ATOM 1711 NE ARG A 109 11.751 -10.589 12.512 1.00 0.00 N ATOM 1712 CZ ARG A 109 12.256 -11.299 11.484 1.00 0.00 C ATOM 1713 NH1 ARG A 109 11.553 -12.281 10.923 1.00 0.00 N ATOM 1714 NH2 ARG A 109 13.482 -11.040 11.039 1.00 0.00 N ATOM 0 H ARG A 109 8.478 -6.212 10.904 1.00 0.00 H new ATOM 0 HA ARG A 109 8.386 -9.038 10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.459 -8.663 11.508 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.437 -8.199 12.854 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.349 -10.387 12.855 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.199 -10.856 11.396 1.00 0.00 H new ATOM 0 HD2 ARG A 109 10.427 -10.303 14.122 1.00 0.00 H new ATOM 0 HD3 ARG A 109 10.288 -11.861 13.331 1.00 0.00 H new ATOM 0 HE ARG A 109 12.332 -9.838 12.884 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.620 -12.504 11.271 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.947 -12.811 10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 109 14.038 -10.305 11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.866 -11.576 10.261 1.00 0.00 H new ATOM 1728 N HIS A 110 6.098 -8.059 10.715 1.00 0.00 N ATOM 1729 CA HIS A 110 4.712 -8.009 11.057 1.00 0.00 C ATOM 1730 C HIS A 110 3.989 -8.857 10.081 1.00 0.00 C ATOM 1731 O HIS A 110 4.047 -8.607 8.888 1.00 0.00 O ATOM 1732 CB HIS A 110 4.158 -6.566 11.027 1.00 0.00 C ATOM 1733 CG HIS A 110 2.645 -6.478 11.138 1.00 0.00 C ATOM 1734 ND1 HIS A 110 1.960 -6.556 12.324 1.00 0.00 N ATOM 1735 CD2 HIS A 110 1.698 -6.339 10.177 1.00 0.00 C ATOM 1736 CE1 HIS A 110 0.664 -6.472 12.088 1.00 0.00 C ATOM 1737 NE2 HIS A 110 0.484 -6.338 10.797 1.00 0.00 N ATOM 0 H HIS A 110 6.270 -7.983 9.712 1.00 0.00 H new ATOM 0 HA HIS A 110 4.574 -8.371 12.076 1.00 0.00 H new ATOM 0 HB2 HIS A 110 4.605 -6.000 11.844 1.00 0.00 H new ATOM 0 HB3 HIS A 110 4.472 -6.087 10.099 1.00 0.00 H new ATOM 0 HD2 HIS A 110 1.874 -6.246 9.115 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -0.117 -6.508 12.833 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -0.419 -6.248 10.331 1.00 0.00 H new ATOM 1746 N PHE A 111 3.337 -9.850 10.565 1.00 0.00 N ATOM 1747 CA PHE A 111 2.606 -10.725 9.719 1.00 0.00 C ATOM 1748 C PHE A 111 1.135 -10.589 10.065 1.00 0.00 C ATOM 1749 O PHE A 111 0.772 -9.691 10.835 1.00 0.00 O ATOM 1750 CB PHE A 111 3.143 -12.158 9.860 1.00 0.00 C ATOM 1751 CG PHE A 111 4.635 -12.221 9.617 1.00 0.00 C ATOM 1752 CD1 PHE A 111 5.173 -11.908 8.369 1.00 0.00 C ATOM 1753 CD2 PHE A 111 5.502 -12.558 10.644 1.00 0.00 C ATOM 1754 CE1 PHE A 111 6.536 -11.928 8.165 1.00 0.00 C ATOM 1755 CE2 PHE A 111 6.869 -12.587 10.438 1.00 0.00 C ATOM 1756 CZ PHE A 111 7.386 -12.270 9.199 1.00 0.00 C ATOM 0 H PHE A 111 3.294 -10.081 11.558 1.00 0.00 H new ATOM 0 HA PHE A 111 2.727 -10.465 8.667 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.920 -12.534 10.859 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.631 -12.810 9.153 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.515 -11.647 7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 111 