USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.0215) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00031) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-3!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 12 SER OG : rot -131:sc= 0.0061 USER MOD Single : A 64 HIS : no HD1:sc= -0.321 K(o=-0.32,f=-1.4) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.747 K(o=0.75,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= 1.2 (180deg=0.743) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -166:sc= -0.0397 (180deg=-0.347) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.532 K(o=-0.53,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.107 44.031 -9.648 1.00 0.00 N ATOM 2 CA MET A 1 13.863 42.906 -10.285 1.00 0.00 C ATOM 3 C MET A 1 13.101 41.575 -10.155 1.00 0.00 C ATOM 4 O MET A 1 12.503 41.126 -11.134 1.00 0.00 O ATOM 5 CB MET A 1 15.328 42.780 -9.791 1.00 0.00 C ATOM 6 CG MET A 1 16.235 43.926 -10.272 1.00 0.00 C ATOM 7 SD MET A 1 17.967 43.826 -9.719 1.00 0.00 S ATOM 8 CE MET A 1 18.571 42.428 -10.710 1.00 0.00 C ATOM 0 H1 MET A 1 13.646 44.914 -9.752 1.00 0.00 H new ATOM 0 H2 MET A 1 12.182 44.134 -10.111 1.00 0.00 H new ATOM 0 H3 MET A 1 12.968 43.827 -8.638 1.00 0.00 H new ATOM 0 HA MET A 1 13.934 43.155 -11.344 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.335 42.754 -8.701 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.740 41.831 -10.136 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.219 43.948 -11.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.814 44.871 -9.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.634 42.280 -10.520 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.024 41.525 -10.437 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.418 42.639 -11.768 1.00 0.00 H new ATOM 20 N ARG A 2 13.081 40.946 -8.966 1.00 0.00 N ATOM 21 CA ARG A 2 12.338 39.692 -8.695 1.00 0.00 C ATOM 22 C ARG A 2 10.820 39.936 -8.614 1.00 0.00 C ATOM 23 O ARG A 2 10.382 41.010 -8.196 1.00 0.00 O ATOM 24 CB ARG A 2 12.916 39.047 -7.417 1.00 0.00 C ATOM 25 CG ARG A 2 12.378 37.632 -7.135 1.00 0.00 C ATOM 26 CD ARG A 2 13.054 36.982 -5.921 1.00 0.00 C ATOM 27 NE ARG A 2 14.472 36.651 -6.179 1.00 0.00 N ATOM 28 CZ ARG A 2 15.347 36.188 -5.299 1.00 0.00 C ATOM 29 NH1 ARG A 2 15.031 35.970 -4.054 1.00 0.00 N ATOM 30 NH2 ARG A 2 16.573 35.934 -5.663 1.00 0.00 N ATOM 0 H ARG A 2 13.586 41.296 -8.152 1.00 0.00 H new ATOM 0 HA ARG A 2 12.469 38.996 -9.523 1.00 0.00 H new ATOM 0 HB2 ARG A 2 14.002 39.002 -7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 2 12.690 39.688 -6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.302 37.682 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 2 12.533 37.005 -8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 2 12.990 37.657 -5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 2 12.515 36.074 -5.650 1.00 0.00 H new ATOM 0 HE ARG A 2 14.810 36.794 -7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 2 14.083 36.156 -3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 2 15.732 35.613 -3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 2 16.861 36.092 -6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 2 17.244 35.578 -4.982 1.00 0.00 H new ATOM 44 N GLY A 3 10.027 38.934 -8.992 1.00 0.00 N ATOM 45 CA GLY A 3 8.557 38.959 -8.944 1.00 0.00 C ATOM 46 C GLY A 3 7.923 37.564 -9.040 1.00 0.00 C ATOM 47 O GLY A 3 8.620 36.561 -9.224 1.00 0.00 O ATOM 0 H GLY A 3 10.396 38.054 -9.352 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.239 39.432 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.184 39.577 -9.761 1.00 0.00 H new ATOM 51 N SER A 4 6.596 37.500 -8.901 1.00 0.00 N ATOM 52 CA SER A 4 5.808 36.257 -8.969 1.00 0.00 C ATOM 53 C SER A 4 5.415 35.884 -10.409 1.00 0.00 C ATOM 54 O SER A 4 5.345 36.746 -11.294 1.00 0.00 O ATOM 55 CB SER A 4 4.570 36.380 -8.073 1.00 0.00 C ATOM 56 OG SER A 4 3.968 35.109 -7.878 1.00 0.00 O ATOM 0 H SER A 4 6.023 38.327 -8.734 1.00 0.00 H new ATOM 0 HA SER A 4 6.437 35.445 -8.605 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.852 36.807 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.852 37.063 -8.527 1.00 0.00 H new ATOM 0 HG SER A 4 3.180 35.205 -7.303 1.00 0.00 H new ATOM 62 N HIS A 5 5.137 34.597 -10.644 1.00 0.00 N ATOM 63 CA HIS A 5 4.756 34.017 -11.945 1.00 0.00 C ATOM 64 C HIS A 5 3.604 33.009 -11.805 1.00 0.00 C ATOM 65 O HIS A 5 3.420 32.400 -10.746 1.00 0.00 O ATOM 66 CB HIS A 5 5.975 33.336 -12.594 1.00 0.00 C ATOM 67 CG HIS A 5 7.159 34.249 -12.824 1.00 0.00 C ATOM 68 ND1 HIS A 5 8.379 34.187 -12.142 1.00 0.00 N ATOM 69 CD2 HIS A 5 7.218 35.259 -13.742 1.00 0.00 C ATOM 70 CE1 HIS A 5 9.137 35.172 -12.654 1.00 0.00 C ATOM 71 NE2 HIS A 5 8.465 35.829 -13.616 1.00 0.00 N ATOM 0 H HIS A 5 5.172 33.897 -9.903 1.00 0.00 H new ATOM 0 HA HIS A 5 4.409 34.830 -12.582 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.290 32.506 -11.961 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.670 32.910 -13.550 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.440 35.553 -14.431 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.143 35.403 -12.338 1.00 0.00 H new ATOM 0 HE2 HIS A 5 8.819 36.616 -14.160 1.00 0.00 H new ATOM 79 N HIS A 6 2.849 32.801 -12.889 1.00 0.00 N ATOM 80 CA HIS A 6 1.719 31.860 -12.964 1.00 0.00 C ATOM 81 C HIS A 6 1.684 31.100 -14.304 1.00 0.00 C ATOM 82 O HIS A 6 2.116 31.610 -15.342 1.00 0.00 O ATOM 83 CB HIS A 6 0.400 32.606 -12.698 1.00 0.00 C ATOM 84 CG HIS A 6 0.064 33.674 -13.717 1.00 0.00 C ATOM 85 ND1 HIS A 6 0.524 34.997 -13.693 1.00 0.00 N ATOM 86 CD2 HIS A 6 -0.743 33.508 -14.803 1.00 0.00 C ATOM 87 CE1 HIS A 6 -0.015 35.593 -14.771 1.00 0.00 C ATOM 88 NE2 HIS A 6 -0.779 34.723 -15.455 1.00 0.00 N ATOM 0 H HIS A 6 3.010 33.296 -13.766 1.00 0.00 H new ATOM 0 HA HIS A 6 1.854 31.104 -12.190 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -0.413 31.881 -12.670 1.00 0.00 H new ATOM 0 HB3 HIS A 6 0.451 33.067 -11.711 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -1.254 32.603 -15.096 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.143 36.625 -15.048 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -1.297 34.927 -16.310 1.00 0.00 H new ATOM 96 N HIS A 7 1.172 29.864 -14.268 1.00 0.00 N ATOM 97 CA HIS A 7 1.080 28.934 -15.406 1.00 0.00 C ATOM 98 C HIS A 7 -0.069 27.924 -15.188 1.00 0.00 C ATOM 99 O HIS A 7 -0.861 28.085 -14.255 1.00 0.00 O ATOM 100 CB HIS A 7 2.455 28.240 -15.557 1.00 0.00 C ATOM 101 CG HIS A 7 2.682 27.504 -16.860 1.00 0.00 C ATOM 102 ND1 HIS A 7 1.946 27.670 -18.040 1.00 0.00 N ATOM 103 CD2 HIS A 7 3.641 26.559 -17.074 1.00 0.00 C ATOM 104 CE1 HIS A 7 2.481 26.821 -18.933 1.00 0.00 C ATOM 105 NE2 HIS A 7 3.499 26.141 -18.379 1.00 0.00 N ATOM 0 H HIS A 7 0.793 29.465 -13.409 1.00 0.00 H new ATOM 0 HA HIS A 7 0.846 29.466 -16.328 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.235 28.993 -15.446 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.576 27.533 -14.736 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.370 26.207 -16.359 1.00 0.00 H new ATOM 0 HE1 HIS A 7 2.141 26.702 -19.951 1.00 0.00 H new ATOM 0 HE2 HIS A 7 4.069 25.436 -18.845 1.00 0.00 H new ATOM 113 N HIS A 8 -0.139 26.871 -16.006 1.00 0.00 N ATOM 114 CA HIS A 8 -1.010 25.693 -15.856 1.00 0.00 C ATOM 115 C HIS A 8 -2.510 26.025 -15.776 1.00 0.00 C ATOM 116 O HIS A 8 -3.132 25.957 -14.717 1.00 0.00 O ATOM 117 CB HIS A 8 -0.521 24.813 -14.690 1.00 0.00 C ATOM 118 CG HIS A 8 0.919 24.372 -14.821 1.00 0.00 C ATOM 119 ND1 HIS A 8 1.444 23.590 -15.857 1.00 0.00 N ATOM 120 CD2 HIS A 8 1.922 24.681 -13.948 1.00 0.00 C ATOM 121 CE1 HIS A 8 2.753 23.449 -15.582 1.00 0.00 C ATOM 122 NE2 HIS A 8 3.066 24.092 -14.443 1.00 0.00 N ATOM 0 H HIS A 8 0.443 26.810 -16.841 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.924 25.115 -16.776 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.639 25.364 -13.757 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.157 23.930 -14.622 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.836 25.271 -13.047 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.454 22.897 -16.190 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.992 24.136 -14.018 1.00 0.00 H new ATOM 130 N HIS A 9 -3.111 26.366 -16.917 1.00 0.00 N ATOM 131 CA HIS A 9 -4.546 26.679 -17.068 1.00 0.00 C ATOM 132 C HIS A 9 -5.441 25.417 -17.098 1.00 0.00 C ATOM 133 O HIS A 9 -6.376 25.311 -17.898 1.00 0.00 O ATOM 134 CB HIS A 9 -4.734 27.589 -18.296 1.00 0.00 C ATOM 135 CG HIS A 9 -3.894 28.846 -18.251 1.00 0.00 C ATOM 136 ND1 HIS A 9 -2.625 29.001 -18.821 1.00 0.00 N ATOM 137 CD2 HIS A 9 -4.245 30.010 -17.631 1.00 0.00 C ATOM 138 CE1 HIS A 9 -2.243 30.258 -18.534 1.00 0.00 C ATOM 139 NE2 HIS A 9 -3.196 30.886 -17.821 1.00 0.00 N ATOM 0 H HIS A 9 -2.600 26.436 -17.797 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.882 27.220 -16.183 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.485 27.027 -19.196 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.785 27.867 -18.375 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.163 30.207 -17.097 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.304 30.701 -18.833 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.151 31.846 -17.479 1.00 0.00 H new ATOM 147 N HIS A 10 -5.127 24.436 -16.249 1.00 0.00 N ATOM 148 CA HIS A 10 -5.706 23.082 -16.221 1.00 0.00 C ATOM 149 C HIS A 10 -6.739 22.888 -15.097 1.00 0.00 C ATOM 150 O HIS A 10 -6.787 23.659 -14.133 1.00 0.00 O ATOM 151 CB HIS A 10 -4.562 22.059 -16.100 1.00 0.00 C ATOM 152 CG HIS A 10 -3.566 22.123 -17.234 1.00 0.00 C ATOM 153 ND1 HIS A 10 -2.351 22.816 -17.214 1.00 0.00 N ATOM 154 CD2 HIS A 10 -3.707 21.518 -18.449 1.00 0.00 C ATOM 155 CE1 HIS A 10 -1.785 22.604 -18.415 1.00 0.00 C ATOM 156 NE2 HIS A 10 -2.578 21.831 -19.177 1.00 0.00 N ATOM 0 H HIS A 10 -4.424 24.567 -15.521 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.254 22.930 -17.151 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.038 22.223 -15.158 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.987 21.056 -16.058 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.539 20.913 -18.776 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.828 22.999 -18.724 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.379 21.528 -20.130 1.00 0.00 H new ATOM 164 N GLY A 11 -7.550 21.830 -15.204 1.00 0.00 N ATOM 165 CA GLY A 11 -8.530 21.427 -14.188 1.00 0.00 C ATOM 166 C GLY A 11 -9.234 20.099 -14.504 1.00 0.00 C ATOM 167 O GLY A 11 -9.060 19.542 -15.593 1.00 0.00 O ATOM 0 H GLY A 11 -7.544 21.215 -16.018 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.028 21.342 -13.224 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.280 22.211 -14.088 1.00 0.00 H new ATOM 171 N SER A 12 -10.025 19.593 -13.556 1.00 0.00 N ATOM 172 CA SER A 12 -10.713 18.291 -13.643 1.00 0.00 C ATOM 173 C SER A 12 -12.087 18.254 -12.952 1.00 0.00 C ATOM 174 O SER A 12 -12.403 19.069 -12.078 1.00 0.00 O ATOM 175 CB SER A 12 -9.817 17.178 -13.078 1.00 0.00 C ATOM 176 OG SER A 12 -9.522 17.385 -11.703 1.00 0.00 O ATOM 0 H SER A 12 -10.214 20.085 -12.682 1.00 0.00 H new ATOM 0 HA SER A 12 -10.902 18.128 -14.704 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.312 16.215 -13.203 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.888 17.135 -13.647 1.00 0.00 H new ATOM 0 HG SER A 12 -8.559 17.282 -11.556 1.00 0.00 H new ATOM 182 N GLY A 58 -12.927 17.293 -13.361 1.00 0.00 N ATOM 183 CA GLY A 58 -14.215 16.990 -12.720 1.00 0.00 C ATOM 184 C GLY A 58 -14.082 16.146 -11.445 1.00 0.00 C ATOM 185 O GLY A 58 -13.010 15.628 -11.121 1.00 0.00 O ATOM 0 H GLY A 58 -12.727 16.693 -14.161 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.719 17.925 -12.476 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.850 16.462 -13.431 1.00 0.00 H new ATOM 189 N ALA A 59 -15.196 15.954 -10.731 1.00 0.00 N ATOM 190 CA ALA A 59 -15.281 15.198 -9.475 1.00 0.00 C ATOM 191 C ALA A 59 -15.302 13.663 -9.691 1.00 0.00 C ATOM 192 O ALA A 59 -16.208 12.961 -9.234 1.00 0.00 O ATOM 193 CB ALA A 59 -16.478 15.738 -8.675 1.00 0.00 C ATOM 0 H ALA A 59 -16.097 16.334 -11.022 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.375 15.351 -8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.564 15.192 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.328 16.797 -8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -17.392 15.608 -9.255 1.00 0.00 H new ATOM 199 N LEU A 60 -14.309 13.135 -10.421 1.00 0.00 N ATOM 200 CA LEU A 60 -14.243 11.718 -10.832 1.00 0.00 C ATOM 201 C LEU A 60 -13.847 10.763 -9.686 1.00 0.00 C ATOM 202 O LEU A 60 -14.153 9.570 -9.741 1.00 0.00 O ATOM 203 CB LEU A 60 -13.248 11.546 -11.999 1.00 0.00 C ATOM 204 CG LEU A 60 -13.406 12.497 -13.199 1.00 0.00 C ATOM 205 CD1 LEU A 60 -12.351 12.157 -14.250 1.00 0.00 C ATOM 206 CD2 LEU A 60 -14.791 12.411 -13.842 1.00 0.00 C ATOM 0 H LEU A 60 -13.516 13.685 -10.749 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.252 11.448 -11.144 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.239 11.664 -11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.329 10.523 -12.365 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.279 13.513 -12.826 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.458 12.827 -15.103 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.357 12.274 -13.819 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.485 11.127 -14.580 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.846 13.103 -14.683 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.965 11.395 -14.196 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.551 12.674 -13.106 1.00 0.00 H new ATOM 218 N ALA A 61 -13.141 11.271 -8.669 1.00 0.00 N ATOM 219 CA ALA A 61 -12.601 10.469 -7.570 1.00 0.00 C ATOM 220 C ALA A 61 -13.680 9.868 -6.653 1.00 0.00 C ATOM 221 O ALA A 61 -14.685 10.517 -6.348 1.00 0.00 O ATOM 222 CB ALA A 61 -11.646 11.329 -6.737 1.00 0.00 C ATOM 0 H ALA A 61 -12.927 12.265 -8.587 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.078 9.628 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.242 10.735 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.829 11.680 -7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.186 12.185 -6.332 1.00 0.00 H new ATOM 228 N ALA A 62 -13.411 8.664 -6.141 1.00 0.00 N ATOM 229 CA ALA A 62 -14.204 7.981 -5.123 1.00 0.00 C ATOM 230 C ALA A 62 -13.448 7.714 -3.813 1.00 0.00 C ATOM 231 O ALA A 62 -12.223 7.581 -3.796 1.00 0.00 O ATOM 232 CB ALA A 62 -14.772 6.685 -5.717 1.00 0.00 C ATOM 0 H ALA A 62 -12.602 8.119 -6.438 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.015 8.652 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.366 6.169 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.402 6.923 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.952 6.041 -6.037 1.00 0.00 H new ATOM 238 N LEU A 63 -14.203 7.610 -2.713 1.00 0.00 N ATOM 239 CA LEU A 63 -13.704 7.381 -1.352 1.00 0.00 C ATOM 240 C LEU A 63 -14.311 6.114 -0.727 1.00 0.00 C ATOM 241 O LEU A 63 -15.469 5.772 -0.984 1.00 0.00 O ATOM 242 CB LEU A 63 -14.022 8.597 -0.457 1.00 0.00 C ATOM 243 CG LEU A 63 -13.503 9.963 -0.942 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.932 11.055 0.037 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.982 9.996 -1.050 1.00 0.00 C ATOM 0 H LEU A 63 -15.220 7.686 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.625 7.243 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.104 8.664 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.610 8.408 0.534 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.927 10.132 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.563 12.020 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.020 11.083 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.520 10.842 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.663 10.979 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.543 9.795 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.651 9.237 -1.759 1.00 0.00 H new ATOM 257 N HIS A 64 -13.554 5.464 0.158 1.00 0.00 N ATOM 258 CA HIS A 64 -14.072 4.466 1.102 1.00 0.00 C ATOM 259 C HIS A 64 -14.959 5.144 2.161 1.00 0.00 C ATOM 260 O HIS A 64 -14.633 6.233 2.638 1.00 0.00 O ATOM 261 CB HIS A 64 -12.899 3.753 1.783 1.00 0.00 C ATOM 262 CG HIS A 64 -12.094 2.842 0.894 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.542 1.629 0.365 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.778 3.010 0.570 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.483 1.097 -0.267 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.412 1.903 -0.166 1.00 0.00 N ATOM 0 H HIS A 64 -12.549 5.616 0.242 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.674 3.738 0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.232 4.506 2.202 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.286 3.169 2.618 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.148 3.845 0.838 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.491 0.150 -0.786 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.490 1.727 -0.564 1.00 0.00 H new ATOM 274 N ALA A 65 -16.060 4.498 2.559 1.00 0.00 N ATOM 275 CA ALA A 65 -17.070 5.090 3.448 1.00 0.00 C ATOM 276 C ALA A 65 -17.007 4.609 4.916 1.00 0.00 C ATOM 277 O ALA A 65 -17.579 5.259 5.794 1.00 0.00 O ATOM 278 CB ALA A 65 -18.446 4.821 2.827 1.00 0.00 C ATOM 0 H ALA A 65 -16.278 3.544 2.273 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.866 6.158 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.222 5.248 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.495 5.278 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.601 3.746 2.738 1.00 0.00 H new ATOM 284 N GLU A 66 -16.337 3.484 5.196 1.00 0.00 N ATOM 285 CA GLU A 66 -16.359 2.797 6.503 1.00 0.00 C ATOM 286 C GLU A 66 -14.976 2.264 6.929 1.00 0.00 C ATOM 287 O GLU A 66 -14.079 2.071 6.100 1.00 0.00 O ATOM 288 CB GLU A 66 -17.375 1.636 6.467 1.00 0.00 C ATOM 289 CG GLU A 66 -18.827 2.095 6.276 1.00 0.00 C ATOM 290 CD GLU A 66 -19.798 0.904 6.389 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.094 0.251 5.358 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.283 0.613 7.512 1.00 0.00 O ATOM 0 H GLU A 66 -15.750 3.012 4.508 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.656 3.539 7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.108 0.956 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.301 1.071 7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.077 2.846 7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.938 2.569 5.301 1.00 0.00 H new ATOM 299 N GLY A 67 -14.808 2.004 8.232 1.00 0.00 N ATOM 300 CA GLY A 67 -13.583 1.439 8.817 1.00 0.00 C ATOM 301 C GLY A 67 -12.383 2.405 8.840 1.00 0.00 C ATOM 302 O GLY A 67 -12.556 3.613 8.639 1.00 0.00 O ATOM 0 H GLY A 67 -15.535 2.184 8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.796 1.120 9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.305 0.547 8.255 1.00 0.00 H new ATOM 306 N PRO A 68 -11.145 1.904 9.047 1.00 0.00 N ATOM 307 CA PRO A 68 -9.928 2.732 9.095 1.00 0.00 C ATOM 308 C PRO A 68 -9.661 3.521 7.799 1.00 0.00 C ATOM 309 O PRO A 68 -8.996 4.558 7.821 1.00 0.00 O ATOM 310 CB PRO A 68 -8.780 1.752 9.370 1.00 0.00 C ATOM 311 CG PRO A 68 -9.321 0.392 8.936 1.00 0.00 C ATOM 312 CD PRO A 68 -10.808 0.500 9.250 1.00 0.00 C ATOM 0 HA PRO A 68 -10.034 3.496 9.865 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.886 2.021 8.807 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.504 1.751 10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.144 0.207 7.876 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.851 -0.424 9.485 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.396 -0.144 8.596 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.017 0.190 10.274 1.00 0.00 H new ATOM 320 N LEU A 69 -10.195 3.035 6.675 1.00 0.00 N ATOM 321 CA LEU A 69 -10.088 3.640 5.345 1.00 0.00 C ATOM 322 C LEU A 69 -11.145 4.733 5.076 1.00 0.00 C ATOM 323 O LEU A 69 -11.057 5.406 4.048 1.00 0.00 O ATOM 324 CB LEU A 69 -10.114 2.492 4.311 1.00 0.00 C ATOM 325 CG LEU A 69 -8.734 2.061 3.775 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.702 1.807 4.875 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.861 0.762 2.981 1.00 0.00 C ATOM 0 H LEU A 69 -10.737 2.171 6.667 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.147 4.184 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.596 1.626 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.734 2.797 3.468 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.392 2.892 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.756 1.508 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.556 2.719 5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.058 1.013 5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.881 0.467 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.254 -0.023 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.539 0.914 2.141 1.00 0.00 H new ATOM 339 N ALA A 70 -12.115 4.953 5.972 1.00 0.00 N ATOM 340 CA ALA A 70 -13.164 5.959 5.782 1.00 0.00 C ATOM 341 C ALA A 70 -12.585 7.351 5.450 1.00 0.00 C ATOM 342 O ALA A 70 -11.741 7.880 6.181 1.00 0.00 O ATOM 343 CB ALA A 70 -14.056 6.013 7.028 1.00 0.00 C ATOM 0 H ALA A 70 -12.194 4.438 6.849 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.766 5.663 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.835 6.761 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.515 5.038 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.453 6.278 7.896 1.00 0.00 H new ATOM 349 N GLY A 71 -13.047 7.943 4.344 1.00 0.00 N ATOM 350 CA GLY A 71 -12.582 9.239 3.840 1.00 0.00 C ATOM 351 C GLY A 71 -11.397 9.197 2.874 1.00 0.00 C ATOM 352 O GLY A 71 -10.973 10.257 2.414 1.00 0.00 O ATOM 0 H GLY A 71 -13.772 7.524 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.416 9.732 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.309 9.861 4.692 1.00 0.00 H new ATOM 356 N LEU A 72 -10.850 8.015 2.568 1.00 0.00 N ATOM 357 CA LEU A 72 -9.632 7.859 1.763 1.00 0.00 C ATOM 358 C LEU A 72 -9.928 7.296 0.347 1.00 0.00 C ATOM 359 O LEU A 72 -10.917 6.581 0.190 1.00 0.00 O ATOM 360 CB LEU A 72 -8.651 6.974 2.552 1.00 0.00 C ATOM 361 CG LEU A 72 -8.336 7.380 4.007 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.227 6.469 4.533 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.870 8.831 4.140 1.00 0.00 C ATOM 0 H LEU A 72 -11.246 7.127 2.877 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.182 8.836 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.049 5.959 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.711 6.940 2.001 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.259 7.280 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.990 6.741 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.561 5.432 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.338 6.583 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.665 9.053 5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.963 8.977 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.650 9.499 3.774 1.00 0.00 H new ATOM 375 N PRO A 73 -9.099 7.586 -0.683 1.00 0.00 N ATOM 376 CA PRO A 73 -9.301 7.126 -2.070 1.00 0.00 C ATOM 377 C PRO A 73 -9.391 5.602 -2.194 1.00 0.00 C ATOM 378 O PRO A 73 -8.678 4.875 -1.502 1.00 0.00 O ATOM 379 CB PRO A 73 -8.120 7.681 -2.881 1.00 0.00 C ATOM 380 CG PRO A 73 -7.055 7.981 -1.828 1.00 0.00 C ATOM 381 CD PRO A 73 -7.868 8.361 -0.599 1.00 0.00 C ATOM 0 HA PRO A 73 -10.258 7.490 -2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.764 6.957 -3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.401 8.579 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.422 7.114 -1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.398 8.792 -2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.323 8.132 0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.079 9.430 -0.585 1.00 0.00 H new ATOM 389 N VAL A 74 -10.233 5.109 -3.105 1.00 0.00 N ATOM 390 CA VAL A 74 -10.397 3.662 -3.344 1.00 0.00 C ATOM 391 C VAL A 74 -9.278 3.108 -4.236 1.00 0.00 C ATOM 392 O VAL A 74 -8.786 2.006 -3.989 1.00 0.00 O ATOM 393 CB VAL A 74 -11.802 3.338 -3.897 1.00 0.00 C ATOM 394 CG1 VAL A 74 -12.029 1.831 -4.042 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.899 3.857 -2.959 1.00 0.00 C ATOM 0 H VAL A 74 -10.821 5.694 -3.699 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.311 3.155 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.854 3.824 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.030 1.650 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.290 1.416 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.929 1.353 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.877 3.615 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.793 3.388 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.807 4.938 -2.855 1.00 0.00 H new ATOM 405 N THR A 75 -8.833 3.877 -5.234 1.00 0.00 N ATOM 406 CA THR A 75 -7.741 3.524 -6.163 1.00 0.00 C ATOM 407 C THR A 75 -6.803 4.704 -6.471 1.00 0.00 C ATOM 408 O THR A 75 -7.089 5.859 -6.140 1.00 0.00 O ATOM 409 CB THR A 75 -8.304 2.836 -7.420 1.00 0.00 C ATOM 410 OG1 THR A 75 -7.264 2.479 -8.306 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.286 3.733 -8.153 1.00 0.00 C ATOM 0 H THR A 75 -9.233 4.795 -5.429 1.00 0.00 H new ATOM 0 HA THR A 75 -7.099 2.800 -5.661 1.00 0.00 H new ATOM 0 HB THR A 75 -8.825 1.939 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.644 2.042 -9.097 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.663 3.215 -9.035 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.118 3.978 -7.493 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.783 4.650 -8.458 1.00 0.00 H new ATOM 