USER MOD reduce.3.24.130724 H: found=0, std=0, add=1489, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1489 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 16 SER OG : rot -150:sc= 0.0994 USER MOD Set 1.2: A 153 GLN : amide:sc= 0.0893 K(o=0.19,f=-1.5) USER MOD Set 2.1: A 79 MET CE :methyl -159:sc= 0 (180deg=-0.829) USER MOD Set 2.2: A 186 THR OG1 : rot 80:sc= 0.623 USER MOD Set 3.1: A 77 GLN : amide:sc= -0.349 K(o=-0.46,f=-3.1!) USER MOD Set 3.2: A 119 LYS NZ :NH3+ -132:sc= -0.107 (180deg=-0.621) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.183 (180deg=-0.857) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -2.79 K(o=-2.8,f=-5.8!) USER MOD Single : A 14 THR OG1 : rot 53:sc= 0.0871 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0232 USER MOD Single : A 18 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.44) USER MOD Single : A 20 MET CE :methyl 165:sc= -0.156 (180deg=-1.03) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0204 K(o=-0.02,f=-3.7!) USER MOD Single : A 32 GLN : amide:sc= -0.226 K(o=-0.23,f=-2!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.0681 (180deg=-0.449) USER MOD Single : A 60 SER OG : rot 87:sc= 1.05 USER MOD Single : A 62 CYS SG : rot 63:sc= 0.0138 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -4.49! (180deg=-4.57!) USER MOD Single : A 72 SER OG : rot -68:sc= 1.27 USER MOD Single : A 73 ASN : amide:sc= -0.271 K(o=-0.27,f=-0.94) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 156:sc= 0.887 USER MOD Single : A 99 MET CE :methyl -168:sc= 0 (180deg=-0.289) USER MOD Single : A 101 SER OG : rot 14:sc= 0.975 USER MOD Single : A 104 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.3) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.182 F(o=-1.2,f=-0.18) USER MOD Single : A 115 TYR OH : rot 50:sc= 0.405 USER MOD Single : A 118 SER OG : rot 149:sc= 0.88 USER MOD Single : A 123 LYS NZ :NH3+ -124:sc= -1.31 (180deg=-3.77!) USER MOD Single : A 126 CYS SG : rot 180:sc=0.000481 USER MOD Single : A 127 THR OG1 : rot -47:sc= -2.16! USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot -25:sc= -0.603 USER MOD Single : A 137 MET CE :methyl 160:sc= -0.103 (180deg=-0.8) USER MOD Single : A 140 THR OG1 : rot -170:sc= -0.0177 USER MOD Single : A 155 GLN :FLIP amide:sc= -1.67 F(o=-2.8!,f=-1.7) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 171 GLN : amide:sc= -1.42! C(o=-1.4!,f=-4.9!) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 THR OG1 : rot -91:sc= 0.38 USER MOD Single : A 182 THR OG1 : rot -104:sc= 0.658 USER MOD Single : A 184 SER OG : rot 137:sc= 0.86 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 LYS NZ :NH3+ 163:sc= -0.0859 (180deg=-0.539) USER MOD Single : A 191 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 44.571 4.998 -17.363 1.00 17.15 N ATOM 2 CA MET A 1 43.683 5.181 -16.180 1.00 16.73 C ATOM 3 C MET A 1 43.603 3.869 -15.396 1.00 16.39 C ATOM 4 O MET A 1 42.873 2.966 -15.753 1.00 16.40 O ATOM 5 CB MET A 1 42.283 5.581 -16.651 1.00 16.98 C ATOM 6 CG MET A 1 42.394 6.667 -17.723 1.00 17.51 C ATOM 7 SD MET A 1 43.299 8.085 -17.056 1.00 17.69 S ATOM 8 CE MET A 1 43.687 8.871 -18.639 1.00 17.86 C ATOM 0 H1 MET A 1 44.900 5.926 -17.697 1.00 17.15 H new ATOM 0 H2 MET A 1 45.390 4.416 -17.095 1.00 17.15 H new ATOM 0 H3 MET A 1 44.043 4.523 -18.123 1.00 17.15 H new ATOM 0 HA MET A 1 44.087 5.964 -15.538 1.00 16.73 H new ATOM 0 HB2 MET A 1 41.761 4.712 -17.052 1.00 16.98 H new ATOM 0 HB3 MET A 1 41.695 5.946 -15.809 1.00 16.98 H new ATOM 0 HG2 MET A 1 42.907 6.275 -18.601 1.00 17.51 H new ATOM 0 HG3 MET A 1 41.400 6.976 -18.047 1.00 17.51 H new ATOM 0 HE1 MET A 1 44.255 9.784 -18.462 1.00 17.86 H new ATOM 0 HE2 MET A 1 44.278 8.188 -19.249 1.00 17.86 H new ATOM 0 HE3 MET A 1 42.762 9.115 -19.161 1.00 17.86 H new ATOM 20 N ASP A 2 44.348 3.758 -14.329 1.00 16.24 N ATOM 21 CA ASP A 2 44.317 2.504 -13.519 1.00 16.07 C ATOM 22 C ASP A 2 44.692 2.824 -12.069 1.00 15.50 C ATOM 23 O ASP A 2 44.629 3.960 -11.641 1.00 15.56 O ATOM 24 CB ASP A 2 45.321 1.502 -14.093 1.00 16.42 C ATOM 25 CG ASP A 2 44.978 1.214 -15.556 1.00 16.67 C ATOM 26 OD1 ASP A 2 43.922 0.651 -15.796 1.00 16.88 O ATOM 27 OD2 ASP A 2 45.776 1.562 -16.410 1.00 16.77 O ATOM 0 H ASP A 2 44.978 4.482 -13.982 1.00 16.24 H new ATOM 0 HA ASP A 2 43.315 2.076 -13.551 1.00 16.07 H new ATOM 0 HB2 ASP A 2 46.332 1.901 -14.018 1.00 16.42 H new ATOM 0 HB3 ASP A 2 45.299 0.578 -13.515 1.00 16.42 H new ATOM 32 N GLY A 3 45.082 1.826 -11.313 1.00 15.11 N ATOM 33 CA GLY A 3 45.469 2.048 -9.881 1.00 14.72 C ATOM 34 C GLY A 3 44.462 1.346 -8.966 1.00 14.60 C ATOM 35 O GLY A 3 44.024 0.247 -9.240 1.00 14.88 O ATOM 0 H GLY A 3 45.150 0.858 -11.628 1.00 15.11 H new ATOM 0 HA2 GLY A 3 46.472 1.662 -9.700 1.00 14.72 H new ATOM 0 HA3 GLY A 3 45.494 3.115 -9.661 1.00 14.72 H new ATOM 39 N SER A 4 44.097 1.966 -7.877 1.00 14.34 N ATOM 40 CA SER A 4 43.125 1.324 -6.946 1.00 14.41 C ATOM 41 C SER A 4 41.806 1.067 -7.677 1.00 13.79 C ATOM 42 O SER A 4 41.263 -0.019 -7.634 1.00 14.02 O ATOM 43 CB SER A 4 42.875 2.248 -5.754 1.00 14.82 C ATOM 44 OG SER A 4 44.082 2.403 -5.020 1.00 14.88 O ATOM 0 H SER A 4 44.429 2.887 -7.592 1.00 14.34 H new ATOM 0 HA SER A 4 43.534 0.377 -6.594 1.00 14.41 H new ATOM 0 HB2 SER A 4 42.519 3.218 -6.100 1.00 14.82 H new ATOM 0 HB3 SER A 4 42.097 1.832 -5.114 1.00 14.82 H new ATOM 0 HG SER A 4 43.926 2.996 -4.256 1.00 14.88 H new ATOM 50 N GLY A 5 41.288 2.055 -8.352 1.00 13.15 N ATOM 51 CA GLY A 5 40.007 1.864 -9.090 1.00 12.67 C ATOM 52 C GLY A 5 38.833 1.866 -8.107 1.00 12.31 C ATOM 53 O GLY A 5 38.841 2.578 -7.123 1.00 12.37 O ATOM 0 H GLY A 5 41.696 2.987 -8.425 1.00 13.15 H new ATOM 0 HA2 GLY A 5 39.879 2.659 -9.825 1.00 12.67 H new ATOM 0 HA3 GLY A 5 40.031 0.923 -9.639 1.00 12.67 H new ATOM 57 N GLU A 6 37.821 1.083 -8.361 1.00 12.14 N ATOM 58 CA GLU A 6 36.651 1.055 -7.434 1.00 12.01 C ATOM 59 C GLU A 6 37.030 0.299 -6.157 1.00 11.53 C ATOM 60 O GLU A 6 37.343 -0.874 -6.198 1.00 11.57 O ATOM 61 CB GLU A 6 35.482 0.344 -8.115 1.00 12.39 C ATOM 62 CG GLU A 6 34.259 0.383 -7.198 1.00 12.94 C ATOM 63 CD GLU A 6 33.045 -0.172 -7.944 1.00 13.31 C ATOM 64 OE1 GLU A 6 32.432 0.582 -8.681 1.00 13.50 O ATOM 65 OE2 GLU A 6 32.749 -1.342 -7.765 1.00 13.55 O ATOM 0 H GLU A 6 37.752 0.462 -9.168 1.00 12.14 H new ATOM 0 HA GLU A 6 36.362 2.075 -7.181 1.00 12.01 H new ATOM 0 HB2 GLU A 6 35.253 0.826 -9.065 1.00 12.39 H new ATOM 0 HB3 GLU A 6 35.750 -0.689 -8.338 1.00 12.39 H new ATOM 0 HG2 GLU A 6 34.446 -0.204 -6.299 1.00 12.94 H new ATOM 0 HG3 GLU A 6 34.065 1.406 -6.876 1.00 12.94 H new ATOM 72 N GLN A 7 37.020 0.964 -5.023 1.00 11.25 N ATOM 73 CA GLN A 7 37.397 0.301 -3.732 1.00 10.97 C ATOM 74 C GLN A 7 36.123 0.122 -2.870 1.00 10.29 C ATOM 75 O GLN A 7 35.087 0.647 -3.226 1.00 10.41 O ATOM 76 CB GLN A 7 38.466 1.206 -3.071 1.00 11.52 C ATOM 77 CG GLN A 7 37.862 2.279 -2.146 1.00 12.08 C ATOM 78 CD GLN A 7 36.986 3.240 -2.956 1.00 12.56 C ATOM 79 OE1 GLN A 7 35.850 2.936 -3.265 1.00 12.91 O ATOM 80 NE2 GLN A 7 37.472 4.398 -3.314 1.00 12.77 N ATOM 0 H GLN A 7 36.764 1.948 -4.937 1.00 11.25 H new ATOM 0 HA GLN A 7 37.817 -0.696 -3.866 1.00 10.97 H new ATOM 0 HB2 GLN A 7 39.154 0.585 -2.497 1.00 11.52 H new ATOM 0 HB3 GLN A 7 39.052 1.694 -3.850 1.00 11.52 H new ATOM 0 HG2 GLN A 7 37.268 1.804 -1.365 1.00 12.08 H new ATOM 0 HG3 GLN A 7 38.659 2.832 -1.649 1.00 12.08 H new ATOM 0 HE21 GLN A 7 38.425 4.653 -3.055 1.00 12.77 H new ATOM 0 HE22 GLN A 7 36.899 5.047 -3.853 1.00 12.77 H new ATOM 89 N PRO A 8 36.204 -0.627 -1.776 1.00 9.81 N ATOM 90 CA PRO A 8 35.020 -0.861 -0.926 1.00 9.37 C ATOM 91 C PRO A 8 34.412 0.483 -0.498 1.00 9.09 C ATOM 92 O PRO A 8 34.875 1.107 0.434 1.00 9.07 O ATOM 93 CB PRO A 8 35.534 -1.695 0.271 1.00 9.20 C ATOM 94 CG PRO A 8 37.024 -2.042 -0.015 1.00 9.57 C ATOM 95 CD PRO A 8 37.441 -1.283 -1.295 1.00 9.93 C ATOM 0 HA PRO A 8 34.222 -1.395 -1.441 1.00 9.37 H new ATOM 0 HB2 PRO A 8 35.442 -1.132 1.200 1.00 9.20 H new ATOM 0 HB3 PRO A 8 34.943 -2.603 0.389 1.00 9.20 H new ATOM 0 HG2 PRO A 8 37.654 -1.751 0.826 1.00 9.57 H new ATOM 0 HG3 PRO A 8 37.148 -3.117 -0.149 1.00 9.57 H new ATOM 0 HD2 PRO A 8 38.219 -0.550 -1.082 1.00 9.93 H new ATOM 0 HD3 PRO A 8 37.842 -1.965 -2.045 1.00 9.93 H new ATOM 103 N ARG A 9 33.379 0.932 -1.148 1.00 9.13 N ATOM 104 CA ARG A 9 32.765 2.226 -0.738 1.00 9.14 C ATOM 105 C ARG A 9 31.412 2.377 -1.425 1.00 8.60 C ATOM 106 O ARG A 9 30.411 2.657 -0.795 1.00 8.68 O ATOM 107 CB ARG A 9 33.680 3.388 -1.135 1.00 10.09 C ATOM 108 CG ARG A 9 33.087 4.704 -0.621 1.00 10.67 C ATOM 109 CD ARG A 9 34.048 5.854 -0.929 1.00 11.51 C ATOM 110 NE ARG A 9 34.313 5.899 -2.394 1.00 12.05 N ATOM 111 CZ ARG A 9 34.860 6.958 -2.928 1.00 12.65 C ATOM 112 NH1 ARG A 9 35.176 7.978 -2.178 1.00 12.79 N ATOM 113 NH2 ARG A 9 35.091 6.995 -4.211 1.00 13.27 N ATOM 0 H ARG A 9 32.935 0.466 -1.939 1.00 9.13 H new ATOM 0 HA ARG A 9 32.631 2.238 0.344 1.00 9.14 H new ATOM 0 HB2 ARG A 9 34.676 3.239 -0.719 1.00 10.09 H new ATOM 0 HB3 ARG A 9 33.789 3.425 -2.219 1.00 10.09 H new ATOM 0 HG2 ARG A 9 32.121 4.888 -1.091 1.00 10.67 H new ATOM 0 HG3 ARG A 9 32.912 4.641 0.453 1.00 10.67 H new ATOM 0 HD2 ARG A 9 33.619 6.799 -0.597 1.00 11.51 H new ATOM 0 HD3 ARG A 9 34.982 5.718 -0.383 1.00 11.51 H new ATOM 0 HE ARG A 9 34.067 5.102 -2.981 1.00 12.05 H new ATOM 0 HH11 ARG A 9 34.996 7.948 -1.174 1.00 12.79 H new ATOM 0 HH12 ARG A 9 35.603 8.805 -2.595 1.00 12.79 H new ATOM 0 HH21 ARG A 9 34.844 6.197 -4.797 1.00 13.27 H new ATOM 0 HH22 ARG A 9 35.518 7.822 -4.629 1.00 13.27 H new ATOM 127 N GLY A 10 31.373 2.183 -2.715 1.00 8.29 N ATOM 128 CA GLY A 10 30.084 2.303 -3.461 1.00 8.00 C ATOM 129 C GLY A 10 29.474 0.913 -3.640 1.00 7.45 C ATOM 130 O GLY A 10 29.506 0.082 -2.752 1.00 7.68 O ATOM 0 H GLY A 10 32.182 1.945 -3.289 1.00 8.29 H new ATOM 0 HA2 GLY A 10 29.394 2.948 -2.917 1.00 8.00 H new ATOM 0 HA3 GLY A 10 30.255 2.766 -4.433 1.00 8.00 H new ATOM 134 N GLY A 11 28.930 0.658 -4.802 1.00 7.01 N ATOM 135 CA GLY A 11 28.317 -0.674 -5.091 1.00 6.74 C ATOM 136 C GLY A 11 26.806 -0.599 -4.877 1.00 5.83 C ATOM 137 O GLY A 11 26.157 -1.582 -4.580 1.00 6.06 O ATOM 0 H GLY A 11 28.884 1.324 -5.573 1.00 7.01 H new ATOM 0 HA2 GLY A 11 28.535 -0.971 -6.117 1.00 6.74 H new ATOM 0 HA3 GLY A 11 28.750 -1.434 -4.440 1.00 6.74 H new ATOM 141 N GLY A 12 26.239 0.561 -5.064 1.00 5.12 N ATOM 142 CA GLY A 12 24.766 0.715 -4.914 1.00 4.52 C ATOM 143 C GLY A 12 24.300 0.231 -3.535 1.00 3.52 C ATOM 144 O GLY A 12 23.570 -0.736 -3.448 1.00 3.54 O ATOM 0 H GLY A 12 26.737 1.414 -5.316 1.00 5.12 H new ATOM 0 HA2 GLY A 12 24.491 1.761 -5.048 1.00 4.52 H new ATOM 0 HA3 GLY A 12 24.256 0.149 -5.693 1.00 4.52 H new ATOM 148 N PRO A 13 24.712 0.918 -2.492 1.00 3.15 N ATOM 149 CA PRO A 13 24.306 0.553 -1.125 1.00 2.77 C ATOM 150 C PRO A 13 22.773 0.473 -1.025 1.00 2.05 C ATOM 151 O PRO A 13 22.056 0.929 -1.894 1.00 2.37 O ATOM 152 CB PRO A 13 24.840 1.700 -0.235 1.00 3.47 C ATOM 153 CG PRO A 13 25.820 2.533 -1.109 1.00 3.99 C ATOM 154 CD PRO A 13 25.607 2.094 -2.578 1.00 3.79 C ATOM 0 HA PRO A 13 24.696 -0.420 -0.826 1.00 2.77 H new ATOM 0 HB2 PRO A 13 24.021 2.322 0.126 1.00 3.47 H new ATOM 0 HB3 PRO A 13 25.349 1.302 0.643 1.00 3.47 H new ATOM 0 HG2 PRO A 13 25.627 3.600 -0.994 1.00 3.99 H new ATOM 0 HG3 PRO A 13 26.851 2.361 -0.801 1.00 3.99 H new ATOM 0 HD2 PRO A 13 25.157 2.892 -3.169 1.00 3.79 H new ATOM 0 HD3 PRO A 13 26.553 1.838 -3.056 1.00 3.79 H new ATOM 162 N THR A 14 22.276 -0.065 0.056 1.00 1.59 N ATOM 163 CA THR A 14 20.799 -0.143 0.263 1.00 1.24 C ATOM 164 C THR A 14 20.394 1.002 1.200 1.00 1.07 C ATOM 165 O THR A 14 20.380 0.852 2.406 1.00 1.20 O ATOM 166 CB THR A 14 20.449 -1.490 0.909 1.00 1.43 C ATOM 167 OG1 THR A 14 21.465 -1.837 1.839 1.00 2.16 O ATOM 168 CG2 THR A 14 20.357 -2.572 -0.167 1.00 1.78 C ATOM 0 H THR A 14 22.835 -0.458 0.813 1.00 1.59 H new ATOM 0 HA THR A 14 20.271 -0.059 -0.687 1.00 1.24 H new ATOM 0 HB THR A 14 19.489 -1.409 1.420 1.00 1.43 H new ATOM 0 HG1 THR A 14 21.602 -1.096 2.465 1.00 2.16 H new ATOM 0 HG21 THR A 14 20.108 -3.526 0.297 1.00 1.78 H new ATOM 0 HG22 THR A 14 19.582 -2.305 -0.886 1.00 1.78 H new ATOM 0 HG23 THR A 14 21.315 -2.657 -0.680 1.00 1.78 H new ATOM 176 N SER A 15 20.091 2.154 0.657 1.00 1.07 N ATOM 177 CA SER A 15 19.717 3.320 1.522 1.00 0.91 C ATOM 178 C SER A 15 18.201 3.339 1.760 1.00 0.75 C ATOM 179 O SER A 15 17.416 3.329 0.833 1.00 0.78 O ATOM 180 CB SER A 15 20.162 4.624 0.831 1.00 0.99 C ATOM 181 OG SER A 15 19.022 5.381 0.437 1.00 1.38 O ATOM 0 H SER A 15 20.086 2.340 -0.346 1.00 1.07 H new ATOM 0 HA SER A 15 20.216 3.231 2.487 1.00 0.91 H new ATOM 0 HB2 SER A 15 20.782 5.211 1.509 1.00 0.99 H new ATOM 0 HB3 SER A 15 20.774 4.393 -0.041 1.00 0.99 H new ATOM 0 HG SER A 15 19.314 6.208 0.000 1.00 1.38 H new ATOM 187 N SER A 16 17.787 3.373 2.998 1.00 0.72 N ATOM 188 CA SER A 16 16.327 3.399 3.300 1.00 0.82 C ATOM 189 C SER A 16 15.664 4.538 2.520 1.00 0.81 C ATOM 190 O SER A 16 14.553 4.409 2.041 1.00 0.92 O ATOM 191 CB SER A 16 16.122 3.624 4.799 1.00 1.06 C ATOM 192 OG SER A 16 16.776 2.591 5.523 1.00 1.64 O ATOM 0 H SER A 16 18.398 3.384 3.815 1.00 0.72 H new ATOM 0 HA SER A 16 15.879 2.449 3.008 1.00 0.82 H new ATOM 0 HB2 SER A 16 16.520 4.596 5.090 1.00 1.06 H new ATOM 0 HB3 SER A 16 15.058 3.632 5.035 1.00 1.06 H new ATOM 0 HG SER A 16 16.296 2.425 6.361 1.00 1.64 H new ATOM 198 N GLU A 17 16.330 5.651 2.379 1.00 0.80 N ATOM 199 CA GLU A 17 15.725 6.782 1.620 1.00 0.94 C ATOM 200 C GLU A 17 15.244 6.284 0.253 1.00 0.85 C ATOM 201 O GLU A 17 14.296 6.805 -0.303 1.00 0.89 O ATOM 202 CB GLU A 17 16.751 7.911 1.460 1.00 1.13 C ATOM 203 CG GLU A 17 16.044 9.211 1.072 1.00 1.71 C ATOM 204 CD GLU A 17 17.088 10.310 0.858 1.00 2.26 C ATOM 205 OE1 GLU A 17 17.824 10.220 -0.112 1.00 2.68 O ATOM 206 OE2 GLU A 17 17.136 11.221 1.667 1.00 2.90 O ATOM 0 H GLU A 17 17.262 5.826 2.754 1.00 0.80 H new ATOM 0 HA GLU A 17 14.868 7.174 2.168 1.00 0.94 H new ATOM 0 HB2 GLU A 17 17.299 8.050 2.392 1.00 1.13 H new ATOM 0 HB3 GLU A 17 17.482 7.643 0.697 1.00 1.13 H new ATOM 0 HG2 GLU A 17 15.462 9.064 0.162 1.00 1.71 H new ATOM 0 HG3 GLU A 17 15.344 9.505 1.854 1.00 1.71 H new ATOM 213 N GLN A 18 15.869 5.276 -0.292 1.00 0.80 N ATOM 214 CA GLN A 18 15.413 4.751 -1.610 1.00 0.83 C ATOM 215 C GLN A 18 14.007 4.143 -1.453 1.00 0.68 C ATOM 216 O GLN A 18 13.196 4.183 -2.358 1.00 0.69 O ATOM 217 CB GLN A 18 16.387 3.672 -2.095 1.00 0.96 C ATOM 218 CG GLN A 18 16.164 3.421 -3.587 1.00 1.53 C ATOM 219 CD GLN A 18 16.682 4.615 -4.391 1.00 2.23 C ATOM 220 OE1 GLN A 18 15.908 5.391 -4.915 1.00 2.69 O ATOM 221 NE2 GLN A 18 17.969 4.795 -4.512 1.00 3.07 N ATOM 0 H GLN A 18 16.671 4.796 0.116 1.00 0.80 H new ATOM 0 HA GLN A 18 15.382 5.562 -2.338 1.00 0.83 H new ATOM 0 HB2 GLN A 18 17.415 3.988 -1.918 1.00 0.96 H new ATOM 0 HB3 GLN A 18 16.235 2.750 -1.533 1.00 0.96 H new ATOM 0 HG2 GLN A 18 16.680 2.511 -3.894 1.00 1.53 H new ATOM 0 HG3 GLN A 18 15.103 3.268 -3.786 1.00 1.53 H new ATOM 0 HE21 GLN A 18 18.619 4.143 -4.072 1.00 3.07 H new ATOM 0 HE22 GLN A 18 18.325 5.587 -5.047 1.00 3.07 H new ATOM 230 N ILE A 19 13.719 3.588 -0.301 1.00 0.59 N ATOM 231 CA ILE A 19 12.370 2.980 -0.052 1.00 0.58 C ATOM 232 C ILE A 19 11.308 4.082 -0.014 1.00 0.52 C ATOM 233 O ILE A 19 10.176 3.887 -0.409 1.00 0.59 O ATOM 234 CB ILE A 19 12.398 2.213 1.275 1.00 0.64 C ATOM 235 CG1 