5.105 -12.801 11.618 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.940 -11.676 7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 111 7.532 -12.858 11.247 1.00 0.00 H new ATOM 0 HZ PHE A 111 8.454 -12.289 9.038 1.00 0.00 H new ATOM 1766 N ALA A 112 0.305 -11.457 9.555 1.00 0.00 N ATOM 1767 CA ALA A 112 -1.132 -11.316 9.710 1.00 0.00 C ATOM 1768 C ALA A 112 -1.794 -12.617 9.371 1.00 0.00 C ATOM 1769 O ALA A 112 -2.198 -12.857 8.228 1.00 0.00 O ATOM 1770 CB ALA A 112 -1.680 -10.188 8.831 1.00 0.00 C ATOM 0 H ALA A 112 0.594 -12.278 9.023 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.349 -11.055 10.746 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.758 -10.109 8.971 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.208 -9.246 9.111 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.465 -10.405 7.785 1.00 0.00 H new ATOM 1776 N GLU A 113 -1.809 -13.482 10.320 1.00 0.00 N ATOM 1777 CA GLU A 113 -2.365 -14.788 10.159 1.00 0.00 C ATOM 1778 C GLU A 113 -3.720 -14.866 10.784 1.00 0.00 C ATOM 1779 O GLU A 113 -3.867 -14.798 12.014 1.00 0.00 O ATOM 1780 CB GLU A 113 -1.436 -15.834 10.752 1.00 0.00 C ATOM 1781 CG GLU A 113 -0.380 -16.404 9.792 1.00 0.00 C ATOM 1782 CD GLU A 113 0.230 -15.396 8.828 1.00 0.00 C ATOM 1783 OE1 GLU A 113 0.815 -14.382 9.261 1.00 0.00 O ATOM 1784 OE2 GLU A 113 0.090 -15.598 7.588 1.00 0.00 O ATOM 0 H GLU A 113 -1.429 -13.304 11.250 1.00 0.00 H new ATOM 0 HA GLU A 113 -2.474 -14.989 9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.924 -15.396 11.608 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.040 -16.659 11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 113 0.421 -16.850 10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.835 -17.208 9.213 1.00 0.00 H new ATOM 1791 N SER A 114 -4.694 -14.935 9.955 1.00 0.00 N ATOM 1792 CA SER A 114 -6.037 -15.091 10.362 1.00 0.00 C ATOM 1793 C SER A 114 -6.417 -16.556 10.193 1.00 0.00 C ATOM 1794 O SER A 114 -5.537 -17.395 9.926 1.00 0.00 O ATOM 1795 CB SER A 114 -6.885 -14.172 9.498 1.00 0.00 C ATOM 1796 OG SER A 114 -6.567 -14.348 8.118 1.00 0.00 O ATOM 0 H SER A 114 -4.573 -14.883 8.943 1.00 0.00 H new ATOM 0 HA SER A 114 -6.192 -14.824 11.407 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.942 -14.381 9.663 1.00 0.00 H new ATOM 0 HB3 SER A 114 -6.717 -13.134 9.786 1.00 0.00 H new ATOM 0 HG SER A 114 -7.384 -14.558 7.618 1.00 0.00 H new ATOM 1802 N GLU A 115 -7.669 -16.889 10.356 1.00 0.00 N ATOM 1803 CA GLU A 115 -8.067 -18.245 10.172 1.00 0.00 C ATOM 1804 C GLU A 115 -8.249 -18.474 8.687 1.00 0.00 C ATOM 1805 O GLU A 115 -7.585 -19.325 8.091 1.00 0.00 O ATOM 1806 CB GLU A 115 -9.335 -18.559 10.947 1.00 0.00 C ATOM 1807 CG GLU A 115 -9.447 -20.020 11.295 1.00 0.00 C ATOM 1808 CD GLU A 115 -8.230 -20.475 12.069 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -8.146 -20.207 13.295 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -7.301 -21.057 11.453 1.00 0.00 O ATOM 0 H GLU A 115 -8.417 -16.245 10.612 1.00 0.00 H new ATOM 0 HA GLU A 115 -7.301 -18.917 