USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 723 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 36 GLN : amide:sc= -13.2! C(o=-21!,f=-25!) USER MOD Set 1.2: A 48 ASN : amide:sc= -8.18! C(o=-21!,f=-28!) USER MOD Set 2.1: A 37 CYS SG : rot -127:sc= -9.04! USER MOD Set 2.2: A 47 CYS SG : rot -82:sc= -8.32! USER MOD Set 3.1: A 27 GLN : amide:sc= -6.95! C(o=-15!,f=-14!) USER MOD Set 3.2: A 32 TYR OH : rot -30:sc= 0.401 USER MOD Set 3.3: A 103 ASN : amide:sc= -8.88! C(o=-15!,f=-14!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -3.1! USER MOD Single : A 8 THR OG1 : rot -139:sc= -5.89! USER MOD Single : A 10 SER OG : rot 48:sc= -0.546 USER MOD Single : A 11 SER OG : rot 28:sc= 1.14 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc=-0.00253 (180deg=-0.148) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.247 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.109 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.6!) USER MOD Single : A 62 SER OG : rot 21:sc= 0.154 USER MOD Single : A 64 SER OG : rot 180:sc= -0.229 USER MOD Single : A 65 THR OG1 : rot 55:sc= -0.448 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 140:sc= -1.1 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc=-0.00501 X(o=-0.005,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -4.62! C(o=-4.6!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.184 12.813 -5.326 1.00 0.00 N ATOM 12 CA ALA A 2 3.786 11.699 -4.622 1.00 0.00 C ATOM 13 C ALA A 2 5.072 12.153 -3.944 1.00 0.00 C ATOM 14 O ALA A 2 6.028 12.533 -4.615 1.00 0.00 O ATOM 15 CB ALA A 2 4.064 10.567 -5.606 1.00 0.00 C ATOM 0 HA ALA A 2 3.102 11.336 -3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.517 9.728 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.129 10.245 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.745 10.918 -6.381 1.00 0.00 H new ATOM 21 N PRO A 3 5.092 12.111 -2.610 1.00 0.00 N ATOM 22 CA PRO A 3 6.225 12.501 -1.799 1.00 0.00 C ATOM 23 C PRO A 3 7.323 11.455 -1.918 1.00 0.00 C ATOM 24 O PRO A 3 7.178 10.481 -2.654 1.00 0.00 O ATOM 25 CB PRO A 3 5.682 12.565 -0.373 1.00 0.00 C ATOM 26 CG PRO A 3 4.570 11.517 -0.387 1.00 0.00 C ATOM 27 CD PRO A 3 3.985 11.669 -1.790 1.00 0.00 C ATOM 0 HA PRO A 3 6.658 13.453 -2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.450 12.330 0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.300 13.557 -0.130 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.958 10.513 -0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.825 11.707 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.577 10.725 -2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.171 12.393 -1.802 1.00 0.00 H new ATOM 35 N THR A 4 8.426 11.657 -1.193 1.00 0.00 N ATOM 36 CA THR A 4 9.539 10.730 -1.226 1.00 0.00 C ATOM 37 C THR A 4 9.523 9.857 0.021 1.00 0.00 C ATOM 38 O THR A 4 9.686 10.355 1.133 1.00 0.00 O ATOM 39 CB THR A 4 10.847 11.510 -1.323 1.00 0.00 C ATOM 40 OG1 THR A 4 11.934 10.614 -1.271 1.00 0.00 O ATOM 41 CG2 THR A 4 10.941 12.492 -0.159 1.00 0.00 C ATOM 0 H THR A 4 8.564 12.459 -0.578 1.00 0.00 H new ATOM 0 HA THR A 4 9.451 10.083 -2.099 1.00 0.00 H new ATOM 0 HB THR A 4 10.874 12.059 -2.264 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.774 11.115 -1.335 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.875 13.049 -0.228 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.101 13.185 -0.199 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.914 11.944 0.783 1.00 0.00 H new ATOM 49 N ALA A 5 9.328 8.550 -0.167 1.00 0.00 N ATOM 50 CA ALA A 5 9.291 7.616 0.940 1.00 0.00 C ATOM 51 C ALA A 5 10.210 6.438 0.650 1.00 0.00 C ATOM 52 O ALA A 5 10.365 6.037 -0.501 1.00 0.00 O ATOM 53 CB ALA A 5 7.857 7.142 1.157 1.00 0.00 C ATOM 0 H ALA A 5 9.194 8.122 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 5 9.638 8.108 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.828 6.439 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.221 7.998 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.496 6.650 0.254 1.00 0.00 H new ATOM 59 N THR A 6 10.822 5.882 1.699 1.00 0.00 N ATOM 60 CA THR A 6 11.720 4.755 1.547 1.00 0.00 C ATOM 61 C THR A 6 11.024 3.475 1.987 1.00 0.00 C ATOM 62 O THR A 6 10.678 3.324 3.157 1.00 0.00 O ATOM 63 CB THR A 6 12.981 4.996 2.372 1.00 0.00 C ATOM 64 OG1 THR A 6 12.655 5.750 3.518 1.00 0.00 O ATOM 65 CG2 THR A 6 14.000 5.762 1.532 1.00 0.00 C ATOM 0 H THR A 6 10.706 6.201 2.661 1.00 0.00 H new ATOM 0 HA THR A 6 12.001 4.649 0.499 1.00 0.00 H new ATOM 0 HB THR A 6 13.406 4.039 2.675 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.464 5.904 4.049 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.901 5.934 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.252 5.180 0.645 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.576 6.719 1.229 1.00 0.00 H new ATOM 73 N VAL A 7 10.820 2.552 1.045 1.00 0.00 N ATOM 74 CA VAL A 7 10.168 1.291 1.338 1.00 0.00 C ATOM 75 C VAL A 7 11.170 0.152 1.209 1.00 0.00 C ATOM 76 O VAL A 7 12.090 0.221 0.398 1.00 0.00 O ATOM 77 CB VAL A 7 8.996 1.091 0.382 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.224 -0.164 0.779 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.070 2.302 0.454 1.00 0.00 C ATOM 0 H VAL A 7 11.101 2.663 0.071 1.00 0.00 H new ATOM 0 HA VAL A 7 9.788 1.301 2.360 1.00 0.00 H new ATOM 0 HB VAL A 7 9.371 0.980 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.387 -0.307 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.885 -1.029 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.848 -0.053 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.232 2.160 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.695 2.413 1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.621 3.199 0.171 1.00 0.00 H new ATOM 89 N THR A 8 10.989 -0.899 2.012 1.00 0.00 N ATOM 90 CA THR A 8 11.877 -2.043 1.980 1.00 0.00 C ATOM 91 C THR A 8 11.726 -2.780 0.657 1.00 0.00 C ATOM 92 O THR A 8 10.886 -2.419 -0.166 1.00 0.00 O ATOM 93 CB THR A 8 11.558 -2.967 3.152 1.00 0.00 C ATOM 94 OG1 THR A 8 12.757 -3.479 3.687 1.00 0.00 O ATOM 95 CG2 THR A 8 10.683 -4.120 2.668 1.00 0.00 C ATOM 0 H THR A 8 10.231 -0.973 2.691 1.00 0.00 H new ATOM 0 HA THR A 8 12.910 -1.707 2.069 1.00 0.00 H new ATOM 0 HB THR A 8 11.027 -2.407 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.639 -4.427 3.907 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.455 -4.780 3.505 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.755 -3.724 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.213 -4.680 1.898 1.00 0.00 H new ATOM 103 N PRO A 9 12.543 -3.816 0.453 1.00 0.00 N ATOM 104 CA PRO A 9 12.542 -4.633 -0.741 1.00 0.00 C ATOM 105 C PRO A 9 11.303 -5.516 -0.755 1.00 0.00 C ATOM 106 O PRO A 9 11.129 -6.358 0.124 1.00 0.00 O ATOM 107 CB PRO A 9 13.813 -5.474 -0.641 1.00 0.00 C ATOM 108 CG PRO A 9 14.002 -5.622 0.868 1.00 0.00 C ATOM 109 CD PRO A 9 13.541 -4.267 1.398 1.00 0.00 C ATOM 0 HA PRO A 9 12.523 -4.044 -1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.698 -6.441 -1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.664 -4.979 -1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.405 -6.439 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.041 -5.827 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.123 -4.357 2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.372 -3.564 1.460 1.00 0.00 H new ATOM 117 N SER A 10 10.440 -5.322 -1.755 1.00 0.00 N ATOM 118 CA SER A 10 9.224 -6.101 -1.876 1.00 0.00 C ATOM 119 C SER A 10 9.327 -7.038 -3.070 1.00 0.00 C ATOM 120 O SER A 10 8.418 -7.098 -3.896 1.00 0.00 O ATOM 121 CB SER A 10 8.032 -5.160 -2.027 1.00 0.00 C ATOM 122 OG SER A 10 8.125 -4.479 -3.258 1.00 0.00 O ATOM 0 H SER A 10 10.569 -4.628 -2.491 1.00 0.00 H new ATOM 0 HA SER A 10 9.083 -6.704 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.101 -5.725 -1.981 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.012 -4.445 -1.204 1.00 0.00 H new ATOM 0 HG SER A 10 8.315 -5.121 -3.973 1.00 0.00 H new ATOM 128 N SER A 11 10.438 -7.773 -3.160 1.00 0.00 N ATOM 129 CA SER A 11 10.652 -8.703 -4.250 1.00 0.00 C ATOM 130 C SER A 11 11.003 -10.077 -3.696 1.00 0.00 C ATOM 131 O SER A 11 12.112 -10.288 -3.212 1.00 0.00 O ATOM 132 CB SER A 11 11.768 -8.182 -5.151 1.00 0.00 C ATOM 133 OG SER A 11 12.989 -8.203 -4.446 1.00 0.00 O ATOM 0 H SER A 11 11.201 -7.735 -2.484 1.00 0.00 H new ATOM 0 HA SER A 11 9.740 -8.794 -4.839 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.843 -8.797 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.542 -7.167 -5.478 1.00 0.00 H new ATOM 0 HG SER A 11 12.961 -8.906 -3.763 1.00 0.00 H new ATOM 139 N GLY A 12 10.053 -11.013 -3.768 1.00 0.00 N ATOM 140 CA GLY A 12 10.272 -12.358 -3.274 1.00 0.00 C ATOM 141 C GLY A 12 9.833 -12.463 -1.820 1.00 0.00 C ATOM 142 O GLY A 12 10.352 -13.287 -1.071 1.00 0.00 O ATOM 0 H GLY A 12 9.127 -10.855 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.715 -13.071 -3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.327 -12.618 -3.363 1.00 0.00 H new ATOM 146 N LEU A 13 8.874 -11.623 -1.423 1.00 0.00 N ATOM 147 CA LEU A 13 8.371 -11.625 -0.063 1.00 0.00 C ATOM 148 C LEU A 13 7.016 -12.316 -0.015 1.00 0.00 C ATOM 149 O LEU A 13 6.135 -12.016 -0.817 1.00 0.00 O ATOM 150 CB LEU A 13 8.263 -10.188 0.440 1.00 0.00 C ATOM 151 CG LEU A 13 9.435 -9.372 -0.097 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.768 -8.252 0.885 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.651 -10.278 -0.267 1.00 0.00 C ATOM 0 H LEU A 13 8.434 -10.934 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 13 9.058 -12.172 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.320 -9.748 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.264 -10.172 1.530 1.00 0.00 H new ATOM 0 HG LEU A 13 9.166 -8.941 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.605 -7.669 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.900 -7.604 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.037 -8.682 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.488 -9.695 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.921 -10.710 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.414 -11.078 -0.969 1.00 0.00 H new ATOM 165 N SER A 14 6.851 -13.244 0.930 1.00 0.00 N ATOM 166 CA SER A 14 5.606 -13.971 1.078 1.00 0.00 C ATOM 167 C SER A 14 5.013 -13.703 2.454 1.00 0.00 C ATOM 168 O SER A 14 5.583 -12.953 3.244 1.00 0.00 O ATOM 169 CB SER A 14 5.862 -15.462 0.880 1.00 0.00 C ATOM 170 OG SER A 14 6.847 -15.642 -0.113 1.00 0.00 O ATOM 0 H SER A 14 7.572 -13.504 1.603 1.00 0.00 H new ATOM 0 HA SER A 14 4.892 -13.636 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.188 -15.913 1.817 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.940 -15.965 0.588 1.00 0.00 H new ATOM 0 HG SER A 14 7.013 -16.600 -0.239 1.00 0.00 H new ATOM 176 N ASP A 15 3.864 -14.321 2.740 1.00 0.00 N ATOM 177 CA ASP A 15 3.200 -14.147 4.017 1.00 0.00 C ATOM 178 C ASP A 15 4.214 -14.274 5.145 1.00 0.00 C ATOM 179 O ASP A 15 5.087 -15.137 5.103 1.00 0.00 O ATOM 180 CB ASP A 15 2.096 -15.190 4.161 1.00 0.00 C ATOM 181 CG ASP A 15 2.606 -16.576 3.793 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.253 -17.194 4.667 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.340 -16.993 2.645 1.00 0.00 O ATOM 0 H ASP A 15 3.380 -14.947 2.096 1.00 0.00 H new ATOM 0 HA ASP A 15 2.752 -13.155 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.726 -15.195 5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.255 -14.926 3.520 1.00 0.00 H new