ILE A 19 13.410 1.071 1.164 1.00 0.74 C ATOM 236 CG2 ILE A 19 11.014 1.642 1.589 1.00 0.73 C ATOM 237 CD1 ILE A 19 13.591 0.413 2.531 1.00 0.81 C ATOM 0 H ILE A 19 14.365 3.529 0.486 1.00 0.59 H new ATOM 0 HA ILE A 19 12.122 2.287 -0.856 1.00 0.58 H new ATOM 0 HB ILE A 19 12.685 2.892 2.078 1.00 0.64 H new ATOM 0 HG12 ILE A 19 13.065 0.335 0.438 1.00 0.74 H new ATOM 0 HG13 ILE A 19 14.365 1.452 0.803 1.00 0.74 H new ATOM 0 HG21 ILE A 19 11.050 1.100 2.534 1.00 0.73 H new ATOM 0 HG22 ILE A 19 10.293 2.456 1.665 1.00 0.73 H new ATOM 0 HG23 ILE A 19 10.712 0.962 0.792 1.00 0.73 H new ATOM 0 HD11 ILE A 19 14.312 -0.400 2.451 1.00 0.81 H new ATOM 0 HD12 ILE A 19 13.955 1.152 3.245 1.00 0.81 H new ATOM 0 HD13 ILE A 19 12.635 0.018 2.874 1.00 0.81 H new ATOM 249 N MET A 20 11.673 5.239 0.443 1.00 0.51 N ATOM 250 CA MET A 20 10.723 6.383 0.503 1.00 0.60 C ATOM 251 C MET A 20 10.324 6.869 -0.897 1.00 0.55 C ATOM 252 O MET A 20 9.208 7.287 -1.133 1.00 0.59 O ATOM 253 CB MET A 20 11.449 7.549 1.240 1.00 0.82 C ATOM 254 CG MET A 20 10.888 7.673 2.682 1.00 1.07 C ATOM 255 SD MET A 20 9.123 8.158 2.635 1.00 1.43 S ATOM 256 CE MET A 20 8.420 6.739 3.536 1.00 0.93 C ATOM 0 H MET A 20 12.610 5.448 0.786 1.00 0.51 H new ATOM 0 HA MET A 20 9.817 6.065 1.018 1.00 0.60 H new ATOM 0 HB2 MET A 20 12.523 7.363 1.270 1.00 0.82 H new ATOM 0 HB3 MET A 20 11.302 8.484 0.699 1.00 0.82 H new ATOM 0 HG2 MET A 20 10.998 6.723 3.206 1.00 1.07 H new ATOM 0 HG3 MET A 20 11.461 8.413 3.241 1.00 1.07 H new ATOM 0 HE1 MET A 20 7.401 6.972 3.844 1.00 0.93 H new ATOM 0 HE2 MET A 20 8.412 5.864 2.887 1.00 0.93 H new ATOM 0 HE3 MET A 20 9.026 6.531 4.418 1.00 0.93 H new ATOM 266 N LYS A 21 11.261 6.838 -1.818 1.00 0.57 N ATOM 267 CA LYS A 21 11.001 7.315 -3.208 1.00 0.61 C ATOM 268 C LYS A 21 10.146 6.317 -3.989 1.00 0.53 C ATOM 269 O LYS A 21 9.102 6.658 -4.501 1.00 0.51 O ATOM 270 CB LYS A 21 12.337 7.474 -3.943 1.00 0.72 C ATOM 271 CG LYS A 21 13.229 8.476 -3.209 1.00 1.09 C ATOM 272 CD LYS A 21 14.531 8.661 -3.994 1.00 1.24 C ATOM 273 CE LYS A 21 15.462 9.604 -3.231 1.00 1.80 C ATOM 274 NZ LYS A 21 16.690 9.853 -4.038 1.00 2.40 N ATOM 0 H LYS A 21 12.209 6.496 -1.658 1.00 0.57 H new ATOM 0 HA LYS A 21 10.469 8.264 -3.144 1.00 0.61 H new ATOM 0 HB2 LYS A 21 12.840 6.509 -4.010 1.00 0.72 H new ATOM 0 HB3 LYS A 21 12.160 7.813 -4.964 1.00 0.72 H new ATOM 0 HG2 LYS A 21 12.714 9.431 -3.105 1.00 1.09 H new ATOM 0 HG3 LYS A 21 13.445 8.119 -2.202 1.00 1.09 H new ATOM 0 HD2 LYS A 21 15.017 7.697 -4.144 1.00 1.24 H new ATOM 0 HD3 LYS A 21 14.317 9.067 -4.983 1.00 1.24 H new ATOM 0 HE2 LYS A 21 14.953 10.545 -3.024 1.00 1.80 H new ATOM 0 HE3 LYS A 21 15.729 9.168 -2.268 1.00 1.80 H new ATOM 0 HZ1 LYS A 21 17.323 10.494 -3.518 1.00 2.40 H new ATOM 0 HZ2 LYS A 21 17.179 8.952 -4.214 1.00 2.40 H new ATOM 0 HZ3 LYS A 21 16.427 10.287 -4.946 1.00 2.40 H new ATOM 288 N THR A 22 10.563 5.084 -4.091 1.00 0.53 N ATOM 289 CA THR A 22 9.749 4.099 -4.853 1.00 0.52 C ATOM 290 C THR A 22 8.361 4.001 -4.226 1.00 0.45 C ATOM 291 O THR A 22 7.367 3.843 -4.906 1.00 0.48 O ATOM 292 CB THR A 22 10.443 2.734 -4.807 1.00 0.55 C ATOM 293 OG1 THR A 22 11.768 2.864 -5.306 1.00 0.64 O ATOM 294 CG2 THR A 22 9.670 1.733 -5.665 1.00 0.62 C ATOM 0 H THR A 22 11.424 4.720 -3.683 1.00 0.53 H new ATOM 0 HA THR A 22 9.650 4.418 -5.891 1.00 0.52 H new ATOM 0 HB THR A 22 10.472 2.376 -3.778 1.00 0.55 H new ATOM 0 HG1 THR A 22 12.216 1.993 -5.276 1.00 0.64 H new ATOM 0 HG21 THR A 22 10.167 0.763 -5.630 1.00 0.62 H new ATOM 0 HG22 THR A 22 8.654 1.634 -5.283 1.00 0.62 H new ATOM 0 HG23 THR A 22 9.637 2.086 -6.696 1.00 0.62 H new ATOM 302 N GLY A 23 8.290 4.093 -2.930 1.00 0.42 N ATOM 303 CA GLY A 23 6.973 4.003 -2.240 1.00 0.43 C ATOM 304 C GLY A 23 6.043 5.131 -2.711 1.00 0.41 C ATOM 305 O GLY A 23 4.968 4.879 -3.218 1.00 0.47 O ATOM 0 H GLY A 23 9.092 4.228 -2.314 1.00 0.42 H new ATOM 0 HA2 GLY A 23 6.514 3.036 -2.444 1.00 0.43 H new ATOM 0 HA3 GLY A 23 7.115 4.067 -1.161 1.00 0.43 H new ATOM 309 N ALA A 24 6.436 6.367 -2.549 1.00 0.40 N ATOM 310 CA ALA A 24 5.563 7.500 -2.987 1.00 0.41 C ATOM 311 C ALA A 24 5.334 7.458 -4.500 1.00 0.41 C ATOM 312 O ALA A 24 4.343 7.946 -5.003 1.00 0.41 O ATOM 313 CB ALA A 24 6.267 8.815 -2.661 1.00 0.42 C ATOM 0 H ALA A 24 7.325 6.643 -2.132 1.00 0.40 H new ATOM 0 HA ALA A 24 4.606 7.418 -2.472 1.00 0.41 H new ATOM 0 HB1 ALA A 24 5.641 9.650 -2.975 1.00 0.42 H new ATOM 0 HB2 ALA A 24 6.443 8.877 -1.587 1.00 0.42 H new ATOM 0 HB3 ALA A 24 7.220 8.858 -3.188 1.00 0.42 H new ATOM 319 N LEU A 25 6.254 6.883 -5.228 1.00 0.42 N ATOM 320 CA LEU A 25 6.099 6.820 -6.706 1.00 0.44 C ATOM 321 C LEU A 25 5.059 5.749 -7.028 1.00 0.44 C ATOM 322 O LEU A 25 4.171 5.949 -7.834 1.00 0.46 O ATOM 323 CB LEU A 25 7.462 6.486 -7.364 1.00 0.47 C ATOM 324 CG LEU A 25 8.126 7.763 -7.905 1.00 0.77 C ATOM 325 CD1 LEU A 25 8.534 8.674 -6.745 1.00 1.58 C ATOM 326 CD2 LEU A 25 9.367 7.385 -8.715 1.00 1.67 C ATOM 0 H LEU A 25 7.104 6.455 -4.861 1.00 0.42 H new ATOM 0 HA LEU A 25 5.767 7.781 -7.100 1.00 0.44 H new ATOM 0 HB2 LEU A 25 8.117 6.009 -6.635 1.00 0.47 H new ATOM 0 HB3 LEU A 25 7.316 5.773 -8.176 1.00 0.47 H new ATOM 0 HG LEU A 25 7.417 8.292 -8.542 1.00 0.77 H new ATOM 0 HD11 LEU A 25 9.003 9.576 -7.138 1.00 1.58 H new ATOM 0 HD12 LEU A 25 7.650 8.947 -6.168 1.00 1.58 H new ATOM 0 HD13 LEU A 25 9.240 8.149 -6.101 1.00 1.58 H new ATOM 0 HD21 LEU A 25 9.840 8.289 -9.100 1.00 1.67 H new ATOM 0 HD22 LEU A 25 10.070 6.852 -8.075 1.00 1.67 H new ATOM 0 HD23 LEU A 25 9.077 6.745 -9.548 1.00 1.67 H new ATOM 338 N LEU A 26 5.190 4.599 -6.435 1.00 0.45 N ATOM 339 CA LEU A 26 4.239 3.504 -6.744 1.00 0.47 C ATOM 340 C LEU A 26 2.800 4.011 -6.652 1.00 0.49 C ATOM 341 O LEU A 26 2.032 3.867 -7.583 1.00 0.52 O ATOM 342 CB LEU A 26 4.475 2.315 -5.785 1.00 0.51 C ATOM 343 CG LEU A 26 5.615 1.415 -6.320 1.00 0.69 C ATOM 344 CD1 LEU A 26 6.071 0.440 -5.225 1.00 1.17 C ATOM 345 CD2 LEU A 26 5.118 0.628 -7.550 1.00 1.35 C ATOM 0 H LEU A 26 5.913 4.371 -5.752 1.00 0.45 H new ATOM 0 HA LEU A 26 4.408 3.159 -7.764 1.00 0.47 H new ATOM 0 HB2 LEU A 26 4.729 2.685 -4.792 1.00 0.51 H new ATOM 0 HB3 LEU A 26 3.559 1.733 -5.684 1.00 0.51 H new ATOM 0 HG LEU A 26 6.460 2.040 -6.610 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.873 -0.190 -5.610 1.00 1.17 H new ATOM 0 HD12 LEU A 26 6.432 1.003 -4.364 1.00 1.17 H new ATOM 0 HD13 LEU A 26 5.232 -0.186 -4.923 1.00 1.17 H new ATOM 0 HD21 LEU A 26 5.922 -0.005 -7.926 1.00 1.35 H new ATOM 0 HD22 LEU A 26 4.269 0.006 -7.266 1.00 1.35 H new ATOM 0 HD23 LEU A 26 4.812 1.326 -8.329 1.00 1.35 H new ATOM 357 N LEU A 27 2.404 4.571 -5.550 1.00 0.50 N ATOM 358 CA LEU A 27 0.988 5.030 -5.460 1.00 0.56 C ATOM 359 C LEU A 27 0.692 6.037 -6.575 1.00 0.56 C ATOM 360 O LEU A 27 -0.316 5.944 -7.246 1.00 0.60 O ATOM 361 CB LEU A 27 0.689 5.670 -4.100 1.00 0.64 C ATOM 362 CG LEU A 27 1.399 4.907 -2.991 1.00 0.95 C ATOM 363 CD1 LEU A 27 1.051 5.538 -1.643 1.00 1.66 C ATOM 364 CD2 LEU A 27 0.944 3.448 -3.009 1.00 1.42 C ATOM 0 H LEU A 27 2.980 4.731 -4.723 1.00 0.50 H new ATOM 0 HA LEU A 27 0.348 4.155 -5.573 1.00 0.56 H new ATOM 0 HB2 LEU A 27 1.014 6.711 -4.101 1.00 0.64 H new ATOM 0 HB3 LEU A 27 -0.386 5.672 -3.919 1.00 0.64 H new ATOM 0 HG LEU A 27 2.477 4.951 -3.145 1.00 0.95 H new ATOM 0 HD11 LEU A 27 1.557 4.995 -0.845 1.00 1.66 H new ATOM 0 HD12 LEU A 27 1.374 6.579 -1.634 1.00 1.66 H new ATOM 0 HD13 LEU A 27 -0.027 5.491 -1.487 1.00 1.66 H new ATOM 0 HD21 LEU A 27 1.451 2.899 -2.216 1.00 1.42 H new ATOM 0 HD22 LEU A 27 -0.134 3.401 -2.851 1.00 1.42 H new ATOM 0 HD23 LEU A 27 1.190 3.002 -3.973 1.00 1.42 H new ATOM 376 N GLN A 28 1.534 7.010 -6.768 1.00 0.55 N ATOM 377 CA GLN A 28 1.256 8.021 -7.823 1.00 0.58 C ATOM 378 C GLN A 28 1.015 7.329 -9.168 1.00 0.54 C ATOM 379 O GLN A 28 0.265 7.797 -10.001 1.00 0.58 O ATOM 380 CB GLN A 28 2.460 8.954 -7.938 1.00 0.60 C ATOM 381 CG GLN A 28 2.545 9.794 -6.664 1.00 1.00 C ATOM 382 CD GLN A 28 3.858 10.577 -6.640 1.00 1.40 C ATOM 383 OE1 GLN A 28 4.374 10.955 -7.673 1.00 2.09 O ATOM 384 NE2 GLN A 28 4.421 10.843 -5.493 1.00 1.91 N ATOM 0 H GLN A 28 2.398 7.149 -6.245 1.00 0.55 H new ATOM 0 HA GLN A 28 0.364 8.589 -7.557 1.00 0.58 H new ATOM 0 HB2 GLN A 28 3.375 8.377 -8.073 1.00 0.60 H new ATOM 0 HB3 GLN A 28 2.358 9.599 -8.811 1.00 0.60 H new ATOM 0 HG2 GLN A 28 1.701 10.482 -6.615 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.481 9.148 -5.788 1.00 1.00 H new ATOM 0 HE21 GLN A 28 3.987 10.525 -4.626 1.00 1.91 H new ATOM 0 HE22 GLN A 28 5.295 11.369 -5.463 1.00 1.91 H new ATOM 393 N GLY A 29 1.681 6.223 -9.387 1.00 0.50 N ATOM 394 CA GLY A 29 1.539 5.488 -10.679 1.00 0.48 C ATOM 395 C GLY A 29 0.336 4.546 -10.631 1.00 0.44 C ATOM 396 O GLY A 29 -0.454 4.496 -11.552 1.00 0.50 O ATOM 0 H GLY A 29 2.322 5.795 -8.719 1.00 0.50 H new ATOM 0 HA2 GLY A 29 1.419 6.199 -11.497 1.00 0.48 H new ATOM 0 HA3 GLY A 29 2.446 4.919 -10.882 1.00 0.48 H new ATOM 400 N PHE A 30 0.186 3.794 -9.576 1.00 0.44 N ATOM 401 CA PHE A 30 -0.976 2.862 -9.505 1.00 0.43 C ATOM 402 C PHE A 30 -2.253 3.686 -9.328 1.00 0.40 C ATOM 403 O PHE A 30 -3.311 3.311 -9.796 1.00 0.43 O ATOM 404 CB PHE A 30 -0.797 1.877 -8.326 1.00 0.47 C ATOM 405 CG PHE A 30 -2.146 1.363 -7.857 1.00 0.47 C ATOM 406 CD1 PHE A 30 -2.934 0.583 -8.713 1.00 1.20 C ATOM 407 CD2 PHE A 30 -2.611 1.681 -6.576 1.00 1.39 C ATOM 408 CE1 PHE A 30 -4.185 0.122 -8.287 1.00 1.21 C ATOM 409 CE2 PHE A 30 -3.859 1.218 -6.151 1.00 1.42 C ATOM 410 CZ PHE A 30 -4.648 0.440 -7.005 1.00 0.58 C ATOM 0 H PHE A 30 0.809 3.783 -8.768 1.00 0.44 H new ATOM 0 HA PHE A 30 -1.043 2.279 -10.424 1.00 0.43 H new ATOM 0 HB2 PHE A 30 -0.169 1.041 -8.634 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -0.284 2.374 -7.503 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -2.576 0.337 -9.702 1.00 1.20 H new ATOM 0 HD2 PHE A 30 -2.005 2.284 -5.916 1.00 1.39 H new ATOM 0 HE1 PHE A 30 -4.793 -0.479 -8.947 1.00 1.21 H new ATOM 0 HE2 PHE A 30 -4.215 1.461 -5.161 1.00 1.42 H new ATOM 0 HZ PHE A 30 -5.613 0.085 -6.675 1.00 0.58 H new ATOM 420 N ILE A 31 -2.175 4.804 -8.661 1.00 0.40 N ATOM 421 CA ILE A 31 -3.401 5.623 -8.474 1.00 0.40 C ATOM 422 C ILE A 31 -3.698 6.380 -9.776 1.00 0.40 C ATOM 423 O ILE A 31 -4.779 6.287 -10.324 1.00 0.43 O ATOM 424 CB ILE A 31 -3.206 6.614 -7.311 1.00 0.41 C ATOM 425 CG1 ILE A 31 -3.115 5.839 -5.991 1.00 0.53 C ATOM 426 CG2 ILE A 31 -4.400 7.569 -7.282 1.00 0.72 C ATOM 427 CD1 ILE A 31 -2.681 6.782 -4.866 1.00 0.48 C ATOM 0 H ILE A 31 -1.325 5.181 -8.242 1.00 0.40 H new ATOM 0 HA ILE A 31 -4.242 4.974 -8.231 1.00 0.40 H new ATOM 0 HB ILE A 31 -2.286 7.183 -7.446 1.00 0.41 H new ATOM 0 HG12 ILE A 31 -4.081 5.394 -5.753 1.00 0.53 H new ATOM 0 HG13 ILE A 31 -2.402 5.020 -6.088 1.00 0.53 H new ATOM 0 HG21 ILE A 31 -4.279 8.279 -6.464 1.00 0.72 H new ATOM 0 HG22 ILE A 31 -4.456 8.110 -8.226 1.00 0.72 H new ATOM 0 HG23 ILE A 31 -5.318 7.000 -7.135 1.00 0.72 H new ATOM 0 HD11 ILE A 31 -2.618 6.227 -3.930 1.00 0.48 H new ATOM 0 HD12 ILE A 31 -1.705 7.206 -5.103 1.00 0.48 H new ATOM 0 HD13 ILE A 31 -3.411 7.585 -4.763 1.00 0.48 H new ATOM 439 N GLN A 32 -2.758 7.139 -10.265 1.00 0.42 N ATOM 440 CA GLN A 32 -2.996 7.914 -11.518 1.00 0.47 C ATOM 441 C GLN A 32 -3.341 6.980 -12.688 1.00 0.50 C ATOM 442 O GLN A 32 -3.907 7.401 -13.677 1.00 0.61 O ATOM 443 CB GLN A 32 -1.740 8.719 -11.857 1.00 0.57 C ATOM 444 CG GLN A 32 -2.062 9.735 -12.955 1.00 1.19 C ATOM 445 CD GLN A 32 -0.856 10.652 -13.168 1.00 1.59 C ATOM 446 OE1 GLN A 32 -0.944 11.847 -12.968 1.00 2.16 O ATOM 447 NE2 GLN A 32 0.275 10.139 -13.567 1.00 2.21 N ATOM 0 H GLN A 32 -1.833 7.257 -9.852 1.00 0.42 H new ATOM 0 HA GLN A 32 -3.840 8.585 -11.358 1.00 0.47 H new ATOM 0 HB2 GLN A 32 -1.374 9.233 -10.968 1.00 0.57 H new ATOM 0 HB3 GLN A 32 -0.946 8.050 -12.188 1.00 0.57 H new ATOM 0 HG2 GLN A 32 -2.309 9.219 -13.883 1.00 1.19 H new ATOM 0 HG3 GLN A 32 -2.936 10.324 -12.676 1.00 1.19 H new ATOM 0 HE21 GLN A 32 0.349 9.136 -13.735 1.00 2.21 H new ATOM 0 HE22 GLN A 32 1.086 10.741 -13.711 1.00 2.21 H new ATOM 456 N ASP A 33 -2.992 5.723 -12.596 1.00 0.49 N ATOM 457 CA ASP A 33 -3.285 4.774 -13.713 1.00 0.58 C ATOM 458 C ASP A 33 -4.760 4.354 -13.692 1.00 0.61 C ATOM 459 O ASP A 33 -5.419 4.315 -14.712 1.00 0.70 O ATOM 460 CB ASP A 33 -2.405 3.532 -13.546 1.00 0.61 C ATOM 461 CG ASP A 33 -2.732 2.518 -14.642 1.00 1.10 C ATOM 462 OD1 ASP A 33 -3.344 2.912 -15.622 1.00 1.78 O ATOM 463 OD2 ASP A 33 -2.364 1.366 -14.485 1.00 1.89 O ATOM 0 H ASP A 33 -2.515 5.311 -11.794 1.00 0.49 H new ATOM 0 HA ASP A 33 -3.076 5.265 -14.663 1.00 0.58 H new ATOM 0 HB2 ASP A 33 -1.352 3.811 -13.597 1.00 0.61 H new ATOM 0 HB3 ASP A 33 -2.570 3.087 -12.565 1.00 0.61 H new ATOM 468 N ARG A 34 -5.276 4.028 -12.540 1.00 0.58 N ATOM 469 CA ARG A 34 -6.705 3.595 -12.445 1.00 0.71 C ATOM 470 C ARG A 34 -7.634 4.815 -12.336 1.00 0.65 C ATOM 471 O ARG A 34 -8.837 4.675 -12.402 1.00 0.85 O ATOM 472 CB ARG A 34 -6.879 2.680 -11.219 1.00 0.85 C ATOM 473 CG ARG A 34 -8.326 2.179 -11.120 1.00 1.25 C ATOM 474 CD ARG A 34 -8.418 1.067 -10.069 1.00 1.31 C ATOM 475 NE ARG A 34 -8.022 1.604 -8.736 1.00 1.58 N ATOM 476 CZ ARG A 34 -8.325 0.946 -7.648 1.00 2.09 C ATOM 477 NH1 ARG A 34 -8.982 -0.179 -7.725 1.00 2.58 N ATOM 478 NH2 ARG A 34 -7.973 1.416 -6.482 1.00 2.75 N ATOM 0 H ARG A 34 -4.770 4.042 -11.654 1.00 0.58 H new ATOM 0 HA ARG A 34 -6.972 3.046 -13.348 1.00 0.71 H new ATOM 0 HB2 ARG A 34 -6.199 1.831 -11.292 1.00 0.85 H new ATOM 0 HB3 ARG A 34 -6.614 3.224 -10.312 1.00 0.85 H new ATOM 0 HG2 ARG A 34 -8.988 3.002 -10.851 1.00 1.25 H new ATOM 0 HG3 ARG A 34 -8.659 1.805 -12.088 1.00 1.25 H new ATOM 0 HD2 ARG A 34 -9.434 0.676 -10.027 1.00 1.31 H new ATOM 0 HD3 ARG A 34 -7.768 0.237 -10.345 1.00 1.31 H new ATOM 0 HE ARG A 34 -7.514 2.486 -8.673 1.00 1.58 H new ATOM 0 HH11 ARG A 34 -9.260 -0.546 -8.635 1.00 2.58 H new ATOM 0 HH12 ARG A 34 -9.218 -0.691 -6.875 1.00 2.58 H new ATOM 0 HH21 ARG A 34 -7.462 2.296 -6.420 1.00 2.75 H new ATOM 0 HH22 ARG A 34 -8.209 0.903 -5.633 1.00 2.75 H new ATOM 492 N ALA A 35 -7.124 6.009 -12.194 1.00 0.59 N ATOM 493 CA ALA A 35 -8.068 7.169 -12.108 1.00 0.66 C ATOM 494 C ALA A 35 -8.837 7.257 -13.437 1.00 0.80 C ATOM 495 O ALA A 35 -9.952 7.740 -13.513 1.00 0.88 O ATOM 496 CB ALA A 35 -7.297 8.458 -11.835 1.00 0.94 C ATOM 0 H ALA A 35 -6.130 6.232 -12.135 1.00 0.59 H new ATOM 0 HA ALA A 35 -8.771 7.028 -11.287 1.00 0.66 H new ATOM 0 HB1 ALA A 35 -7.995 9.293 -11.775 1.00 0.94 H new ATOM 0 HB2 ALA A 35 -6.758 8.367 -10.892 1.00 0.94 H new ATOM 0 HB3 ALA A 35 -6.587 8.635 -12.643 1.00 0.94 H new ATOM 502 N GLY A 36 -8.251 6.689 -14.451 1.00 1.15 N ATOM 503 CA GLY A 36 -8.906 6.601 -15.787 1.00 1.62 C ATOM 504 C GLY A 36 -7.946 6.937 -16.930 1.00 1.54 C ATOM 505 O GLY A 36 -6.769 6.638 -16.906 1.00 2.10 O ATOM 0 H GLY A 36 -7.322 6.271 -14.410 1.00 1.15 H new ATOM 0 HA2 GLY A 36 -9.299 5.595 -15.930 1.00 1.62 H new ATOM 0 HA3 GLY A 36 -9.756 7.283 -15.818 1.00 1.62 H new ATOM 509 N ARG A 37 -8.491 7.567 -17.932 1.00 2.07 N ATOM 510 CA ARG A 37 -7.707 7.973 -19.135 1.00 2.87 C ATOM 511 C ARG A 37 -6.994 9.294 -18.855 1.00 3.46 C ATOM 512 O ARG A 37 -5.995 9.619 -19.464 1.00 4.10 O ATOM 513 CB ARG A 37 -8.675 8.177 -20.316 1.00 3.63 C ATOM 514 CG ARG A 37 -9.423 6.870 -20.630 1.00 4.34 C ATOM 515 CD ARG A 37 -8.539 5.940 -21.474 1.00 5.18 C ATOM 516 NE ARG A 37 -9.322 4.735 -21.871 1.00 5.74 N ATOM 517 CZ ARG A 37 -8.869 3.938 -22.801 1.00 6.53 C ATOM 518 NH1 ARG A 37 -7.735 4.202 -23.391 1.00 6.88 N ATOM 519 NH2 ARG A 37 -9.548 2.875 -23.139 1.00 7.21 N ATOM 0 H ARG A 37 -9.477 7.826 -17.969 1.00 2.07 H new ATOM 0 HA ARG A 37 -6.976 7.200 -19.372 1.00 2.87 H new ATOM 0 HB2 ARG A 37 -9.390 8.964 -20.076 1.00 3.63 H new ATOM 0 HB3 ARG A 37 -8.121 8.507 -21.195 1.00 3.63 H new ATOM 0 HG2 ARG A 37 -9.705 6.372 -19.702 1.00 4.34 H new ATOM 0 HG3 ARG A 37 -10.346 7.091 -21.166 1.00 4.34 H new ATOM 0 HD2 ARG A 37 -8.184 6.465 -22.361 1.00 5.18 H new ATOM 0 HD3 ARG A 37 -7.658 5.643 -20.905 1.00 5.18 H new ATOM 0 HE ARG A 37 -10.212 4.533 -21.416 1.00 5.74 H new ATOM 0 HH11 ARG A 37 -7.203 5.031 -23.126 1.00 6.88 H new ATOM 0 HH12 ARG A 37 -7.381 3.580 -24.117 1.00 6.88 H new ATOM 0 HH21 ARG A 37 -10.433 2.667 -22.677 1.00 7.21 H new ATOM 0 HH22 ARG A 37 -9.193 2.253 -23.866 1.00 7.21 H new ATOM 533 N MET A 38 -7.524 10.064 -17.948 1.00 3.74 N ATOM 534 CA MET A 38 -6.910 11.383 -17.626 1.00 4.68 C ATOM 535 C MET A 38 -5.439 11.209 -17.231 1.00 4.70 C ATOM 536 O MET A 38 -5.121 10.892 -16.102 1.00 5.17 O ATOM 537 CB MET A 38 -7.670 12.038 -16.467 1.00 5.62 C ATOM 538 CG MET A 38 -9.185 11.958 -16.711 1.00 5.93 C ATOM 539 SD MET A 38 -9.813 10.392 -16.054 1.00 6.79 S ATOM 540 CE MET A 38 -11.113 10.126 -17.283 1.00 7.04 C ATOM 0 H MET A 38 -8.361 9.836 -17.412 1.00 3.74 H new ATOM 0 HA MET A 38 -6.967 12.017 -18.511 1.00 4.68 H new ATOM 0 HB2 MET A 38 -7.419 11.540 -15.531 1.00 5.62 H new ATOM 0 HB3 MET A 38 -7.365 13.080 -16.366 1.00 5.62 H new ATOM 0 HG2 MET A 38 -9.688 12.796 -16.228 1.00 5.93 H new ATOM 0 HG3 MET A 38 -9.398 12.030 -17.778 1.00 5.93 H new ATOM 0 HE1 MET A 38 -11.637 9.196 -17.063 1.00 7.04 H new ATOM 0 HE2 MET A 38 -11.818 10.956 -17.252 1.00 7.04 H new ATOM 0 HE3 MET A 38 -10.668 10.065 -18.276 1.00 7.04 H new ATOM 550 N GLY A 39 -4.540 11.449 -18.152 1.00 4.57 N ATOM 551 CA GLY A 39 -3.078 11.341 -17.844 1.00 4.85 C ATOM 552 C GLY A 39 -2.544 12.758 -17.667 1.00 4.67 C ATOM 553 O GLY A 39 -1.698 13.027 -16.837 1.00 4.95 O ATOM 0 H GLY A 39 -4.756 11.717 -19.112 1.00 4.57 H new ATOM 0 HA2 GLY A 39 -2.919 10.755 -16.939 1.00 4.85 H new ATOM 0 HA3 GLY A 39 -2.552 10.831 -18.651 1.00 4.85 H new ATOM 557 N GLY A 40 -3.044 13.657 -18.470 1.00 4.58 N ATOM 558 CA GLY A 40 -2.608 15.081 -18.405 1.00 4.69 C ATOM 559 C GLY A 40 -2.596 15.580 -16.951 1.00 4.20 C ATOM 560 O GLY A 40 -2.177 16.687 -16.679 1.00 4.34 O ATOM 0 H GLY A 40 -3.749 13.461 -19.181 1.00 4.58 H new ATOM 0 HA2 GLY A 40 -1.613 15.182 -18.837 1.00 4.69 H new ATOM 0 HA3 GLY A 40 -3.279 15.699 -19.001 1.00 4.69 H new ATOM 564 N GLU A 41 -3.046 14.784 -16.011 1.00 4.01 N ATOM 565 CA GLU A 41 -3.038 15.241 -14.594 1.00 3.88 C ATOM 566 C GLU A 41 -1.622 15.700 -14.239 1.00 3.63 C ATOM 567 O GLU A 41 -0.667 15.352 -14.906 1.00 4.16 O ATOM 568 CB GLU A 41 -3.474 14.096 -13.677 1.00 4.26 C ATOM 569 CG GLU A 41 -3.644 14.620 -12.250 1.00 4.51 C ATOM 570 CD GLU A 41 -4.262 13.528 -11.377 1.00 4.90 C ATOM 571 OE1 GLU A 41 -5.156 12.849 -11.856 1.00 5.19 O ATOM 572 OE2 GLU A 41 -3.832 13.389 -10.244 1.00 5.28 O ATOM 0 H GLU A 41 -3.415 13.846 -16.166 1.00 4.01 H new ATOM 0 HA GLU A 41 -3.734 16.069 -14.462 1.00 3.88 H new ATOM 0 HB2 GLU A 41 -4.411 13.668 -14.033 1.00 4.26 H new ATOM 0 HB3 GLU A 41 -2.732 13.298 -13.696 1.00 4.26 H new ATOM 0 HG2 GLU A 41 -2.678 14.922 -11.844 1.00 4.51 H new ATOM 0 HG3 GLU A 41 -4.281 15.505 -12.249 1.00 4.51 H new ATOM 579 N ALA A 42 -1.476 16.492 -13.211 1.00 3.19 N ATOM 580 CA ALA A 42 -0.127 17.001 -12.830 1.00 3.24 C ATOM 581 C ALA A 42 -0.267 18.124 -11.775 1.00 2.77 C ATOM 582 O ALA A 42 0.443 18.107 -10.788 1.00 3.06 O ATOM 583 CB ALA A 42 0.612 17.573 -14.075 1.00 4.08 C ATOM 0 H ALA A 42 -2.240 16.811 -12.614 1.00 3.19 H new ATOM 0 HA ALA A 42 0.447 16.171 -12.418 1.00 3.24 H new ATOM 0 HB1 ALA A 42 1.595 17.940 -13.778 1.00 4.08 H new ATOM 0 HB2 ALA A 42 0.728 16.788 -14.822 1.00 4.08 H new ATOM 0 HB3 ALA A 42 0.031 18.393 -14.498 1.00 4.08 H new ATOM 589 N PRO A 43 -1.132 19.104 -12.021 1.00 2.70 N ATOM 590 CA PRO A 43 -1.267 20.240 -11.091 1.00 3.03 C ATOM 591 C PRO A 43 -1.606 19.754 -9.676 1.00 2.67 C ATOM 592 O PRO A 43 -1.433 20.472 -8.710 1.00 2.87 O ATOM 593 CB PRO A 43 -2.389 21.123 -11.686 1.00 3.84 C ATOM 594 CG PRO A 43 -2.824 20.484 -13.035 1.00 3.86 C ATOM 595 CD PRO A 43 -2.031 19.169 -13.205 1.00 3.12 C ATOM 0 HA PRO A 43 -0.338 20.801 -10.990 1.00 3.03 H new ATOM 0 HB2 PRO A 43 -3.234 21.182 -11.000 1.00 3.84 H new ATOM 0 HB3 PRO A 43 -2.033 22.141 -11.842 1.00 3.84 H new ATOM 0 HG2 PRO A 43 -3.896 20.288 -13.038 1.00 3.86 H new ATOM 0 HG3 PRO A 43 -2.622 21.163 -13.863 1.00 3.86 H new ATOM 0 HD2 PRO A 43 -2.698 18.308 -13.241 1.00 3.12 H new ATOM 0 HD3 PRO A 43 -1.461 19.170 -14.134 1.00 3.12 H new ATOM 603 N GLU A 44 -2.080 18.547 -9.539 1.00 2.45 N ATOM 604 CA GLU A 44 -2.419 18.033 -8.177 1.00 2.23 C ATOM 605 C GLU A 44 -1.151 17.489 -7.531 1.00 1.75 C ATOM 606 O GLU A 44 -0.572 18.104 -6.657 1.00 2.00 O ATOM 607 CB GLU A 44 -3.500 16.922 -8.262 1.00 2.55 C ATOM 608 CG GLU A 44 -4.145 16.923 -9.644 1.00 2.70 C ATOM 609 CD GLU A 44 -4.762 18.294 -9.926 1.00 3.17 C ATOM 610 OE1 GLU A 44 -5.069 18.992 -8.973 1.00 3.77 O ATOM 611 OE2 GLU A 44 -4.918 18.624 -11.091 1.00 3.42 O ATOM 0 H GLU A 44 -2.248 17.895 -10.305 1.00 2.45 H new ATOM 0 HA GLU A 44 -2.823 18.845 -7.573 1.00 2.23 H new ATOM 0 HB2 GLU A 44 -3.050 15.950 -8.063 1.00 2.55 H new ATOM 0 HB3 GLU A 44 -4.260 17.084 -7.497 1.00 2.55 H new ATOM 0 HG2 GLU A 44 -3.400 16.686 -10.403 1.00 2.70 H new ATOM 0 HG3 GLU A 44 -4.912 16.151 -9.698 1.00 2.70 H new ATOM 618 N LEU A 45 -0.715 16.344 -7.953 1.00 1.80 N ATOM 619 CA LEU A 45 0.509 15.771 -7.362 1.00 1.80 C ATOM 620 C LEU A 45 1.719 16.570 -7.850 1.00 2.29 C ATOM 621 O LEU A 45 2.556 16.985 -7.074 1.00 3.01 O ATOM 622 CB LEU A 45 0.643 14.291 -7.764 1.00 2.23 C ATOM 623 CG LEU A 45 0.440 14.104 -9.304 1.00 2.52 C ATOM 624 CD1 LEU A 45 1.762 13.705 -9.975 1.00 3.22 C ATOM 625 CD2 LEU A 45 -0.598 13.002 -9.575 1.00 3.00 C ATOM 0 H LEU A 45 -1.155 15.782 -8.682 1.00 1.80 H new ATOM 0 HA LEU A 45 0.456 15.827 -6.275 1.00 1.80 H new ATOM 0 HB2 LEU A 45 1.627 13.921 -7.476 1.00 2.23 H new ATOM 0 HB3 LEU A 45 -0.092 13.696 -7.222 1.00 2.23 H new ATOM 0 HG LEU A 45 0.091 15.051 -9.714 1.00 2.52 H new ATOM 0 HD11 LEU A 45 1.603 13.579 -11.046 1.00 3.22 H new ATOM 0 HD12 LEU A 45 2.505 14.485 -9.808 1.00 3.22 H new ATOM 0 HD13 LEU A 45 2.118 12.767 -9.548 1.00 3.22 H new ATOM 0 HD21 LEU A 45 -0.729 12.882 -10.650 1.00 3.00 H new ATOM 0 HD22 LEU A 45 -0.252 12.062 -9.145 1.00 3.00 H new ATOM 0 HD23 LEU A 45 -1.550 13.279 -9.122 1.00 3.00 H new ATOM 637 N ALA A 46 1.823 16.768 -9.136 1.00 2.46 N ATOM 638 CA ALA A 46 2.984 17.519 -9.692 1.00 3.15 C ATOM 639 C ALA A 46 4.276 16.839 -9.240 1.00 2.91 C ATOM 640 O ALA A 46 4.759 17.059 -8.148 1.00 3.07 O ATOM 641 CB ALA A 46 2.959 18.969 -9.200 1.00 4.05 C ATOM 0 H ALA A 46 1.150 16.440 -9.829 1.00 2.46 H new ATOM 0 HA ALA A 46 2.929 17.521 -10.781 1.00 3.15 H new ATOM 0 HB1 ALA A 46 3.812 19.508 -9.613 1.00 4.05 H new ATOM 0 HB2 ALA A 46 2.035 19.448 -9.525 1.00 4.05 H new ATOM 0 HB3 ALA A 46 3.012 18.985 -8.111 1.00 4.05 H new ATOM 647 N LEU A 47 4.834 16.005 -10.077 1.00 3.18 N ATOM 648 CA LEU A 47 6.094 15.290 -9.714 1.00 3.43 C ATOM 649 C LEU A 47 6.982 15.212 -10.970 1.00 3.14 C ATOM 650 O LEU A 47 7.293 16.224 -11.565 1.00 3.51 O ATOM 651 CB LEU A 47 5.718 13.888 -9.183 1.00 4.05 C ATOM 652 CG LEU A 47 6.699 13.425 -8.086 1.00 4.77 C ATOM 653 CD1 LEU A 47 8.137 13.421 -8.629 1.00 5.26 C ATOM 654 CD2 LEU A 47 6.597 14.349 -6.847 1.00 5.35 C ATOM 0 H LEU A 47 4.468 15.786 -11.004 1.00 3.18 H new ATOM 0 HA LEU A 47 6.650 15.812 -8.935 1.00 3.43 H new ATOM 0 HB2 LEU A 47 4.704 13.908 -8.783 1.00 4.05 H new ATOM 0 HB3 LEU A 47 5.723 13.172 -10.005 1.00 4.05 H new ATOM 0 HG LEU A 47 6.434 12.411 -7.786 1.00 4.77 H new ATOM 0 HD11 LEU A 47 8.821 13.093 -7.846 1.00 5.26 H new ATOM 0 HD12 LEU A 47 8.204 12.740 -9.478 1.00 5.26 H new ATOM 0 HD13 LEU A 47 8.408 14.427 -8.949 1.00 5.26 H new ATOM 0 HD21 LEU A 47 7.295 14.010 -6.082 1.00 5.35 H new ATOM 0 HD22 LEU A 47 6.842 15.371 -7.134 1.00 5.35 H new ATOM 0 HD23 LEU A 47 5.582 14.317 -6.452 1.00 5.35 H new ATOM 666 N ASP A 48 7.393 14.042 -11.394 1.00 3.02 N ATOM 667 CA ASP A 48 8.246 13.953 -12.617 1.00 3.07 C ATOM 668 C ASP A 48 8.027 12.579 -13.290 1.00 2.77 C ATOM 669 O ASP A 48 7.752 11.618 -12.600 1.00 2.85 O ATOM 670 CB ASP A 48 9.714 14.093 -12.207 1.00 3.61 C ATOM 671 CG ASP A 48 9.987 15.539 -11.789 1.00 4.22 C ATOM 672 OD1 ASP A 48 9.906 16.406 -12.643 1.00 4.69 O ATOM 673 OD2 ASP A 48 10.268 15.755 -10.622 1.00 4.68 O ATOM 0 H ASP A 48 7.176 13.151 -10.948 1.00 3.02 H new ATOM 0 HA ASP A 48 7.981 14.746 -13.317 1.00 3.07 H new ATOM 0 HB2 ASP A 48 9.940 13.416 -11.383 1.00 3.61 H new ATOM 0 HB3 ASP A 48 10.363 13.813 -13.037 1.00 3.61 H new ATOM 678 N PRO A 49 8.158 12.497 -14.608 1.00 3.11 N ATOM 679 CA PRO A 49 7.983 11.208 -15.317 1.00 3.40 C ATOM 680 C PRO A 49 9.057 10.205 -14.856 1.00 3.08 C ATOM 681 O PRO A 49 8.802 9.024 -14.737 1.00 3.32 O ATOM 682 CB PRO A 49 8.154 11.551 -16.819 1.00 4.36 C ATOM 683 CG PRO A 49 8.537 13.056 -16.915 1.00 4.66 C ATOM 684 CD PRO A 49 8.471 13.647 -15.489 1.00 3.86 C ATOM 0 HA PRO A 49 7.015 10.748 -15.117 1.00 3.40 H new ATOM 0 HB2 PRO A 49 8.928 10.929 -17.268 1.00 4.36 H new ATOM 0 HB3 PRO A 49 7.231 11.355 -17.364 1.00 4.36 H new ATOM 0 HG2 PRO A 49 9.538 13.171 -17.331 1.00 4.66 H new ATOM 0 HG3 PRO A 49 7.853 13.583 -17.580 1.00 4.66 H new ATOM 0 HD2 PRO A 49 9.417 14.111 -15.210 1.00 3.86 H new ATOM 0 HD3 PRO A 49 7.704 14.419 -15.417 1.00 3.86 H new ATOM 692 N VAL A 50 10.255 10.683 -14.633 1.00 3.08 N ATOM 693 CA VAL A 50 11.389 9.801 -14.207 1.00 3.10 C ATOM 694 C VAL A 50 11.676 8.763 -15.321 1.00 2.75 C ATOM 695 O VAL A 50 10.832 7.925 -15.570 1.00 2.91 O ATOM 696 CB VAL A 50 11.036 9.064 -12.909 1.00 3.88 C ATOM 697 CG1 VAL A 50 12.251 8.262 -12.440 1.00 4.44 C ATOM 698 CG2 VAL A 50 10.666 10.088 -11.836 1.00 4.50 C ATOM 0 H VAL A 50 10.502 11.668 -14.730 1.00 3.08 H new ATOM 0 HA VAL A 50 12.270 10.419 -14.034 1.00 3.10 H new ATOM 0 HB VAL A 50 10.196 8.392 -13.083 1.00 3.88 H new ATOM 0 HG11 VAL A 50 12.006 7.736 -11.517 1.00 4.44 H new ATOM 0 HG12 VAL A 50 12.528 7.539 -13.207 1.00 4.44 H new ATOM 0 HG13 VAL A 50 13.086 8.939 -12.261 1.00 4.44 H new ATOM 0 HG21 VAL A 50 10.414 9.570 -10.911 1.00 4.50 H new ATOM 0 HG22 VAL A 50 11.512 10.753 -11.661 1.00 4.50 H new ATOM 0 HG23 VAL A 50 9.808 10.672 -12.170 1.00 4.50 H new ATOM 708 N PRO A 51 12.828 8.825 -15.980 1.00 2.91 N ATOM 709 CA PRO A 51 13.133 7.862 -17.060 1.00 3.22 C ATOM 710 C PRO A 51 13.159 6.422 -16.519 1.00 2.93 C ATOM 711 O PRO A 51 12.944 6.177 -15.349 1.00 3.37 O ATOM 712 CB PRO A 51 14.525 8.283 -17.597 1.00 4.09 C ATOM 713 CG PRO A 51 15.004 9.500 -16.755 1.00 4.27 C ATOM 714 CD PRO A 51 13.895 9.821 -15.726 1.00 3.50 C ATOM 0 HA PRO A 51 12.377 7.876 -17.845 1.00 3.22 H new ATOM 0 HB2 PRO A 51 15.233 7.458 -17.515 1.00 4.09 H new ATOM 0 HB3 PRO A 51 14.464 8.547 -18.653 1.00 4.09 H new ATOM 0 HG2 PRO A 51 15.942 9.270 -16.249 1.00 4.27 H new ATOM 0 HG3 PRO A 51 15.191 10.360 -17.397 1.00 4.27 H new ATOM 0 HD2 PRO A 51 14.271 9.744 -14.706 1.00 3.50 H new ATOM 0 HD3 PRO A 51 13.523 10.838 -15.853 1.00 3.50 H new ATOM 722 N GLN A 52 13.421 5.482 -17.389 1.00 2.70 N ATOM 723 CA GLN A 52 13.477 4.046 -16.981 1.00 2.85 C ATOM 724 C GLN A 52 12.122 3.609 -16.412 1.00 2.14 C ATOM 725 O GLN A 52 11.301 3.046 -17.109 1.00 2.38 O ATOM 726 CB GLN A 52 14.575 3.856 -15.928 1.00 3.67 C ATOM 727 CG GLN A 52 14.822 2.364 -15.702 1.00 4.37 C ATOM 728 CD GLN A 52 15.861 2.185 -14.593 1.00 5.22 C ATOM 729 OE1 GLN A 52 16.905 2.805 -14.618 1.00 5.74 O ATOM 730 NE2 GLN A 52 15.617 1.358 -13.614 1.00 5.74 N ATOM 0 H GLN A 52 13.601 5.651 -18.379 1.00 2.70 H new ATOM 0 HA GLN A 52 13.705 3.433 -17.853 1.00 2.85 H new ATOM 0 HB2 GLN A 52 15.494 4.341 -16.256 1.00 3.67 H new ATOM 0 HB3 GLN A 52 14.281 4.331 -14.992 1.00 3.67 H new ATOM 0 HG2 GLN A 52 13.891 1.867 -15.428 1.00 4.37 H new ATOM 0 HG3 GLN A 52 15.173 1.898 -16.623 1.00 4.37 H new ATOM 0 HE21 GLN A 52 14.740 0.837 -13.593 1.00 5.74 H new ATOM 0 HE22 GLN A 52 16.303 1.232 -12.870 1.00 5.74 H new ATOM 739 N ASP A 53 11.878 3.863 -15.154 1.00 1.78 N ATOM 740 CA ASP A 53 10.574 3.462 -14.548 1.00 1.30 C ATOM 741 C ASP A 53 10.221 2.027 -14.957 1.00 1.07 C ATOM 742 O ASP A 53 9.075 1.627 -14.914 1.00 1.19 O ATOM 743 CB ASP A 53 9.477 4.411 -15.033 1.00 1.65 C ATOM 744 CG ASP A 53 9.656 5.778 -14.370 1.00 2.27 C ATOM 745 OD1 ASP A 53 10.757 6.059 -13.927 1.00 2.91 O ATOM 746 OD2 ASP A 53 8.689 6.519 -14.318 1.00 2.80 O ATOM 0 H ASP A 53 12.525 4.331 -14.519 1.00 1.78 H new ATOM 0 HA ASP A 53 10.655 3.513 -13.462 1.00 1.30 H new ATOM 0 HB2 ASP A 53 9.522 4.512 -16.117 1.00 1.65 H new ATOM 0 HB3 ASP A 53 8.495 4.003 -14.791 1.00 1.65 H new ATOM 751 N ALA A 54 11.192 1.250 -15.356 1.00 0.91 N ATOM 752 CA ALA A 54 10.898 -0.153 -15.767 1.00 0.84 C ATOM 753 C ALA A 54 10.594 -0.998 -14.528 1.00 0.76 C ATOM 754 O ALA A 54 9.787 -1.905 -14.565 1.00 0.75 O ATOM 755 CB ALA A 54 12.111 -0.738 -16.493 1.00 0.95 C ATOM 0 H ALA A 54 12.173 1.525 -15.415 1.00 0.91 H new ATOM 0 HA ALA A 54 10.035 -0.160 -16.433 1.00 0.84 H new ATOM 0 HB1 ALA A 54 11.896 -1.763 -16.793 1.00 0.95 H new ATOM 0 HB2 ALA A 54 12.329 -0.139 -17.377 1.00 0.95 H new ATOM 0 HB3 ALA A 54 12.973 -0.729 -15.826 1.00 0.95 H new ATOM 761 N SER A 55 11.228 -0.699 -13.428 1.00 0.75 N ATOM 762 CA SER A 55 10.972 -1.473 -12.182 1.00 0.71 C ATOM 763 C SER A 55 9.584 -1.128 -11.647 1.00 0.66 C ATOM 764 O SER A 55 8.835 -1.991 -11.235 1.00 0.66 O ATOM 765 CB SER A 55 12.019 -1.104 -11.132 1.00 0.76 C ATOM 766 OG SER A 55 13.309 -1.455 -11.615 1.00 1.37 O ATOM 0 H SER A 55 11.914 0.050 -13.339 1.00 0.75 H new ATOM 0 HA SER A 55 11.028 -2.540 -12.399 1.00 0.71 H new ATOM 0 HB2 SER A 55 11.976 -0.036 -10.918 1.00 0.76 H new ATOM 0 HB3 SER A 55 11.813 -1.625 -10.197 1.00 0.76 H new ATOM 0 HG SER A 55 13.984 -1.219 -10.945 1.00 1.37 H new ATOM 772 N THR A 56 9.243 0.132 -11.625 1.00 0.65 N ATOM 773 CA THR A 56 7.912 0.526 -11.086 1.00 0.62 C ATOM 774 C THR A 56 6.816 0.209 -12.108 1.00 0.59 C ATOM 775 O THR A 56 5.656 0.092 -11.765 1.00 0.57 O ATOM 776 CB THR A 56 7.896 2.032 -10.797 1.00 0.67 C ATOM 777 OG1 THR A 56 8.480 2.722 -11.893 1.00 1.09 O ATOM 778 CG2 THR A 56 8.681 2.353 -9.523 1.00 1.06 C ATOM 0 H THR A 56 9.826 0.901 -11.955 1.00 0.65 H new ATOM 0 HA THR A 56 7.729 -0.032 -10.168 1.00 0.62 H new ATOM 0 HB THR A 56 6.863 2.349 -10.656 1.00 0.67 H new ATOM 0 HG1 THR A 56 8.471 3.686 -11.715 1.00 1.09 H new ATOM 0 HG21 THR A 56 8.654 3.427 -9.340 1.00 1.06 H new ATOM 0 HG22 THR A 56 8.233 1.830 -8.678 1.00 1.06 H new ATOM 0 HG23 THR A 56 9.715 2.031 -9.642 1.00 1.06 H new ATOM 786 N LYS A 57 7.161 0.090 -13.362 1.00 0.61 N ATOM 787 CA LYS A 57 6.114 -0.192 -14.382 1.00 0.59 C ATOM 788 C LYS A 57 5.607 -1.629 -14.216 1.00 0.54 C ATOM 789 O LYS A 57 4.426 -1.897 -14.337 1.00 0.52 O ATOM 790 CB LYS A 57 6.694 0.007 -15.787 1.00 0.65 C ATOM 791 CG LYS A 57 5.676 -0.440 -16.839 1.00 1.20 C ATOM 792 CD LYS A 57 6.126 0.038 -18.224 1.00 1.33 C ATOM 793 CE LYS A 57 7.490 -0.569 -18.568 1.00 1.94 C ATOM 794 NZ LYS A 57 7.716 -0.487 -20.039 1.00 2.73 N ATOM 0 H LYS A 57 8.112 0.175 -13.720 1.00 0.61 H new ATOM 0 HA LYS A 57 5.279 0.495 -14.245 1.00 0.59 H new ATOM 0 HB2 LYS A 57 6.950 1.055 -15.939 1.00 0.65 H new ATOM 0 HB3 LYS A 57 7.616 -0.565 -15.894 1.00 0.65 H new ATOM 0 HG2 LYS A 57 5.582 -1.526 -16.831 1.00 1.20 H new ATOM 0 HG3 LYS A 57 4.692 -0.033 -16.604 1.00 1.20 H new ATOM 0 HD2 LYS A 57 5.390 -0.251 -18.975 1.00 1.33 H new ATOM 0 HD3 LYS A 57 6.188 1.126 -18.240 1.00 1.33 H new ATOM 0 HE2 LYS A 57 8.280 -0.037 -18.038 1.00 1.94 H new ATOM 0 HE3 LYS A 57 7.530 -1.608 -18.241 1.00 1.94 H new ATOM 0 HZ1 LYS A 57 8.642 -0.899 -20.271 1.00 2.73 H new ATOM 0 HZ2 LYS A 57 6.968 -1.013 -20.535 1.00 2.73 H new ATOM 0 HZ3 LYS A 57 7.695 0.509 -20.338 1.00 2.73 H new ATOM 808 N LYS A 58 6.481 -2.558 -13.931 1.00 0.55 N ATOM 809 CA LYS A 58 6.028 -3.968 -13.754 1.00 0.53 C ATOM 810 C LYS A 58 5.327 -4.089 -12.395 1.00 0.48 C ATOM 811 O LYS A 58 4.260 -4.663 -12.289 1.00 0.46 O ATOM 812 CB LYS A 58 7.252 -4.898 -13.830 1.00 0.56 C ATOM 813 CG LYS A 58 6.913 -6.309 -13.333 1.00 0.78 C ATOM 814 CD LYS A 58 5.755 -6.884 -14.146 1.00 0.96 C ATOM 815 CE LYS A 58 5.627 -8.379 -13.852 1.00 0.85 C ATOM 816 NZ LYS A 58 6.763 -9.111 -14.485 1.00 1.75 N ATOM 0 H LYS A 58 7.482 -2.403 -13.814 1.00 0.55 H new ATOM 0 HA LYS A 58 5.327 -4.254 -14.538 1.00 0.53 H new ATOM 0 HB2 LYS A 58 7.609 -4.949 -14.859 1.00 0.56 H new ATOM 0 HB3 LYS A 58 8.063 -4.484 -13.231 1.00 0.56 H new ATOM 0 HG2 LYS A 58 7.787 -6.955 -13.422 1.00 0.78 H new ATOM 0 HG3 LYS A 58 6.646 -6.277 -12.277 1.00 0.78 H new ATOM 0 HD2 LYS A 58 4.827 -6.371 -13.893 1.00 0.96 H new ATOM 0 HD3 LYS A 58 5.928 -6.724 -15.210 1.00 0.96 H new ATOM 0 HE2 LYS A 58 5.626 -8.550 -12.775 1.00 0.85 H new ATOM 0 HE3 LYS A 58 4.679 -8.756 -14.236 1.00 0.85 H new ATOM 0 HZ1 LYS A 58 6.496 -10.106 -14.632 1.00 1.75 H new ATOM 0 HZ2 LYS A 58 6.990 -8.675 -15.401 1.00 1.75 H new ATOM 0 HZ3 LYS A 58 7.596 -9.064 -13.864 1.00 1.75 H new ATOM 830 N LEU A 59 5.914 -3.567 -11.353 1.00 0.50 N ATOM 831 CA LEU A 59 5.266 -3.680 -10.012 1.00 0.47 C ATOM 832 C LEU A 59 3.909 -2.952 -10.041 1.00 0.43 C ATOM 833 O LEU A 59 3.002 -3.262 -9.291 1.00 0.42 O ATOM 834 CB LEU A 59 6.178 -3.039 -8.942 1.00 0.53 C ATOM 835 CG LEU A 59 6.986 -4.080 -8.142 1.00 0.71 C ATOM 836 CD1 LEU A 59 7.940 -3.296 -7.240 1.00 1.07 C ATOM 837 CD2 LEU A 59 6.049 -4.913 -7.249 1.00 1.34 C ATOM 0 H LEU A 59 6.805 -3.072 -11.369 1.00 0.50 H new ATOM 0 HA LEU A 59 5.110 -4.731 -9.767 1.00 0.47 H new ATOM 0 HB2 LEU A 59 6.866 -2.346 -9.426 1.00 0.53 H new ATOM 0 HB3 LEU A 59 5.567 -2.454 -8.254 1.00 0.53 H new ATOM 0 HG LEU A 59 7.515 -4.752 -8.818 1.00 0.71 H new ATOM 0 HD11 LEU A 59 8.537 -3.991 -6.650 1.00 1.07 H new ATOM 0 HD12 LEU A 59 8.599 -2.682 -7.854 1.00 1.07 H new ATOM 0 HD13 LEU A 59 7.365 -2.655 -6.572 1.00 1.07 H new ATOM 0 HD21 LEU A 59 6.634 -5.644 -6.690 1.00 1.34 H new ATOM 0 HD22 LEU A 59 5.530 -4.255 -6.553 1.00 1.34 H new ATOM 0 HD23 LEU A 59 5.319 -5.431 -7.871 1.00 1.34 H new ATOM 849 N SER A 60 3.766 -2.007 -10.928 1.00 0.43 N ATOM 850 CA SER A 60 2.477 -1.271 -11.048 1.00 0.42 C ATOM 851 C SER A 60 1.455 -2.203 -11.693 1.00 0.39 C ATOM 852 O SER A 60 0.272 -2.119 -11.429 1.00 0.41 O ATOM 853 CB SER A 60 2.681 -0.051 -11.947 1.00 0.47 C ATOM 854 OG SER A 60 3.417 0.937 -11.238 1.00 1.36 O ATOM 0 H SER A 60 4.493 -1.711 -11.580 1.00 0.43 H new ATOM 0 HA SER A 60 2.130 -0.947 -10.067 1.00 0.42 H new ATOM 0 HB2 SER A 60 3.214 -0.338 -12.853 1.00 0.47 H new ATOM 0 HB3 SER A 60 1.717 0.351 -12.258 1.00 0.47 H new ATOM 0 HG SER A 60 4.377 0.770 -11.345 1.00 1.36 H new ATOM 860 N GLU A 61 1.898 -3.090 -12.540 1.00 0.38 N ATOM 861 CA GLU A 61 0.936 -4.018 -13.200 1.00 0.38 C ATOM 862 C GLU A 61 0.406 -5.013 -12.165 1.00 0.38 C ATOM 863 O GLU A 61 -0.697 -5.510 -12.280 1.00 0.41 O ATOM 864 CB GLU A 61 1.627 -4.755 -14.347 1.00 0.39 C ATOM 865 CG GLU A 61 0.617 -5.635 -15.085 1.00 1.06 C ATOM 866 CD GLU A 61 1.314 -6.323 -16.261 1.00 1.67 C ATOM 867 OE1 GLU A 61 2.027 -7.284 -16.021 1.00 2.25 O ATOM 868 OE2 GLU A 61 1.127 -5.875 -17.380 1.00 2.40 O ATOM 0 H GLU A 61 2.876 -3.213 -12.803 1.00 0.38 H new ATOM 0 HA GLU A 61 0.100 -3.451 -13.610 1.00 0.38 H new ATOM 0 HB2 GLU A 61 2.070 -4.037 -15.038 1.00 0.39 H new ATOM 0 HB3 GLU A 61 2.441 -5.368 -13.959 1.00 0.39 H new ATOM 0 HG2 GLU A 61 0.202 -6.380 -14.406 1.00 1.06 H new ATOM 0 HG3 GLU A 61 -0.216 -5.031 -15.444 1.00 1.06 H new ATOM 875 N CYS A 62 1.160 -5.283 -11.138 1.00 0.37 N ATOM 876 CA CYS A 62 0.667 -6.217 -10.084 1.00 0.39 C ATOM 877 C CYS A 62 -0.499 -5.546 -9.349 1.00 0.38 C ATOM 878 O CYS A 62 -1.556 -6.122 -9.191 1.00 0.44 O ATOM 879 CB CYS A 62 1.795 -6.519 -9.098 1.00 0.41 C ATOM 880 SG CYS A 62 3.191 -7.256 -9.985 1.00 1.62 S ATOM 0 H CYS A 62 2.092 -4.901 -10.981 1.00 0.37 H new ATOM 0 HA CYS A 62 0.335 -7.152 -10.535 1.00 0.39 H new ATOM 0 HB2 CYS A 62 2.111 -5.603 -8.598 1.00 0.41 H new ATOM 0 HB3 CYS A 62 1.443 -7.200 -8.323 1.00 0.41 H new ATOM 0 HG CYS A 62 3.656 -6.403 -10.849 1.00 1.62 H new ATOM 886 N LEU A 63 -0.330 -4.320 -8.933 1.00 0.35 N ATOM 887 CA LEU A 63 -1.441 -3.592 -8.249 1.00 0.36 C ATOM 888 C LEU A 63 -2.670 -3.558 -9.166 1.00 0.36 C ATOM 889 O LEU A 63 -3.796 -3.477 -8.714 1.00 0.41 O ATOM 890 CB LEU A 63 -0.969 -2.164 -7.951 1.00 0.38 C ATOM 891 CG LEU A 63 0.217 -2.210 -6.968 1.00 0.69 C ATOM 892 CD1 LEU A 63 0.859 -0.824 -6.877 1.00 1.39 C ATOM 893 CD2 LEU A 63 -0.263 -2.627 -5.564 1.00 1.11 C ATOM 0 H LEU A 63 0.534 -3.788 -9.037 1.00 0.35 H new ATOM 0 HA LEU A 63 -1.711 -4.095 -7.320 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -0.671 -1.668 -8.875 1.00 0.38 H new ATOM 0 HB3 LEU A 63 -1.786 -1.581 -7.525 1.00 0.38 H new ATOM 0 HG LEU A 63 0.941 -2.938 -7.332 1.00 0.69 H new ATOM 0 HD11 LEU A 63 1.698 -0.857 -6.182 1.00 1.39 H new ATOM 0 HD12 LEU A 63 1.216 -0.523 -7.862 1.00 1.39 H new ATOM 0 HD13 LEU A 63 0.122 -0.104 -6.522 1.00 1.39 H new ATOM 0 HD21 LEU A 63 0.587 -2.655 -4.882 1.00 1.11 H new ATOM 0 HD22 LEU A 63 -0.996 -1.907 -5.201 1.00 1.11 H new ATOM 0 HD23 LEU A 63 -0.720 -3.615 -5.614 1.00 1.11 H new ATOM 905 N LYS A 64 -2.458 -3.605 -10.453 1.00 0.35 N ATOM 906 CA LYS A 64 -3.612 -3.559 -11.409 1.00 0.37 C ATOM 907 C LYS A 64 -4.155 -4.971 -11.668 1.00 0.39 C ATOM 908 O LYS A 64 -5.345 -5.163 -11.821 1.00 0.43 O ATOM 909 CB LYS A 64 -3.158 -2.926 -12.737 1.00 0.38 C ATOM 910 CG LYS A 64 -3.143 -1.375 -12.630 1.00 0.82 C ATOM 911 CD LYS A 64 -4.343 -0.764 -13.376 1.00 1.35 C ATOM 912 CE LYS A 64 -5.649 -1.154 -12.680 1.00 1.38 C ATOM 913 NZ LYS A 64 -5.594 -0.746 -11.247 1.00 2.09 N ATOM 0 H LYS A 64 -1.538 -3.673 -10.888 1.00 0.35 H new ATOM 0 HA LYS A 64 -4.406 -2.956 -10.969 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -2.163 -3.287 -12.996 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -3.828 -3.234 -13.540 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.171 -1.078 -11.582 1.00 0.82 H new ATOM 0 HG3 LYS A 64 -2.214 -0.986 -13.047 1.00 0.82 H new ATOM 0 HD2 LYS A 64 -4.248 0.321 -13.406 1.00 1.35 H new ATOM 0 HD3 LYS A 64 -4.354 -1.112 -14.409 1.00 1.35 H new ATOM 0 HE2 LYS A 64 -6.493 -0.673 -13.173 1.00 1.38 H new ATOM 0 HE3 LYS A 64 -5.806 -2.230 -12.756 1.00 1.38 H new ATOM 0 HZ1 LYS A 64 -6.531 -0.871 -10.814 1.00 2.09 H new ATOM 0 HZ2 LYS A 64 -4.899 -1.335 -10.745 1.00 2.09 H new ATOM 0 HZ3 LYS A 64 -5.313 0.253 -11.181 1.00 2.09 H new ATOM 927 N ARG A 65 -3.303 -5.956 -11.733 1.00 0.43 N ATOM 928 CA ARG A 65 -3.786 -7.341 -12.002 1.00 0.47 C ATOM 929 C ARG A 65 -4.473 -7.913 -10.757 1.00 0.50 C ATOM 930 O ARG A 65 -5.543 -8.488 -10.833 1.00 0.54 O ATOM 931 CB ARG A 65 -2.588 -8.213 -12.374 1.00 0.45 C ATOM 932 CG ARG A 65 -3.071 -9.522 -12.997 1.00 0.94 C ATOM 933 CD ARG A 65 -1.859 -10.354 -13.419 1.00 1.55 C ATOM 934 NE ARG A 65 -2.313 -11.536 -14.201 1.00 1.86 N ATOM 935 CZ ARG A 65 -1.456 -12.214 -14.914 1.00 2.39 C ATOM 936 NH1 ARG A 65 -0.202 -11.852 -14.944 1.00 2.94 N ATOM 937 NH2 ARG A 65 -1.853 -13.252 -15.596 1.00 2.92 N ATOM 0 H ARG A 65 -2.294 -5.863 -11.612 1.00 0.43 H new ATOM 0 HA ARG A 65 -4.506 -7.324 -12.820 1.00 0.47 H new ATOM 0 HB2 ARG A 65 -1.945 -7.682 -13.075 1.00 0.45 H new ATOM 0 HB3 ARG A 65 -1.989 -8.421 -11.487 1.00 0.45 H new ATOM 0 HG2 ARG A 65 -3.677 -10.077 -12.282 1.00 0.94 H new ATOM 0 HG3 ARG A 65 -3.704 -9.316 -13.860 1.00 0.94 H new ATOM 0 HD2 ARG A 65 -1.180 -9.748 -14.018 1.00 1.55 H new ATOM 0 HD3 ARG A 65 -1.304 -10.679 -12.539 1.00 1.55 H new ATOM 0 HE ARG A 65 -3.294 -11.816 -14.180 1.00 1.86 H new ATOM 0 HH11 ARG A 65 0.107 -11.040 -14.410 1.00 2.94 H new ATOM 0 HH12 ARG A 65 0.468 -12.382 -15.501 1.00 2.94 H new ATOM 0 HH21 ARG A 65 -2.833 -13.534 -15.572 1.00 2.92 H new ATOM 0 HH22 ARG A 65 -1.183 -13.782 -16.154 1.00 2.92 H new ATOM 951 N ILE A 66 -3.878 -7.743 -9.609 1.00 0.49 N ATOM 952 CA ILE A 66 -4.501 -8.259 -8.356 1.00 0.53 C ATOM 953 C ILE A 66 -5.685 -7.354 -7.996 1.00 0.54 C ATOM 954 O ILE A 66 -6.691 -7.795 -7.478 1.00 0.60 O ATOM 955 CB ILE A 66 -3.447 -8.234 -7.239 1.00 0.52 C ATOM 956 CG1 ILE A 66 -2.501 -9.428 -7.401 1.00 1.22 C ATOM 957 CG2 ILE A 66 -4.120 -8.291 -5.862 1.00 1.29 C ATOM 958 CD1 ILE A 66 -1.266 -9.219 -6.524 1.00 1.25 C ATOM 0 H ILE A 66 -2.984 -7.268 -9.483 1.00 0.49 H new ATOM 0 HA ILE A 66 -4.857 -9.281 -8.487 1.00 0.53 H new ATOM 0 HB ILE A 66 -2.881 -7.305 -7.311 1.00 0.52 H new ATOM 0 HG12 ILE A 66 -3.009 -10.350 -7.119 1.00 1.22 H new ATOM 0 HG13 ILE A 66 -2.206 -9.533 -8.445 1.00 1.22 H new ATOM 0 HG21 ILE A 66 -3.358 -8.272 -5.083 1.00 1.29 H new ATOM 0 HG22 ILE A 66 -4.780 -7.432 -5.744 1.00 1.29 H new ATOM 0 HG23 ILE A 66 -4.701 -9.209 -5.779 1.00 1.29 H new ATOM 0 HD11 ILE A 66 -0.591 -10.067 -6.638 1.00 1.25 H new ATOM 0 HD12 ILE A 66 -0.755 -8.306 -6.828 1.00 1.25 H new ATOM 0 HD13 ILE A 66 -1.571 -9.135 -5.481 1.00 1.25 H new ATOM 970 N GLY A 67 -5.564 -6.093 -8.291 1.00 0.52 N ATOM 971 CA GLY A 67 -6.665 -5.131 -8.001 1.00 0.55 C ATOM 972 C GLY A 67 -7.828 -5.356 -8.968 1.00 0.53 C ATOM 973 O GLY A 67 -8.960 -5.039 -8.660 1.00 0.63 O ATOM 0 H GLY A 67 -4.739 -5.680 -8.726 1.00 0.52 H new ATOM 0 HA2 GLY A 67 -7.007 -5.256 -6.974 1.00 0.55 H new ATOM 0 HA3 GLY A 67 -6.298 -4.109 -8.092 1.00 0.55 H new ATOM 977 N ASP A 68 -7.579 -5.891 -10.132 1.00 0.54 N ATOM 978 CA ASP A 68 -8.693 -6.115 -11.098 1.00 0.54 C ATOM 979 C ASP A 68 -9.445 -7.407 -10.752 1.00 0.52 C ATOM 980 O ASP A 68 -10.601 -7.569 -11.087 1.00 0.56 O ATOM 981 CB ASP A 68 -8.105 -6.230 -12.504 1.00 0.60 C ATOM 982 CG ASP A 68 -9.228 -6.463 -13.513 1.00 1.43 C ATOM 983 OD1 ASP A 68 -10.178 -5.698 -13.500 1.00 2.20 O ATOM 984 OD2 ASP A 68 -9.119 -7.403 -14.283 1.00 2.12 O ATOM 0 H ASP A 68 -6.656 -6.182 -10.455 1.00 0.54 H new ATOM 0 HA ASP A 68 -9.392 -5.280 -11.047 1.00 0.54 H new ATOM 0 HB2 ASP A 68 -7.559 -5.321 -12.756 1.00 0.60 H new ATOM 0 HB3 ASP A 68 -7.390 -7.052 -12.544 1.00 0.60 H new ATOM 989 N GLU A 69 -8.798 -8.330 -10.092 1.00 0.56 N ATOM 990 CA GLU A 69 -9.476 -9.614 -9.731 1.00 0.56 C ATOM 991 C GLU A 69 -10.189 -9.451 -8.380 1.00 0.55 C ATOM 992 O GLU A 69 -11.388 -9.614 -8.274 1.00 0.73 O ATOM 993 CB GLU A 69 -8.418 -10.722 -9.635 1.00 0.61 C ATOM 994 CG GLU A 69 -9.087 -12.099 -9.722 1.00 0.84 C ATOM 995 CD GLU A 69 -9.672 -12.310 -11.121 1.00 1.65 C ATOM 996 OE1 GLU A 69 -8.906 -12.295 -12.071 1.00 2.48 O ATOM 997 OE2 GLU A 69 -10.875 -12.482 -11.218 1.00 2.23 O ATOM 0 H GLU A 69 -7.828 -8.252 -9.786 1.00 0.56 H new ATOM 0 HA GLU A 69 -10.212 -9.877 -10.491 1.00 0.56 H new ATOM 0 HB2 GLU A 69 -7.690 -10.611 -10.439 1.00 0.61 H new ATOM 0 HB3 GLU A 69 -7.872 -10.633 -8.696 1.00 0.61 H new ATOM 0 HG2 GLU A 69 -8.360 -12.880 -9.501 1.00 0.84 H new ATOM 0 HG3 GLU A 69 -9.876 -12.177 -8.974 1.00 0.84 H new ATOM 1004 N LEU A 70 -9.451 -9.134 -7.352 1.00 0.53 N ATOM 1005 CA LEU A 70 -10.056 -8.952 -5.999 1.00 0.52 C ATOM 1006 C LEU A 70 -11.211 -7.938 -6.061 1.00 0.54 C ATOM 1007 O LEU A 70 -12.233 -8.105 -5.425 1.00 0.60 O ATOM 1008 CB LEU A 70 -8.922 -8.496 -5.021 1.00 0.61 C ATOM 1009 CG LEU A 70 -8.919 -6.977 -4.720 1.00 0.70 C ATOM 1010 CD1 LEU A 70 -9.928 -6.645 -3.596 1.00 1.38 C ATOM 1011 CD2 LEU A 70 -7.509 -6.563 -4.265 1.00 1.61 C ATOM 0 H LEU A 70 -8.442 -8.991 -7.391 1.00 0.53 H new ATOM 0 HA LEU A 70 -10.483 -9.887 -5.636 1.00 0.52 H new ATOM 0 HB2 LEU A 70 -9.025 -9.041 -4.083 1.00 0.61 H new ATOM 0 HB3 LEU A 70 -7.957 -8.773 -5.446 1.00 0.61 H new ATOM 0 HG LEU A 70 -9.205 -6.436 -5.622 1.00 0.70 H new ATOM 0 HD11 LEU A 70 -9.912 -5.573 -3.398 1.00 1.38 H new ATOM 0 HD12 LEU A 70 -10.930 -6.942 -3.907 1.00 1.38 H new ATOM 0 HD13 LEU A 70 -9.654 -7.186 -2.690 1.00 1.38 H new ATOM 0 HD21 LEU A 70 -7.495 -5.494 -4.050 1.00 1.61 H new ATOM 0 HD22 LEU A 70 -7.239 -7.117 -3.366 1.00 1.61 H new ATOM 0 HD23 LEU A 70 -6.792 -6.783 -5.056 1.00 1.61 H new ATOM 1023 N ASP A 71 -11.038 -6.876 -6.802 1.00 0.67 N ATOM 1024 CA ASP A 71 -12.092 -5.829 -6.893 1.00 0.91 C ATOM 1025 C ASP A 71 -13.339 -6.363 -7.594 1.00 1.02 C ATOM 1026 O ASP A 71 -14.348 -5.685 -7.624 1.00 1.29 O ATOM 1027 CB ASP A 71 -11.551 -4.640 -7.687 1.00 1.09 C ATOM 1028 CG ASP A 71 -12.608 -3.534 -7.728 1.00 1.66 C ATOM 1029 OD1 ASP A 71 -13.290 -3.357 -6.733 1.00 2.36 O ATOM 1030 OD2 ASP A 71 -12.718 -2.885 -8.755 1.00 2.25 O ATOM 0 H ASP A 71 -10.201 -6.689 -7.354 1.00 0.67 H new ATOM 0 HA ASP A 71 -12.363 -5.525 -5.882 1.00 0.91 H new ATOM 0 HB2 ASP A 71 -10.636 -4.267 -7.227 1.00 1.09 H new ATOM 0 HB3 ASP A 71 -11.295 -4.951 -8.700 1.00 1.09 H new ATOM 1035 N SER A 72 -13.310 -7.557 -8.157 1.00 0.90 N ATOM 1036 CA SER A 72 -14.548 -8.077 -8.845 1.00 1.20 C ATOM 1037 C SER A 72 -15.289 -9.014 -7.891 1.00 0.98 C ATOM 1038 O SER A 72 -16.198 -9.726 -8.270 1.00 1.02 O ATOM 1039 CB SER A 72 -14.189 -8.785 -10.152 1.00 1.57 C ATOM 1040 OG SER A 72 -13.487 -9.984 -9.856 1.00 2.09 O ATOM 0 H SER A 72 -12.503 -8.181 -8.171 1.00 0.90 H new ATOM 0 HA SER A 72 -15.200 -7.242 -9.102 1.00 1.20 H new ATOM 0 HB2 SER A 72 -15.093 -9.009 -10.718 1.00 1.57 H new ATOM 0 HB3 SER A 72 -13.575 -8.135 -10.775 1.00 1.57 H new ATOM 0 HG SER A 72 -12.608 -9.765 -9.482 1.00 2.09 H new ATOM 1046 N ASN A 73 -14.925 -8.972 -6.641 1.00 0.92 N ATOM 1047 CA ASN A 73 -15.616 -9.801 -5.615 1.00 0.83 C ATOM 1048 C ASN A 73 -16.757 -8.967 -5.029 1.00 0.75 C ATOM 1049 O ASN A 73 -16.544 -7.906 -4.475 1.00 1.07 O ATOM 1050 CB ASN A 73 -14.629 -10.168 -4.505 1.00 0.91 C ATOM 1051 CG ASN A 73 -13.707 -11.285 -4.997 1.00 1.43 C ATOM 1052 OD1 ASN A 73 -12.505 -11.120 -5.042 1.00 2.29 O ATOM 1053 ND2 ASN A 73 -14.225 -12.422 -5.372 1.00 1.90 N ATOM 0 H ASN A 73 -14.168 -8.391 -6.282 1.00 0.92 H new ATOM 0 HA ASN A 73 -16.002 -10.717 -6.061 1.00 0.83 H new ATOM 0 HB2 ASN A 73 -14.042 -9.295 -4.221 1.00 0.91 H new ATOM 0 HB3 ASN A 73 -15.169 -10.492 -3.615 1.00 0.91 H new ATOM 0 HD21 ASN A 73 -13.620 -13.173 -5.703 1.00 1.90 H new ATOM 0 HD22 ASN A 73 -15.235 -12.560 -5.334 1.00 1.90 H new ATOM 1060 N MET A 74 -17.973 -9.433 -5.160 1.00 0.71 N ATOM 1061 CA MET A 74 -19.131 -8.659 -4.626 1.00 0.67 C ATOM 1062 C MET A 74 -19.208 -8.813 -3.108 1.00 0.67 C ATOM 1063 O MET A 74 -19.963 -8.138 -2.441 1.00 0.71 O ATOM 1064 CB MET A 74 -20.433 -9.150 -5.266 1.00 0.75 C ATOM 1065 CG MET A 74 -20.248 -9.289 -6.779 1.00 1.20 C ATOM 1066 SD MET A 74 -19.841 -7.676 -7.493 