419 N ARG A 76 -5.659 4.425 -7.118 1.00 0.00 N ATOM 420 CA ARG A 76 -4.627 5.422 -7.473 1.00 0.00 C ATOM 421 C ARG A 76 -5.203 6.535 -8.353 1.00 0.00 C ATOM 422 O ARG A 76 -4.864 7.695 -8.151 1.00 0.00 O ATOM 423 CB ARG A 76 -3.420 4.757 -8.175 1.00 0.00 C ATOM 424 CG ARG A 76 -2.560 3.829 -7.294 1.00 0.00 C ATOM 425 CD ARG A 76 -3.021 2.363 -7.278 1.00 0.00 C ATOM 426 NE ARG A 76 -2.066 1.510 -6.537 1.00 0.00 N ATOM 427 CZ ARG A 76 -1.044 0.821 -7.014 1.00 0.00 C ATOM 428 NH1 ARG A 76 -0.716 0.819 -8.275 1.00 0.00 N ATOM 429 NH2 ARG A 76 -0.321 0.118 -6.198 1.00 0.00 N ATOM 0 H ARG A 76 -5.418 3.480 -7.417 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.280 5.868 -6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.789 4.182 -9.024 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.779 5.542 -8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.528 3.869 -7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.565 4.210 -6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.007 2.294 -6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.120 1.999 -8.301 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.215 1.445 -5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.258 1.366 -8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.082 0.270 -8.593 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.544 0.102 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.471 -0.419 -6.551 1.00 0.00 H new ATOM 443 N SER A 77 -6.148 6.207 -9.233 1.00 0.00 N ATOM 444 CA SER A 77 -6.893 7.180 -10.052 1.00 0.00 C ATOM 445 C SER A 77 -7.696 8.172 -9.200 1.00 0.00 C ATOM 446 O SER A 77 -7.682 9.371 -9.474 1.00 0.00 O ATOM 447 CB SER A 77 -7.838 6.444 -11.014 1.00 0.00 C ATOM 448 OG SER A 77 -7.103 5.516 -11.801 1.00 0.00 O ATOM 0 H SER A 77 -6.427 5.241 -9.405 1.00 0.00 H new ATOM 0 HA SER A 77 -6.157 7.753 -10.616 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.611 5.923 -10.450 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.344 7.161 -11.660 1.00 0.00 H new ATOM 0 HG SER A 77 -7.712 5.049 -12.411 1.00 0.00 H new ATOM 454 N ASP A 78 -8.325 7.709 -8.110 1.00 0.00 N ATOM 455 CA ASP A 78 -9.007 8.601 -7.164 1.00 0.00 C ATOM 456 C ASP A 78 -7.988 9.474 -6.444 1.00 0.00 C ATOM 457 O ASP A 78 -8.162 10.682 -6.400 1.00 0.00 O ATOM 458 CB ASP A 78 -9.833 7.843 -6.116 1.00 0.00 C ATOM 459 CG ASP A 78 -10.797 6.814 -6.699 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.528 7.145 -7.661 1.00 0.00 O ATOM 461 OD2 ASP A 78 -10.835 5.701 -6.140 1.00 0.00 O ATOM 0 H ASP A 78 -8.375 6.721 -7.862 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.693 9.210 -7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.153 7.338 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.401 8.564 -5.528 1.00 0.00 H new ATOM 466 N ALA A 79 -6.892 8.898 -5.936 1.00 0.00 N ATOM 467 CA ALA A 79 -5.851 9.666 -5.243 1.00 0.00 C ATOM 468 C ALA A 79 -5.227 10.763 -6.140 1.00 0.00 C ATOM 469 O ALA A 79 -5.087 11.910 -5.716 1.00 0.00 O ATOM 470 CB ALA A 79 -4.807 8.672 -4.719 1.00 0.00 C ATOM 0 H ALA A 79 -6.703 7.897 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.291 10.211 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.018 9.214 -4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.283 7.973 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.377 8.121 -5.556 1.00 0.00 H new ATOM 476 N ARG A 80 -4.953 10.437 -7.410 1.00 0.00 N ATOM 477 CA ARG A 80 -4.498 11.362 -8.465 1.00 0.00 C ATOM 478 C ARG A 80 -5.502 12.492 -8.698 1.00 0.00 C ATOM 479 O ARG A 80 -5.109 13.654 -8.677 1.00 0.00 O ATOM 480 CB ARG A 80 -4.199 10.513 -9.720 1.00 0.00 C ATOM 481 CG ARG A 80 -3.613 11.264 -10.930 1.00 0.00 C ATOM 482 CD ARG A 80 -4.670 11.841 -11.887 1.00 0.00 C ATOM 483 NE ARG A 80 -4.037 12.346 -13.123 1.00 0.00 N ATOM 484 CZ ARG A 80 -4.644 12.834 -14.195 1.00 0.00 C ATOM 485 NH1 ARG A 80 -5.941 12.919 -14.282 1.00 0.00 N ATOM 486 NH2 ARG A 80 -3.949 13.250 -15.213 1.00 0.00 N ATOM 0 H ARG A 80 -5.046 9.479 -7.749 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.586 11.880 -8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.504 9.722 -9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.124 10.029 -10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.984 12.077 -10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.967 10.585 -11.487 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.401 11.072 -12.135 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.212 12.648 -11.394 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.018 12.316 -13.155 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.526 12.604 -13.508 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.372 13.301 -15.124 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.930 13.202 -15.189 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.423 13.625 -16.035 1.00 0.00 H new ATOM 500 N VAL A 81 -6.791 12.182 -8.860 1.00 0.00 N ATOM 501 CA VAL A 81 -7.839 13.208 -9.061 1.00 0.00 C ATOM 502 C VAL A 81 -8.101 14.032 -7.791 1.00 0.00 C ATOM 503 O VAL A 81 -8.300 15.238 -7.903 1.00 0.00 O ATOM 504 CB VAL A 81 -9.126 12.583 -9.641 1.00 0.00 C ATOM 505 CG1 VAL A 81 -10.310 13.559 -9.662 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.896 12.133 -11.089 1.00 0.00 C ATOM 0 H VAL A 81 -7.144 11.225 -8.857 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.466 13.916 -9.801 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.364 11.744 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.185 13.061 -10.080 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.530 13.886 -8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.057 14.424 -10.275 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.813 11.695 -11.484 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.614 12.993 -11.697 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.098 11.391 -11.117 1.00 0.00 H new ATOM 516 N LEU A 82 -8.028 13.450 -6.586 1.00 0.00 N ATOM 517 CA LEU A 82 -8.140 14.201 -5.325 1.00 0.00 C ATOM 518 C LEU A 82 -7.004 15.227 -5.194 1.00 0.00 C ATOM 519 O LEU A 82 -7.282 16.399 -4.956 1.00 0.00 O ATOM 520 CB LEU A 82 -8.153 13.238 -4.121 1.00 0.00 C ATOM 521 CG LEU A 82 -9.426 12.383 -3.960 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.181 11.337 -2.877 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.658 13.203 -3.576 1.00 0.00 C ATOM 0 H LEU A 82 -7.890 12.448 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.083 14.747 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.297 12.569 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.013 13.822 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.630 11.925 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.075 10.725 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.344 10.702 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.949 11.835 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.519 12.542 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.478 13.707 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.856 13.946 -4.349 1.00 0.00 H new ATOM 535 N ILE A 83 -5.743 14.827 -5.422 1.00 0.00 N ATOM 536 CA ILE A 83 -4.595 15.757 -5.396 1.00 0.00 C ATOM 537 C ILE A 83 -4.725 16.820 -6.496 1.00 0.00 C ATOM 538 O ILE A 83 -4.463 17.997 -6.243 1.00 0.00 O ATOM 539 CB ILE A 83 -3.250 14.999 -5.504 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.024 14.108 -4.257 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.086 16.004 -5.660 1.00 0.00 C ATOM 542 CD1 ILE A 83 -1.923 13.055 -4.437 1.00 0.00 C ATOM 0 H ILE A 83 -5.488 13.861 -5.628 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.604 16.268 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.284 14.357 -6.384 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.770 14.744 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.958 13.604 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.144 15.461 -5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.236 16.597 -6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.056 16.664 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.825 12.471 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.184 12.393 -5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.977 13.551 -4.654 1.00 0.00 H new ATOM 554 N PHE A 84 -5.163 16.434 -7.700 1.00 0.00 N ATOM 555 CA PHE A 84 -5.394 17.371 -8.802 1.00 0.00 C ATOM 556 C PHE A 84 -6.450 18.424 -8.418 1.00 0.00 C ATOM 557 O PHE A 84 -6.155 19.616 -8.443 1.00 0.00 O ATOM 558 CB PHE A 84 -5.768 16.576 -10.067 1.00 0.00 C ATOM 559 CG PHE A 84 -5.844 17.320 -11.394 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.644 18.711 -11.497 1.00 0.00 C ATOM 561 CD2 PHE A 84 -6.124 16.586 -12.563 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.764 19.365 -12.727 1.00 0.00 C ATOM 563 CE2 PHE A 84 -6.216 17.237 -13.808 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.046 18.631 -13.890 1.00 0.00 C ATOM 0 H PHE A 84 -5.367 15.463 -7.936 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.482 17.929 -9.015 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.043 15.770 -10.179 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.738 16.110 -9.892 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.395 19.280 -10.614 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.269 15.517 -12.504 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.640 20.436 -12.782 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.417 16.665 -14.702 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.132 19.134 -14.842 1.00 0.00 H new ATOM 574 N ASN A 85 -7.652 18.025 -7.993 1.00 0.00 N ATOM 575 CA ASN A 85 -8.696 18.985 -7.634 1.00 0.00 C ATOM 576 C ASN A 85 -8.324 19.836 -6.397 1.00 0.00 C ATOM 577 O ASN A 85 -8.643 21.023 -6.347 1.00 0.00 O ATOM 578 CB ASN A 85 -10.015 18.228 -7.419 1.00 0.00 C ATOM 579 CG ASN A 85 -11.116 19.179 -6.964 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.761 19.846 -7.758 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.335 19.300 -5.672 1.00 0.00 N ATOM 0 H ASN A 85 -7.924 17.047 -7.890 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.809 19.693 -8.455 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.313 17.736 -8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.873 17.445 -6.674 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.044 19.951 -5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.796 18.743 -5.009 1.00 0.00 H new ATOM 588 N GLU A 86 -7.631 19.249 -5.413 1.00 0.00 N ATOM 589 CA GLU A 86 -7.074 19.963 -4.254 1.00 0.00 C ATOM 590 C GLU A 86 -6.134 21.094 -4.705 1.00 0.00 C ATOM 591 O GLU A 86 -6.387 22.263 -4.390 1.00 0.00 O ATOM 592 CB GLU A 86 -6.354 18.949 -3.345 1.00 0.00 C ATOM 593 CG GLU A 86 -5.674 19.548 -2.111 1.00 0.00 C ATOM 594 CD GLU A 86 -4.913 18.440 -1.357 1.00 0.00 C ATOM 595 OE1 GLU A 86 -5.525 17.695 -0.556 1.00 0.00 O ATOM 596 OE2 GLU A 86 -3.689 18.272 -1.568 1.00 0.00 O ATOM 0 H GLU A 86 -7.438 18.248 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.879 20.433 -3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.077 18.203 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.603 18.425 -3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.986 20.339 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.418 20.003 -1.457 1.00 0.00 H new ATOM 603 N TRP A 87 -5.111 20.770 -5.510 1.00 0.00 N ATOM 604 CA TRP A 87 -4.279 21.763 -6.180 1.00 0.00 C ATOM 605 C TRP A 87 -5.121 22.781 -6.951 1.00 0.00 C ATOM 606 O TRP A 87 -4.835 23.964 -6.851 1.00 0.00 O ATOM 607 CB TRP A 87 -3.296 21.079 -7.137 1.00 0.00 C ATOM 608 CG TRP A 87 -2.613 22.021 -8.082 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.486 22.713 -7.809 1.00 0.00 C ATOM 610 CD2 TRP A 87 -3.044 22.470 -9.412 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.176 23.537 -8.872 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.090 23.416 -9.893 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.152 22.205 -10.250 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.203 24.037 -11.142 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.297 22.849 -11.493 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.323 23.756 -11.941 1.00 0.00 C ATOM 0 H TRP A 87 -4.842 19.807 -5.711 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.725 22.296 -5.407 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.540 20.555 -6.552 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.831 20.325 -7.714 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -0.914 22.634 -6.897 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.368 24.159 -8.897 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.901 21.495 -9.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.441 24.721 -11.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -5.162 22.644 -12.106 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.435 24.238 -12.901 1.00 0.00 H new ATOM 627 N GLU A 88 -6.155 22.365 -7.683 1.00 0.00 N ATOM 628 CA GLU A 88 -6.928 23.254 -8.552 1.00 0.00 C ATOM 629 C GLU A 88 -7.673 24.337 -7.759 1.00 0.00 C ATOM 630 O GLU A 88 -7.580 25.519 -8.088 1.00 0.00 O ATOM 631 CB GLU A 88 -7.911 22.433 -9.402 1.00 0.00 C ATOM 632 CG GLU A 88 -8.292 23.177 -10.683 1.00 0.00 C ATOM 633 CD GLU A 88 -9.688 22.757 -11.189 1.00 0.00 C ATOM 634 OE1 GLU A 88 -9.939 21.541 -11.368 1.00 0.00 O ATOM 635 OE2 GLU A 88 -10.541 23.650 -11.421 1.00 0.00 O ATOM 0 H GLU A 88 -6.481 21.399 -7.690 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.225 23.767 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.462 21.473 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.809 22.221 -8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.279 24.251 -10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.549 22.977 -11.455 1.00 0.00 H new ATOM 642 N GLU A 89 -8.361 23.970 -6.676 1.00 0.00 N ATOM 643 CA GLU A 89 -9.059 24.927 -5.809 1.00 0.00 C ATOM 644 C GLU A 89 -8.072 25.830 -5.046 1.00 0.00 C ATOM 645 O GLU A 89 -8.267 27.052 -4.987 1.00 0.00 O ATOM 646 CB GLU A 89 -10.006 24.185 -4.850 1.00 0.00 C ATOM 647 CG GLU A 89 -11.203 23.568 -5.593 1.00 0.00 C ATOM 648 CD GLU A 89 -12.220 22.936 -4.620 1.00 0.00 C ATOM 649 OE1 GLU A 89 -12.886 23.686 -3.864 1.00 0.00 O ATOM 650 OE2 GLU A 89 -12.384 21.691 -4.618 1.00 0.00 O ATOM 0 H GLU A 89 -8.451 23.000 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.658 25.583 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.456 23.400 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.368 24.877 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.698 24.337 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.846 22.809 -6.289 1.00 0.00 H new ATOM 657 N ARG A 90 -6.960 25.269 -4.539 1.00 0.00 N ATOM 658 CA ARG A 90 -5.878 26.066 -3.925 1.00 0.00 C ATOM 659 C ARG A 90 -5.308 27.076 -4.918 1.00 0.00 C ATOM 660 O ARG A 90 -5.254 28.258 -4.619 1.00 0.00 O ATOM 661 CB ARG A 90 -4.747 25.152 -3.450 1.00 0.00 C ATOM 662 CG ARG A 90 -5.133 24.204 -2.317 1.00 0.00 C ATOM 663 CD ARG A 90 -5.037 24.850 -0.931 1.00 0.00 C ATOM 664 NE ARG A 90 -5.388 23.885 0.133 1.00 0.00 N ATOM 665 CZ ARG A 90 -6.592 23.580 0.590 1.00 0.00 C ATOM 666 NH1 ARG A 90 -7.680 24.124 0.116 1.00 0.00 N ATOM 667 NH2 ARG A 90 -6.729 22.706 1.545 1.00 0.00 N ATOM 0 H ARG A 90 -6.785 24.264 -4.542 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.305 26.600 -3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.394 24.562 -4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.911 25.770 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.152 23.853 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.485 23.328 -2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.025 25.222 -0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.705 25.710 -0.880 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.607 23.394 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.621 24.812 -0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.589 23.861 0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.907 22.253 1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.659 22.474 1.894 1.00 0.00 H new ATOM 681 N LYS A 91 -4.953 26.609 -6.116 1.00 0.00 N ATOM 682 CA LYS A 91 -4.439 27.402 -7.256 1.00 0.00 C ATOM 683 C LYS A 91 -5.412 28.503 -7.698 1.00 0.00 C ATOM 684 O LYS A 91 -4.974 29.620 -7.967 1.00 0.00 O ATOM 685 CB LYS A 91 -4.036 26.447 -8.397 1.00 0.00 C ATOM 686 CG LYS A 91 -3.425 27.116 -9.640 1.00 0.00 C ATOM 687 CD LYS A 91 -4.463 27.475 -10.723 1.00 0.00 C ATOM 688 CE LYS A 91 -3.838 27.507 -12.129 1.00 0.00 C ATOM 689 NZ LYS A 91 -2.823 28.587 -12.298 1.00 0.00 N ATOM 0 H LYS A 91 -5.016 25.616 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.548 27.943 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.319 25.725 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.918 25.886 -8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.903 28.023 -9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.679 26.449 -10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.275 26.748 -10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.901 28.448 -10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.371 26.544 -12.334 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.628 27.642 -12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.157 28.322 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.300 29.475 -12.