ATOM 188 N GLY A 16 4.096 -13.410 6.157 1.00 0.00 N ATOM 189 CA GLY A 16 5.004 -13.435 7.287 1.00 0.00 C ATOM 190 C GLY A 16 6.013 -12.300 7.177 1.00 0.00 C ATOM 191 O GLY A 16 6.581 -11.872 8.180 1.00 0.00 O ATOM 0 H GLY A 16 3.378 -12.688 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.442 -13.343 8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.525 -14.392 7.323 1.00 0.00 H new ATOM 195 N THR A 17 6.236 -11.813 5.955 1.00 0.00 N ATOM 196 CA THR A 17 7.174 -10.733 5.725 1.00 0.00 C ATOM 197 C THR A 17 6.473 -9.393 5.891 1.00 0.00 C ATOM 198 O THR A 17 5.272 -9.283 5.653 1.00 0.00 O ATOM 199 CB THR A 17 7.765 -10.864 4.324 1.00 0.00 C ATOM 200 OG1 THR A 17 8.477 -12.077 4.226 1.00 0.00 O ATOM 201 CG2 THR A 17 8.712 -9.696 4.060 1.00 0.00 C ATOM 0 H THR A 17 5.774 -12.156 5.113 1.00 0.00 H new ATOM 0 HA THR A 17 7.982 -10.789 6.454 1.00 0.00 H new ATOM 0 HB THR A 17 6.961 -10.854 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.855 -12.162 3.326 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.134 -9.789 3.060 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.163 -8.758 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.516 -9.706 4.796 1.00 0.00 H new ATOM 209 N VAL A 18 7.227 -8.371 6.302 1.00 0.00 N ATOM 210 CA VAL A 18 6.677 -7.045 6.499 1.00 0.00 C ATOM 211 C VAL A 18 7.564 -6.014 5.815 1.00 0.00 C ATOM 212 O VAL A 18 8.748 -5.908 6.126 1.00 0.00 O ATOM 213 CB VAL A 18 6.565 -6.757 7.993 1.00 0.00 C ATOM 214 CG1 VAL A 18 7.961 -6.701 8.606 1.00 0.00 C ATOM 215 CG2 VAL A 18 5.864 -5.418 8.202 1.00 0.00 C ATOM 0 H VAL A 18 8.224 -8.446 6.503 1.00 0.00 H new ATOM 0 HA VAL A 18 5.682 -6.990 6.058 1.00 0.00 H new ATOM 0 HB VAL A 18 5.988 -7.548 8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.882 -6.495 9.673 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.462 -7.657 8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.538 -5.910 8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.784 -5.212 9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.440 -4.627 7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.867 -5.457 7.764 1.00 0.00 H new ATOM 225 N VAL A 19 6.987 -5.252 4.883 1.00 0.00 N ATOM 226 CA VAL A 19 7.726 -4.235 4.162 1.00 0.00 C ATOM 227 C VAL A 19 7.836 -2.978 5.013 1.00 0.00 C ATOM 228 O VAL A 19 7.146 -2.847 6.021 1.00 0.00 O ATOM 229 CB VAL A 19 7.020 -3.934 2.843 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.096 -5.158 1.934 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.558 -3.592 3.114 1.00 0.00 C ATOM 0 H VAL A 19 6.006 -5.327 4.615 1.00 0.00 H new ATOM 0 HA VAL A 19 8.732 -4.594 3.947 1.00 0.00 H new ATOM 0 HB VAL A 19 7.506 -3.089 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.592 -4.943 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.140 -5.402 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.610 -6.004 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.054 -3.377 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.071 -4.437 3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.503 -2.718 3.763 1.00 0.00 H new ATOM 241 N LYS A 20 8.708 -2.053 4.605 1.00 0.00 N ATOM 242 CA LYS A 20 8.902 -0.814 5.332 1.00 0.00 C ATOM 243 C LYS A 20 8.489 0.366 4.464 1.00 0.00 C ATOM 244 O LYS A 20 8.668 0.338 3.249 1.00 0.00 O ATOM 245 CB LYS A 20 10.365 -0.693 5.748 1.00 0.00 C ATOM 246 CG LYS A 20 10.445 -0.205 7.192 1.00 0.00 C ATOM 247 CD LYS A 20 10.572 1.315 7.209 1.00 0.00 C ATOM 248 CE LYS A 20 11.733 1.719 8.113 1.00 0.00 C ATOM 249 NZ LYS A 20 11.480 3.022 8.747 1.00 0.00 N ATOM 0 H LYS A 20 9.289 -2.147 3.772 1.00 0.00 H new ATOM 0 HA LYS A 20 8.281 -0.814 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.863 -1.658 5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.885 0.002 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.555 -0.512 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.301 -0.658 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.737 1.688 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.645 1.764 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.882 0.960 8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.653 1.767 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.109 3.137 9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.663 3.783 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.490 3.069 9.061 1.00 0.00 H new ATOM 263 N VAL A 21 7.934 1.405 5.093 1.00 0.00 N ATOM 264 CA VAL A 21 7.499 2.588 4.378 1.00 0.00 C ATOM 265 C VAL A 21 7.848 3.832 5.182 1.00 0.00 C ATOM 266 O VAL A 21 7.288 4.060 6.252 1.00 0.00 O ATOM 267 CB VAL A 21 5.995 2.507 4.131 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.736 2.238 2.652 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.403 1.375 4.966 1.00 0.00 C ATOM 0 H VAL A 21 7.779 1.442 6.100 1.00 0.00 H new ATOM 0 HA VAL A 21 8.009 2.646 3.416 1.00 0.00 H new ATOM 0 HB VAL A 21 5.529 3.450 4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.662 2.180 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.159 3.047 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.202 1.295 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.329 1.317 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.869 0.431 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.588 1.567 6.023 1.00 0.00 H new ATOM 279 N ALA A 22 8.775 4.640 4.662 1.00 0.00 N ATOM 280 CA ALA A 22 9.194 5.854 5.332 1.00 0.00 C ATOM 281 C ALA A 22 9.008 7.046 4.403 1.00 0.00 C ATOM 282 O ALA A 22 9.667 7.139 3.371 1.00 0.00 O ATOM 283 CB ALA A 22 10.654 5.723 5.757 1.00 0.00 C ATOM 0 H ALA A 22 9.246 4.466 3.774 1.00 0.00 H new ATOM 0 HA ALA A 22 8.584 6.012 6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.970 6.636 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.761 4.878 6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.276 5.561 4.877 1.00 0.00 H new ATOM 289 N GLY A 23 8.105 7.958 4.772 1.00 0.00 N ATOM 290 CA GLY A 23 7.841 9.135 3.968 1.00 0.00 C ATOM 291 C GLY A 23 8.883 10.209 4.247 1.00 0.00 C ATOM 292 O GLY A 23 9.386 10.315 5.363 1.00 0.00 O ATOM 0 H GLY A 23 7.548 7.896 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.854 8.872 2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.845 9.519 4.189 1.00 0.00 H new ATOM 296 N ALA A 24 9.205 11.008 3.227 1.00 0.00 N ATOM 297 CA ALA A 24 10.184 12.067 3.366 1.00 0.00 C ATOM 298 C ALA A 24 9.856 13.201 2.404 1.00 0.00 C ATOM 299 O ALA A 24 9.901 13.019 1.190 1.00 0.00 O ATOM 300 CB ALA A 24 11.577 11.510 3.090 1.00 0.00 C ATOM 0 H ALA A 24 8.795 10.934 2.296 1.00 0.00 H new ATOM 0 HA ALA A 24 10.159 12.460 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.314 12.306 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.798 10.715 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.615 11.111 2.076 1.00 0.00 H new ATOM 306 N GLY A 25 9.525 14.374 2.950 1.00 0.00 N ATOM 307 CA GLY A 25 9.193 15.525 2.135 1.00 0.00 C ATOM 308 C GLY A 25 7.688 15.597 1.912 1.00 0.00 C ATOM 309 O GLY A 25 7.222 16.317 1.032 1.00 0.00 O ATOM 0 H GLY A 25 9.482 14.543 3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.540 16.436 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.707 15.461 1.176 1.00 0.00 H new ATOM 313 N LEU A 26 6.929 14.847 2.714 1.00 0.00 N ATOM 314 CA LEU A 26 5.484 14.828 2.602 1.00 0.00 C ATOM 315 C LEU A 26 4.883 15.915 3.481 1.00 0.00 C ATOM 316 O LEU A 26 5.609 16.650 4.147 1.00 0.00 O ATOM 317 CB LEU A 26 4.961 13.453 3.008 1.00 0.00 C ATOM 318 CG LEU A 26 6.134 12.495 3.188 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.687 12.627 4.604 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.662 11.063 2.957 1.00 0.00 C ATOM 0 H LEU A 26 7.301 14.245 3.449 1.00 0.00 H new ATOM 0 HA LEU A 26 5.193 15.023 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.393 13.528 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.280 13.072 2.247 1.00 0.00 H new ATOM 0 HG LEU A 26 6.916 12.740 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.525 11.942 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.026 13.650 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.906 12.383 5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.500 10.378 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.880 10.818 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.268 10.968 1.945 1.00 0.00 H new ATOM 332 N GLN A 27 3.552 16.015 3.483 1.00 0.00 N ATOM 333 CA GLN A 27 2.862 17.011 4.279 1.00 0.00 C ATOM 334 C GLN A 27 3.206 16.825 5.751 1.00 0.00 C ATOM 335 O GLN A 27 2.958 15.764 6.319 1.00 0.00 O ATOM 336 CB GLN A 27 1.358 16.885 4.056 1.00 0.00 C ATOM 337 CG GLN A 27 1.011 17.356 2.646 1.00 0.00 C ATOM 338 CD GLN A 27 -0.441 17.045 2.312 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.286 17.937 2.318 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.728 15.774 2.020 1.00 0.00 N ATOM 0 H GLN A 27 2.936 15.412 2.938 1.00 0.00 H new ATOM 0 HA GLN A 27 3.180 18.009 3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.045 15.850 4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.819 17.481 4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.186 18.429 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.667 16.870 1.924 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.010 15.070 2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.685 15.508 1.788 1.00 0.00 H new ATOM 349 N ALA A 28 3.779 17.862 6.367 1.00 0.00 N ATOM 350 CA ALA A 28 4.153 17.808 7.765 1.00 0.00 C ATOM 351 C ALA A 28 2.908 17.895 8.636 1.00 0.00 C ATOM 352 O ALA A 28 2.059 18.757 8.424 1.00 0.00 O ATOM 353 CB ALA A 28 5.113 18.952 8.078 1.00 0.00 C ATOM 0 H ALA A 28 3.991 18.749 5.909 1.00 0.00 H new ATOM 0 HA ALA A 28 4.654 16.863 7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.395 18.913 9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.005 18.858 7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.625 19.904 7.869 1.00 0.00 H new ATOM 359 N GLY A 29 2.800 16.998 9.620 1.00 0.00 N ATOM 360 CA GLY A 29 1.659 16.982 10.513 1.00 0.00 C ATOM 361 C GLY A 29 0.435 16.432 9.795 1.00 0.00 C ATOM 362 O GLY A 29 -0.670 16.466 10.332 1.00 0.00 O ATOM 0 H GLY A 29 3.495 16.276 9.811 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.881 16.371 11.388 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.456 17.991 10.873 1.00 0.00 H new ATOM 366 N THR A 30 0.633 15.925 8.576 1.00 0.00 N ATOM 367 CA THR A 30 -0.455 15.372 7.795 1.00 0.00 C ATOM 368 C THR A 30 -0.557 13.873 8.037 1.00 0.00 C ATOM 369 O THR A 30 0.457 13.184 8.120 1.00 0.00 O ATOM 370 CB THR A 30 -0.220 15.666 6.317 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.128 16.653 5.884 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.429 14.391 5.504 1.00 0.00 C ATOM 0 H THR A 30 1.542 15.890 8.115 1.00 0.00 H new ATOM 0 HA THR A 30 -1.395 15.833 8.099 1.00 0.00 H new ATOM 0 HB THR A 30 0.800 16.023 6.176 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.205 16.621 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.261 14.601 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.273 13.627 5.838 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.449 14.033 5.645 1.00 0.00 H new ATOM 380 N ALA A 31 -1.789 13.368 8.149 1.00 0.00 N ATOM 381 CA ALA A 31 -2.018 11.957 8.380 1.00 0.00 C ATOM 382 C ALA A 31 -2.014 11.209 7.054 1.00 0.00 C ATOM 383 O ALA A 31 -2.371 11.772 6.022 1.00 0.00 O ATOM 384 CB ALA A 31 -3.350 11.770 9.102 1.00 0.00 C ATOM 0 H ALA A 31 -2.640 13.926 8.082 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.221 