1.00 1.92 S ATOM 1067 CE MET A 74 -19.600 -8.237 -9.197 1.00 1.96 C ATOM 0 H MET A 74 -18.212 -10.315 -5.613 1.00 0.71 H new ATOM 0 HA MET A 74 -18.992 -7.606 -4.870 1.00 0.67 H new ATOM 0 HB2 MET A 74 -20.721 -10.109 -4.836 1.00 0.75 H new ATOM 0 HB3 MET A 74 -21.241 -8.450 -5.052 1.00 0.75 H new ATOM 0 HG2 MET A 74 -19.454 -10.004 -6.994 1.00 1.20 H new ATOM 0 HG3 MET A 74 -21.159 -9.679 -7.232 1.00 1.20 H new ATOM 0 HE1 MET A 74 -19.336 -7.387 -9.826 1.00 1.96 H new ATOM 0 HE2 MET A 74 -18.797 -8.974 -9.227 1.00 1.96 H new ATOM 0 HE3 MET A 74 -20.521 -8.688 -9.565 1.00 1.96 H new ATOM 1077 N GLU A 75 -18.408 -9.682 -2.559 1.00 0.70 N ATOM 1078 CA GLU A 75 -18.396 -9.874 -1.086 1.00 0.75 C ATOM 1079 C GLU A 75 -17.663 -8.700 -0.436 1.00 0.73 C ATOM 1080 O GLU A 75 -18.207 -8.012 0.404 1.00 0.78 O ATOM 1081 CB GLU A 75 -17.671 -11.179 -0.752 1.00 0.87 C ATOM 1082 CG GLU A 75 -17.960 -11.561 0.698 1.00 1.15 C ATOM 1083 CD GLU A 75 -17.218 -12.852 1.048 1.00 1.70 C ATOM 1084 OE1 GLU A 75 -16.652 -13.450 0.148 1.00 2.29 O ATOM 1085 OE2 GLU A 75 -17.229 -13.221 2.211 1.00 2.21 O ATOM 0 H GLU A 75 -17.756 -10.273 -3.075 1.00 0.70 H new ATOM 0 HA GLU A 75 -19.418 -9.922 -0.710 1.00 0.75 H new ATOM 0 HB2 GLU A 75 -18.001 -11.973 -1.422 1.00 0.87 H new ATOM 0 HB3 GLU A 75 -16.598 -11.061 -0.902 1.00 0.87 H new ATOM 0 HG2 GLU A 75 -17.647 -10.758 1.365 1.00 1.15 H new ATOM 0 HG3 GLU A 75 -19.032 -11.696 0.842 1.00 1.15 H new ATOM 1092 N LEU A 76 -16.443 -8.453 -0.816 1.00 0.74 N ATOM 1093 CA LEU A 76 -15.707 -7.308 -0.210 1.00 0.80 C ATOM 1094 C LEU A 76 -16.401 -6.000 -0.604 1.00 0.75 C ATOM 1095 O LEU A 76 -16.834 -5.240 0.240 1.00 0.81 O ATOM 1096 CB LEU A 76 -14.241 -7.325 -0.685 1.00 0.92 C ATOM 1097 CG LEU A 76 -13.452 -6.117 -0.142 1.00 1.00 C ATOM 1098 CD1 LEU A 76 -13.150 -6.302 1.349 1.00 1.57 C ATOM 1099 CD2 LEU A 76 -12.128 -6.010 -0.904 1.00 1.51 C ATOM 0 H LEU A 76 -15.926 -8.988 -1.514 1.00 0.74 H new ATOM 0 HA LEU A 76 -15.712 -7.391 0.877 1.00 0.80 H new ATOM 0 HB2 LEU A 76 -13.763 -8.249 -0.358 1.00 0.92 H new ATOM 0 HB3 LEU A 76 -14.211 -7.319 -1.775 1.00 0.92 H new ATOM 0 HG LEU A 76 -14.047 -5.214 -0.275 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -12.593 -5.441 1.717 1.00 1.57 H new ATOM 0 HD12 LEU A 76 -14.085 -6.392 1.901 1.00 1.57 H new ATOM 0 HD13 LEU A 76 -12.557 -7.205 1.491 1.00 1.57 H new ATOM 0 HD21 LEU A 76 -11.560 -5.159 -0.529 1.00 1.51 H new ATOM 0 HD22 LEU A 76 -11.551 -6.923 -0.760 1.00 1.51 H new ATOM 0 HD23 LEU A 76 -12.330 -5.872 -1.966 1.00 1.51 H new ATOM 1111 N GLN A 77 -16.502 -5.732 -1.876 1.00 0.76 N ATOM 1112 CA GLN A 77 -17.164 -4.471 -2.329 1.00 0.74 C ATOM 1113 C GLN A 77 -18.454 -4.236 -1.529 1.00 0.71 C ATOM 1114 O GLN A 77 -18.803 -3.113 -1.218 1.00 0.72 O ATOM 1115 CB GLN A 77 -17.495 -4.567 -3.824 1.00 0.71 C ATOM 1116 CG GLN A 77 -17.739 -3.164 -4.393 1.00 1.26 C ATOM 1117 CD GLN A 77 -16.398 -2.470 -4.645 1.00 1.59 C ATOM 1118 OE1 GLN A 77 -15.377 -2.894 -4.141 1.00 2.35 O ATOM 1119 NE2 GLN A 77 -16.358 -1.414 -5.411 1.00 2.03 N ATOM 0 H GLN A 77 -16.155 -6.331 -2.625 1.00 0.76 H new ATOM 0 HA GLN A 77 -16.484 -3.635 -2.162 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -16.675 -5.048 -4.357 1.00 0.71 H new ATOM 0 HB3 GLN A 77 -18.379 -5.188 -3.971 1.00 0.71 H new ATOM 0 HG2 GLN A 77 -18.305 -3.231 -5.322 1.00 1.26 H new ATOM 0 HG3 GLN A 77 -18.338 -2.577 -3.696 1.00 1.26 H new ATOM 0 HE21 GLN A 77 -17.215 -1.058 -5.834 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -15.470 -0.945 -5.587 1.00 2.03 H new ATOM 1128 N ARG A 78 -19.163 -5.275 -1.186 1.00 0.72 N ATOM 1129 CA ARG A 78 -20.420 -5.077 -0.409 1.00 0.73 C ATOM 1130 C ARG A 78 -20.089 -4.776 1.052 1.00 0.75 C ATOM 1131 O ARG A 78 -20.712 -3.939 1.675 1.00 0.79 O ATOM 1132 CB ARG A 78 -21.280 -6.346 -0.483 1.00 0.74 C ATOM 1133 CG ARG A 78 -22.659 -6.122 0.213 1.00 0.94 C ATOM 1134 CD ARG A 78 -22.827 -7.034 1.442 1.00 1.23 C ATOM 1135 NE ARG A 78 -22.101 -6.446 2.602 1.00 1.80 N ATOM 1136 CZ ARG A 78 -22.336 -6.888 3.807 1.00 2.50 C ATOM 1137 NH1 ARG A 78 -23.179 -7.867 3.988 1.00 2.83 N ATOM 1138 NH2 ARG A 78 -21.726 -6.355 4.829 1.00 3.41 N ATOM 0 H ARG A 78 -18.931 -6.243 -1.407 1.00 0.72 H new ATOM 0 HA ARG A 78 -20.970 -4.238 -0.835 1.00 0.73 H new ATOM 0 HB2 ARG A 78 -21.435 -6.626 -1.525 1.00 0.74 H new ATOM 0 HB3 ARG A 78 -20.756 -7.174 -0.005 1.00 0.74 H new ATOM 0 HG2 ARG A 78 -22.749 -5.079 0.518 1.00 0.94 H new ATOM 0 HG3 ARG A 78 -23.462 -6.316 -0.498 1.00 0.94 H new ATOM 0 HD2 ARG A 78 -23.884 -7.148 1.681 1.00 1.23 H new ATOM 0 HD3 ARG A 78 -22.440 -8.030 1.225 1.00 1.23 H new ATOM 0 HE ARG A 78 -21.422 -5.700 2.455 1.00 1.80 H new ATOM 0 HH11 ARG A 78 -23.653 -8.286 3.188 1.00 2.83 H new ATOM 0 HH12 ARG A 78 -23.364 -8.214 4.929 1.00 2.83 H new ATOM 0 HH21 ARG A 78 -21.064 -5.592 4.687 1.00 3.41 H new ATOM 0 HH22 ARG A 78 -21.911 -6.701 5.771 1.00 3.41 H new ATOM 1152 N MET A 79 -19.114 -5.443 1.612 1.00 0.75 N ATOM 1153 CA MET A 79 -18.759 -5.178 3.033 1.00 0.77 C ATOM 1154 C MET A 79 -18.240 -3.746 3.158 1.00 0.77 C ATOM 1155 O MET A 79 -18.625 -3.012 4.047 1.00 0.78 O ATOM 1156 CB MET A 79 -17.673 -6.162 3.480 1.00 0.81 C ATOM 1157 CG MET A 79 -18.291 -7.544 3.714 1.00 1.08 C ATOM 1158 SD MET A 79 -17.051 -8.648 4.437 1.00 1.07 S ATOM 1159 CE MET A 79 -17.413 -8.292 6.174 1.00 0.81 C ATOM 0 H MET A 79 -18.552 -6.156 1.148 1.00 0.75 H new ATOM 0 HA MET A 79 -19.639 -5.305 3.664 1.00 0.77 H new ATOM 0 HB2 MET A 79 -16.893 -6.226 2.722 1.00 0.81 H new ATOM 0 HB3 MET A 79 -17.200 -5.805 4.395 1.00 0.81 H new ATOM 0 HG2 MET A 79 -19.151 -7.461 4.379 1.00 1.08 H new ATOM 0 HG3 MET A 79 -18.654 -7.955 2.772 1.00 1.08 H new ATOM 0 HE1 MET A 79 -16.553 -8.560 6.787 1.00 0.81 H new ATOM 0 HE2 MET A 79 -17.625 -7.229 6.291 1.00 0.81 H new ATOM 0 HE3 MET A 79 -18.280 -8.872 6.491 1.00 0.81 H new ATOM 1169 N ILE A 80 -17.368 -3.340 2.273 1.00 0.77 N ATOM 1170 CA ILE A 80 -16.829 -1.953 2.344 1.00 0.80 C ATOM 1171 C ILE A 80 -17.988 -0.957 2.297 1.00 0.80 C ATOM 1172 O ILE A 80 -17.924 0.107 2.880 1.00 0.83 O ATOM 1173 CB ILE A 80 -15.888 -1.703 1.162 1.00 0.82 C ATOM 1174 CG1 ILE A 80 -14.657 -2.603 1.299 1.00 0.84 C ATOM 1175 CG2 ILE A 80 -15.448 -0.235 1.155 1.00 0.89 C ATOM 1176 CD1 ILE A 80 -13.815 -2.521 0.025 1.00 1.10 C ATOM 0 H ILE A 80 -17.007 -3.908 1.507 1.00 0.77 H new ATOM 0 HA ILE A 80 -16.276 -1.826 3.275 1.00 0.80 H new ATOM 0 HB ILE A 80 -16.407 -1.928 0.230 1.00 0.82 H new ATOM 0 HG12 ILE A 80 -14.063 -2.295 2.160 1.00 0.84 H new ATOM 0 HG13 ILE A 80 -14.966 -3.633 1.477 1.00 0.84 H new ATOM 0 HG21 ILE A 80 -14.778 -0.060 0.313 1.00 0.89 H new ATOM 0 HG22 ILE A 80 -16.324 0.407 1.062 1.00 0.89 H new ATOM 0 HG23 ILE A 80 -14.928 -0.007 2.085 1.00 0.89 H new ATOM 0 HD11 ILE A 80 -12.940 -3.163 0.126 1.00 1.10 H new ATOM 0 HD12 ILE A 80 -14.410 -2.850 -0.826 1.00 1.10 H new ATOM 0 HD13 ILE A 80 -13.494 -1.491 -0.133 1.00 1.10 H new ATOM 1188 N ALA A 81 -19.052 -1.292 1.618 1.00 0.78 N ATOM 1189 CA ALA A 81 -20.207 -0.354 1.559 1.00 0.80 C ATOM 1190 C ALA A 81 -20.893 -0.336 2.927 1.00 0.81 C ATOM 1191 O ALA A 81 -21.653 0.559 3.240 1.00 0.85 O ATOM 1192 CB ALA A 81 -21.194 -0.800 0.478 1.00 0.79 C ATOM 0 H ALA A 81 -19.170 -2.166 1.106 1.00 0.78 H new ATOM 0 HA ALA A 81 -19.857 0.648 1.309 1.00 0.80 H new ATOM 0 HB1 ALA A 81 -22.034 -0.107 0.444 1.00 0.79 H new ATOM 0 HB2 ALA A 81 -20.693 -0.811 -0.490 1.00 0.79 H new ATOM 0 HB3 ALA A 81 -21.559 -1.801 0.709 1.00 0.79 H new ATOM 1198 N ALA A 82 -20.620 -1.313 3.749 1.00 0.78 N ATOM 1199 CA ALA A 82 -21.244 -1.347 5.104 1.00 0.80 C ATOM 1200 C ALA A 82 -20.426 -0.475 6.064 1.00 0.79 C ATOM 1201 O ALA A 82 -20.835 -0.208 7.176 1.00 0.83 O ATOM 1202 CB ALA A 82 -21.269 -2.786 5.621 1.00 0.87 C ATOM 0 H ALA A 82 -19.992 -2.089 3.541 1.00 0.78 H new ATOM 0 HA ALA A 82 -22.263 -0.966 5.043 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -21.725 -2.809 6.611 1.00 0.87 H new ATOM 0 HB2 ALA A 82 -21.850 -3.407 4.939 1.00 0.87 H new ATOM 0 HB3 ALA A 82 -20.250 -3.168 5.682 1.00 0.87 H new ATOM 1208 N VAL A 83 -19.276 -0.022 5.636 1.00 0.80 N ATOM 1209 CA VAL A 83 -18.429 0.844 6.511 1.00 0.85 C ATOM 1210 C VAL A 83 -18.770 2.308 6.235 1.00 0.99 C ATOM 1211 O VAL A 83 -18.240 2.929 5.335 1.00 1.36 O ATOM 1212 CB VAL A 83 -16.949 0.597 6.201 1.00 0.97 C ATOM 1213 CG1 VAL A 83 -16.076 1.378 7.185 1.00 1.81 C ATOM 1214 CG2 VAL A 83 -16.640 -0.897 6.323 1.00 1.40 C ATOM 0 H VAL A 83 -18.885 -0.215 4.714 1.00 0.80 H new ATOM 0 HA VAL A 83 -18.619 0.609 7.558 1.00 0.85 H new ATOM 0 HB VAL A 83 -16.737 0.931 5.185 1.00 0.97 H new ATOM 0 HG11 VAL A 83 -15.025 1.199 6.960 1.00 1.81 H new ATOM 0 HG12 VAL A 83 -16.290 2.443 7.095 1.00 1.81 H new ATOM 0 HG13 VAL A 83 -16.291 1.049 8.202 1.00 1.81 H new ATOM 0 HG21 VAL A 83 -15.587 -1.070 6.102 1.00 1.40 H new ATOM 0 HG22 VAL A 83 -16.858 -1.232 7.337 1.00 1.40 H new ATOM 0 HG23 VAL A 83 -17.255 -1.455 5.617 1.00 1.40 H new ATOM 1224 N ASP A 84 -19.651 2.861 7.025 1.00 1.46 N ATOM 1225 CA ASP A 84 -20.041 4.287 6.847 1.00 1.71 C ATOM 1226 C ASP A 84 -18.813 5.178 7.042 1.00 1.39 C ATOM 1227 O ASP A 84 -17.827 4.769 7.623 1.00 1.80 O ATOM 1228 CB ASP A 84 -21.100 4.654 7.891 1.00 2.38 C ATOM 1229 CG ASP A 84 -21.576 6.088 7.655 1.00 2.99 C ATOM 1230 OD1 ASP A 84 -21.963 6.387 6.537 1.00 3.45 O ATOM 1231 OD2 ASP A 84 -21.547 6.864 8.596 1.00 3.57 O ATOM 0 H ASP A 84 -20.120 2.380 7.792 1.00 1.46 H new ATOM 0 HA ASP A 84 -20.444 4.433 5.845 1.00 1.71 H new ATOM 0 HB2 ASP A 84 -21.942 3.965 7.827 1.00 2.38 H new ATOM 0 HB3 ASP A 84 -20.685 4.558 8.894 1.00 2.38 H new ATOM 1236 N THR A 85 -18.863 6.392 6.558 1.00 1.68 N ATOM 1237 CA THR A 85 -17.697 7.320 6.706 1.00 1.97 C ATOM 1238 C THR A 85 -17.977 8.321 7.828 1.00 1.67 C ATOM 1239 O THR A 85 -19.099 8.740 8.034 1.00 2.28 O ATOM 1240 CB THR A 85 -17.489 8.076 5.391 1.00 3.20 C ATOM 1241 OG1 THR A 85 -16.603 9.165 5.607 1.00 3.80 O ATOM 1242 CG2 THR A 85 -18.834 8.600 4.884 1.00 3.87 C ATOM 0 H THR A 85 -19.664 6.784 6.064 1.00 1.68 H new ATOM 0 HA THR A 85 -16.802 6.747 6.949 1.00 1.97 H new ATOM 0 HB THR A 85 -17.061 7.403 4.648 1.00 3.20 H new ATOM 0 HG1 THR A 85 -16.468 9.649 4.765 1.00 3.80 H new ATOM 0 HG21 THR A 85 -18.685 9.138 3.948 1.00 3.87 H new ATOM 0 HG22 THR A 85 -19.511 7.762 4.717 1.00 3.87 H new ATOM 0 HG23 THR A 85 -19.265 9.273 5.625 1.00 3.87 H new ATOM 1250 N ASP A 86 -16.965 8.712 8.556 1.00 1.51 N ATOM 1251 CA ASP A 86 -17.181 9.689 9.661 1.00 1.98 C ATOM 1252 C ASP A 86 -15.833 10.205 10.173 1.00 1.78 C ATOM 1253 O ASP A 86 -15.729 11.292 10.705 1.00 2.48 O ATOM 1254 CB ASP A 86 -17.934 9.008 10.806 1.00 2.56 C ATOM 1255 CG ASP A 86 -18.283 10.045 11.874 1.00 3.06 C ATOM 1256 OD1 ASP A 86 -17.938 11.200 11.684 1.00 3.57 O ATOM 1257 OD2 ASP A 86 -18.889 9.668 12.863 1.00 3.50 O ATOM 0 H ASP A 86 -16.002 8.398 8.434 1.00 1.51 H new ATOM 0 HA ASP A 86 -17.767 10.528 9.286 1.00 1.98 H new ATOM 0 HB2 ASP A 86 -18.843 8.538 10.429 1.00 2.56 H new ATOM 0 HB3 ASP A 86 -17.322 8.217 11.238 1.00 2.56 H new ATOM 1262 N SER A 87 -14.803 9.418 10.016 1.00 1.11 N ATOM 1263 CA SER A 87 -13.450 9.831 10.489 1.00 0.93 C ATOM 1264 C SER A 87 -12.392 8.936 9.815 1.00 0.84 C ATOM 1265 O SER A 87 -11.940 7.982 10.417 1.00 0.97 O ATOM 1266 CB SER A 87 -13.372 9.642 12.005 1.00 0.88 C ATOM 1267 OG SER A 87 -12.063 9.969 12.451 1.00 1.63 O ATOM 0 H SER A 87 -14.841 8.498 9.576 1.00 1.11 H new ATOM 0 HA SER A 87 -13.269 10.876 10.237 1.00 0.93 H new ATOM 0 HB2 SER A 87 -14.107 10.276 12.501 1.00 0.88 H new ATOM 0 HB3 SER A 87 -13.612 8.612 12.268 1.00 0.88 H new ATOM 0 HG SER A 87 -12.093 10.220 13.398 1.00 1.63 H new ATOM 1273 N PRO A 88 -12.036 9.240 8.579 1.00 0.77 N ATOM 1274 CA PRO A 88 -11.051 8.424 7.843 1.00 0.83 C ATOM 1275 C PRO A 88 -9.694 8.434 8.558 1.00 0.73 C ATOM 1276 O PRO A 88 -8.888 7.544 8.374 1.00 0.72 O ATOM 1277 CB PRO A 88 -10.958 9.071 6.439 1.00 1.01 C ATOM 1278 CG PRO A 88 -11.930 10.287 6.420 1.00 1.07 C ATOM 1279 CD PRO A 88 -12.569 10.397 7.824 1.00 0.83 C ATOM 0 HA PRO A 88 -11.348 7.377 7.781 1.00 0.83 H new ATOM 0 HB2 PRO A 88 -9.937 9.393 6.232 1.00 1.01 H new ATOM 0 HB3 PRO A 88 -11.229 8.351 5.666 1.00 1.01 H new ATOM 0 HG2 PRO A 88 -11.393 11.202 6.171 1.00 1.07 H new ATOM 0 HG3 PRO A 88 -12.699 10.151 5.659 1.00 1.07 H new ATOM 0 HD2 PRO A 88 -12.304 11.338 8.306 1.00 0.83 H new ATOM 0 HD3 PRO A 88 -13.657 10.363 7.766 1.00 0.83 H new ATOM 1287 N ARG A 89 -9.423 9.422 9.368 1.00 0.75 N ATOM 1288 CA ARG A 89 -8.110 9.442 10.064 1.00 0.73 C ATOM 1289 C ARG A 89 -8.097 8.349 11.137 1.00 0.67 C ATOM 1290 O ARG A 89 -7.136 7.621 11.281 1.00 0.68 O ATOM 1291 CB ARG A 89 -7.882 10.812 10.711 1.00 0.79 C ATOM 1292 CG ARG A 89 -7.655 11.871 9.628 1.00 1.63 C ATOM 1293 CD ARG A 89 -7.649 13.261 10.270 1.00 1.65 C ATOM 1294 NE ARG A 89 -6.585 13.322 11.312 1.00 2.07 N ATOM 1295 CZ ARG A 89 -6.197 14.476 11.786 1.00 2.47 C ATOM 1296 NH1 ARG A 89 -6.745 15.578 11.353 1.00 2.69 N ATOM 1297 NH2 ARG A 89 -5.262 14.526 12.695 1.00 3.10 N ATOM 0 H ARG A 89 -10.045 10.204 9.574 1.00 0.75 H new ATOM 0 HA ARG A 89 -7.312 9.258 9.345 1.00 0.73 H new ATOM 0 HB2 ARG A 89 -8.743 11.083 11.321 1.00 0.79 H new ATOM 0 HB3 ARG A 89 -7.020 10.770 11.377 1.00 0.79 H new ATOM 0 HG2 ARG A 89 -6.709 11.689 9.119 1.00 1.63 H new ATOM 0 HG3 ARG A 89 -8.440 11.810 8.874 1.00 1.63 H new ATOM 0 HD2 ARG A 89 -7.474 14.023 9.511 1.00 1.65 H new ATOM 0 HD3 ARG A 89 -8.621 13.472 10.715 1.00 1.65 H new ATOM 0 HE ARG A 89 -6.159 12.461 11.656 1.00 2.07 H new ATOM 0 HH11 ARG A 89 -7.477 15.539 10.644 1.00 2.69 H new ATOM 0 HH12 ARG A 89 -6.441 16.478 11.724 1.00 2.69 H new ATOM 0 HH21 ARG A 89 -4.835 13.665 13.035 1.00 3.10 H new ATOM 0 HH22 ARG A 89 -4.959 15.427 13.066 1.00 3.10 H new ATOM 1311 N GLU A 90 -9.156 8.232 11.894 1.00 0.65 N ATOM 1312 CA GLU A 90 -9.200 7.190 12.959 1.00 0.65 C ATOM 1313 C GLU A 90 -9.341 5.803 12.325 1.00 0.64 C ATOM 1314 O GLU A 90 -8.666 4.870 12.711 1.00 0.67 O ATOM 1315 CB GLU A 90 -10.402 7.451 13.866 1.00 0.71 C ATOM 1316 CG GLU A 90 -10.220 8.792 14.576 1.00 1.32 C ATOM 1317 CD GLU A 90 -11.441 9.075 15.451 1.00 2.02 C ATOM 1318 OE1 GLU A 90 -12.430 9.549 14.917 1.00 2.46 O ATOM 1319 OE2 GLU A 90 -11.366 8.814 16.640 1.00 2.78 O ATOM 0 H GLU A 90 -9.991 8.813 11.820 1.00 0.65 H new ATOM 0 HA GLU A 90 -8.278 7.229 13.540 1.00 0.65 H new ATOM 0 HB2 GLU A 90 -11.320 7.460 13.278 1.00 0.71 H new ATOM 0 HB3 GLU A 90 -10.500 6.650 14.598 1.00 0.71 H new ATOM 0 HG2 GLU A 90 -9.318 8.772 15.187 1.00 1.32 H new ATOM 0 HG3 GLU A 90 -10.092 9.589 13.844 1.00 1.32 H new ATOM 1326 N VAL A 91 -10.221 5.645 11.369 1.00 0.64 N ATOM 1327 CA VAL A 91 -10.404 4.305 10.742 1.00 0.67 C ATOM 1328 C VAL A 91 -9.121 3.891 10.027 1.00 0.66 C ATOM 1329 O VAL A 91 -8.648 2.783 10.174 1.00 0.67 O ATOM 1330 CB VAL A 91 -11.553 4.378 9.734 1.00 0.71 C ATOM 1331 CG1 VAL A 91 -11.730 3.020 9.054 1.00 0.80 C ATOM 1332 CG2 VAL A 91 -12.847 4.757 10.460 1.00 0.75 C ATOM 0 H VAL A 91 -10.818 6.384 10.998 1.00 0.64 H new ATOM 0 HA VAL A 91 -10.636 3.569 11.512 1.00 0.67 H new ATOM 0 HB VAL A 91 -11.323 5.132 8.981 1.00 0.71 H new ATOM 0 HG11 VAL A 91 -12.549 3.076 8.337 1.00 0.80 H new ATOM 0 HG12 VAL A 91 -10.811 2.751 8.534 1.00 0.80 H new ATOM 0 HG13 VAL A 91 -11.957 2.264 9.805 1.00 0.80 H new ATOM 0 HG21 VAL A 91 -13.665 4.809 9.742 1.00 0.75 H new ATOM 0 