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.303 28.718 -11.407 1.00 0.00 H new ATOM 703 N LYS A 92 -6.723 28.236 -7.722 1.00 0.00 N ATOM 704 CA LYS A 92 -7.760 29.261 -7.971 1.00 0.00 C ATOM 705 C LYS A 92 -7.810 30.326 -6.863 1.00 0.00 C ATOM 706 O LYS A 92 -8.021 31.501 -7.166 1.00 0.00 O ATOM 707 CB LYS A 92 -9.130 28.589 -8.163 1.00 0.00 C ATOM 708 CG LYS A 92 -9.258 27.945 -9.556 1.00 0.00 C ATOM 709 CD LYS A 92 -10.488 27.030 -9.685 1.00 0.00 C ATOM 710 CE LYS A 92 -11.846 27.717 -9.440 1.00 0.00 C ATOM 711 NZ LYS A 92 -12.192 28.709 -10.501 1.00 0.00 N ATOM 0 H LYS A 92 -7.102 27.302 -7.569 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.493 29.786 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.273 27.828 -7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.920 29.328 -8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -9.316 28.731 -10.309 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.358 27.367 -9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.494 26.595 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.383 26.206 -8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.628 26.959 -9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.825 28.219 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.114 29.140 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.463 29.450 -10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.241 28.229 -11.422 1.00 0.00 H new ATOM 725 N SER A 93 -7.578 29.943 -5.603 1.00 0.00 N ATOM 726 CA SER A 93 -7.488 30.890 -4.474 1.00 0.00 C ATOM 727 C SER A 93 -6.148 31.659 -4.402 1.00 0.00 C ATOM 728 O SER A 93 -6.128 32.855 -4.095 1.00 0.00 O ATOM 729 CB SER A 93 -7.739 30.131 -3.165 1.00 0.00 C ATOM 730 OG SER A 93 -8.057 31.038 -2.120 1.00 0.00 O ATOM 0 H SER A 93 -7.447 28.969 -5.332 1.00 0.00 H new ATOM 0 HA SER A 93 -8.252 31.651 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.555 29.421 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.855 29.553 -2.897 1.00 0.00 H new ATOM 0 HG SER A 93 -8.216 30.540 -1.291 1.00 0.00 H new ATOM 736 N ASP A 94 -5.028 31.001 -4.723 1.00 0.00 N ATOM 737 CA ASP A 94 -3.640 31.459 -4.595 1.00 0.00 C ATOM 738 C ASP A 94 -2.762 30.790 -5.689 1.00 0.00 C ATOM 739 O ASP A 94 -2.458 29.597 -5.597 1.00 0.00 O ATOM 740 CB ASP A 94 -3.098 31.103 -3.198 1.00 0.00 C ATOM 741 CG ASP A 94 -3.624 32.041 -2.099 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.253 33.241 -2.101 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.354 31.573 -1.191 1.00 0.00 O ATOM 0 H ASP A 94 -5.073 30.058 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.608 32.541 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.374 30.077 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.009 31.144 -3.214 1.00 0.00 H new ATOM 748 N PRO A 95 -2.328 31.522 -6.735 1.00 0.00 N ATOM 749 CA PRO A 95 -1.878 30.956 -8.020 1.00 0.00 C ATOM 750 C PRO A 95 -0.494 30.281 -8.038 1.00 0.00 C ATOM 751 O PRO A 95 -0.165 29.599 -9.011 1.00 0.00 O ATOM 752 CB PRO A 95 -1.925 32.136 -9.004 1.00 0.00 C ATOM 753 CG PRO A 95 -1.699 33.342 -8.096 1.00 0.00 C ATOM 754 CD PRO A 95 -2.506 32.956 -6.864 1.00 0.00 C ATOM 0 HA PRO A 95 -2.534 30.124 -8.276 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.153 32.056 -9.769 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.882 32.193 -9.522 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.644 33.488 -7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.058 34.267 -8.547 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.148 33.480 -5.977 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.558 33.214 -6.984 1.00 0.00 H new ATOM 762 N TRP A 96 0.323 30.460 -6.995 1.00 0.00 N ATOM 763 CA TRP A 96 1.713 29.978 -6.930 1.00 0.00 C ATOM 764 C TRP A 96 1.877 28.445 -6.915 1.00 0.00 C ATOM 765 O TRP A 96 2.950 27.947 -7.271 1.00 0.00 O ATOM 766 CB TRP A 96 2.370 30.540 -5.658 1.00 0.00 C ATOM 767 CG TRP A 96 1.912 29.887 -4.384 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.683 30.018 -3.840 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.617 28.921 -3.540 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.579 29.224 -2.714 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.739 28.515 -2.489 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.898 28.330 -3.569 1.00 0.00 C ATOM 773 CZ2 TRP A 96 2.115 27.580 -1.512 1.00 0.00 C ATOM 774 CZ3 TRP A 96 4.287 27.388 -2.595 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.400 27.015 -1.568 1.00 0.00 C ATOM 0 H TRP A 96 0.033 30.955 -6.152 1.00 0.00 H new ATOM 0 HA TRP A 96 2.188 30.327 -7.847 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.451 30.428 -5.742 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.164 31.609 -5.599 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.102 30.650 -4.228 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.251 29.170 -2.124 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.592 28.604 -4.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.427 27.299 -0.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 5.273 26.949 -2.637 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.707 26.295 -0.824 1.00 0.00 H new ATOM 786 N LEU A 97 0.862 27.694 -6.458 1.00 0.00 N ATOM 787 CA LEU A 97 1.016 26.287 -6.084 1.00 0.00 C ATOM 788 C LEU A 97 1.343 25.378 -7.290 1.00 0.00 C ATOM 789 O LEU A 97 0.775 25.547 -8.372 1.00 0.00 O ATOM 790 CB LEU A 97 -0.266 25.830 -5.359 1.00 0.00 C ATOM 791 CG LEU A 97 -0.155 24.466 -4.649 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.808 24.496 -3.460 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.530 24.067 -4.135 1.00 0.00 C ATOM 0 H LEU A 97 -0.087 28.049 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 97 1.872 26.197 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.540 26.586 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.079 25.782 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 97 0.231 23.752 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.847 23.509 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.804 24.774 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.460 25.226 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.464 23.103 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.889 24.820 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.224 23.992 -4.972 1.00 0.00 H new ATOM 805 N ARG A 98 2.200 24.364 -7.092 1.00 0.00 N ATOM 806 CA ARG A 98 2.552 23.339 -8.101 1.00 0.00 C ATOM 807 C ARG A 98 1.860 21.992 -7.819 1.00 0.00 C ATOM 808 O ARG A 98 1.684 21.612 -6.662 1.00 0.00 O ATOM 809 CB ARG A 98 4.088 23.226 -8.179 1.00 0.00 C ATOM 810 CG ARG A 98 4.573 22.415 -9.390 1.00 0.00 C ATOM 811 CD ARG A 98 6.099 22.479 -9.517 1.00 0.00 C ATOM 812 NE ARG A 98 6.570 21.739 -10.706 1.00 0.00 N ATOM 813 CZ ARG A 98 7.770 21.805 -11.256 1.00 0.00 C ATOM 814 NH1 ARG A 98 8.719 22.559 -10.773 1.00 0.00 N ATOM 815 NH2 ARG A 98 8.046 21.107 -12.322 1.00 0.00 N ATOM 0 H ARG A 98 2.683 24.226 -6.204 1.00 0.00 H new ATOM 0 HA ARG A 98 2.181 23.646 -9.079 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.518 24.227 -8.224 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.459 22.761 -7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.256 21.377 -9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.112 22.801 -10.299 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.417 23.519 -9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.559 22.062 -8.621 1.00 0.00 H new ATOM 0 HE ARG A 98 5.899 21.111 -11.149 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.548 23.125 -9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.632 22.583 -11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.334 20.506 -12.736 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.974 21.162 -12.742 1.00 0.00 H new ATOM 829 N LEU A 99 1.457 21.287 -8.882 1.00 0.00 N ATOM 830 CA LEU A 99 0.753 19.997 -8.827 1.00 0.00 C ATOM 831 C LEU A 99 1.775 18.838 -8.921 1.00 0.00 C ATOM 832 O LEU A 99 2.480 18.720 -9.926 1.00 0.00 O ATOM 833 CB LEU A 99 -0.283 19.983 -9.980 1.00 0.00 C ATOM 834 CG LEU A 99 -1.478 19.010 -9.884 1.00 0.00 C ATOM 835 CD1 LEU A 99 -2.208 18.984 -11.226 1.00 0.00 C ATOM 836 CD2 LEU A 99 -1.084 17.593 -9.543 1.00 0.00 C ATOM 0 H LEU A 99 1.616 21.608 -9.837 1.00 0.00 H new ATOM 0 HA LEU