11.553 9.004 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.523 10.708 9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.323 12.295 10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.156 12.173 8.489 1.00 0.00 H new ATOM 390 N TYR A 32 -1.608 9.938 7.085 1.00 0.00 N ATOM 391 CA TYR A 32 -1.558 9.124 5.887 1.00 0.00 C ATOM 392 C TYR A 32 -2.139 7.747 6.173 1.00 0.00 C ATOM 393 O TYR A 32 -1.958 7.209 7.264 1.00 0.00 O ATOM 394 CB TYR A 32 -0.113 9.013 5.409 1.00 0.00 C ATOM 395 CG TYR A 32 0.398 10.265 4.737 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.300 10.813 3.654 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.569 10.878 5.198 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.174 11.974 3.032 1.00 0.00 C ATOM 399 CE2 TYR A 32 2.043 12.040 4.575 1.00 0.00 C ATOM 400 CZ TYR A 32 1.345 12.588 3.492 1.00 0.00 C ATOM 401 OH TYR A 32 1.806 13.719 2.886 1.00 0.00 O ATOM 0 H TYR A 32 -1.310 9.457 7.933 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.152 9.590 5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.526 8.781 6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.032 8.178 4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.204 10.340 3.299 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.107 10.455 6.034 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.364 12.396 2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.947 12.513 4.930 1.00 0.00 H new ATOM 0 HH TYR A 32 1.550 13.711 1.940 1.00 0.00 H new ATOM 411 N ASP A 33 -2.839 7.176 5.190 1.00 0.00 N ATOM 412 CA ASP A 33 -3.442 5.867 5.342 1.00 0.00 C ATOM 413 C ASP A 33 -2.646 4.838 4.553 1.00 0.00 C ATOM 414 O ASP A 33 -2.594 4.899 3.327 1.00 0.00 O ATOM 415 CB ASP A 33 -4.889 5.916 4.861 1.00 0.00 C ATOM 416 CG ASP A 33 -5.345 4.551 4.366 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.043 4.243 3.193 1.00 0.00 O ATOM 418 OD2 ASP A 33 -5.986 3.840 5.170 1.00 0.00 O ATOM 0 H ASP A 33 -2.998 7.609 4.280 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.432 5.577 6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.535 6.247 5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.985 6.648 4.059 1.00 0.00 H new ATOM 423 N VAL A 34 -2.024 3.892 5.260 1.00 0.00 N ATOM 424 CA VAL A 34 -1.234 2.857 4.623 1.00 0.00 C ATOM 425 C VAL A 34 -2.045 1.572 4.535 1.00 0.00 C ATOM 426 O VAL A 34 -2.758 1.220 5.473 1.00 0.00 O ATOM 427 CB VAL A 34 0.048 2.634 5.420 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.170 2.217 4.473 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.436 3.927 6.130 1.00 0.00 C ATOM 0 H VAL A 34 -2.058 3.829 6.277 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.968 3.166 3.612 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.115 1.849 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.086 2.058 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.893 1.293 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.333 3.002 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.352 3.769 6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.599 4.713 5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.365 4.225 6.806 1.00 0.00 H new ATOM 439 N GLY A 35 -1.936 0.870 3.405 1.00 0.00 N ATOM 440 CA GLY A 35 -2.660 -0.370 3.206 1.00 0.00 C ATOM 441 C GLY A 35 -2.094 -1.126 2.012 1.00 0.00 C ATOM 442 O GLY A 35 -1.358 -0.559 1.207 1.00 0.00 O ATOM 0 H GLY A 35 -1.350 1.147 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.591 -0.987 4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.717 -0.160 3.044 1.00 0.00 H new ATOM 446 N GLN A 36 -2.439 -2.411 1.900 1.00 0.00 N ATOM 447 CA GLN A 36 -1.963 -3.236 0.808 1.00 0.00 C ATOM 448 C GLN A 36 -3.113 -3.555 -0.138 1.00 0.00 C ATOM 449 O GLN A 36 -3.970 -4.378 0.179 1.00 0.00 O ATOM 450 CB GLN A 36 -1.354 -4.518 1.369 1.00 0.00 C ATOM 451 CG GLN A 36 -1.352 -5.596 0.290 1.00 0.00 C ATOM 452 CD GLN A 36 -0.834 -6.916 0.843 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.500 -7.556 1.653 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.359 -7.323 0.403 1.00 0.00 N ATOM 0 H GLN A 36 -3.048 -2.896 2.559 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.197 -2.699 0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.337 -4.330 1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.925 -4.856 2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.362 -5.731 -0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.730 -5.278 -0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.875 -6.756 -0.270 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.755 -8.201 0.740 1.00 0.00 H new ATOM 463 N CYS A 37 -3.130 -2.902 -1.302 1.00 0.00 N ATOM 464 CA CYS A 37 -4.171 -3.118 -2.286 1.00 0.00 C ATOM 465 C CYS A 37 -3.618 -3.926 -3.451 1.00 0.00 C ATOM 466 O CYS A 37 -2.470 -3.741 -3.847 1.00 0.00 O ATOM 467 CB CYS A 37 -4.704 -1.771 -2.766 1.00 0.00 C ATOM 468 SG CYS A 37 -5.319 -0.707 -1.437 1.00 0.00 S ATOM 0 H CYS A 37 -2.427 -2.217 -1.579 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.991 -3.679 -1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.911 -1.247 -3.299 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.508 -1.944 -3.481 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.526 -0.314 -1.719 1.00 0.00 H new ATOM 473 N ALA A 38 -4.440 -4.824 -3.999 1.00 0.00 N ATOM 474 CA ALA A 38 -4.029 -5.655 -5.113 1.00 0.00 C ATOM 475 C ALA A 38 -4.979 -5.452 -6.285 1.00 0.00 C ATOM 476 O ALA A 38 -6.195 -5.523 -6.120 1.00 0.00 O ATOM 477 CB ALA A 38 -4.013 -7.117 -4.677 1.00 0.00 C ATOM 0 H ALA A 38 -5.396 -4.988 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.025 -5.374 -5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.704 -7.743 -5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.312 -7.243 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.011 -7.411 -4.353 1.00 0.00 H new ATOM 483 N TRP A 39 -4.422 -5.200 -7.472 1.00 0.00 N ATOM 484 CA TRP A 39 -5.224 -4.990 -8.660 1.00 0.00 C ATOM 485 C TRP A 39 -5.961 -6.272 -9.020 1.00 0.00 C ATOM 486 O TRP A 39 -5.338 -7.306 -9.252 1.00 0.00 O ATOM 487 CB TRP A 39 -4.324 -4.543 -9.808 1.00 0.00 C ATOM 488 CG TRP A 39 -4.729 -5.043 -11.158 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.000 -5.272 -11.556 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.886 -5.383 -12.300 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.001 -5.727 -12.857 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.721 -5.815 -13.366 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.501 -5.372 -12.545 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.212 -6.214 -14.605 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.980 -5.769 -13.785 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.830 -6.190 -14.814 1.00 0.00 C ATOM 0 H TRP A 39 -3.416 -5.138 -7.627 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.963 -4.212 -8.471 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.304 -3.453 -9.831 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.307 -4.876 -9.604 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.880 -5.122 -10.948 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.843 -5.969 -13.379 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.827 -5.052 -11.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.878 -6.537 -15.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.912 -5.750 -13.947 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.420 -6.495 -15.765 1.00 0.00 H new ATOM 507 N VAL A 40 -7.294 -6.203 -9.068 1.00 0.00 N ATOM 508 CA VAL A 40 -8.109 -7.354 -9.399 1.00 0.00 C ATOM 509 C VAL A 40 -8.573 -7.257 -10.845 1.00 0.00 C ATOM 510 O VAL A 40 -8.548 -8.247 -11.574 1.00 0.00 O ATOM 511 CB VAL A 40 -9.303 -7.421 -8.451 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.837 -7.897 -7.078 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.928 -6.035 -8.323 1.00 0.00 C ATOM 0 H VAL A 40 -7.825 -5.353 -8.879 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.522 -8.265 -9.286 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.042 -8.119 -8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.690 -7.945 -6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.390 -8.887 -7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.098 -7.200 -6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.781 -6.082 -7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.189 -5.338 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.261 -5.694 -9.303 1.00 0.00 H new ATOM 523 N ASP A 41 -8.996 -6.061 -11.260 1.00 0.00 N ATOM 524 CA ASP A 41 -9.463 -5.843 -12.614 1.00 0.00 C ATOM 525 C ASP A 41 -8.924 -4.519 -13.137 1.00 0.00 C ATOM 526 O ASP A 41 -8.362 -3.732 -12.378 1.00 0.00 O ATOM 527 CB ASP A 41 -10.989 -5.851 -12.633 1.00 0.00 C ATOM 528 CG ASP A 41 -11.516 -7.018 -13.455 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.110 -8.159 -13.147 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.317 -6.747 -14.376 1.00 0.00 O ATOM 0 H ASP A 41 -9.021 -5.231 -10.668 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.101 -6.642 -13.261 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.369 -5.918 -11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.356 -4.913 -13.049 1.00 0.00 H new ATOM 535 N THR A 42 -9.095 -4.274 -14.439 1.00 0.00 N ATOM 536 CA THR A 42 -8.624 -3.048 -15.050 1.00 0.00 C ATOM 537 C THR A 42 -9.197 -1.847 -14.312 1.00 0.00 C ATOM 538 O THR A 42 -10.402 -1.605 -14.354 1.00 0.00 O ATOM 539 CB THR A 42 -9.034 -3.024 -16.520 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.305 -4.002 -17.227 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.740 -1.647 -17.108 1.00 0.00 C ATOM 0 H THR A 42 -9.558 -4.915 -15.083 1.00 0.00 H new ATOM 0 HA THR A 42 -7.537 -3.002 -14.987 1.00 0.00 H new ATOM 0 HB THR A 42 -10.100 -3.234 -16.603 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.569 -3.988 -18.171 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.033 -1.630 -18.158 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.303 -0.890 -16.562 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.674 -1.436 -17.025 1.00 0.00 H new ATOM 549 N GLY A 43 -8.330 -1.092 -13.633 1.00 0.00 N ATOM 550 CA GLY A 43 -8.757 0.077 -12.891 1.00 0.00 C ATOM 551 C GLY A 43 -9.549 -0.339 -11.660 1.00 0.00 C ATOM 552 O GLY A 43 -10.143 0.500 -10.986 1.00 0.00 O ATOM 0 H GLY A 43 -7.328 -1.277 -13.587 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.888 0.664 -12.592 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.369 0.716 -13.527 1.00 0.00 H new ATOM 556 N VAL A 44 -9.558 -1.642 -11.367 1.00 0.00 N ATOM 557 CA VAL A 44 -10.275 -2.164 -10.221 1.00 0.00 C ATOM 558 C VAL A 44 -9.319 -2.935 -9.323 1.00 0.00 C ATOM 559 O VAL A 44 -8.920 -4.051 -9.650 1.00 0.00 O ATOM 560 CB VAL A 44 -11.411 -3.063 -10.700 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.053 -3.755 -9.501 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.459 -2.218 -11.420 1.00 0.00 C ATOM 0 H VAL A 44 -9.072 -2.351 -11.916 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.699 -1.341 -9.645 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.016 -3.814 -11.384 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.865 -4.397 -9.843 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.305 -4.358 -8.986 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.448 -3.005 -8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.271 -2.860 -11.763 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.854 -1.467 -10.736 