HG22 VAL A 91 -13.074 4.005 11.215 1.00 0.75 H new ATOM 0 HG23 VAL A 91 -12.724 5.728 10.940 1.00 0.75 H new ATOM 1342 N PHE A 92 -8.551 4.777 9.263 1.00 0.64 N ATOM 1343 CA PHE A 92 -7.293 4.446 8.542 1.00 0.65 C ATOM 1344 C PHE A 92 -6.217 4.026 9.543 1.00 0.62 C ATOM 1345 O PHE A 92 -5.496 3.073 9.323 1.00 0.67 O ATOM 1346 CB PHE A 92 -6.805 5.672 7.771 1.00 0.65 C ATOM 1347 CG PHE A 92 -5.492 5.344 7.097 1.00 0.65 C ATOM 1348 CD1 PHE A 92 -5.459 4.424 6.040 1.00 1.31 C ATOM 1349 CD2 PHE A 92 -4.307 5.953 7.530 1.00 1.44 C ATOM 1350 CE1 PHE A 92 -4.244 4.116 5.417 1.00 1.31 C ATOM 1351 CE2 PHE A 92 -3.093 5.644 6.906 1.00 1.47 C ATOM 1352 CZ PHE A 92 -3.061 4.726 5.850 1.00 0.73 C ATOM 0 H PHE A 92 -8.904 5.721 9.106 1.00 0.64 H new ATOM 0 HA PHE A 92 -7.487 3.627 7.849 1.00 0.65 H new ATOM 0 HB2 PHE A 92 -7.545 5.968 7.028 1.00 0.65 H new ATOM 0 HB3 PHE A 92 -6.679 6.516 8.449 1.00 0.65 H new ATOM 0 HD1 PHE A 92 -6.372 3.953 5.706 1.00 1.31 H new ATOM 0 HD2 PHE A 92 -4.330 6.661 8.345 1.00 1.44 H new ATOM 0 HE1 PHE A 92 -4.219 3.408 4.602 1.00 1.31 H new ATOM 0 HE2 PHE A 92 -2.180 6.114 7.240 1.00 1.47 H new ATOM 0 HZ PHE A 92 -2.124 4.488 5.369 1.00 0.73 H new ATOM 1362 N PHE A 93 -6.087 4.728 10.638 1.00 0.58 N ATOM 1363 CA PHE A 93 -5.036 4.352 11.629 1.00 0.57 C ATOM 1364 C PHE A 93 -5.523 3.141 12.434 1.00 0.59 C ATOM 1365 O PHE A 93 -4.753 2.268 12.784 1.00 0.60 O ATOM 1366 CB PHE A 93 -4.747 5.559 12.555 1.00 0.57 C ATOM 1367 CG PHE A 93 -4.353 5.096 13.947 1.00 0.56 C ATOM 1368 CD1 PHE A 93 -3.027 4.747 14.223 1.00 1.47 C ATOM 1369 CD2 PHE A 93 -5.325 5.005 14.951 1.00 1.15 C ATOM 1370 CE1 PHE A 93 -2.672 4.305 15.503 1.00 1.58 C ATOM 1371 CE2 PHE A 93 -4.970 4.566 16.232 1.00 1.07 C ATOM 1372 CZ PHE A 93 -3.644 4.215 16.508 1.00 0.70 C ATOM 0 H PHE A 93 -6.656 5.537 10.887 1.00 0.58 H new ATOM 0 HA PHE A 93 -4.110 4.084 11.120 1.00 0.57 H new ATOM 0 HB2 PHE A 93 -3.947 6.165 12.130 1.00 0.57 H new ATOM 0 HB3 PHE A 93 -5.630 6.195 12.616 1.00 0.57 H new ATOM 0 HD1 PHE A 93 -2.277 4.818 13.449 1.00 1.47 H new ATOM 0 HD2 PHE A 93 -6.349 5.274 14.737 1.00 1.15 H new ATOM 0 HE1 PHE A 93 -1.649 4.033 15.716 1.00 1.58 H new ATOM 0 HE2 PHE A 93 -5.719 4.498 17.007 1.00 1.07 H new ATOM 0 HZ PHE A 93 -3.370 3.875 17.496 1.00 0.70 H new ATOM 1382 N ARG A 94 -6.785 3.086 12.743 1.00 0.62 N ATOM 1383 CA ARG A 94 -7.292 1.938 13.539 1.00 0.67 C ATOM 1384 C ARG A 94 -7.363 0.682 12.676 1.00 0.66 C ATOM 1385 O ARG A 94 -6.886 -0.365 13.065 1.00 0.67 O ATOM 1386 CB ARG A 94 -8.688 2.249 14.081 1.00 0.72 C ATOM 1387 CG ARG A 94 -9.046 1.244 15.200 1.00 0.89 C ATOM 1388 CD ARG A 94 -10.551 0.969 15.198 1.00 1.00 C ATOM 1389 NE ARG A 94 -10.907 0.134 16.379 1.00 1.95 N ATOM 1390 CZ ARG A 94 -12.155 0.007 16.735 1.00 2.64 C ATOM 1391 NH1 ARG A 94 -13.092 0.605 16.050 1.00 2.76 N ATOM 1392 NH2 ARG A 94 -12.467 -0.720 17.772 1.00 3.65 N ATOM 0 H ARG A 94 -7.484 3.781 12.481 1.00 0.62 H new ATOM 0 HA ARG A 94 -6.606 1.769 14.369 1.00 0.67 H new ATOM 0 HB2 ARG A 94 -8.720 3.267 14.469 1.00 0.72 H new ATOM 0 HB3 ARG A 94 -9.422 2.191 13.278 1.00 0.72 H new ATOM 0 HG2 ARG A 94 -8.498 0.313 15.052 1.00 0.89 H new ATOM 0 HG3 ARG A 94 -8.743 1.642 16.168 1.00 0.89 H new ATOM 0 HD2 ARG A 94 -11.103 1.909 15.224 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -10.836 0.458 14.279 1.00 1.00 H new ATOM 0 HE ARG A 94 -10.175 -0.338 16.909 1.00 1.95 H new ATOM 0 HH11 ARG A 94 -12.847 1.171 15.237 1.00 2.76 H new ATOM 0 HH12 ARG A 94 -14.069 0.506 16.328 1.00 2.76 H new ATOM 0 HH21 ARG A 94 -11.735 -1.189 18.305 1.00 3.65 H new ATOM 0 HH22 ARG A 94 -13.443 -0.819 18.050 1.00 3.65 H new ATOM 1406 N VAL A 95 -7.956 0.753 11.514 1.00 0.65 N ATOM 1407 CA VAL A 95 -8.047 -0.459 10.663 1.00 0.66 C ATOM 1408 C VAL A 95 -6.654 -1.028 10.414 1.00 0.66 C ATOM 1409 O VAL A 95 -6.456 -2.226 10.420 1.00 0.67 O ATOM 1410 CB VAL A 95 -8.699 -0.081 9.321 1.00 0.64 C ATOM 1411 CG1 VAL A 95 -7.705 0.682 8.432 1.00 1.27 C ATOM 1412 CG2 VAL A 95 -9.153 -1.350 8.594 1.00 1.08 C ATOM 0 H VAL A 95 -8.378 1.595 11.123 1.00 0.65 H new ATOM 0 HA VAL A 95 -8.650 -1.213 11.168 1.00 0.66 H new ATOM 0 HB VAL A 95 -9.558 0.560 9.522 1.00 0.64 H new ATOM 0 HG11 VAL A 95 -8.185 0.940 7.488 1.00 1.27 H new ATOM 0 HG12 VAL A 95 -7.388 1.593 8.939 1.00 1.27 H new ATOM 0 HG13 VAL A 95 -6.835 0.055 8.237 1.00 1.27 H new ATOM 0 HG21 VAL A 95 -9.614 -1.080 7.644 1.00 1.08 H new ATOM 0 HG22 VAL A 95 -8.291 -1.992 8.409 1.00 1.08 H new ATOM 0 HG23 VAL A 95 -9.877 -1.883 9.210 1.00 1.08 H new ATOM 1422 N ALA A 96 -5.694 -0.188 10.138 1.00 0.65 N ATOM 1423 CA ALA A 96 -4.349 -0.727 9.831 1.00 0.68 C ATOM 1424 C ALA A 96 -3.801 -1.443 11.065 1.00 0.70 C ATOM 1425 O ALA A 96 -3.175 -2.480 10.978 1.00 0.76 O ATOM 1426 CB ALA A 96 -3.414 0.415 9.435 1.00 0.69 C ATOM 0 H ALA A 96 -5.783 0.828 10.113 1.00 0.65 H new ATOM 0 HA ALA A 96 -4.417 -1.432 9.002 1.00 0.68 H new ATOM 0 HB1 ALA A 96 -2.426 0.015 9.210 1.00 0.69 H new ATOM 0 HB2 ALA A 96 -3.810 0.921 8.554 1.00 0.69 H new ATOM 0 HB3 ALA A 96 -3.339 1.126 10.258 1.00 0.69 H new ATOM 1432 N ALA A 97 -4.027 -0.862 12.223 1.00 0.74 N ATOM 1433 CA ALA A 97 -3.522 -1.454 13.494 1.00 0.78 C ATOM 1434 C ALA A 97 -4.093 -2.855 13.665 1.00 0.79 C ATOM 1435 O ALA A 97 -3.414 -3.765 14.101 1.00 0.83 O ATOM 1436 CB ALA A 97 -3.961 -0.578 14.674 1.00 0.77 C ATOM 0 H ALA A 97 -4.547 0.008 12.336 1.00 0.74 H new ATOM 0 HA ALA A 97 -2.434 -1.506 13.463 1.00 0.78 H new ATOM 0 HB1 ALA A 97 -3.592 -1.010 15.605 1.00 0.77 H new ATOM 0 HB2 ALA A 97 -3.554 0.426 14.553 1.00 0.77 H new ATOM 0 HB3 ALA A 97 -5.049 -0.527 14.704 1.00 0.77 H new ATOM 1442 N ASP A 98 -5.334 -3.040 13.325 1.00 0.78 N ATOM 1443 CA ASP A 98 -5.942 -4.385 13.467 1.00 0.82 C ATOM 1444 C ASP A 98 -5.255 -5.342 12.493 1.00 0.83 C ATOM 1445 O ASP A 98 -5.008 -6.489 12.804 1.00 0.88 O ATOM 1446 CB ASP A 98 -7.439 -4.308 13.154 1.00 0.82 C ATOM 1447 CG ASP A 98 -8.134 -3.442 14.207 1.00 1.47 C ATOM 1448 OD1 ASP A 98 -7.721 -2.307 14.378 1.00 2.13 O ATOM 1449 OD2 ASP A 98 -9.067 -3.929 14.825 1.00 2.19 O ATOM 0 H ASP A 98 -5.953 -2.318 12.955 1.00 0.78 H new ATOM 0 HA ASP A 98 -5.813 -4.746 14.488 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -7.593 -3.886 12.161 1.00 0.82 H new ATOM 0 HB3 ASP A 98 -7.872 -5.308 13.146 1.00 0.82 H new ATOM 1454 N MET A 99 -4.980 -4.887 11.299 1.00 0.81 N ATOM 1455 CA MET A 99 -4.350 -5.778 10.284 1.00 0.85 C ATOM 1456 C MET A 99 -3.028 -6.351 10.824 1.00 0.97 C ATOM 1457 O MET A 99 -2.679 -7.483 10.555 1.00 1.14 O ATOM 1458 CB MET A 99 -4.101 -4.960 8.996 1.00 0.79 C ATOM 1459 CG MET A 99 -4.340 -5.821 7.751 1.00 0.81 C ATOM 1460 SD MET A 99 -6.121 -5.966 7.451 1.00 0.97 S ATOM 1461 CE MET A 99 -6.287 -4.577 6.299 1.00 0.48 C ATOM 0 H MET A 99 -5.165 -3.935 10.984 1.00 0.81 H new ATOM 0 HA MET A 99 -5.013 -6.615 10.063 1.00 0.85 H new ATOM 0 HB2 MET A 99 -4.762 -4.093 8.977 1.00 0.79 H new ATOM 0 HB3 MET A 99 -3.079 -4.582 8.992 1.00 0.79 H new ATOM 0 HG2 MET A 99 -3.850 -5.373 6.886 1.00 0.81 H new ATOM 0 HG3 MET A 99 -3.902 -6.809 7.890 1.00 0.81 H new ATOM 0 HE1 MET A 99 -7.343 -4.352 6.150 1.00 0.48 H new ATOM 0 HE2 MET A 99 -5.784 -3.702 6.710 1.00 0.48 H new ATOM 0 HE3 MET A 99 -5.834 -4.841 5.343 1.00 0.48 H new ATOM 1471 N PHE A 100 -2.292 -5.571 11.577 1.00 0.98 N ATOM 1472 CA PHE A 100 -0.985 -6.050 12.137 1.00 1.14 C ATOM 1473 C PHE A 100 -1.076 -6.168 13.655 1.00 1.28 C ATOM 1474 O PHE A 100 -0.079 -6.187 14.349 1.00 1.67 O ATOM 1475 CB PHE A 100 0.117 -5.057 11.772 1.00 1.19 C ATOM 1476 CG PHE A 100 0.398 -5.155 10.294 1.00 1.15 C ATOM 1477 CD1 PHE A 100 1.262 -6.144 9.811 1.00 1.67 C ATOM 1478 CD2 PHE A 100 -0.210 -4.260 9.408 1.00 1.64 C ATOM 1479 CE1 PHE A 100 1.519 -6.238 8.438 1.00 1.79 C ATOM 1480 CE2 PHE A 100 0.046 -4.353 8.035 1.00 1.69 C ATOM 1481 CZ PHE A 100 0.911 -5.342 7.550 1.00 1.38 C ATOM 0 H PHE A 100 -2.541 -4.615 11.831 1.00 0.98 H new ATOM 0 HA PHE A 100 -0.755 -7.029 11.717 1.00 1.14 H new ATOM 0 HB2 PHE A 100 -0.189 -4.043 12.030 1.00 1.19 H new ATOM 0 HB3 PHE A 100 1.021 -5.272 12.342 1.00 1.19 H new ATOM 0 HD1 PHE A 100 1.730 -6.834 10.497 1.00 1.67 H new ATOM 0 HD2 PHE A 100 -0.877 -3.498 9.783 1.00 1.64 H new ATOM 0 HE1 PHE A 100 2.186 -7.001 8.064 1.00 1.79 H new ATOM 0 HE2 PHE A 100 -0.423 -3.662 7.350 1.00 1.69 H new ATOM 0 HZ PHE A 100 1.109 -5.414 6.491 1.00 1.38 H new ATOM 1491 N SER A 101 -2.265 -6.228 14.179 1.00 1.34 N ATOM 1492 CA SER A 101 -2.420 -6.321 15.654 1.00 1.52 C ATOM 1493 C SER A 101 -2.016 -7.703 16.165 1.00 1.61 C ATOM 1494 O SER A 101 -2.036 -7.940 17.356 1.00 1.99 O ATOM 1495 CB SER A 101 -3.878 -6.066 16.035 1.00 1.79 C ATOM 1496 OG SER A 101 -4.113 -6.573 17.344 1.00 2.21 O ATOM 0 H SER A 101 -3.137 -6.217 13.650 1.00 1.34 H new ATOM 0 HA SER A 101 -1.771 -5.572 16.108 1.00 1.52 H new ATOM 0 HB2 SER A 101 -4.094 -4.998 16.001 1.00 1.79 H new ATOM 0 HB3 SER A 101 -4.544 -6.549 15.320 1.00 1.79 H new ATOM 0 HG SER A 101 -3.256 -6.758 17.782 1.00 2.21 H new ATOM 1502 N ASP A 102 -1.653 -8.634 15.306 1.00 1.99 N ATOM 1503 CA ASP A 102 -1.267 -9.992 15.804 1.00 2.34 C ATOM 1504 C ASP A 102 0.256 -10.056 15.961 1.00 2.07 C ATOM 1505 O ASP A 102 0.761 -10.397 17.012 1.00 2.62 O ATOM 1506 CB ASP A 102 -1.726 -11.039 14.785 1.00 3.15 C ATOM 1507 CG ASP A 102 -1.321 -12.438 15.248 1.00 3.78 C ATOM 1508 OD1 ASP A 102 -0.157 -12.773 15.107 1.00 4.42 O ATOM 1509 OD2 ASP A 102 -2.184 -13.154 15.728 1.00 4.10 O ATOM 0 H ASP A 102 -1.609 -8.511 14.294 1.00 1.99 H new ATOM 0 HA ASP A 102 -1.737 -10.188 16.768 1.00 2.34 H new ATOM 0 HB2 ASP A 102 -2.808 -10.988 14.662 1.00 3.15 H new ATOM 0 HB3 ASP A 102 -1.284 -10.828 13.811 1.00 3.15 H new ATOM 1514 N GLY A 103 0.997 -9.726 14.930 1.00 2.05 N ATOM 1515 CA GLY A 103 2.492 -9.766 15.036 1.00 2.45 C ATOM 1516 C GLY A 103 3.102 -10.270 13.725 1.00 2.44 C ATOM 1517 O GLY A 103 4.118 -9.779 13.273 1.00 3.08 O ATOM 0 H GLY A 103 0.634 -9.432 14.023 1.00 2.05 H new ATOM 0 HA2 GLY A 103 2.874 -8.771 15.265 1.00 2.45 H new ATOM 0 HA3 GLY A 103 2.788 -10.418 15.858 1.00 2.45 H new ATOM 1521 N ASN A 104 2.500 -11.256 13.118 1.00 2.29 N ATOM 1522 CA ASN A 104 3.055 -11.803 11.846 1.00 2.55 C ATOM 1523 C ASN A 104 3.248 -10.676 10.828 1.00 2.17 C ATOM 1524 O ASN A 104 2.302 -10.061 10.379 1.00 2.54 O ATOM 1525 CB ASN A 104 2.089 -12.842 11.273 1.00 3.20 C ATOM 1526 CG ASN A 104 1.920 -13.988 12.272 1.00 3.72 C ATOM 1527 OD1 ASN A 104 2.791 -14.237 13.082 1.00 4.05 O ATOM 1528 ND2 ASN A 104 0.828 -14.701 12.249 1.00 4.31 N ATOM 0 H ASN A 104 1.647 -11.707 13.448 1.00 2.29 H new ATOM 0 HA ASN A 104 4.019 -12.269 12.051 1.00 2.55 H new ATOM 0 HB2 ASN A 104 1.123 -12.381 11.066 1.00 3.20 H new ATOM 0 HB3 ASN A 104 2.469 -13.224 10.326 1.00 3.20 H new ATOM 0 HD21 ASN A 104 0.705 -15.467 12.911 1.00 4.31 H new ATOM 0 HD22 ASN A 104 0.097 -14.492 11.569 1.00 4.31 H new ATOM 1535 N PHE A 105 4.473 -10.410 10.453 1.00 1.90 N ATOM 1536 CA PHE A 105 4.748 -9.333 9.453 1.00 1.74 C ATOM 1537 C PHE A 105 4.965 -9.975 8.078 1.00 1.59 C ATOM 1538 O PHE A 105 5.985 -10.585 7.828 1.00 1.88 O ATOM 1539 CB PHE A 105 6.016 -8.578 9.863 1.00 2.03 C ATOM 1540 CG PHE A 105 5.834 -7.997 11.245 1.00 1.75 C ATOM 1541 CD1 PHE A 105 5.038 -6.860 11.424 1.00 2.28 C ATOM 1542 CD2 PHE A 105 6.460 -8.594 12.347 1.00 2.14 C ATOM 1543 CE1 PHE A 105 4.867 -6.319 12.704 1.00 2.84 C ATOM 1544 CE2 PHE A 105 6.289 -8.053 13.627 1.00 2.60 C ATOM 1545 CZ PHE A 105 5.492 -6.916 13.806 1.00 2.84 C ATOM 0 H PHE A 105 5.301 -10.896 10.799 1.00 1.90 H new ATOM 0 HA PHE A 105 3.907 -8.641 9.411 1.00 1.74 H new ATOM 0 HB2 PHE A 105 6.873 -9.252 9.851 1.00 2.03 H new ATOM 0 HB3 PHE A 105 6.225 -7.783 9.148 1.00 2.03 H new ATOM 0 HD1 PHE A 105 4.555 -6.400 10.575 1.00 2.28 H new ATOM 0 HD2 PHE A 105 7.074 -9.471 12.209 1.00 2.14 H new ATOM 0 HE1 PHE A 105 4.253 -5.441 12.842 1.00 2.84 H new ATOM 0 HE2 PHE A 105 6.772 -8.513 14.476 1.00 2.60 H new ATOM 0 HZ PHE A 105 5.359 -6.499 14.794 1.00 2.84 H new ATOM 1555 N ASN A 106 4.018 -9.852 7.183 1.00 1.85 N ATOM 1556 CA ASN A 106 4.153 -10.454 5.823 1.00 1.93 C ATOM 1557 C ASN A 106 4.026 -9.348 4.775 1.00 1.72 C ATOM 1558 O ASN A 106 3.175 -8.484 4.866 1.00 2.31 O ATOM 1559 CB ASN A 106 3.022 -11.463 5.620 1.00 2.62 C ATOM 1560 CG ASN A 106 2.938 -12.388 6.836 1.00 3.11 C ATOM 1561 OD1 ASN A 106 4.033 -12.731 7.457 1.00 3.46 O flip ATOM 1562 ND2 ASN A 106 1.864 -12.803 7.225 1.00 3.79 N flip ATOM 0 H ASN A 106 3.143 -9.352 7.341 1.00 1.85 H new ATOM 0 HA ASN A 106 5.120 -10.948 5.725 1.00 1.93 H new ATOM 0 HB2 ASN A 106 2.075 -10.941 5.481 1.00 2.62 H new ATOM 0 HB3 ASN A 106 3.199 -12.047 4.717 1.00 2.62 H new ATOM 0 HD21 ASN A 106 1.008 -12.535 6.740 1.00 3.79 H new ATOM 0 HD22 ASN A 106 1.819 -13.419 8.037 1.00 3.79 H new ATOM 1569 N TRP A 107 4.880 -9.363 3.787 1.00 1.54 N ATOM 1570 CA TRP A 107 4.837 -8.307 2.731 1.00 1.68 C ATOM 1571 C TRP A 107 3.514 -8.369 1.970 1.00 1.47 C ATOM 1572 O TRP A 107 3.305 -7.660 1.008 1.00 1.49 O ATOM 1573 CB TRP A 107 6.004 -8.508 1.751 1.00 2.30 C ATOM 1574 CG TRP A 107 7.173 -9.064 2.489 1.00 2.32 C ATOM 1575 CD1 TRP A 107 7.744 -10.263 2.242 1.00 2.69 C ATOM 1576 CD2 TRP A 107 7.917 -8.473 3.591 1.00 2.77 C ATOM 1577 NE1 TRP A 107 8.794 -10.447 3.121 1.00 3.12 N ATOM 1578 CE2 TRP A 107 8.942 -9.370 3.973 1.00 3.35 C ATOM 1579 CE3 TRP A 107 7.805 -7.257 4.289 1.00 3.24 C ATOM 1580 CZ2 TRP A 107 9.824 -9.072 5.011 1.00 4.31 C ATOM 1581 CZ3 TRP A 107 8.692 -6.953 5.335 1.00 4.29 C ATOM 1582 CH2 TRP A 107 9.699 -7.860 5.694 1.00 4.80 C ATOM 0 H TRP A 107 5.610 -10.065 3.664 1.00 1.54 H new ATOM 0 HA TRP A 107 4.924 -7.331 3.208 1.00 1.68 H new ATOM 0 HB2 TRP A 107 5.709 -9.185 0.950 1.00 2.30 H new ATOM 0 HB3 TRP A 107 6.271 -7.559 1.285 1.00 2.30 H new ATOM 0 HD1 TRP A 107 7.431 -10.963 1.482 1.00 2.69 H new ATOM 0 HE1 TRP A 107 9.387 -11.277 3.139 1.00 3.12 H new ATOM 0 HE3 TRP A 107 7.032 -6.553 4.019 1.00 3.24 H new ATOM 0 HZ2 TRP A 107 10.598 -9.773 5.285 1.00 4.31 H new ATOM 0 HZ3 TRP A 107 8.598 -6.017 5.865 1.00 4.29 H new ATOM 0 HH2 TRP A 107 10.378 -7.621 6.499 1.00 4.80 H new ATOM 1593 N GLY A 108 2.638 -9.247 2.369 1.00 1.41 N ATOM 1594 CA GLY A 108 1.336 -9.388 1.657 1.00 1.47 C ATOM 1595 C GLY A 108 0.243 -8.581 2.359 1.00 1.05 C ATOM 1596 O GLY A 108 -0.668 -8.060 1.725 1.00 1.02 O ATOM 0 H GLY A 108 2.767 -9.876 3.161 1.00 1.41 H new ATOM 0 HA2 GLY A 108 1.441 -9.047 0.627 1.00 1.47 H new ATOM 0 HA3 GLY A 108 1.050 -10.439 1.618 1.00 1.47 H new ATOM 1600 N ARG A 109 0.269 -8.505 3.665 1.00 0.86 N ATOM 1601 CA ARG A 109 -0.839 -7.784 4.339 1.00 0.87 C ATOM 1602 C ARG A 109 -0.816 -6.338 3.847 1.00 0.70 C ATOM 1603 O ARG A 109 -1.833 -5.707 3.639 1.00 0.81 O ATOM 1604 CB ARG A 109 -0.643 -7.827 5.869 1.00 1.08 C ATOM 1605 CG ARG A 109 -1.377 -9.017 6.502 1.00 1.48 C ATOM 1606 CD ARG A 109 -0.589 -10.313 6.258 1.00 1.96 C ATOM 1607 NE ARG A 109 -1.504 -11.501 6.345 1.00 2.74 N ATOM 1608 CZ ARG A 109 -2.337 -11.662 7.347 1.00 3.19 C ATOM 1609 NH1 ARG A 109 -2.279 -10.895 8.400 1.00 3.19 N ATOM 1610 NH2 ARG A 109 -3.192 -12.646 7.323 1.00 4.08 N ATOM 0 H ARG A 109 0.987 -8.899 4.273 1.00 0.86 H new ATOM 0 HA ARG A 109 -1.797 -8.250 4.107 1.00 0.87 H new ATOM 0 HB2 ARG A 109 0.421 -7.892 6.098 1.00 1.08 H new ATOM 0 HB3 ARG A 109 -1.008 -6.899 6.309 1.00 1.08 H new ATOM 0 HG2 ARG A 109 -1.498 -8.852 7.573 1.00 1.48 H new ATOM 0 HG3 