A 99 0.225 19.863 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.684 20.992 -10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.252 19.761 -10.904 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.109 19.378 -9.075 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.054 18.299 -11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.568 19.985 -11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.524 18.649 -12.006 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.976 16.969 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.414 17.207 -10.311 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.577 17.578 -8.578 1.00 0.00 H new ATOM 848 N ASP A 100 1.843 17.970 -7.903 1.00 0.00 N ATOM 849 CA ASP A 100 2.709 16.776 -7.878 1.00 0.00 C ATOM 850 C ASP A 100 1.952 15.536 -7.360 1.00 0.00 C ATOM 851 O ASP A 100 1.444 15.535 -6.238 1.00 0.00 O ATOM 852 CB ASP A 100 3.953 17.042 -7.015 1.00 0.00 C ATOM 853 CG ASP A 100 4.927 18.034 -7.675 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.661 17.624 -8.608 1.00 0.00 O ATOM 855 OD2 ASP A 100 4.996 19.208 -7.237 1.00 0.00 O ATOM 0 H ASP A 100 1.287 18.077 -7.054 1.00 0.00 H new ATOM 0 HA ASP A 100 3.021 16.568 -8.901 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.642 17.433 -6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.470 16.101 -6.828 1.00 0.00 H new ATOM 860 N MET A 101 1.865 14.478 -8.180 1.00 0.00 N ATOM 861 CA MET A 101 1.111 13.241 -7.882 1.00 0.00 C ATOM 862 C MET A 101 1.693 12.000 -8.587 1.00 0.00 C ATOM 863 O MET A 101 0.996 11.223 -9.243 1.00 0.00 O ATOM 864 CB MET A 101 -0.414 13.440 -8.077 1.00 0.00 C ATOM 865 CG MET A 101 -0.876 14.401 -9.171 1.00 0.00 C ATOM 866 SD MET A 101 -0.746 13.829 -10.885 1.00 0.00 S ATOM 867 CE MET A 101 -2.084 14.819 -11.612 1.00 0.00 C ATOM 0 H MET A 101 2.325 14.453 -9.090 1.00 0.00 H new ATOM 0 HA MET A 101 1.241 13.025 -6.822 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.855 12.464 -8.281 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.830 13.786 -7.131 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.918 14.656 -8.978 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.300 15.321 -9.077 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.327 14.432 -12.601 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.966 14.763 -10.974 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.763 15.857 -11.698 1.00 0.00 H new ATOM 877 N SER A 102 3.001 11.797 -8.402 1.00 0.00 N ATOM 878 CA SER A 102 3.679 10.521 -8.690 1.00 0.00 C ATOM 879 C SER A 102 3.231 9.420 -7.717 1.00 0.00 C ATOM 880 O SER A 102 2.749 9.703 -6.619 1.00 0.00 O ATOM 881 CB SER A 102 5.204 10.701 -8.615 1.00 0.00 C ATOM 882 OG SER A 102 5.633 11.722 -9.505 1.00 0.00 O ATOM 0 H SER A 102 3.628 12.518 -8.045 1.00 0.00 H new ATOM 0 HA SER A 102 3.403 10.215 -9.699 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.496 10.954 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.699 9.762 -8.865 1.00 0.00 H new ATOM 0 HG SER A 102 6.606 11.823 -9.442 1.00 0.00 H new ATOM 888 N ASP A 103 3.447 8.150 -8.066 1.00 0.00 N ATOM 889 CA ASP A 103 3.060 6.995 -7.236 1.00 0.00 C ATOM 890 C ASP A 103 3.577 7.092 -5.787 1.00 0.00 C ATOM 891 O ASP A 103 2.823 6.843 -4.847 1.00 0.00 O ATOM 892 CB ASP A 103 3.511 5.693 -7.921 1.00 0.00 C ATOM 893 CG ASP A 103 5.042 5.509 -7.960 1.00 0.00 C ATOM 894 OD1 ASP A 103 5.728 6.270 -8.685 1.00 0.00 O ATOM 895 OD2 ASP A 103 5.565 4.591 -7.282 1.00 0.00 O ATOM 0 H ASP A 103 3.900 7.886 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 103 1.973 6.995 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.066 4.846 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.126 5.678 -8.941 1.00 0.00 H new ATOM 900 N LYS A 104 4.805 7.597 -5.589 1.00 0.00 N ATOM 901 CA LYS A 104 5.378 7.878 -4.260 1.00 0.00 C ATOM 902 C LYS A 104 4.577 8.928 -3.477 1.00 0.00 C ATOM 903 O LYS A 104 4.361 8.748 -2.281 1.00 0.00 O ATOM 904 CB LYS A 104 6.850 8.307 -4.399 1.00 0.00 C ATOM 905 CG LYS A 104 7.737 7.190 -4.974 1.00 0.00 C ATOM 906 CD LYS A 104 9.207 7.640 -5.046 1.00 0.00 C ATOM 907 CE LYS A 104 10.114 6.604 -5.729 1.00 0.00 C ATOM 908 NZ LYS A 104 10.302 5.369 -4.915 1.00 0.00 N ATOM 0 H LYS A 104 5.437 7.825 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 104 5.323 6.954 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.910 9.183 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.232 8.604 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.655 6.298 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.386 6.918 -5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.267 8.583 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.574 7.829 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.686 6.335 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.087 7.054 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.922 4.708 -5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.736 5.617 -4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.379 4.920 -4.748 1.00 0.00 H new ATOM 922 N ALA A 105 4.073 9.979 -4.136 1.00 0.00 N ATOM 923 CA ALA A 105 3.193 10.972 -3.514 1.00 0.00 C ATOM 924 C ALA A 105 1.849 10.357 -3.112 1.00 0.00 C ATOM 925 O ALA A 105 1.357 10.626 -2.016 1.00 0.00 O ATOM 926 CB ALA A 105 3.035 12.174 -4.454 1.00 0.00 C ATOM 0 H ALA A 105 4.266 10.164 -5.120 1.00 0.00 H new ATOM 0 HA ALA A 105 3.647 11.325 -2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.381 12.913 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.012 12.620 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.600 11.843 -5.397 1.00 0.00 H new ATOM 932 N ILE A 106 1.291 9.467 -3.942 1.00 0.00 N ATOM 933 CA ILE A 106 0.018 8.793 -3.619 1.00 0.00 C ATOM 934 C ILE A 106 0.197 7.854 -2.430 1.00 0.00 C ATOM 935 O ILE A 106 -0.593 7.916 -1.494 1.00 0.00 O ATOM 936 CB ILE A 106 -0.586 8.093 -4.863 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.352 9.113 -5.728 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.581 6.970 -4.511 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.475 10.219 -6.299 1.00 0.00 C ATOM 0 H ILE A 106 1.695 9.195 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.710 9.547 -3.320 1.00 0.00 H new ATOM 0 HB ILE A 106 0.262 7.659 -5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.837 8.586 -6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.143 9.563 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.965 6.523 -5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.074 6.207 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.409 7.384 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.086 10.896 -6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.010 10.773 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.300 9.781 -6.928 1.00 0.00 H new ATOM 951 N PHE A 107 1.254 7.044 -2.414 1.00 0.00 N ATOM 952 CA PHE A 107 1.483 6.103 -1.309 1.00 0.00 C ATOM 953 C PHE A 107 1.880 6.817 -0.001 1.00 0.00 C ATOM 954 O PHE A 107 1.528 6.349 1.082 1.00 0.00 O ATOM 955 CB PHE A 107 2.500 5.020 -1.698 1.00 0.00 C ATOM 956 CG PHE A 107 2.246 4.301 -3.012 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.932 4.078 -3.466 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.329 3.839 -3.783 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.702 3.449 -4.698 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.099 3.185 -5.007 1.00 0.00 C ATOM 961 CZ PHE A 107 1.785 2.999 -5.470 1.00 0.00 C ATOM 0 H PHE A 107 1.963 7.017 -3.146 1.00 0.00 H new ATOM 0 HA PHE A 107 0.532 5.607 -1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.488 5.479 -1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.530 4.277 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.095 4.394 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.340 3.987 -3.434 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.309 3.311 -5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.933 2.825 -5.592 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.609 2.511 -6.417 1.00 0.00 H new ATOM 971 N ARG A 108 2.553 7.979 -0.077 1.00 0.00 N ATOM 972 CA ARG A 108 2.874 8.820 1.095 1.00 0.00 C ATOM 973 C ARG A 108 1.636 9.518 1.674 1.00 0.00 C ATOM 974 O ARG A 108 1.483 9.561 2.896 1.00 0.00 O ATOM 975 CB ARG A 108 3.990 9.811 0.722 1.00 0.00 C ATOM 976 CG ARG A 108 4.542 10.561 1.944 1.00 0.00 C ATOM 977 CD ARG A 108 5.736 11.444 1.563 1.00 0.00 C ATOM 978 NE ARG A 108 6.344 12.068 2.758 1.00 0.00 N ATOM 979 CZ ARG A 108 6.021 13.215 3.332 1.00 0.00 C ATOM 980 NH1 ARG A 108 5.069 13.983 2.879 1.00 0.00 N ATOM 981 