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.001 -1.723 -12.277 1.00 0.00 H new ATOM 572 N LEU A 45 -8.951 -2.338 -8.187 1.00 0.00 N ATOM 573 CA LEU A 45 -8.046 -2.970 -7.248 1.00 0.00 C ATOM 574 C LEU A 45 -8.723 -3.110 -5.892 1.00 0.00 C ATOM 575 O LEU A 45 -9.405 -2.193 -5.439 1.00 0.00 O ATOM 576 CB LEU A 45 -6.772 -2.138 -7.133 1.00 0.00 C ATOM 577 CG LEU A 45 -6.919 -1.137 -5.992 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.537 -0.701 -5.514 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.696 0.082 -6.482 1.00 0.00 C ATOM 0 H LEU A 45 -9.273 -1.413 -7.902 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.783 -3.966 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.916 -2.788 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.582 -1.613 -8.069 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.457 -1.604 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.643 0.014 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.982 -1.571 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.997 -0.234 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.802 0.798 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.158 0.548 -7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.684 -0.229 -6.822 1.00 0.00 H new ATOM 591 N ALA A 46 -8.531 -4.261 -5.244 1.00 0.00 N ATOM 592 CA ALA A 46 -9.123 -4.515 -3.946 1.00 0.00 C ATOM 593 C ALA A 46 -8.150 -4.109 -2.848 1.00 0.00 C ATOM 594 O ALA A 46 -6.946 -4.028 -3.081 1.00 0.00 O ATOM 595 CB ALA A 46 -9.480 -5.994 -3.831 1.00 0.00 C ATOM 0 H ALA A 46 -7.966 -5.030 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.033 -3.925 -3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.925 -6.186 -2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.192 -6.258 -4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.578 -6.596 -3.943 1.00 0.00 H new ATOM 601 N CYS A 47 -8.676 -3.852 -1.647 1.00 0.00 N ATOM 602 CA CYS A 47 -7.855 -3.456 -0.521 1.00 0.00 C ATOM 603 C CYS A 47 -7.980 -4.484 0.594 1.00 0.00 C ATOM 604 O CYS A 47 -9.031 -5.100 0.758 1.00 0.00 O ATOM 605 CB CYS A 47 -8.290 -2.076 -0.036 1.00 0.00 C ATOM 606 SG CYS A 47 -7.729 -0.715 -1.090 1.00 0.00 S ATOM 0 H CYS A 47 -9.673 -3.914 -1.438 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.810 -3.406 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.378 -2.050 0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.910 -1.921 0.974 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.501 -0.412 -0.791 1.00 0.00 H new ATOM 611 N ASN A 48 -6.903 -4.669 1.362 1.00 0.00 N ATOM 612 CA ASN A 48 -6.901 -5.620 2.455 1.00 0.00 C ATOM 613 C ASN A 48 -6.853 -4.881 3.785 1.00 0.00 C ATOM 614 O ASN A 48 -5.813 -4.346 4.164 1.00 0.00 O ATOM 615 CB ASN A 48 -5.702 -6.553 2.312 1.00 0.00 C ATOM 616 CG ASN A 48 -5.741 -7.653 3.363 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.767 -7.862 4.007 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.621 -8.358 3.535 1.00 0.00 N ATOM 0 H ASN A 48 -6.024 -4.167 1.239 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.815 -6.214 2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.698 -6.996 1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.778 -5.983 2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.592 -9.108 4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.794 -8.147 2.976 1.00 0.00 H new ATOM 625 N PRO A 49 -7.983 -4.854 4.495 1.00 0.00 N ATOM 626 CA PRO A 49 -8.125 -4.203 5.779 1.00 0.00 C ATOM 627 C PRO A 49 -7.393 -5.009 6.843 1.00 0.00 C ATOM 628 O PRO A 49 -7.368 -4.622 8.009 1.00 0.00 O ATOM 629 CB PRO A 49 -9.629 -4.184 6.045 1.00 0.00 C ATOM 630 CG PRO A 49 -10.117 -5.436 5.317 1.00 0.00 C ATOM 631 CD PRO A 49 -9.223 -5.473 4.079 1.00 0.00 C ATOM 0 HA PRO A 49 -7.703 -3.198 5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.852 -4.223 7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.098 -3.281 5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.000 -6.331 5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.172 -5.366 5.053 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.059 -6.496 3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.676 -4.931 3.249 1.00 0.00 H new ATOM 639 N ALA A 50 -6.799 -6.134 6.439 1.00 0.00 N ATOM 640 CA ALA A 50 -6.073 -6.988 7.357 1.00 0.00 C ATOM 641 C ALA A 50 -4.613 -6.564 7.411 1.00 0.00 C ATOM 642 O ALA A 50 -3.864 -7.020 8.272 1.00 0.00 O ATOM 643 CB ALA A 50 -6.199 -8.440 6.906 1.00 0.00 C ATOM 0 H ALA A 50 -6.812 -6.469 5.475 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.494 -6.894 8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.653 -9.084 7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.250 -8.728 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.784 -8.547 5.904 1.00 0.00 H new ATOM 649 N ASP A 51 -4.208 -5.690 6.487 1.00 0.00 N ATOM 650 CA ASP A 51 -2.841 -5.212 6.433 1.00 0.00 C ATOM 651 C ASP A 51 -2.831 -3.699 6.270 1.00 0.00 C ATOM 652 O ASP A 51 -1.887 -3.139 5.718 1.00 0.00 O ATOM 653 CB ASP A 51 -2.113 -5.886 5.274 1.00 0.00 C ATOM 654 CG ASP A 51 -2.343 -7.390 5.288 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.823 -7.881 6.333 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.033 -8.022 4.255 1.00 0.00 O ATOM 0 H ASP A 51 -4.817 -5.302 5.766 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.327 -5.461 7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.462 -5.470 4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.045 -5.677 5.339 1.00 0.00 H new ATOM 661 N PHE A 52 -3.885 -3.037 6.753 1.00 0.00 N ATOM 662 CA PHE A 52 -3.990 -1.595 6.657 1.00 0.00 C ATOM 663 C PHE A 52 -3.562 -0.957 7.972 1.00 0.00 C ATOM 664 O PHE A 52 -4.170 -1.205 9.011 1.00 0.00 O ATOM 665 CB PHE A 52 -5.426 -1.212 6.312 1.00 0.00 C ATOM 666 CG PHE A 52 -6.195 -0.643 7.480 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.777 0.550 8.081 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.330 -1.309 7.961 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.492 1.078 9.163 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.045 -0.781 9.043 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.626 0.412 9.644 1.00 0.00 C ATOM 0 H PHE A 52 -4.676 -3.486 7.215 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.331 -1.231 5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.414 -0.481 5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.948 -2.092 5.938 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.902 1.064 7.710 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.653 -2.229 7.497 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.169 1.999 9.626 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.920 -1.294 9.414 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.177 0.819 10.479 1.00 0.00 H new ATOM 681 N SER A 53 -2.511 -0.135 7.924 1.00 0.00 N ATOM 682 CA SER A 53 -2.010 0.533 9.109 1.00 0.00 C ATOM 683 C SER A 53 -2.260 2.031 9.002 1.00 0.00 C ATOM 684 O SER A 53 -2.876 2.493 8.045 1.00 0.00 O ATOM 685 CB SER A 53 -0.520 0.242 9.263 1.00 0.00 C ATOM 686 OG SER A 53 -0.042 0.854 10.440 1.00 0.00 O ATOM 0 H SER A 53 -1.995 0.079 7.071 1.00 0.00 H new ATOM 0 HA SER A 53 -2.533 0.161 9.990 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.351 -0.834 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.026 0.617 8.397 1.00 0.00 H new ATOM 0 HG SER A 53 0.915 0.666 10.541 1.00 0.00 H new ATOM 692 N SER A 54 -1.778 2.789 9.989 1.00 0.00 N ATOM 693 CA SER A 54 -1.949 4.228 10.000 1.00 0.00 C ATOM 694 C SER A 54 -0.719 4.890 10.604 1.00 0.00 C ATOM 695 O SER A 54 -0.022 4.286 11.417 1.00 0.00 O ATOM 696 CB SER A 54 -3.201 4.585 10.795 1.00 0.00 C ATOM 697 OG SER A 54 -2.873 4.697 12.162 1.00 0.00 O ATOM 0 H SER A 54 -1.265 2.421 10.790 1.00 0.00 H new ATOM 0 HA SER A 54 -2.067 4.591 8.979 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.620 5.524 10.432 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.965 3.820 10.655 1.00 0.00 H new ATOM 0 HG SER A 54 -3.676 4.928 12.673 1.00 0.00 H new ATOM 703 N VAL A 55 -0.454 6.137 10.206 1.00 0.00 N ATOM 704 CA VAL A 55 0.687 6.874 10.709 1.00 0.00 C ATOM 705 C VAL A 55 0.550 8.346 10.345 1.00 0.00 C ATOM 706 O VAL A 55 -0.141 8.689 9.389 1.00 0.00 O ATOM 707 CB VAL A 55 1.969 6.289 10.124 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.892 6.317 8.600 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.164 7.117 10.588 1.00 0.00 C ATOM 0 H VAL A 55 -1.023 6.651 9.533 1.00 0.00 H new ATOM 0 HA VAL A 55 0.729 6.790 11.795 1.00 0.00 H new ATOM 0 HB VAL A 55 2.086 5.260 10.463 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.808 5.899 8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.039 5.726 8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.775 7.346 8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.080 6.699 10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.047 8.146 10.249 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.220 7.097 11.676 1.00 0.00 H new ATOM 719 N THR A 56 1.212 9.217 11.110 1.00 0.00 N ATOM 720 CA THR A 56 1.159 10.643 10.861 1.00 0.00 C ATOM 721 C THR A 56 2.569 11.202 10.742 1.00 0.00 C ATOM 722 O THR A 56 3.466 10.793 11.476 1.00 0.00 O ATOM 723 CB THR A 56 0.400 11.329 11.993 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.902 10.793 12.078 1.00 0.00 O ATOM 725 CG2 THR A 56 0.316 12.827 11.715 1.00 0.00 C ATOM 0 H THR A 56 1.790 8.950 11.907 1.00 0.00 H new ATOM 0 HA THR A 56 0.636 10.831 9.923 1.00 0.00 H new ATOM 0 HB THR A 56 0.924 11.163 12.934 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.390 11.232 12.806 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.226 13.317 12.524 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.322 13.242 11.649 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.208 12.994 10.774 1.00 0.00 H new ATOM 733 N ALA A 57 2.764 12.140 9.812 1.00 0.00 N ATOM 734 CA ALA A 57 4.061 12.750 9.601 1.00 0.00 C ATOM 735 C ALA A 57 4.310 13.814 10.660 1.00 0.00 C ATOM 736 O ALA A 57 3.409 14.579 10.997 1.00 0.00 O ATOM 737 CB ALA A 57 4.116 13.355 8.201 1.00 0.00 C ATOM 0 H ALA A 57 2.031 12.489 9.195 1.00 0.00 H new ATOM 0 HA ALA A 57 4.841 11.993 9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.092 13.814 8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.958 12.572 7.460 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.338 14.112 8.101 1.00 0.00 H new ATOM 743 N ASP A 58 5.536 13.862 11.185 1.00 0.00 N ATOM 744 CA ASP A 58 5.895 14.830 12.202 1.00 0.00 C ATOM 745 C ASP A 58 6.031 16.210 11.574 1.00 0.00 C ATOM 746 O ASP A 58 5.742 16.387 10.393 1.00 0.00 O ATOM 747 CB ASP A 58 7.201 14.407 12.867 1.00 0.00 C ATOM 748 CG ASP A 58 8.304 14.226 11.834 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.244 14.938 10.809 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.187 13.378 12.089 1.00 0.00 O ATOM 0 H ASP A 58 6.294 13.235 10.916 1.00 0.00 H new ATOM 0 HA ASP A 58 5.114 14.873 12.961 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.501 15.158 13.598 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.051 13.475 13.412 1.00 0.00 H new ATOM 755 N ALA A 59 6.473 17.188 12.368 1.00 0.00 N ATOM 756 CA ALA A 59 6.644 18.544 11.887 1.00 0.00 C ATOM 757 C ALA A 59 7.708 18.576 10.799 1.00 0.00 C ATOM 758 O ALA A 59 7.706 19.466 9.952 1.00 0.00 O ATOM 759 CB ALA A 59 7.034 19.450 13.052 1.00 0.00 C ATOM 0 H ALA A 59 6.717 17.056 13.349 1.00 0.00 H new ATOM 0 HA ALA A 59 5.707 18.904 11.461 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.163 20.471 12.692 