10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.354 -17.968 11.862 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.202 -18.261 10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.346 -20.191 11.887 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.548 -20.610 10.384 1.00 0.00 H new ATOM 1817 N THR A 116 -9.102 -17.685 8.085 1.00 0.00 N ATOM 1818 CA THR A 116 -9.270 -17.719 6.673 1.00 0.00 C ATOM 1819 C THR A 116 -8.418 -16.611 6.080 1.00 0.00 C ATOM 1820 O THR A 116 -8.436 -15.480 6.573 1.00 0.00 O ATOM 1821 CB THR A 116 -10.758 -17.542 6.273 1.00 0.00 C ATOM 1822 OG1 THR A 116 -11.302 -16.355 6.879 1.00 0.00 O ATOM 1823 CG2 THR A 116 -11.583 -18.751 6.693 1.00 0.00 C ATOM 0 H THR A 116 -9.693 -17.007 8.566 1.00 0.00 H new ATOM 0 HA THR A 116 -8.957 -18.689 6.288 1.00 0.00 H new ATOM 0 HB THR A 116 -10.803 -17.447 5.188 1.00 0.00 H new ATOM 0 HG1 THR A 116 -11.351 -15.640 6.211 1.00 0.00 H new ATOM 0 HG21 THR A 116 -12.622 -18.601 6.401 1.00 0.00 H new ATOM 0 HG22 THR A 116 -11.194 -19.644 6.205 1.00 0.00 H new ATOM 0 HG23 THR A 116 -11.524 -18.874 7.774 1.00 0.00 H new ATOM 1831 N LEU A 117 -7.622 -16.928 5.093 1.00 0.00 N ATOM 1832 CA LEU A 117 -6.796 -15.922 4.473 1.00 0.00 C ATOM 1833 C LEU A 117 -7.616 -15.329 3.341 1.00 0.00 C ATOM 1834 O LEU A 117 -7.825 -15.983 2.311 1.00 0.00 O ATOM 1835 CB LEU A 117 -5.477 -16.564 3.960 1.00 0.00 C ATOM 1836 CG LEU A 117 -4.259 -15.632 3.690 1.00 0.00 C ATOM 1837 CD1 LEU A 117 -4.519 -14.613 2.585 1.00 0.00 C ATOM 1838 CD2 LEU A 117 -3.822 -14.937 4.975 1.00 0.00 C ATOM 0 H LEU A 117 -7.527 -17.866 4.703 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.509 -15.139 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.167 -17.314 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.703 -17.093 3.034 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.450 -16.270 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.633 -13.994 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.748 -15.135 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.362 -13.981 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.970 -14.290 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.646 -14.338 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.537 -15.685 5.715 1.00 0.00 H new ATOM 1850 N ASP A 118 -8.123 -14.143 3.547 1.00 0.00 N ATOM 1851 CA ASP A 118 -8.985 -13.505 2.577 1.00 0.00 C ATOM 1852 C ASP A 118 -8.334 -12.248 2.063 1.00 0.00 C ATOM 1853 O ASP A 118 -7.609 -12.320 1.053 1.00 0.00 O ATOM 1854 CB ASP A 118 -10.372 -13.174 3.169 1.00 0.00 C ATOM 1855 CG ASP A 118 -11.139 -14.384 3.665 1.00 0.00 C ATOM 1856 OD1 ASP A 118 -11.640 -15.181 2.836 1.00 0.00 O ATOM 1857 OD2 ASP A 118 -11.308 -14.539 4.903 1.00 0.00 O ATOM 1858 OXT ASP A 118 -8.524 -11.165 2.661 1.00 0.00 O ATOM 0 H ASP A 118 -7.954 -13.590 4.387 1.00 0.00 H new ATOM 0 HA ASP A 118 -9.135 -14.205 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.245 -12.474 3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.967 -12.666 2.410 1.00 0.00 H new TER 1863 ASP A 118