NH2 ARG A 108 6.659 13.617 4.395 1.00 0.00 N ATOM 0 H ARG A 108 2.893 8.365 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 108 3.237 8.175 1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 108 4.802 9.272 0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.606 10.532 0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 108 3.756 11.177 2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 108 4.846 9.844 2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.483 10.845 1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.411 12.220 0.870 1.00 0.00 H new ATOM 0 HE ARG A 108 7.107 11.550 3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 108 4.541 13.706 2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 108 4.852 14.860 3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.409 13.047 4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 108 6.408 14.502 4.836 1.00 0.00 H new ATOM 995 N ARG A 109 0.728 10.019 0.820 1.00 0.00 N ATOM 996 CA ARG A 109 -0.571 10.586 1.239 1.00 0.00 C ATOM 997 C ARG A 109 -1.523 9.511 1.782 1.00 0.00 C ATOM 998 O ARG A 109 -2.199 9.739 2.786 1.00 0.00 O ATOM 999 CB ARG A 109 -1.231 11.322 0.055 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.607 12.688 -0.285 1.00 0.00 C ATOM 1001 CD ARG A 109 -0.971 13.799 0.714 1.00 0.00 C ATOM 1002 NE ARG A 109 -2.416 14.120 0.689 1.00 0.00 N ATOM 1003 CZ ARG A 109 -3.004 15.187 0.167 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -2.353 16.123 -0.455 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -4.289 15.346 0.251 1.00 0.00 N ATOM 0 H ARG A 109 0.873 10.043 -0.189 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.375 11.290 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.177 10.684 -0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.288 11.467 0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.477 12.584 -0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -0.931 12.987 -1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.686 13.489 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.397 14.696 0.483 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.034 13.437 1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.341 16.057 -0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.854 16.924 -0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.860 14.645 0.723 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -4.728 16.172 -0.155 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.559 8.351 1.124 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.553 7.292 1.317 1.00 0.00 C ATOM 1021 C TYR A 110 -1.869 5.902 1.355 1.00 0.00 C ATOM 1022 O TYR A 110 -1.687 5.266 0.311 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.597 7.407 0.189 1.00 0.00 C ATOM 1024 CG TYR A 110 -4.161 8.797 -0.039 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -5.000 9.391 0.922 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.836 9.503 -1.215 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.526 10.677 0.703 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.366 10.788 -1.443 1.00 0.00 C ATOM 1029 CZ TYR A 110 -5.214 11.380 -0.481 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.714 12.632 -0.673 1.00 0.00 O ATOM 0 H TYR A 110 -0.868 8.113 0.412 1.00 0.00 H new ATOM 0 HA TYR A 110 -3.059 7.406 2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.143 7.061 -0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.422 6.731 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.241 8.858 1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -3.177 9.056 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -6.171 11.128 1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -4.124 11.320 -2.352 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.405 12.979 -1.536 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.464 5.404 2.542 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.575 4.240 2.662 1.00 0.00 C ATOM 1042 C PRO A 111 -1.204 2.903 2.242 1.00 0.00 C ATOM 1043 O PRO A 111 -0.481 1.940 1.980 1.00 0.00 O ATOM 1044 CB PRO A 111 -0.119 4.231 4.127 1.00 0.00 C ATOM 1045 CG PRO A 111 -1.261 4.929 4.863 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.710 5.984 3.855 1.00 0.00 C ATOM 0 HA PRO A 111 0.258 4.338 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.033 3.216 4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.825 4.761 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -2.066 4.237 5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.926 5.378 5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.765 6.226 3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.152 6.911 3.984 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.538 2.831 2.133 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.266 1.632 1.698 1.00 0.00 C ATOM 1056 C HIS A 112 -3.250 1.404 0.170 1.00 0.00 C ATOM 1057 O HIS A 112 -3.714 0.353 -0.281 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.686 1.675 2.279 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.572 2.746 1.695 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.389 4.126 1.837 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.635 2.518 0.872 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.359 4.690 1.100 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.131 3.754 0.529 1.00 0.00 N ATOM 0 H HIS A 112 -3.151 3.617 2.348 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.742 0.761 2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.158 0.705 2.121 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.619 1.825 3.357 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.012 1.558 0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.499 5.754 0.983 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.946 3.929 -0.059 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.716 2.344 -0.632 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.681 2.229 -2.102 1.00 0.00 C ATOM 1073 C LEU A 113 -1.468 1.453 -2.652 1.00 0.00 C ATOM 1074 O LEU A 113 -1.568 0.937 -3.770 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.776 3.622 -2.774 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.182 4.228 -2.944 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.121 3.382 -3.794 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.871 4.414 -1.614 1.00 0.00 C ATOM 0 H LEU A 113 -2.297 3.204 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.559 1.637 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.176 4.320 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.316 3.553 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.997 5.179 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.090 3.876 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.699 3.262 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.246 2.402 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.860 4.843 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.970 3.449 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.281 5.084 -0.989 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.339 1.379 -1.927 1.00 0.00 N ATOM 1091 CA ARG A 114 0.863 0.645 -2.369 1.00 0.00 C ATOM 1092 C ARG A 114 0.600 -0.861 -2.555 1.00 0.00 C ATOM 1093 O ARG A 114 0.826 -1.366 -3.678 1.00 0.00 O ATOM 1094 CB ARG A 114 2.029 0.910 -1.405 1.00 0.00 C ATOM 1095 CG ARG A 114 3.359 0.389 -1.979 1.00 0.00 C ATOM 1096 CD ARG A 114 4.552 0.705 -1.068 1.00 0.00 C ATOM 1097 NE ARG A 114 4.504 -0.055 0.197 1.00 0.00 N ATOM 1098 CZ ARG A 114 5.391 -0.015 1.172 1.00 0.00 C ATOM 1099 NH1 ARG A 114 6.447 0.746 1.123 1.00 0.00 N ATOM 1100 NH2 ARG A 114 5.232 -0.752 2.234 1.00 0.00 N ATOM 1101 OXT ARG A 114 0.175 -1.534 -1.585 1.00 0.00 O ATOM 0 H ARG A 114 -0.232 1.826 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 114 1.139 1.021 -3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.108 1.980 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.829 0.427 -0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.292 -0.689 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.527 0.833 -2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.479 0.475 -1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.567 1.773 -0.848 1.00 0.00 H new ATOM 0 HE ARG A 114 3.704 -0.673 0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.611 1.339 0.310 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.110 0.749 1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.419 -1.363 2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.920 -0.718 2.986 1.00 0.00 H new TER 1115 ARG A 114