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.249 19.429 13.808 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.969 19.099 13.489 1.00 0.00 H new ATOM 765 N ASN A 60 8.619 17.600 10.824 1.00 0.00 N ATOM 766 CA ASN A 60 9.680 17.522 9.841 1.00 0.00 C ATOM 767 C ASN A 60 9.125 17.020 8.516 1.00 0.00 C ATOM 768 O ASN A 60 9.826 17.020 7.506 1.00 0.00 O ATOM 769 CB ASN A 60 10.779 16.595 10.353 1.00 0.00 C ATOM 770 CG ASN A 60 12.156 17.145 10.013 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.359 18.357 10.008 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.106 16.249 9.730 1.00 0.00 N ATOM 0 H ASN A 60 8.635 16.855 11.520 1.00 0.00 H new ATOM 0 HA ASN A 60 10.103 18.513 9.680 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.687 16.477 11.433 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.660 15.605 9.913 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.049 16.561 9.497 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.889 15.253 9.747 1.00 0.00 H new ATOM 779 N GLY A 61 7.861 16.591 8.520 1.00 0.00 N ATOM 780 CA GLY A 61 7.223 16.091 7.319 1.00 0.00 C ATOM 781 C GLY A 61 7.740 14.698 6.988 1.00 0.00 C ATOM 782 O GLY A 61 7.816 14.321 5.821 1.00 0.00 O ATOM 0 H GLY A 61 7.265 16.583 9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.142 16.062 7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.419 16.767 6.486 1.00 0.00 H new ATOM 786 N SER A 62 8.097 13.932 8.022 1.00 0.00 N ATOM 787 CA SER A 62 8.603 12.587 7.837 1.00 0.00 C ATOM 788 C SER A 62 7.804 11.612 8.690 1.00 0.00 C ATOM 789 O SER A 62 7.565 11.866 9.868 1.00 0.00 O ATOM 790 CB SER A 62 10.082 12.545 8.210 1.00 0.00 C ATOM 791 OG SER A 62 10.243 12.973 9.543 1.00 0.00 O ATOM 0 H SER A 62 8.041 14.230 8.996 1.00 0.00 H new ATOM 0 HA SER A 62 8.496 12.295 6.792 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.469 11.533 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.655 13.185 7.540 1.00 0.00 H new ATOM 0 HG SER A 62 9.395 12.872 10.024 1.00 0.00 H new ATOM 797 N ALA A 63 7.392 10.492 8.091 1.00 0.00 N ATOM 798 CA ALA A 63 6.623 9.486 8.796 1.00 0.00 C ATOM 799 C ALA A 63 7.355 8.153 8.751 1.00 0.00 C ATOM 800 O ALA A 63 8.296 7.985 7.978 1.00 0.00 O ATOM 801 CB ALA A 63 5.241 9.367 8.162 1.00 0.00 C ATOM 0 H ALA A 63 7.584 10.266 7.115 1.00 0.00 H new ATOM 0 HA ALA A 63 6.505 9.777 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.662 8.611 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.728 10.327 8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.344 9.079 7.116 1.00 0.00 H new ATOM 807 N SER A 64 6.921 7.203 9.582 1.00 0.00 N ATOM 808 CA SER A 64 7.536 5.891 9.631 1.00 0.00 C ATOM 809 C SER A 64 6.499 4.849 10.026 1.00 0.00 C ATOM 810 O SER A 64 5.762 5.038 10.991 1.00 0.00 O ATOM 811 CB SER A 64 8.692 5.909 10.627 1.00 0.00 C ATOM 812 OG SER A 64 9.172 7.228 10.765 1.00 0.00 O ATOM 0 H SER A 64 6.142 7.327 10.229 1.00 0.00 H new ATOM 0 HA SER A 64 7.926 5.631 8.647 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.360 5.528 11.593 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.492 5.253 10.284 1.00 0.00 H new ATOM 0 HG SER A 64 9.913 7.241 11.406 1.00 0.00 H new ATOM 818 N THR A 65 6.444 3.745 9.278 1.00 0.00 N ATOM 819 CA THR A 65 5.500 2.682 9.557 1.00 0.00 C ATOM 820 C THR A 65 5.886 1.429 8.784 1.00 0.00 C ATOM 821 O THR A 65 6.708 1.487 7.873 1.00 0.00 O ATOM 822 CB THR A 65 4.094 3.139 9.179 1.00 0.00 C ATOM 823 OG1 THR A 65 3.310 3.260 10.345 1.00 0.00 O ATOM 824 CG2 THR A 65 3.460 2.113 8.245 1.00 0.00 C ATOM 0 H THR A 65 7.047 3.572 8.474 1.00 0.00 H new ATOM 0 HA THR A 65 5.518 2.446 10.621 1.00 0.00 H new ATOM 0 HB THR A 65 4.149 4.104 8.676 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.756 3.861 10.978 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.456 2.439 7.975 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.066 2.018 7.344 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.405 1.148 8.748 1.00 0.00 H new ATOM 832 N SER A 66 5.288 0.293 9.151 1.00 0.00 N ATOM 833 CA SER A 66 5.570 -0.966 8.491 1.00 0.00 C ATOM 834 C SER A 66 4.284 -1.555 7.930 1.00 0.00 C ATOM 835 O SER A 66 3.271 -1.612 8.623 1.00 0.00 O ATOM 836 CB SER A 66 6.217 -1.927 9.485 1.00 0.00 C ATOM 837 OG SER A 66 6.993 -1.196 10.408 1.00 0.00 O ATOM 0 H SER A 66 4.604 0.228 9.905 1.00 0.00 H new ATOM 0 HA SER A 66 6.260 -0.800 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.449 -2.496 10.009 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.843 -2.647 8.957 1.00 0.00 H new ATOM 0 HG SER A 66 7.407 -1.812 11.048 1.00 0.00 H new ATOM 843 N LEU A 67 4.326 -1.994 6.670 1.00 0.00 N ATOM 844 CA LEU A 67 3.167 -2.576 6.023 1.00 0.00 C ATOM 845 C LEU A 67 3.376 -4.072 5.838 1.00 0.00 C ATOM 846 O LEU A 67 4.300 -4.491 5.144 1.00 0.00 O ATOM 847 CB LEU A 67 2.939 -1.892 4.678 1.00 0.00 C ATOM 848 CG LEU A 67 1.456 -1.952 4.323 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.054 -3.400 4.060 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.633 -1.397 5.481 1.00 0.00 C ATOM 0 H LEU A 67 5.159 -1.953 6.082 1.00 0.00 H new ATOM 0 HA LEU A 67 2.285 -2.427 6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.271 -0.855 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.530 -2.382 3.904 1.00 0.00 H new ATOM 0 HG LEU A 67 1.272 -1.356 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.005 -3.443 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.642 -3.796 3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.238 -3.997 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.426 -1.440 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.816 -1.992 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.920 -0.362 5.668 1.00 0.00 H new ATOM 862 N THR A 68 2.515 -4.879 6.462 1.00 0.00 N ATOM 863 CA THR A 68 2.612 -6.321 6.361 1.00 0.00 C ATOM 864 C THR A 68 2.261 -6.766 4.948 1.00 0.00 C ATOM 865 O THR A 68 1.376 -6.194 4.316 1.00 0.00 O ATOM 866 CB THR A 68 1.676 -6.966 7.379 1.00 0.00 C ATOM 867 OG1 THR A 68 1.596 -8.352 7.131 1.00 0.00 O ATOM 868 CG2 THR A 68 0.287 -6.346 7.257 1.00 0.00 C ATOM 0 H THR A 68 1.744 -4.549 7.042 1.00 0.00 H new ATOM 0 HA THR A 68 3.633 -6.635 6.575 1.00 0.00 H new ATOM 0 HB THR A 68 2.061 -6.798 8.385 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.593 -8.837 7.983 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.382 -6.806 7.984 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.349 -5.275 7.448 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.099 -6.513 6.252 1.00 0.00 H new ATOM 876 N VAL A 69 2.959 -7.792 4.455 1.00 0.00 N ATOM 877 CA VAL A 69 2.719 -8.309 3.123 1.00 0.00 C ATOM 878 C VAL A 69 2.008 -9.652 3.212 1.00 0.00 C ATOM 879 O VAL A 69 2.425 -10.529 3.965 1.00 0.00 O ATOM 880 CB VAL A 69 4.048 -8.449 2.385 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.064 -9.763 1.610 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.216 -7.283 1.415 1.00 0.00 C ATOM 0 H VAL A 69 3.696 -8.277 4.967 1.00 0.00 H new ATOM 0 HA VAL A 69 2.082 -7.619 2.570 1.00 0.00 H new ATOM 0 HB VAL A 69 4.866 -8.443 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.013 -9.863 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.944 -10.596 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.246 -9.770 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.165 -7.382 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.398 -7.288 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.205 -6.344 1.969 1.00 0.00 H new ATOM 892 N ARG A 70 0.931 -9.811 2.440 1.00 0.00 N ATOM 893 CA ARG A 70 0.168 -11.043 2.436 1.00 0.00 C ATOM 894 C ARG A 70 0.189 -11.658 1.044 1.00 0.00 C ATOM 895 O ARG A 70 0.315 -10.946 0.050 1.00 0.00 O ATOM 896 CB ARG A 70 -1.264 -10.755 2.878 1.00 0.00 C ATOM 897 CG ARG A 70 -1.365 -10.888 4.395 1.00 0.00 C ATOM 898 CD ARG A 70 -0.129 -10.270 5.043 1.00 0.00 C ATOM 899 NE ARG A 70 -0.382 -9.941 6.446 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.242 -10.831 7.437 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.145 -12.084 7.163 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.490 -10.469 8.704 1.00 0.00 N ATOM 0 H ARG A 70 0.573 -9.093 1.810 1.00 0.00 H new ATOM 0 HA ARG A 70 0.613 -11.753 3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.556 -9.751 2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.952 -11.449 2.395 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.265 -10.390 4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.448 -11.938 4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.708 -10.965 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.159 -9.369 4.501 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.678 -8.993 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.333 -12.360 6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.252 -12.761 7.918 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.785 -9.515 8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.383 -11.147 9.458 1.00 0.00 H new ATOM 916 N ARG A 71 0.064 -12.985 0.974 1.00 0.00 N ATOM 917 CA ARG A 71 0.070 -13.689 -0.293 1.00 0.00 C ATOM 918 C ARG A 71 -1.341 -13.739 -0.861 1.00 0.00 C ATOM 919 O ARG A 71 -1.535 -14.117 -2.014 1.00 0.00 O ATOM 920 CB ARG A 71 0.621 -15.097 -0.089 1.00 0.00 C ATOM 921 CG ARG A 71 -0.310 -15.880 0.831 1.00 0.00 C ATOM 922 CD ARG A 71 -0.804 -17.131 0.111 1.00 0.00 C ATOM 923 NE ARG A 71 -1.613 -17.964 1.001 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.984 -19.213 0.688 1.00 0.00 C ATOM 925 NH1 ARG A 71 -1.612 -19.749 -0.483 1.00 0.00 N ATOM 926 NH2 ARG A 71 -2.727 -19.927 1.545 1.00 0.00 N ATOM 0 H ARG A 71 -0.043 -13.589 1.789 1.00 0.00 H new ATOM 0 HA ARG A 71 0.708 -13.163 -1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.713 -15.605 -1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.620 -15.049 0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.214 -16.157 1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.156 -15.258 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.393 -16.845 -0.760 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.048 -17.704 -0.255 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.907 -17.578 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.047 -19.206 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.894 -20.700 -0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.010 -19.520 2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.009 -20.878 1.306 1.00 0.00 H new ATOM 940 N SER A 72 -2.328 -13.357 -0.047 1.00 0.00 N ATOM 941 CA SER A 72 -3.713 -13.360 -0.474 1.00 0.00 C ATOM 942 C SER A 72 -4.587 -12.740 0.607 1.00 0.00 C ATOM 943 O SER A 72 -4.276 -12.836 1.792 1.00 0.00 O ATOM 944 CB SER A 72 -4.151 -14.792 -0.768 1.00 0.00 C ATOM 945 OG SER A 72 -5.068 -15.214 0.217 1.00 0.00 O ATOM 0 H SER A 72 -2.184 -13.042 0.913 1.00 0.00 H new ATOM 0 HA SER A 72 -3.819 -12.768 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.610 -14.848 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.285 -15.453 -0.781 1.00 0.00 H new ATOM 0 HG SER A 72 -5.351 -16.133 0.028 1.00 0.00 H new ATOM 951 N PHE A 73 -5.686 -12.102 0.195 1.00 0.00 N ATOM 952 CA PHE A 73 -6.597 -11.472 1.129 1.00 0.00 C ATOM 953 C PHE A 73 -7.791 -10.899 0.379 1.00 0.00 C ATOM 954 O PHE A 73 -7.713 -10.656 -0.823 1.00 0.00 O ATOM 955 CB PHE A 73 -5.862 -10.376 1.895 1.00 0.00 C ATOM 956 CG PHE A 73 -5.027 -9.480 1.012 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.651 -8.583 0.137 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.630 -9.547 1.067 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.878 -7.753 -0.684 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.857 -8.717 0.247 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.481 -7.820 -0.629 1.00 0.00 C ATOM 0 H PHE A 73 -5.959 -12.013 -0.784 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.962 -12.212 1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.590 -9.768 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.218 -10.837 2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.729 -8.531 0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.149 -10.239 1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.359 -7.061 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.779 -8.768 0.290 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.884 -7.180 -1.262 1.00 0.00 H new ATOM 971 N GLU A 74 -8.899 -10.682 1.092 1.00 0.00 N ATOM 972 CA GLU A 74 -10.099 -10.138 0.489 1.00 0.00 C ATOM 973 C GLU A 74 -9.799 -8.779 -0.130 1.00 0.00 C ATOM 974 O GLU A 74 -9.519 -7.818 0.583 1.00 0.00 O ATOM 975 CB GLU A 74 -11.191 -10.020 1.548 1.00 0.00 C ATOM 976 CG GLU A 74 -10.726 -9.080 2.656 1.00 0.00 C ATOM 977 CD GLU A 74 -11.101 -9.627 4.026 1.00 0.00 C ATOM 978 OE1 GLU A 74 -10.598 -10.722 4.357 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.885 -8.939 4.716 1.00 0.00 O ATOM 0 H GLU A 74 -8.981 -10.878 2.090 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.446 -10.804 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.109 -9.643 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.419 -11.002 1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.646 -8.947 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.176 -8.097 2.517 1.00 0.00 H new ATOM 986 N GLY A 75 -9.860 -8.701 -1.461 1.00 0.00 N ATOM 987 CA GLY A 75 -9.595 -7.461 -2.163 1.00 0.00 C ATOM 988 C GLY A 75 -10.749 -6.487 -1.967 1.00 0.00 C ATOM 989 O GLY A 75 -11.734 -6.532 -2.700 1.00 0.00 O ATOM 0 H GLY A 75 -10.092 -9.488 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.669 -7.018 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.454 -7.659 -3.225 1.00 0.00 H new ATOM 993 N PHE A 76 -10.625 -5.605 -0.973 1.00 0.00 N ATOM 994 CA PHE A 76 -11.655 -4.627 -0.687 1.00 0.00 C ATOM 995 C PHE A 76 -11.500 -3.428 -1.612 1.00 0.00 C ATOM 996 O PHE A 76 -10.679 -2.549 -1.360 1.00 0.00 O ATOM 997 CB PHE A 76 -11.558 -4.200 0.774 1.00 0.00 C ATOM 998 CG PHE A 76 -12.696 -4.707 1.627 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.979 -4.168 1.475 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.468 -5.714 2.573 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.034 -4.637 2.267 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.523 -6.183 3.365 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.806 -5.644 3.212 1.00 0.00 C ATOM 0 H PHE A 76 -9.815 -5.555 -0.355 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.637 -5.067 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.616 -4.560 1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.533 -3.111 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.155 -3.390 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.478 -6.129 2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.024 -4.222 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.347 -6.960 4.094 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.620 -6.005 3.823 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.293 -3.393 -2.686 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.241 -2.304 -3.640 1.00 0.00 C ATOM 1015 C LEU A 77 -12.439 -0.977 -2.922 1.00 0.00 C ATOM 1016 O LEU A 77 -13.350 -0.839 -2.109 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.316 -2.509 -4.704 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.801 -1.151 -5.204 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.665 -0.445 -5.939 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.977 -1.350 -6.156 1.00 0.00 C ATOM 0 H LEU A 77 -12.979 -4.114 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.265 -2.288 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.916 -3.092 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.150 -3.075 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.119 -0.544 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.010 0.525 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.825 -0.303 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.347 -1.052 -6.787 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.324 -0.380 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.660 -1.957 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.788 -1.855 -5.632 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.582 0.001 -3.223 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.668 1.309 -2.606 1.00 0.00 C ATOM 1034 C PHE A 78 -13.109 1.798 -2.633 1.00 0.00 C ATOM 1035 O PHE A 78 -13.570 2.432 -1.686 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.752 2.280 -3.344 1.00 0.00 C ATOM 1037 CG PHE A 78 -10.934 2.259 -4.843 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -12.012 2.933 -5.428 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -10.022 1.566 -5.649 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.179 2.914 -6.818 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -10.188 1.548 -7.039 1.00 0.00 C ATOM 1042 CZ PHE A 78 -11.267 2.222 -7.623 1.00 0.00 C ATOM 0 H PHE A 78 -10.820 -0.098 -3.894 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.346 1.247 -1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.936 3.290 -2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.715 2.039 -3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.715 3.468 -4.807 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.190 1.045 -5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.012 3.433 -7.269 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.484 1.014 -7.660 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.396 2.208 -8.695 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.822 1.503 -3.722 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.204 1.914 -3.867 1.00 0.00 C ATOM 1054 C ASP A 79 -16.024 1.382 -2.701 1.00 0.00 C ATOM 1055 O ASP A 79 -17.129 1.856 -2.449 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.751 1.397 -5.194 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.659 2.429 -5.847 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.413 3.632 -5.610 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.581 1.997 -6.572 1.00 0.00 O ATOM 0 H ASP A 79 -13.455 0.978 -4.516 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.267 3.002 -3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.925 1.158 -5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.305 0.473 -5.028 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.481 0.392 -1.987 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.169 -0.195 -0.855 1.00 0.00 C ATOM 1066 C GLY A 80 -16.880 -1.474 -1.274 1.00 0.00 C ATOM 1067 O GLY A 80 -17.892 -1.847 -0.684 1.00 0.00 O ATOM 0 H GLY A 80 -14.565 -0.014 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.456 -0.411 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.891 0.515 -0.451 1.00 0.00 H new ATOM 1071 N THR A 81 -16.349 -2.146 -2.298 1.00 0.00 N ATOM 1072 CA THR A 81 -16.936 -3.377 -2.787 1.00 0.00 C ATOM 1073 C THR A 81 -15.979 -4.537 -2.555 1.00 0.00 C ATOM 1074 O THR A 81 -14.766 -4.379 -2.679 1.00 0.00 O ATOM 1075 CB THR A 81 -17.259 -3.231 -4.271 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.521 -2.621 -4.420 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.279 -4.609 -4.926 1.00 0.00 C ATOM 0 H THR A 81 -15.512 -1.850 -2.800 1.00 0.00 H new ATOM 0 HA THR A 81 -17.859 -3.582 -2.245 1.00 0.00 H new ATOM 0 HB THR A 81 -16.499 -2.613 -4.749 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.728 -2.526 -5.373 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.510 -4.505 -5.986 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.303 -5.080 -4.812 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.039 -5.228 -4.449 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.528 -5.706 -2.217 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.723 -6.885 -1.969 1.00 0.00 C ATOM 1087 C ARG A 82 -15.435 -7.599 -3.282 1.00 0.00 C ATOM 1088 O ARG A 82 -16.252 -8.387 -3.754 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.460 -7.808 -1.002 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.449 -8.676 -0.257 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.006 -9.041 1.116 1.00 0.00 C ATOM 1092 NE ARG A 82 -15.755 -10.448 1.427 1.00 0.00 N ATOM 1093 CZ ARG A 82 -16.573 -11.435 1.038 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.676 -11.152 0.332 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -16.289 -12.706 1.355 1.00 0.00 N ATOM 0 H ARG A 82 -17.532 -5.853 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.773 -6.594 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.042 -7.219 -0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.163 -8.437 -1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.239 -9.580 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.505 -8.142 -0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.548 -8.409 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.078 -8.845 1.141 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.921 -10.688 1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.893 -10.185 0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.299 -11.904 0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.450 -12.922 1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.912 -13.457 1.059 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.270 -7.323 -3.872 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.886 -7.943 -5.124 1.00 0.00 C ATOM 1111 C TRP A 83 -13.749 -9.447 -4.938 1.00 0.00 C ATOM 1112 O TRP A 83 -14.433 -10.222 -5.603 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.571 -7.336 -5.608 1.00 0.00 C ATOM 1114 CG TRP A 83 -11.717 -8.254 -6.423 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -10.403 -8.488 -6.214 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.088 -9.068 -7.577 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -9.938 -9.384 -7.153 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -10.938 -9.775 -8.020 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.278 -9.280 -8.295 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -10.966 -10.645 -9.114 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.317 -10.151 -9.394 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.166 -10.833 -9.805 1.00 0.00 C ATOM 0 H TRP A 83 -13.581 -6.672 -3.495 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.655 -7.760 -5.874 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.793 -6.449 -6.200 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.999 -7.005 -4.741 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -9.808 -8.042 -5.431 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.975 -9.716 -7.201 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.178 -8.763 -7.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -10.071 -11.166 -9.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -14.244 -10.297 -9.928 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.205 -11.502 -10.652 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.863 -9.860 -4.029 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.645 -11.268 -3.763 1.00 0.00 C ATOM 1135 C GLY A 84 -11.242 -11.491 -3.218 1.00 0.00 C ATOM 1136 O GLY A 84 -10.423 -10.574 -3.209 1.00 0.00 O ATOM 0 H GLY A 84 -12.288 -9.231 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.383 -11.628 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.783 -11.844 -4.678 1.00 0.00 H new ATOM 1140 N THR A 85 -10.964 -12.714 -2.761 1.00 0.00 N ATOM 1141 CA THR A 85 -9.662 -13.047 -2.219 1.00 0.00 C ATOM 1142 C THR A 85 -8.605 -12.946 -3.308 1.00 0.00 C ATOM 1143 O THR A 85 -8.509 -13.820 -4.168 1.00 0.00 O ATOM 1144 CB THR A 85 -9.702 -14.456 -1.633 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.982 -14.706 -1.097 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.655 -14.578 -0.529 1.00 0.00 C ATOM 0 H THR A 85 -11.631 -13.486 -2.759 1.00 0.00 H new ATOM 0 HA THR A 85 -9.404 -12.344 -1.427 1.00 0.00 H new ATOM 0 HB THR A 85 -9.489 -15.182 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.009 -15.611 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.683 -15.584 -0.110 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.665 -14.385 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.868 -13.852 0.256 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.809 -11.875 -3.271 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.764 -11.664 -4.252 1.00 0.00 C ATOM 1156 C VAL A 86 -5.549 -12.510 -3.900 1.00 0.00 C ATOM 1157 O VAL A 86 -5.299 -12.783 -2.728 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.398 -10.183 -4.294 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -7.631 -9.344 -3.969 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.306 -9.900 -3.266 1.00 0.00 C ATOM 0 H VAL A 86 -7.876 -11.142 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.119 -11.965 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.036 -9.927 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.370 -8.286 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.412 -9.546 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.993 -9.600 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.044 -8.842 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.668 -10.157 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.425 -10.499 -3.497 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.793 -12.925 -4.919 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.611 -13.737 -4.712 1.00 0.00 C ATOM 1172 C ASP A 87 -2.365 -12.925 -5.034 1.00 0.00 C ATOM 1173 O ASP A 87 -1.982 -12.806 -6.196 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.688 -14.981 -5.594 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.219 -16.172 -4.808 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.369 -16.018 -3.577 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.464 -17.213 -5.454 1.00 0.00 O ATOM 0 H ASP A 87 -4.987 -12.706 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.558 -14.050 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.336 -14.786 -6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.699 -15.213 -5.990 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.733 -12.363 -4.001 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.536 -11.566 -4.177 1.00 0.00 C ATOM 1184 C CYS A 88 0.493 -12.353 -4.977 1.00 0.00 C ATOM 1185 O CYS A 88 1.353 -11.767 -5.632 1.00 0.00 O ATOM 1186 CB CYS A 88 0.022 -11.177 -2.811 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.751 -9.707 -2.092 1.00 0.00 S ATOM 0 H CYS A 88 -2.039 -12.451 -3.032 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.777 -10.656 -4.727 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.106 -12.015 -2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.094 -11.003 -2.904 1.00 0.00 H new ATOM 1192 N THR A 89 0.405 -13.684 -4.922 1.00 0.00 N ATOM 1193 CA THR A 89 1.328 -14.538 -5.642 1.00 0.00 C ATOM 1194 C THR A 89 0.880 -14.684 -7.089 1.00 0.00 C ATOM 1195 O THR A 89 1.529 -15.368 -7.877 1.00 0.00 O ATOM 1196 CB THR A 89 1.398 -15.900 -4.958 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.149 -16.544 -5.065 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.749 -15.712 -3.484 1.00 0.00 C ATOM 0 H THR A 89 -0.300 -14.186 -4.383 1.00 0.00 H new ATOM 0 HA THR A 89 2.322 -14.090 -5.636 1.00 0.00 H new ATOM 0 HB THR A 89 2.163 -16.509 -5.439 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.194 -17.420 -4.627 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.799 -16.685 -2.995 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.715 -15.214 -3.401 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.984 -15.103 -3.003 1.00 0.00 H new ATOM 1206 N THR A 90 -0.235 -14.037 -7.438 1.00 0.00 N ATOM 1207 CA THR A 90 -0.760 -14.100 -8.787 1.00 0.00 C ATOM 1208 C THR A 90 -0.794 -12.705 -9.395 1.00 0.00 C ATOM 1209 O THR A 90 -0.693 -12.552 -10.611 1.00 0.00 O ATOM 1210 CB THR A 90 -2.157 -14.712 -8.760 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.054 -16.115 -8.673 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.903 -14.335 -10.037 1.00 0.00 C ATOM 0 H THR A 90 -0.786 -13.465 -6.798 1.00 0.00 H new ATOM 0 HA THR A 90 -0.115 -14.726 -9.403 1.00 0.00 H new ATOM 0 HB THR A 90 -2.702 -14.333 -7.896 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.951 -16.508 -8.654 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.901 -14.772 -10.018 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.983 -13.250 -10.105 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.358 -14.713 -10.902 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.937 -11.686 -8.545 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.985 -10.311 -9.001 1.00 0.00 C ATOM 1222 C ALA A 91 0.042 -9.481 -8.244 1.00 0.00 C ATOM 1223 O ALA A 91 0.754 -10.001 -7.388 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.391 -9.755 -8.790 1.00 0.00 C ATOM 0 H ALA A 91 -1.021 -11.797 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.747 -10.267 -10.064 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.429 -8.721 -9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.107 -10.351 -9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.643 -9.796 -7.730 1.00 0.00 H new ATOM 1230 N ALA A 92 0.118 -8.187 -8.563 1.00 0.00 N ATOM 1231 CA ALA A 92 1.057 -7.294 -7.914 1.00 0.00 C ATOM 1232 C ALA A 92 0.348 -6.504 -6.824 1.00 0.00 C ATOM 1233 O ALA A 92 -0.657 -5.847 -7.085 1.00 0.00 O ATOM 1234 CB ALA A 92 1.666 -6.357 -8.953 1.00 0.00 C ATOM 0 H ALA A 92 -0.466 -7.741 -9.271 1.00 0.00 H new ATOM 0 HA ALA A 92 1.857 -7.873 -7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.373 -5.684 -8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.186 -6.943 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.875 -5.773 -9.424 1.00 0.00 H new ATOM 1240 N CYS A 93 0.875 -6.568 -5.599 1.00 0.00 N ATOM 1241 CA CYS A 93 0.292 -5.861 -4.477 1.00 0.00 C ATOM 1242 C CYS A 93 1.129 -4.632 -4.152 1.00 0.00 C ATOM 1243 O CYS A 93 2.328 -4.607 -4.420 1.00 0.00 O ATOM 1244 CB CYS A 93 0.213 -6.795 -3.273 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.703 -8.324 -3.588 1.00 0.00 S ATOM 0 H CYS A 93 1.709 -7.108 -5.367 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.716 -5.533 -4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.224 -7.048 -2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.258 -6.265 -2.445 1.00 0.00 H new ATOM 1250 N GLN A 94 0.494 -3.610 -3.573 1.00 0.00 N ATOM 1251 CA GLN A 94 1.183 -2.386 -3.217 1.00 0.00 C ATOM 1252 C GLN A 94 0.607 -1.827 -1.923 1.00 0.00 C ATOM 1253 O GLN A 94 -0.582 -1.979 -1.653 1.00 0.00 O ATOM 1254 CB GLN A 94 1.041 -1.376 -4.352 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.118 -0.430 -4.051 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.733 0.101 -5.338 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.565 1.272 -5.671 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.449 -0.763 -6.061 1.00 0.00 N ATOM 0 H GLN A 94 -0.500 -3.615 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 94 2.242 -2.592 -3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.965 -0.810 -4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.865 -1.895 -5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.877 -0.952 -3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.235 0.402 -3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.560 -1.726 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.885 -0.461 -6.932 1.00 0.00 H new ATOM 1267 N VAL A 95 1.456 -1.178 -1.122 1.00 0.00 N ATOM 1268 CA VAL A 95 1.029 -0.600 0.137 1.00 0.00 C ATOM 1269 C VAL A 95 1.059 0.918 0.042 1.00 0.00 C ATOM 1270 O VAL A 95 1.736 1.475 -0.819 1.00 0.00 O ATOM 1271 CB VAL A 95 1.942 -1.091 1.256 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.906 -0.099 2.415 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.464 -2.457 1.741 1.00 0.00 C ATOM 0 H VAL A 95 2.445 -1.044 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 95 0.008 -0.910 0.358 1.00 0.00 H new ATOM 0 HB VAL A 95 2.962 -1.175 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.558 -0.450 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.248 0.877 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.886 -0.014 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.116 -2.808 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.444 -2.374 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.490 -3.166 0.914 1.00 0.00 H new ATOM 1283 N GLY A 96 0.324 1.589 0.932 1.00 0.00 N ATOM 1284 CA GLY A 96 0.274 3.038 0.940 1.00 0.00 C ATOM 1285 C GLY A 96 -0.575 3.530 2.104 1.00 0.00 C ATOM 1286 O GLY A 96 -1.281 2.746 2.735 1.00 0.00 O ATOM 0 H GLY A 96 -0.243 1.144 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.283 3.443 1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.141 3.400 -0.001 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.505 4.833 2.386 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.265 5.423 3.470 1.00 0.00 C ATOM 1292 C LEU A 97 -2.106 6.577 2.943 1.00 0.00 C ATOM 1293 O LEU A 97 -1.579 7.499 2.324 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.310 5.903 4.559 1.00 0.00 C ATOM 1295 CG LEU A 97 0.563 7.027 4.009 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.674 8.140 5.048 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.954 6.484 3.695 1.00 0.00 C ATOM 0 H LEU A 97 0.075 5.495 1.871 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.935 4.677 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.874 6.255 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.314 5.077 4.901 1.00 0.00 H new ATOM 0 HG LEU A 97 0.114 7.423 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.298 8.943 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.319 8.529 5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.123 7.744 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.578 7.287 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.404 6.087 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.875 5.689 2.953 1.00 0.00 H new ATOM 1309 N SER A 98 -3.416 6.525 3.190 1.00 0.00 N ATOM 1310 CA SER A 98 -4.320 7.565 2.741 1.00 0.00 C ATOM 1311 C SER A 98 -4.881 8.315 3.941 1.00 0.00 C ATOM 1312 O SER A 98 -5.134 7.719 4.986 1.00 0.00 O ATOM 1313 CB SER A 98 -5.444 6.940 1.920 1.00 0.00 C ATOM 1314 OG SER A 98 -4.964 6.621 0.633 1.00 0.00 O ATOM 0 H SER A 98 -3.868 5.767 3.701 1.00 0.00 H new ATOM 0 HA SER A 98 -3.781 8.275 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.814 6.042 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.283 7.632 1.846 1.00 0.00 H new ATOM 0 HG SER A 98 -5.685 6.218 0.106 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.077 9.626 3.788 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.606 10.450 4.857 1.00 0.00 C ATOM 1322 C ASP A 99 -7.081 10.731 4.608 1.00 0.00 C ATOM 1323 O ASP A 99 -7.732 10.014 3.852 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.814 11.751 4.936 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.399 12.802 4.002 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.522 12.486 2.799 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.712 13.900 4.510 1.00 0.00 O ATOM 0 H ASP A 99 -4.874 10.134 2.927 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.511 9.925 5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.822 12.124 5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.773 11.564 4.673 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.608 11.777 5.248 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.001 12.146 5.094 1.00 0.00 C ATOM 1334 C ALA A 100 -9.238 12.693 3.694 1.00 0.00 C ATOM 1335 O ALA A 100 -10.184 12.292 3.020 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.372 13.183 6.151 1.00 0.00 C ATOM 0 H ALA A 100 -7.081 12.381 5.879 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.631 11.267 5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.420 13.461 6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.215 12.762 7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.746 14.067 6.029 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.374 13.613 3.257 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.494 14.211 1.943 1.00 0.00 C ATOM 1344 C ALA A 101 -8.238 13.159 0.873 1.00 0.00 C ATOM 1345 O ALA A 101 -8.637 13.332 -0.277 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.502 15.363 1.817 1.00 0.00 C ATOM 0 H ALA A 101 -7.584 13.955 3.804 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.503 14.601 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.591 15.814 0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.717 16.113 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.488 14.987 1.954 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.572 12.067 1.253 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.269 10.998 0.322 1.00 0.00 C ATOM 1354 C GLY A 102 -5.942 11.265 -0.375 1.00 0.00 C ATOM 1355 O GLY A 102 -5.871 11.261 -1.602 1.00 0.00 O ATOM 0 H GLY A 102 -7.235 11.907 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.224 10.047 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.065 10.914 -0.417 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.890 11.499 0.412 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.574 11.766 -0.133 1.00 0.00 C ATOM 1361 C ASN A 103 -2.532 10.921 0.587 1.00 0.00 C ATOM 1362 O ASN A 103 -2.820 10.328 1.625 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.257 13.252 0.011 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.392 13.507 1.236 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.334 14.123 1.133 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.845 13.032 2.399 1.00 0.00 N ATOM 0 H ASN A 103 -4.933 11.507 1.431 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.556 11.503 -1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.743 13.606 -0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.184 13.820 0.091 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.306 13.175 3.253 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.730 12.526 2.433 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.318 10.867 0.034 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.245 10.095 0.628 1.00 0.00 C ATOM 1375 C GLY A 104 1.056 10.333 -0.126 1.00 0.00 C ATOM 1376 O GLY A 104 1.074 11.044 -1.128 1.00 0.00 O ATOM 0 H GLY A 104 -1.062 11.353 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.123 10.374 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.496 9.035 0.608 1.00 0.00 H new ATOM 1380 N PRO A 105 2.146 9.736 0.361 1.00 0.00 N ATOM 1381 CA PRO A 105 3.466 9.846 -0.223 1.00 0.00 C ATOM 1382 C PRO A 105 3.520 9.048 -1.518 1.00 0.00 C ATOM 1383 O PRO A 105 2.597 8.298 -1.826 1.00 0.00 O ATOM 1384 CB PRO A 105 4.407 9.255 0.824 1.00 0.00 C ATOM 1385 CG PRO A 105 3.529 8.217 1.522 1.00 0.00 C ATOM 1386 CD PRO A 105 2.160 8.893 1.537 1.00 0.00 C ATOM 0 HA PRO A 105 3.736 10.872 -0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.286 8.800 0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.766 10.014 1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.508 7.272 0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.884 7.998 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.356 8.157 1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.019 9.480 2.445 1.00 0.00 H new ATOM 1394 N GLU A 106 4.605 9.213 -2.278 1.00 0.00 N ATOM 1395 CA GLU A 106 4.770 8.508 -3.534 1.00 0.00 C ATOM 1396 C GLU A 106 4.296 7.069 -3.388 1.00 0.00 C ATOM 1397 O GLU A 106 4.823 6.319 -2.569 1.00 0.00 O ATOM 1398 CB GLU A 106 6.236 8.555 -3.953 1.00 0.00 C ATOM 1399 CG GLU A 106 7.116 8.155 -2.772 1.00 0.00 C ATOM 1400 CD GLU A 106 7.785 9.375 -2.155 1.00 0.00 C ATOM 1401 OE1 GLU A 106 7.037 10.224 -1.623 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.031 9.436 -2.227 1.00 0.00 O ATOM 0 H GLU A 106 5.379 9.832 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 106 4.169 8.989 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.407 7.881 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.497 9.558 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.513 7.647 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.876 7.447 -3.103 1.00 0.00 H new ATOM 1409 N GLY A 107 3.298 6.683 -4.186 1.00 0.00 N ATOM 1410 CA GLY A 107 2.763 5.337 -4.138 1.00 0.00 C ATOM 1411 C GLY A 107 3.890 4.327 -3.975 1.00 0.00 C ATOM 1412 O GLY A 107 5.052 4.646 -4.215 1.00 0.00 O ATOM 0 H GLY A 107 2.849 7.291 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.061 5.246 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.206 5.127 -5.051 1.00 0.00 H new ATOM 1416 N VAL A 108 3.542 3.105 -3.565 1.00 0.00 N ATOM 1417 CA VAL A 108 4.522 2.055 -3.372 1.00 0.00 C ATOM 1418 C VAL A 108 4.089 0.802 -4.119 1.00 0.00 C ATOM 1419 O VAL A 108 3.188 0.093 -3.676 1.00 0.00 O ATOM 1420 CB VAL A 108 4.674 1.771 -1.880 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.409 0.448 -1.687 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.471 2.896 -1.227 1.00 0.00 C ATOM 0 H VAL A 108 2.582 2.826 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 108 5.486 2.374 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 108 3.688 1.710 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.518 0.244 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.840 -0.356 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.395 0.509 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.580 2.694 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.457 2.958 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.946 3.841 -1.365 1.00 0.00 H new ATOM 1432 N ALA A 109 4.734 0.529 -5.255 1.00 0.00 N ATOM 1433 CA ALA A 109 4.412 -0.634 -6.057 1.00 0.00 C ATOM 1434 C ALA A 109 5.211 -1.834 -5.568 1.00 0.00 C ATOM 1435 O ALA A 109 6.440 -1.797 -5.547 1.00 0.00 O ATOM 1436 CB ALA A 109 4.719 -0.341 -7.523 1.00 0.00 C ATOM 0 H ALA A 109 5.485 1.106 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 109 3.351 -0.865 -5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.477 -1.215 -8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.122 0.507 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.778 -0.106 -7.633 1.00 0.00 H new ATOM 1442 N ILE A 110 4.510 -2.900 -5.174 1.00 0.00 N ATOM 1443 CA ILE A 110 5.154 -4.104 -4.689 1.00 0.00 C ATOM 1444 C ILE A 110 5.208 -5.143 -5.800 1.00 0.00 C ATOM 1445 O ILE A 110 4.375 -5.130 -6.704 1.00 0.00 O ATOM 1446 CB ILE A 110 4.388 -4.639 -3.483 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.913 -3.472 -2.622 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.302 -5.541 -2.658 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.119 -4.007 -1.433 1.00 0.00 C ATOM 0 H ILE A 110 3.491 -2.945 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 110 6.175 -3.877 -4.382 1.00 0.00 H new ATOM 0 HB ILE A 110 3.526 -5.211 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.768 -2.893 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.293 -2.798 -3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.755 -5.923 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.640 -6.375 -3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.165 -4.969 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.780 -3.174 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.256 -4.567 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.754 -4.663 -0.837 1.00 0.00 H new ATOM 1461 N SER A 111 6.191 -6.043 -5.731 1.00 0.00 N ATOM 1462 CA SER A 111 6.345 -7.082 -6.730 1.00 0.00 C ATOM 1463 C SER A 111 6.694 -8.401 -6.053 1.00 0.00 C ATOM 1464 O SER A 111 7.684 -8.487 -5.330 1.00 0.00 O ATOM 1465 CB SER A 111 7.433 -6.677 -7.720 1.00 0.00 C ATOM 1466 OG SER A 111 7.057 -7.075 -9.019 1.00 0.00 O ATOM 0 H SER A 111 6.890 -6.066 -4.988 1.00 0.00 H new ATOM 0 HA SER A 111 5.409 -7.212 -7.273 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.585 -5.598 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.380 -7.141 -7.446 1.00 0.00 H new ATOM 0 HG SER A 111 7.754 -6.814 -9.656 1.00 0.00 H new ATOM 1472 N PHE A 112 5.878 -9.430 -6.291 1.00 0.00 N ATOM 1473 CA PHE A 112 6.107 -10.736 -5.706 1.00 0.00 C ATOM 1474 C PHE A 112 6.927 -11.593 -6.659 1.00 0.00 C ATOM 1475 O PHE A 112 6.572 -11.740 -7.826 1.00 0.00 O ATOM 1476 CB PHE A 112 4.766 -11.397 -5.401 1.00 0.00 C ATOM 1477 CG PHE A 112 4.002 -10.725 -4.286 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.607 -9.388 -4.414 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.685 -11.440 -3.124 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.897 -8.766 -3.380 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.975 -10.818 -2.091 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.581 -9.481 -2.218 1.00 0.00 C ATOM 0 H PHE A 112 5.053 -9.375 -6.888 1.00 0.00 H new ATOM 0 HA PHE A 112 6.665 -10.629 -4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.155 -11.393 -6.303 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.936 -12.441 -5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.850 -8.836 -5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.989 -12.472 -3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.593 -7.734 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.731 -11.370 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.034 -9.001 -1.420 1.00 0.00 H new ATOM 1492 N ASN A 113 8.028 -12.159 -6.159 1.00 0.00 N ATOM 1493 CA ASN A 113 8.890 -12.997 -6.968 1.00 0.00 C ATOM 1494 C ASN A 113 9.097 -12.361 -8.335 1.00 0.00 C ATOM 1495 O ASN A 113 10.223 -12.044 -8.712 1.00 0.00 O ATOM 1496 CB ASN A 113 8.267 -14.383 -7.105 1.00 0.00 C ATOM 1497 CG ASN A 113 6.989 -14.324 -7.931 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.031 -14.459 -9.152 1.00 0.00 O ATOM 1499 ND2 ASN A 113 5.852 -14.125 -7.261 1.00 0.00 N ATOM 0 H ASN A 113 8.337 -12.046 -5.193 1.00 0.00 H new ATOM 0 HA ASN A 113 9.863 -13.095 -6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.978 -15.061 -7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.048 -14.787 -6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.965 -14.079 -7.763 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.870 -14.019 -6.247 1.00 0.00 H new