ARG A 109 -2.377 -9.105 6.078 1.00 1.48 H new ATOM 0 HD2 ARG A 109 -0.116 -10.280 5.276 1.00 1.96 H new ATOM 0 HD3 ARG A 109 0.210 -10.405 6.994 1.00 1.96 H new ATOM 0 HE ARG A 109 -1.477 -12.202 5.605 1.00 2.74 H new ATOM 0 HH11 ARG A 109 -1.578 -10.156 8.454 1.00 3.19 H new ATOM 0 HH12 ARG A 109 -2.934 -11.034 9.169 1.00 3.19 H new ATOM 0 HH21 ARG A 109 -3.211 -13.286 6.529 1.00 4.08 H new ATOM 0 HH22 ARG A 109 -3.842 -12.776 8.099 1.00 4.08 H new ATOM 1624 N VAL A 110 0.374 -5.820 3.681 1.00 0.60 N ATOM 1625 CA VAL A 110 0.539 -4.418 3.223 1.00 0.68 C ATOM 1626 C VAL A 110 -0.191 -4.228 1.903 1.00 0.56 C ATOM 1627 O VAL A 110 -0.717 -3.166 1.644 1.00 0.60 O ATOM 1628 CB VAL A 110 2.031 -4.104 3.045 1.00 0.88 C ATOM 1629 CG1 VAL A 110 2.582 -4.943 1.886 1.00 1.27 C ATOM 1630 CG2 VAL A 110 2.222 -2.620 2.726 1.00 1.73 C ATOM 0 H VAL A 110 1.247 -6.320 3.847 1.00 0.60 H new ATOM 0 HA VAL A 110 0.120 -3.741 3.967 1.00 0.68 H new ATOM 0 HB VAL A 110 2.561 -4.341 3.967 1.00 0.88 H new ATOM 0 HG11 VAL A 110 3.642 -4.727 1.752 1.00 1.27 H new ATOM 0 HG12 VAL A 110 2.453 -6.002 2.110 1.00 1.27 H new ATOM 0 HG13 VAL A 110 2.043 -4.698 0.971 1.00 1.27 H new ATOM 0 HG21 VAL A 110 3.284 -2.408 2.602 1.00 1.73 H new ATOM 0 HG22 VAL A 110 1.693 -2.375 1.805 1.00 1.73 H new ATOM 0 HG23 VAL A 110 1.825 -2.018 3.544 1.00 1.73 H new ATOM 1640 N VAL A 111 -0.249 -5.215 1.053 1.00 0.51 N ATOM 1641 CA VAL A 111 -0.972 -4.989 -0.218 1.00 0.50 C ATOM 1642 C VAL A 111 -2.413 -4.611 0.133 1.00 0.46 C ATOM 1643 O VAL A 111 -2.976 -3.676 -0.400 1.00 0.47 O ATOM 1644 CB VAL A 111 -0.939 -6.263 -1.059 1.00 0.58 C ATOM 1645 CG1 VAL A 111 -1.631 -6.023 -2.401 1.00 1.41 C ATOM 1646 CG2 VAL A 111 0.517 -6.669 -1.299 1.00 1.36 C ATOM 0 H VAL A 111 0.161 -6.140 1.181 1.00 0.51 H new ATOM 0 HA VAL A 111 -0.507 -4.191 -0.797 1.00 0.50 H new ATOM 0 HB VAL A 111 -1.462 -7.059 -0.529 1.00 0.58 H new ATOM 0 HG11 VAL A 111 -1.602 -6.937 -2.994 1.00 1.41 H new ATOM 0 HG12 VAL A 111 -2.668 -5.734 -2.229 1.00 1.41 H new ATOM 0 HG13 VAL A 111 -1.117 -5.226 -2.938 1.00 1.41 H new ATOM 0 HG21 VAL A 111 0.547 -7.578 -1.899 1.00 1.36 H new ATOM 0 HG22 VAL A 111 1.036 -5.869 -1.827 1.00 1.36 H new ATOM 0 HG23 VAL A 111 1.007 -6.850 -0.342 1.00 1.36 H new ATOM 1656 N ALA A 112 -2.996 -5.328 1.066 1.00 0.45 N ATOM 1657 CA ALA A 112 -4.396 -5.011 1.504 1.00 0.47 C ATOM 1658 C ALA A 112 -4.459 -3.570 2.027 1.00 0.46 C ATOM 1659 O ALA A 112 -5.453 -2.891 1.863 1.00 0.54 O ATOM 1660 CB ALA A 112 -4.837 -5.973 2.611 1.00 0.53 C ATOM 0 H ALA A 112 -2.564 -6.119 1.543 1.00 0.45 H new ATOM 0 HA ALA A 112 -5.064 -5.121 0.650 1.00 0.47 H new ATOM 0 HB1 ALA A 112 -5.854 -5.731 2.919 1.00 0.53 H new ATOM 0 HB2 ALA A 112 -4.804 -6.997 2.238 1.00 0.53 H new ATOM 0 HB3 ALA A 112 -4.167 -5.877 3.465 1.00 0.53 H new ATOM 1666 N LEU A 113 -3.413 -3.084 2.623 1.00 0.43 N ATOM 1667 CA LEU A 113 -3.422 -1.674 3.115 1.00 0.43 C ATOM 1668 C LEU A 113 -3.395 -0.716 1.918 1.00 0.42 C ATOM 1669 O LEU A 113 -4.156 0.229 1.839 1.00 0.45 O ATOM 1670 CB LEU A 113 -2.160 -1.431 3.955 1.00 0.44 C ATOM 1671 CG LEU A 113 -2.132 0.022 4.481 1.00 0.51 C ATOM 1672 CD1 LEU A 113 -3.411 0.347 5.281 1.00 1.45 C ATOM 1673 CD2 LEU A 113 -0.915 0.197 5.393 1.00 1.27 C ATOM 0 H LEU A 113 -2.549 -3.598 2.794 1.00 0.43 H new ATOM 0 HA LEU A 113 -4.318 -1.503 3.712 1.00 0.43 H new ATOM 0 HB2 LEU A 113 -2.134 -2.128 4.793 1.00 0.44 H new ATOM 0 HB3 LEU A 113 -1.272 -1.623 3.352 1.00 0.44 H new ATOM 0 HG LEU A 113 -2.075 0.699 3.629 1.00 0.51 H new ATOM 0 HD11 LEU A 113 -3.365 1.375 5.639 1.00 1.45 H new ATOM 0 HD12 LEU A 113 -4.283 0.226 4.638 1.00 1.45 H new ATOM 0 HD13 LEU A 113 -3.490 -0.330 6.131 1.00 1.45 H new ATOM 0 HD21 LEU A 113 -0.886 1.220 5.769 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -0.986 -0.496 6.231 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -0.005 -0.007 4.829 1.00 1.27 H new ATOM 1685 N PHE A 114 -2.506 -0.960 0.995 1.00 0.40 N ATOM 1686 CA PHE A 114 -2.373 -0.090 -0.214 1.00 0.40 C ATOM 1687 C PHE A 114 -3.714 0.043 -0.944 1.00 0.39 C ATOM 1688 O PHE A 114 -4.085 1.109 -1.393 1.00 0.41 O ATOM 1689 CB PHE A 114 -1.337 -0.722 -1.152 1.00 0.41 C ATOM 1690 CG PHE A 114 0.090 -0.499 -0.646 1.00 0.44 C ATOM 1691 CD1 PHE A 114 0.369 -0.087 0.682 1.00 1.29 C ATOM 1692 CD2 PHE A 114 1.154 -0.715 -1.533 1.00 1.27 C ATOM 1693 CE1 PHE A 114 1.695 0.102 1.091 1.00 1.38 C ATOM 1694 CE2 PHE A 114 2.476 -0.523 -1.113 1.00 1.27 C ATOM 1695 CZ PHE A 114 2.746 -0.114 0.196 1.00 0.68 C ATOM 0 H PHE A 114 -1.851 -1.742 1.026 1.00 0.40 H new ATOM 0 HA PHE A 114 -2.056 0.907 0.093 1.00 0.40 H new ATOM 0 HB2 PHE A 114 -1.530 -1.791 -1.240 1.00 0.41 H new ATOM 0 HB3 PHE A 114 -1.441 -0.296 -2.150 1.00 0.41 H new ATOM 0 HD1 PHE A 114 -0.440 0.081 1.377 1.00 1.29 H new ATOM 0 HD2 PHE A 114 0.953 -1.031 -2.546 1.00 1.27 H new ATOM 0 HE1 PHE A 114 1.906 0.416 2.103 1.00 1.38 H new ATOM 0 HE2 PHE A 114 3.290 -0.692 -1.803 1.00 1.27 H new ATOM 0 HZ PHE A 114 3.767 0.035 0.516 1.00 0.68 H new ATOM 1705 N TYR A 115 -4.437 -1.035 -1.074 1.00 0.40 N ATOM 1706 CA TYR A 115 -5.747 -0.974 -1.784 1.00 0.41 C ATOM 1707 C TYR A 115 -6.796 -0.312 -0.890 1.00 0.41 C ATOM 1708 O TYR A 115 -7.693 0.360 -1.361 1.00 0.44 O ATOM 1709 CB TYR A 115 -6.207 -2.392 -2.146 1.00 0.44 C ATOM 1710 CG TYR A 115 -7.281 -2.320 -3.207 1.00 0.47 C ATOM 1711 CD1 TYR A 115 -8.623 -2.160 -2.839 1.00 1.24 C ATOM 1712 CD2 TYR A 115 -6.933 -2.410 -4.559 1.00 1.28 C ATOM 1713 CE1 TYR A 115 -9.616 -2.091 -3.825 1.00 1.26 C ATOM 1714 CE2 TYR A 115 -7.924 -2.339 -5.544 1.00 1.32 C ATOM 1715 CZ TYR A 115 -9.266 -2.180 -5.177 1.00 0.61 C ATOM 1716 OH TYR A 115 -10.243 -2.110 -6.150 1.00 0.70 O ATOM 0 H TYR A 115 -4.178 -1.956 -0.720 1.00 0.40 H new ATOM 0 HA TYR A 115 -5.628 -0.386 -2.694 1.00 0.41 H new ATOM 0 HB2 TYR A 115 -5.362 -2.978 -2.508 1.00 0.44 H new ATOM 0 HB3 TYR A 115 -6.590 -2.898 -1.260 1.00 0.44 H new ATOM 0 HD1 TYR A 115 -8.892 -2.090 -1.795 1.00 1.24 H new ATOM 0 HD2 TYR A 115 -5.898 -2.534 -4.843 1.00 1.28 H new ATOM 0 HE1 TYR A 115 -10.651 -1.969 -3.542 1.00 1.26 H new ATOM 0 HE2 TYR A 115 -7.654 -2.407 -6.587 1.00 1.32 H new ATOM 0 HH TYR A 115 -10.813 -1.330 -5.986 1.00 0.70 H new ATOM 1726 N PHE A 116 -6.684 -0.486 0.395 1.00 0.38 N ATOM 1727 CA PHE A 116 -7.672 0.146 1.310 1.00 0.38 C ATOM 1728 C PHE A 116 -7.596 1.668 1.156 1.00 0.36 C ATOM 1729 O PHE A 116 -8.600 2.351 1.053 1.00 0.35 O ATOM 1730 CB PHE A 116 -7.338 -0.224 2.759 1.00 0.40 C ATOM 1731 CG PHE A 116 -8.467 0.209 3.666 1.00 0.37 C ATOM 1732 CD1 PHE A 116 -9.597 -0.604 3.817 1.00 1.35 C ATOM 1733 CD2 PHE A 116 -8.383 1.425 4.357 1.00 1.17 C ATOM 1734 CE1 PHE A 116 -10.642 -0.202 4.657 1.00 1.37 C ATOM 1735 CE2 PHE A 116 -9.429 1.826 5.197 1.00 1.18 C ATOM 1736 CZ PHE A 116 -10.559 1.012 5.347 1.00 0.45 C ATOM 0 H PHE A 116 -5.955 -1.036 0.850 1.00 0.38 H new ATOM 0 HA PHE A 116 -8.674 -0.206 1.063 1.00 0.38 H new ATOM 0 HB2 PHE A 116 -7.182 -1.299 2.844 1.00 0.40 H new ATOM 0 HB3 PHE A 116 -6.409 0.258 3.063 1.00 0.40 H new ATOM 0 HD1 PHE A 116 -9.662 -1.542 3.285 1.00 1.35 H new ATOM 0 HD2 PHE A 116 -7.512 2.053 4.242 1.00 1.17 H new ATOM 0 HE1 PHE A 116 -11.513 -0.830 4.773 1.00 1.37 H new ATOM 0 HE2 PHE A 116 -9.365 2.763 5.730 1.00 1.18 H new ATOM 0 HZ PHE A 116 -11.366 1.321 5.995 1.00 0.45 H new ATOM 1746 N ALA A 117 -6.407 2.205 1.127 1.00 0.35 N ATOM 1747 CA ALA A 117 -6.259 3.673 0.971 1.00 0.34 C ATOM 1748 C ALA A 117 -6.655 4.090 -0.448 1.00 0.34 C ATOM 1749 O ALA A 117 -7.219 5.142 -0.653 1.00 0.34 O ATOM 1750 CB ALA A 117 -4.803 4.074 1.228 1.00 0.37 C ATOM 0 H ALA A 117 -5.532 1.686 1.205 1.00 0.35 H new ATOM 0 HA ALA A 117 -6.909 4.173 1.689 1.00 0.34 H new ATOM 0 HB1 ALA A 117 -4.697 5.153 1.113 1.00 0.37 H new ATOM 0 HB2 ALA A 117 -4.520 3.788 2.241 1.00 0.37 H new ATOM 0 HB3 ALA A 117 -4.154 3.567 0.513 1.00 0.37 H new ATOM 1756 N SER A 118 -6.368 3.276 -1.433 1.00 0.35 N ATOM 1757 CA SER A 118 -6.719 3.631 -2.841 1.00 0.37 C ATOM 1758 C SER A 118 -8.179 4.079 -2.954 1.00 0.36 C ATOM 1759 O SER A 118 -8.492 5.062 -3.597 1.00 0.36 O ATOM 1760 CB SER A 118 -6.498 2.396 -3.715 1.00 0.42 C ATOM 1761 OG SER A 118 -6.312 2.799 -5.065 1.00 1.25 O ATOM 0 H SER A 118 -5.903 2.375 -1.321 1.00 0.35 H new ATOM 0 HA SER A 118 -6.088 4.458 -3.167 1.00 0.37 H new ATOM 0 HB2 SER A 118 -5.627 1.842 -3.366 1.00 0.42 H new ATOM 0 HB3 SER A 118 -7.354 1.725 -3.639 1.00 0.42 H new ATOM 0 HG SER A 118 -5.717 2.165 -5.517 1.00 1.25 H new ATOM 1767 N LYS A 119 -9.064 3.378 -2.305 1.00 0.37 N ATOM 1768 CA LYS A 119 -10.502 3.770 -2.335 1.00 0.39 C ATOM 1769 C LYS A 119 -10.635 5.112 -1.606 1.00 0.36 C ATOM 1770 O LYS A 119 -11.237 6.036 -2.114 1.00 0.38 O ATOM 1771 CB LYS A 119 -11.350 2.680 -1.645 1.00 0.46 C ATOM 1772 CG LYS A 119 -11.896 1.692 -2.686 1.00 1.29 C ATOM 1773 CD LYS A 119 -12.622 0.549 -1.972 1.00 1.84 C ATOM 1774 CE LYS A 119 -13.417 -0.270 -2.991 1.00 2.48 C ATOM 1775 NZ LYS A 119 -14.539 0.554 -3.524 1.00 3.36 N ATOM 0 H LYS A 119 -8.854 2.547 -1.752 1.00 0.37 H new ATOM 0 HA LYS A 119 -10.859 3.872 -3.360 1.00 0.39 H new ATOM 0 HB2 LYS A 119 -10.744 2.148 -0.911 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -12.176 3.141 -1.103 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -12.579 2.203 -3.365 1.00 1.29 H new ATOM 0 HG3 LYS A 119 -11.080 1.297 -3.291 1.00 1.29 H new ATOM 0 HD2 LYS A 119 -11.902 -0.089 -1.460 1.00 1.84 H new ATOM 0 HD3 LYS A 119 -13.291 0.949 -1.210 1.00 1.84 H new ATOM 0 HE2 LYS A 119 -12.766 -0.588 -3.806 1.00 2.48 H new ATOM 0 HE3 LYS A 119 -13.806 -1.174 -2.523 1.00 2.48 H new ATOM 0 HZ1 LYS A 119 -15.420 0.002 -3.495 1.00 3.36 H new ATOM 0 HZ2 LYS A 119 -14.648 1.410 -2.943 1.00 3.36 H new ATOM 0 HZ3 LYS A 119 -14.333 0.827 -4.506 1.00 3.36 H new ATOM 1789 N LEU A 120 -10.053 5.254 -0.449 1.00 0.36 N ATOM 1790 CA LEU A 120 -10.135 6.571 0.251 1.00 0.35 C ATOM 1791 C LEU A 120 -9.707 7.677 -0.725 1.00 0.33 C ATOM 1792 O LEU A 120 -10.342 8.706 -0.834 1.00 0.39 O ATOM 1793 CB LEU A 120 -9.196 6.556 1.459 1.00 0.36 C ATOM 1794 CG LEU A 120 -9.558 5.385 2.388 1.00 0.68 C ATOM 1795 CD1 LEU A 120 -8.696 5.464 3.650 1.00 1.69 C ATOM 1796 CD2 LEU A 120 -11.046 5.451 2.783 1.00 1.28 C ATOM 0 H LEU A 120 -9.530 4.527 0.040 1.00 0.36 H new ATOM 0 HA LEU A 120 -11.155 6.755 0.590 1.00 0.35 H new ATOM 0 HB2 LEU A 120 -8.162 6.462 1.126 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -9.271 7.499 2.001 1.00 0.36 H new ATOM 0 HG LEU A 120 -9.375 4.446 1.865 1.00 0.68 H new ATOM 0 HD11 LEU A 120 -8.947 4.637 4.314 1.00 1.69 H new ATOM 0 HD12 LEU A 120 -7.643 5.403 3.376 1.00 1.69 H new ATOM 0 HD13 LEU A 120 -8.884 6.409 4.160 1.00 1.69 H new ATOM 0 HD21 LEU A 120 -11.285 4.615 3.440 1.00 1.28 H new ATOM 0 HD22 LEU A 120 -11.243 6.389 3.302 1.00 1.28 H new ATOM 0 HD23 LEU A 120 -11.663 5.396 1.886 1.00 1.28 H new ATOM 1808 N VAL A 121 -8.653 7.444 -1.461 1.00 0.33 N ATOM 1809 CA VAL A 121 -8.181 8.439 -2.470 1.00 0.39 C ATOM 1810 C VAL A 121 -9.167 8.485 -3.642 1.00 0.36 C ATOM 1811 O VAL A 121 -9.808 9.490 -3.880 1.00 0.39 O ATOM 1812 CB VAL A 121 -6.784 8.055 -2.969 1.00 0.54 C ATOM 1813 CG1 VAL A 121 -6.258 9.164 -3.884 1.00 0.95 C ATOM 1814 CG2 VAL A 121 -5.839 7.913 -1.770 1.00 1.18 C ATOM 0 H VAL A 121 -8.091 6.595 -1.405 1.00 0.33 H new ATOM 0 HA VAL A 121 -8.128 9.425 -2.009 1.00 0.39 H new ATOM 0 HB VAL A 121 -6.836 7.112 -3.514 1.00 0.54 H new ATOM 0 HG11 VAL A 121 -5.264 8.898 -4.243 1.00 0.95 H new ATOM 0 HG12 VAL A 121 -6.931 9.285 -4.733 1.00 0.95 H new ATOM 0 HG13 VAL A 121 -6.204 10.100 -3.328 1.00 0.95 H new ATOM 0 HG21 VAL A 121 -4.844 7.640 -2.121 1.00 1.18 H new ATOM 0 HG22 VAL A 121 -5.787 8.860 -1.234 1.00 1.18 H new ATOM 0 HG23 VAL A 121 -6.213 7.138 -1.102 1.00 1.18 H new ATOM 1824 N LEU A 122 -9.298 7.414 -4.380 1.00 0.37 N ATOM 1825 CA LEU A 122 -10.249 7.412 -5.531 1.00 0.39 C ATOM 1826 C LEU A 122 -11.604 7.966 -5.082 1.00 0.40 C ATOM 1827 O LEU A 122 -12.114 8.905 -5.660 1.00 0.40 O ATOM 1828 CB LEU A 122 -10.408 5.974 -6.075 1.00 0.42 C ATOM 1829 CG LEU A 122 -9.452 5.741 -7.253 1.00 0.72 C ATOM 1830 CD1 LEU A 122 -8.005 5.859 -6.775 1.00 1.15 C ATOM 1831 CD2 LEU A 122 -9.687 4.341 -7.826 1.00 1.24 C ATOM 0 H LEU A 122 -8.789 6.542 -4.236 1.00 0.37 H new ATOM 0 HA LEU A 122 -9.857 8.046 -6.327 1.00 0.39 H new ATOM 0 HB2 LEU A 122 -10.203 5.254 -5.283 1.00 0.42 H new ATOM 0 HB3 LEU A 122 -11.437 5.811 -6.395 1.00 0.42 H new ATOM 0 HG LEU A 122 -9.638 6.489 -8.024 1.00 0.72 H new ATOM 0 HD11 LEU A 122 -7.330 5.693 -7.614 1.00 1.15 H new ATOM 0 HD12 LEU A 122 -7.837 6.855 -6.366 1.00 1.15 H new ATOM 0 HD13 LEU A 122 -7.815 5.113 -6.003 1.00 1.15 H new ATOM 0 HD21 LEU A 122 -9.010 4.172 -8.663 1.00 1.24 H new ATOM 0 HD22 LEU A 122 -9.501 3.596 -7.053 1.00 1.24 H new ATOM 0 HD23 LEU A 122 -10.718 4.257 -8.171 1.00 1.24 H new ATOM 1843 N LYS A 123 -12.192 7.416 -4.063 1.00 0.51 N ATOM 1844 CA LYS A 123 -13.503 7.952 -3.613 1.00 0.55 C ATOM 1845 C LYS A 123 -13.391 9.472 -3.436 1.00 0.54 C ATOM 1846 O LYS A 123 -14.352 10.193 -3.608 1.00 0.55 O ATOM 1847 CB LYS A 123 -13.903 7.294 -2.290 1.00 0.59 C ATOM 1848 CG LYS A 123 -14.213 5.816 -2.542 1.00 0.97 C ATOM 1849 CD LYS A 123 -14.428 5.092 -1.208 1.00 1.37 C ATOM 1850 CE LYS A 123 -15.645 5.679 -0.480 1.00 1.74 C ATOM 1851 NZ LYS A 123 -15.221 6.865 0.316 1.00 2.32 N ATOM 0 H LYS A 123 -11.829 6.628 -3.527 1.00 0.51 H new ATOM 0 HA LYS A 123 -14.267 7.732 -4.358 1.00 0.55 H new ATOM 0 HB2 LYS A 123 -13.097 7.391 -1.563 1.00 0.59 H new ATOM 0 HB3 LYS A 123 -14.775 7.795 -1.869 1.00 0.59 H new ATOM 0 HG2 LYS A 123 -15.104 5.723 -3.163 1.00 0.97 H new ATOM 0 HG3 LYS A 123 -13.393 5.352 -3.089 1.00 0.97 H new ATOM 0 HD2 LYS A 123 -14.578 4.027 -1.383 1.00 1.37 H new ATOM 0 HD3 LYS A 123 -13.539 5.190 -0.585 1.00 1.37 H new ATOM 0 HE2 LYS A 123 -16.410 5.966 -1.201 1.00 1.74 H new ATOM 0 HE3 LYS A 123 -16.089 4.928 0.174 1.00 1.74 H new ATOM 0 HZ1 LYS A 123 -15.489 6.729 1.312 1.00 2.32 H new ATOM 0 HZ2 LYS A 123 -14.190 6.979 0.247 1.00 2.32 H new ATOM 0 HZ3 LYS A 123 -15.688 7.717 -0.055 1.00 2.32 H new ATOM 1865 N ALA A 124 -12.232 9.963 -3.071 1.00 0.52 N ATOM 1866 CA ALA A 124 -12.077 11.436 -2.856 1.00 0.52 C ATOM 1867 C ALA A 124 -11.941 12.180 -4.191 1.00 0.51 C ATOM 1868 O ALA A 124 -12.407 13.292 -4.344 1.00 0.54 O ATOM 1869 CB ALA A 124 -10.851 11.699 -1.991 1.00 0.51 C ATOM 0 H ALA A 124 -11.389 9.410 -2.913 1.00 0.52 H new ATOM 0 HA ALA A 124 -12.970 11.805 -2.352 1.00 0.52 H new ATOM 0 HB1 ALA A 124 -10.739 12.772 -1.835 1.00 0.51 H new ATOM 0 HB2 ALA A 124 -10.972 11.203 -1.028 1.00 0.51 H new ATOM 0 HB3 ALA A 124 -9.963 11.310 -2.490 1.00 0.51 H new ATOM 1875 N LEU A 125 -11.330 11.558 -5.162 1.00 0.47 N ATOM 1876 CA LEU A 125 -11.181 12.194 -6.502 1.00 0.47 C ATOM 1877 C LEU A 125 -12.572 12.452 -7.099 1.00 0.48 C ATOM 1878 O LEU A 125 -12.824 13.499 -7.659 1.00 0.48 O ATOM 1879 CB LEU A 125 -10.391 11.238 -7.426 1.00 0.51 C ATOM 1880 CG LEU A 125 -8.870 11.373 -7.170 1.00 0.49 C ATOM 1881 CD1 LEU A 125 -8.125 10.262 -7.923 1.00 1.10 C ATOM 1882 CD2 LEU A 125 -8.347 12.739 -7.668 1.00 1.21 C ATOM 0 H LEU A 125 -10.923 10.626 -5.083 1.00 0.47 H new ATOM 0 HA LEU A 125 -10.647 13.140 -6.408 1.00 0.47 H new ATOM 0 HB2 LEU A 125 -10.706 10.209 -7.250 1.00 0.51 H new ATOM 0 HB3 LEU A 125 -10.612 11.465 -8.469 1.00 0.51 H new ATOM 0 HG LEU A 125 -8.696 11.293 -6.097 1.00 0.49 H new ATOM 0 HD11 LEU A 125 -7.054 10.356 -7.744 1.00 1.10 H new ATOM 0 HD12 LEU A 125 -8.468 9.290 -7.570 1.00 1.10 H new ATOM 0 HD13 LEU A 125 -8.323 10.350 -8.991 1.00 1.10 H new ATOM 0 HD21 LEU A 125 -7.276 12.810 -7.477 1.00 1.21 H new ATOM 0 HD22 LEU A 125 -8.532 12.831 -8.738 1.00 1.21 H new ATOM 0 HD23 LEU A 125 -8.864 13.541 -7.140 1.00 1.21 H new ATOM 1894 N CYS A 126 -13.474 11.511 -7.001 1.00 0.52 N ATOM 1895 CA CYS A 126 -14.835 11.720 -7.584 1.00 0.57 C ATOM 1896 C CYS A 126 -15.595 12.763 -6.775 1.00 0.57 C ATOM 1897 O CYS A 126 -16.540 13.371 -7.236 1.00 0.68 O ATOM 1898 CB CYS A 126 -15.618 10.409 -7.525 1.00 0.66 C ATOM 1899 SG CYS A 126 -14.729 9.123 -8.435 1.00 1.67 S ATOM 0 H CYS A 126 -13.330 10.610 -6.545 1.00 0.52 H new ATOM 0 HA CYS A 126 -14.726 12.056 -8.615 1.00 0.57 H new ATOM 0 HB2 CYS A 126 -15.756 10.104 -6.488 1.00 0.66 H new ATOM 0 HB3 CYS A 126 -16.611 10.549 -7.951 1.00 0.66 H new ATOM 0 HG CYS A 126 -15.399 8.010 -8.379 1.00 1.67 H new ATOM 1905 N THR A 127 -15.165 12.978 -5.570 1.00 0.57 N ATOM 1906 CA THR A 127 -15.851 13.986 -4.715 1.00 0.60 C ATOM 1907 C THR A 127 -15.280 15.362 -5.062 1.00 0.62 C ATOM 1908 O THR A 127 -15.766 16.390 -4.639 1.00 0.70 O ATOM 1909 CB THR A 127 -15.601 13.666 -3.217 1.00 0.60 C ATOM 1910 OG1 THR A 127 -15.065 12.365 -3.102 1.00 1.14 O ATOM 1911 CG2 THR A 127 -16.930 13.723 -2.443 1.00 1.19 C ATOM 0 H THR A 127 -14.372 12.504 -5.138 1.00 0.57 H new ATOM 0 HA THR A 127 -16.926 13.968 -4.892 1.00 0.60 H new ATOM 0 HB THR A 127 -14.905 14.398 -2.806 1.00 0.60 H new ATOM 0 HG1 THR A 127 -15.594 11.744 -3.645 1.00 1.14 H new ATOM 0 HG21 THR A 127 -16.749 13.498 -1.392 1.00 1.19 H new ATOM 0 HG22 THR A 127 -17.360 14.721 -2.531 1.00 1.19 H new ATOM 0 HG23 THR A 127 -17.624 12.991 -2.857 1.00 1.19 H new ATOM 1919 N LYS A 128 -14.209 15.341 -5.826 1.00 0.60 N ATOM 1920 CA LYS A 128 -13.507 16.591 -6.237 1.00 0.70 C ATOM 1921 C LYS A 128 -13.005 17.336 -5.003 1.00 0.61 C ATOM 1922 O LYS A 128 -13.386 18.467 -4.775 1.00 0.60 O ATOM 1923 CB LYS A 128 -14.425 17.496 -7.067 1.00 0.87 C ATOM 1924 CG LYS A 128 -14.715 16.841 -8.423 1.00 1.12 C ATOM 1925 CD LYS A 128 -15.704 17.708 -9.228 1.00 1.43 C ATOM 1926 CE LYS A 128 -17.148 17.330 -8.875 1.00 1.83 C ATOM 1927 NZ LYS A 128 -18.089 18.214 -9.621 1.00 2.47 N ATOM 0 H LYS A 128 -13.787 14.486 -6.187 1.00 0.60 H new ATOM 0 HA LYS A 128 -12.656 16.315 -6.860 1.00 0.70 H new ATOM 0 HB2 LYS A 128 -15.358 17.672 -6.531 1.00 0.87 H new ATOM 0 HB3 LYS A 128 -13.954 18.468 -7.216 1.00 0.87 H new ATOM 0 HG2 LYS A 128 -13.788 16.718 -8.982 1.00 1.12 H new ATOM 0 HG3 LYS A 128 -15.131 15.845 -8.273 1.00 1.12 H new ATOM 0 HD2 LYS A 128 -15.533 18.763 -9.012 1.00 1.43 H new ATOM 0 HD3 LYS A 128 -15.535 17.570 -10.296 1.00 1.43 H new ATOM 0 HE2 LYS A 128 -17.334 16.286 -9.128 1.00 1.83 H new ATOM 0 HE3 LYS A 128 -17.310 17.432 -7.802 1.00 1.83 H new ATOM 0 HZ1 LYS A 128 -19.068 17.958 -9.382 1.00 2.47 H new ATOM 0 HZ2 LYS A 128 -17.916 19.205 -9.358 1.00 2.47 H new ATOM 0 HZ3 LYS A 128 -17.940 18.096 -10.643 1.00 2.47 H new ATOM 1941 N VAL A 129 -12.131 16.737 -4.209 1.00 0.60 N ATOM 1942 CA VAL A 129 -11.589 17.451 -3.003 1.00 0.53 C ATOM 1943 C VAL A 129 -10.056 17.246 -2.964 1.00 0.53 C ATOM 1944 O VAL A 129 -9.582 16.393 -2.239 1.00 0.56 O ATOM 1945 CB VAL A 129 -12.228 16.849 -1.744 1.00 0.57 C ATOM 1946 CG1 VAL A 129 -11.687 17.543 -0.493 1.00 1.40 C ATOM 1947 CG2 VAL A 129 -13.747 17.024 -1.812 1.00 1.22 C ATOM 0 H VAL A 129 -11.775 15.791 -4.347 1.00 0.60 H new ATOM 0 HA VAL A 129 -11.817 18.516 -3.049 1.00 0.53 H new ATOM 0 HB VAL A 129 -11.982 15.788 -1.692 1.00 0.57 H new ATOM 0 HG11 VAL A 129 -12.148 17.107 0.393 1.00 1.40 H new ATOM 0 HG12 VAL A 129 -10.606 17.411 -0.442 1.00 1.40 H new ATOM 0 HG13 VAL A 129 -11.921 18.607 -0.537 1.00 1.40 H new ATOM 0 HG21 VAL A 129 -14.203 16.597 -0.919 1.00 1.22 H new ATOM 0 HG22 VAL A 129 -13.989 18.085 -1.871 1.00 1.22 H new ATOM 0 HG23 VAL A 129 -14.133 16.515 -2.695 1.00 1.22 H new ATOM 1957 N PRO A 130 -9.314 18.004 -3.762 1.00 0.62 N ATOM 1958 CA PRO A 130 -7.840 17.861 -3.822 1.00 0.73 C ATOM 1959 C PRO A 130 -7.214 18.112 -2.444 1.00 0.65 C ATOM 1960 O PRO A 130 -6.122 17.652 -2.151 1.00 0.64 O ATOM 1961 CB PRO A 130 -7.369 18.862 -4.897 1.00 1.00 C ATOM 1962 CG PRO A 130 -8.637 19.607 -5.419 1.00 1.00 C ATOM 1963 CD PRO A 130 -9.864 19.049 -4.653 1.00 0.75 C ATOM 0 HA PRO A 130 -7.528 16.852 -4.090 1.00 0.73 H new ATOM 0 HB2 PRO A 130 -6.653 19.569 -4.478 1.00 1.00 H new ATOM 0 HB3 PRO A 130 -6.865 18.343 -5.712 1.00 1.00 H new ATOM 0 HG2 PRO A 130 -8.542 20.681 -5.258 1.00 1.00 H new ATOM 0 HG3 PRO A 130 -8.755 19.455 -6.492 1.00 1.00 H new ATOM 0 HD2 PRO A 130 -10.363 19.832 -4.082 1.00 0.75 H new ATOM 0 HD3 PRO A 130 -10.603 18.635 -5.339 1.00 0.75 H new ATOM 1971 N GLU A 131 -7.915 18.773 -1.580 1.00 0.73 N ATOM 1972 CA GLU A 131 -7.397 18.991 -0.206 1.00 0.82 C ATOM 1973 C GLU A 131 -7.230 17.654 0.523 1.00 0.72 C ATOM 1974 O GLU A 131 -6.321 17.458 1.297 1.00 0.73 O ATOM 1975 CB GLU A 131 -8.437 19.782 0.599 1.00 1.09 C ATOM 1976 CG GLU A 131 -7.796 20.191 1.943 1.00 1.55 C ATOM 1977 CD GLU A 131 -8.710 21.150 2.703 1.00 2.17 C ATOM 1978 OE1 GLU A 131 -8.752 22.311 2.333 1.00 2.86 O ATOM 1979 OE2 GLU A 131 -9.334 20.711 3.654 1.00 2.52 O ATOM 0 H GLU A 131 -8.833 19.177 -1.765 1.00 0.73 H new ATOM 0 HA GLU A 131 -6.444 19.515 -0.284 1.00 0.82 H new ATOM 0 HB2 GLU A 131 -8.755 20.665 0.045 1.00 1.09 H new ATOM 0 HB3 GLU A 131 -9.326 19.176 0.771 1.00 1.09 H new ATOM 0 HG2 GLU A 131 -7.607 19.304 2.547 1.00 1.55 H new ATOM 0 HG3 GLU A 131 -6.831 20.665 1.763 1.00 1.55 H new ATOM 1986 N LEU A 132 -8.151 16.741 0.297 1.00 0.71 N ATOM 1987 CA LEU A 132 -8.130 15.421 0.990 1.00 0.69 C ATOM 1988 C LEU A 132 -7.202 14.415 0.297 1.00 0.58 C ATOM 1989 O LEU A 132 -6.432 13.748 0.958 1.00 0.59 O ATOM 1990 CB LEU A 132 -9.559 14.868 1.051 1.00 0.80 C ATOM 1991 CG LEU A 132 -9.643 13.672 2.019 1.00 0.60 C ATOM 1992 CD1 LEU A 132 -9.832 14.164 3.460 1.00 1.11 C ATOM 1993 CD2 LEU A 132 -10.841 12.790 1.645 1.00 0.77 C ATOM 0 H LEU A 132 -8.928 16.864 -0.352 1.00 0.71 H new ATOM 0 HA LEU A 132 -7.739 15.571 1.996 1.00 0.69 H new ATOM 0 HB2 LEU A 132 -10.243 15.652 1.375 1.00 0.80 H new ATOM 0 HB3 LEU A 132 -9.877 14.559 0.055 1.00 0.80 H new ATOM 0 HG LEU A 132 -8.716 13.103 1.946 1.00 0.60 H new ATOM 0 HD11 LEU A 132 -9.890 13.308 4.132 1.00 1.11 H new ATOM 0 HD12 LEU A 132 -8.987 14.792 3.744 1.00 1.11 H new ATOM 0 HD13 LEU A 132 -10.753 14.742 3.529 1.00 1.11 H new ATOM 0 HD21 LEU A 132 -10.899 11.945 2.331 1.00 0.77 H new ATOM 0 HD22 LEU A 132 -11.758 13.375 1.712 1.00 0.77 H new ATOM 0 HD23 LEU A 132 -10.718 12.423 0.626 1.00 0.77 H new ATOM 2005 N ILE A 133 -7.243 14.289 -1.005 1.00 0.52 N ATOM 2006 CA ILE A 133 -6.325 13.315 -1.687 1.00 0.46 C ATOM 2007 C ILE A 133 -4.914 13.465 -1.098 1.00 0.43 C ATOM 2008 O ILE A 133 -4.271 12.502 -0.732 1.00 0.46 O ATOM 2009 CB ILE A 133 -6.317 13.623 -3.202 1.00 0.45 C ATOM 2010 CG1 ILE A 133 -7.559 12.986 -3.886 1.00 0.42 C ATOM 2011 CG2 ILE A 133 -5.063 13.046 -3.886 1.00 0.49 C ATOM 2012 CD1 ILE A 133 -8.796 13.873 -3.757 1.00 1.19 C ATOM 0 H ILE A 133 -7.864 14.811 -1.624 1.00 0.52 H new ATOM 0 HA ILE A 133 -6.664 12.291 -1.532 1.00 0.46 H new ATOM 0 HB ILE A 133 -6.328 14.708 -3.308 1.00 0.45 H new ATOM 0 HG12 ILE A 133 -7.344 12.813 -4.941 1.00 0.42 H new ATOM 0 HG13 ILE A 133 -7.761 12.013 -3.438 1.00 0.42 H new ATOM 0 HG21 ILE A 133 -5.089 13.280 -4.950 1.00 0.49 H new ATOM 0 HG22 ILE A 133 -4.171 13.484 -3.439 1.00 0.49 H new ATOM 0 HG23 ILE A 133 -5.041 11.964 -3.753 1.00 0.49 H new ATOM 0 HD11 ILE A 133 -9.642 13.392 -4.248 1.00 1.19 H new ATOM 0 HD12 ILE A 133 -9.027 14.024 -2.703 1.00 1.19 H new ATOM 0 HD13 ILE A 133 -8.603 14.837 -4.228 1.00 1.19 H new ATOM 2024 N ARG A 134 -4.448 14.678 -0.984 1.00 0.42 N ATOM 2025 CA ARG A 134 -3.097 14.914 -0.396 1.00 0.43 C ATOM 2026 C ARG A 134 -3.103 14.514 1.088 1.00 0.40 C ATOM 2027 O ARG A 134 -2.135 13.981 1.594 1.00 0.39 O ATOM 2028 CB ARG A 134 -2.749 16.400 -0.532 1.00 0.51 C ATOM 2029 CG ARG A 134 -2.824 16.804 -2.008 1.00 1.26 C ATOM 2030 CD ARG A 134 -2.579 18.309 -2.145 1.00 1.57 C ATOM 2031 NE ARG A 134 -1.210 18.635 -1.656 1.00 2.30 N ATOM 2032 CZ ARG A 134 -0.672 19.789 -1.944 1.00 2.86 C ATOM 2033 NH1 ARG A 134 -1.331 20.657 -2.662 1.00 2.98 N ATOM 2034 NH2 ARG A 134 0.526 20.075 -1.513 1.00 3.71 N ATOM 0 H ARG A 134 -4.946 15.520 -1.274 1.00 0.42 H new ATOM 0 HA ARG A 134 -2.354 14.314 -0.922 1.00 0.43 H new ATOM 0 HB2 ARG A 134 -3.440 17.003 0.058 1.00 0.51 H new ATOM 0 HB3 ARG A 134 -1.749 16.588 -0.142 1.00 0.51 H new ATOM 0 HG2 ARG A 134 -2.082 16.251 -2.584 1.00 1.26 H new ATOM 0 HG3 ARG A 134 -3.801 16.546 -2.416 1.00 1.26 H new ATOM 0 HD2 ARG A 134 -2.687 18.613 -3.186 1.00 1.57 H new ATOM 0 HD3 ARG A 134 -3.323 18.863 -1.573 1.00 1.57 H new ATOM 0 HE ARG A 134 -0.693 17.957 -1.096 1.00 2.30 H new ATOM 0 HH11 ARG A 134 -2.268 20.434 -2.999 1.00 2.98 H new ATOM 0 HH12 ARG A 134 -0.909 21.558 -2.886 1.00 2.98 H new ATOM 0 HH21 ARG A 134 1.041 19.397 -0.952 1.00 3.71 H new ATOM 0 HH22 ARG A 134 0.947 20.976 -1.738 1.00 3.71 H new ATOM 2048 N THR A 135 -4.170 14.780 1.797 1.00 0.41 N ATOM 2049 CA THR A 135 -4.198 14.419 3.254 1.00 0.41 C ATOM 2050 C THR A 135 -4.167 12.902 3.447 1.00 0.39 C ATOM 2051 O THR A 135 -3.652 12.404 4.429 1.00 0.52 O ATOM 2052 CB THR A 135 -5.454 14.969 3.927 1.00 0.42 C ATOM 2053 OG1 THR A 135 -6.585 14.338 3.360 1.00 0.89 O ATOM 2054 CG2 THR A 135 -5.536 16.500 3.753 1.00 0.88 C ATOM 0 H THR A 135 -5.015 15.226 1.440 1.00 0.41 H new ATOM 0 HA THR A 135 -3.312 14.861 3.710 1.00 0.41 H new ATOM 0 HB THR A 135 -5.419 14.761 4.996 1.00 0.42 H new ATOM 0 HG1 THR A 135 -6.366 14.024 2.458 1.00 0.89 H new ATOM 0 HG21 THR A 135 -6.437 16.874 4.239 1.00 0.88 H new ATOM 0 HG22 THR A 135 -4.660 16.965 4.206 1.00 0.88 H new ATOM 0 HG23 THR A 135 -5.568 16.744 2.691 1.00 0.88 H new ATOM 2062 N ILE A 136 -4.687 12.161 2.507 1.00 0.35 N ATOM 2063 CA ILE A 136 -4.656 10.680 2.628 1.00 0.36 C ATOM 2064 C ILE A 136 -3.232 10.222 2.320 1.00 0.35 C ATOM 2065 O ILE A 136 -2.500 9.845 3.212 1.00 0.51 O ATOM 2066 CB ILE A 136 -5.658 10.072 1.635 1.00 0.46 C ATOM 2067 CG1 ILE A 136 -7.088 10.406 2.096 1.00 0.60 C ATOM 2068 CG2 ILE A 136 -5.477 8.553 1.585 1.00 0.94 C ATOM 2069 CD1 ILE A 136 -8.064 10.274 0.923 1.00 0.64 C ATOM 0 H ILE A 136 -5.131 12.519 1.662 1.00 0.35 H new ATOM 0 HA ILE A 136 -4.936 10.356 3.630 1.00 0.36 H new ATOM 0 HB ILE A 136 -5.485 10.485 0.641 1.00 0.46 H new ATOM 0 HG12 ILE A 136 -7.384 9.735 2.903 1.00 0.60 H new ATOM 0 HG13 ILE A 136 -7.122 11.420 2.495 1.00 0.60 H new ATOM 0 HG21 ILE A 136 -6.189 8.125 0.880 1.00 0.94 H new ATOM 0 HG22 ILE A 136 -4.462 8.318 1.264 1.00 0.94 H new ATOM 0 HG23 ILE A 136 -5.650 8.133 2.576 1.00 0.94 H new ATOM 0 HD11 ILE A 136 -9.073 10.513 1.260 1.00 0.64 H new ATOM 0 HD12 ILE A 136 -7.774 10.963 0.129 1.00 0.64 H new ATOM 0 HD13 ILE A 136 -8.040 9.253 0.543 1.00 0.64 H new ATOM 2081 N MET A 137 -2.833 10.250 1.069 1.00 0.35 N ATOM 2082 CA MET A 137 -1.444 9.820 0.694 1.00 0.33 C ATOM 2083 C MET A 137 -0.436 10.235 1.777 1.00 0.31 C ATOM 2084 O MET A 137 0.529 9.552 2.058 1.00 0.34 O ATOM 2085 CB MET A 137 -1.064 10.479 -0.636 1.00 0.36 C ATOM 2086 CG MET A 137 -1.836 9.801 -1.770 1.00 0.67 C ATOM 2087 SD MET A 137 -1.755 10.822 -3.261 1.00 1.13 S ATOM 2088 CE MET A 137 0.034 10.728 -3.504 1.00 0.67 C ATOM 0 H MET A 137 -3.413 10.554 0.287 1.00 0.35 H new ATOM 0 HA MET A 137 -1.421 8.734 0.599 1.00 0.33 H new ATOM 0 HB2 MET A 137 -1.296 11.544 -0.608 1.00 0.36 H new ATOM 0 HB3 MET A 137 0.009 10.391 -0.806 1.00 0.36 H new ATOM 0 HG2 MET A 137 -1.416 8.815 -1.970 1.00 0.67 H new ATOM 0 HG3 MET A 137 -2.875 9.651 -1.476 1.00 0.67 H new ATOM 0 HE1 MET A 137 0.274 10.978 -4.537 1.00 0.67 H new ATOM 0 HE2 MET A 137 0.529 11.432 -2.836 1.00 0.67 H new ATOM 0 HE3 MET A 137 0.378 9.717 -3.286 1.00 0.67 H new ATOM 2098 N GLY A 138 -0.696 11.361 2.385 1.00 0.31 N ATOM 2099 CA GLY A 138 0.173 11.898 3.474 1.00 0.33 C ATOM 2100 C GLY A 138 0.183 10.919 4.649 1.00 0.33 C ATOM 2101 O GLY A 138 1.224 10.553 5.160 1.00 0.34 O ATOM 0 H GLY A 138 -1.500 11.949 2.165 1.00 0.31 H new ATOM 0 HA2 GLY A 138 1.187 12.048 3.104 1.00 0.33 H new ATOM 0 HA3 GLY A 138 -0.195 12.871 3.801 1.00 0.33 H new ATOM 2105 N TRP A 139 -0.969 10.492 5.073 1.00 0.34 N ATOM 2106 CA TRP A 139 -1.027 9.528 6.210 1.00 0.37 C ATOM 2107 C TRP A 139 -0.472 8.170 5.768 1.00 0.35 C ATOM 2108 O TRP A 139 -0.132 7.333 6.581 1.00 0.39 O ATOM 2109 CB TRP A 139 -2.462 9.355 6.710 1.00 0.43 C ATOM 2110 CG TRP A 139 -3.079 10.689 6.991 1.00 0.46 C ATOM 2111 CD1 TRP A 139 -2.439 11.760 7.522 1.00 0.54 C ATOM 2112 CD2 TRP A 139 -4.455 11.104 6.772 1.00 0.53 C ATOM 2113 NE1 TRP A 139 -3.339 12.804 7.637 1.00 0.57 N ATOM 2114 CE2 TRP A 139 -4.595 12.448 7.188 1.00 0.56 C ATOM 2115 CE3 TRP A 139 -5.586 10.447 6.255 1.00 0.67 C ATOM 2116 CZ2 TRP A 139 -5.815 13.117 7.095 1.00 0.66 C ATOM 2117 CZ3 TRP A 139 -6.815 11.118 6.160 1.00 0.81 C ATOM 2118 CH2 TRP A 139 -6.929 12.450 6.579 1.00 0.78 C ATOM 0 H TRP A 139 -1.872 10.765 4.686 1.00 0.34 H new ATOM 0 HA TRP A 139 -0.422 9.926 7.025 1.00 0.37 H new ATOM 0 HB2 TRP A 139 -3.053 8.824 5.964 1.00 0.43 H new ATOM 0 HB3 TRP A 139 -2.468 8.746 7.614 1.00 0.43 H new ATOM 0 HD1 TRP A 139 -1.398 11.793 7.808 1.00 0.54 H new ATOM 0 HE1 TRP A 139 -3.103 13.724 8.008 1.00 0.57 H new ATOM 0 HE3 TRP A 139 -5.508 9.420 5.929 1.00 0.67 H new ATOM 0 HZ2 TRP A 139 -5.898 14.144 7.420 1.00 0.66 H new ATOM 0 HZ3 TRP A 139 -7.678 10.605 5.762 1.00 0.81 H new ATOM 0 HH2 TRP A 139 -7.877 12.961 6.503 1.00 0.78 H new ATOM 2129 N THR A 140 -0.374 7.951 4.483 1.00 0.34 N ATOM 2130 CA THR A 140 0.163 6.654 3.977 1.00 0.36 C ATOM 2131 C THR A 140 1.683 6.623 4.167 1.00 0.34 C ATOM 2132 O THR A 140 2.225 5.718 4.771 1.00 0.39 O ATOM 2133 CB THR A 140 -0.172 6.513 2.489 1.00 0.38 C ATOM 2134 OG1 THR A 140 -1.537 6.849 2.279 1.00 1.20 O ATOM 2135 CG2 THR A 140 0.074 5.072 2.040 1.00 1.17 C ATOM 0 H THR A 140 -0.644 8.618 3.760 1.00 0.34 H new ATOM 0 HA THR A 140 -0.287 5.830 4.530 1.00 0.36 H new ATOM 0 HB THR A 140 0.463 7.184 1.910 1.00 0.38 H new ATOM 0 HG1 THR A 140 -1.796 6.610 1.364 1.00 1.20 H new ATOM 0 HG21 THR A 140 -0.165 4.975 0.981 1.00 1.17 H new ATOM 0 HG22 THR A 140 1.121 4.815 2.201 1.00 1.17 H new ATOM 0 HG23 THR A 140 -0.558 4.398 2.618 1.00 1.17 H new ATOM 2143 N LEU A 141 2.375 7.609 3.661 1.00 0.33 N ATOM 2144 CA LEU A 141 3.860 7.642 3.817 1.00 0.34 C ATOM 2145 C LEU A 141 4.222 7.843 5.291 1.00 0.33 C ATOM 2146 O LEU A 141 5.262 7.407 5.744 1.00 0.33 O ATOM 2147 CB LEU A 141 4.455 8.773 2.971 1.00 0.35 C ATOM 2148 CG LEU A 141 4.180 8.517 1.475 1.00 0.41 C ATOM 2149 CD1 LEU A 141 4.193 9.845 0.711 1.00 0.99 C ATOM 2150 CD2 LEU A 141 5.262 7.597 0.894 1.00 0.80 C ATOM 0 H LEU A 141 1.976 8.394 3.146 1.00 0.33 H new ATOM 0 HA LEU A 141 4.274 6.694 3.474 1.00 0.34 H new ATOM 0 HB2 LEU A 141 4.022 9.728 3.270 1.00 0.35 H new ATOM 0 HB3 LEU A 141 5.529 8.841 3.145 1.00 0.35 H new ATOM 0 HG LEU A 141 3.204 8.043 1.374 1.00 0.41 H new ATOM 0 HD11 LEU A 141 3.998 9.659 -0.345 1.00 0.99 H new ATOM 0 HD12 LEU A 141 3.422 10.503 1.112 1.00 0.99 H new ATOM 0 HD13 LEU A 141 5.168 10.319 0.822 1.00 0.99 H new ATOM 0 HD21 LEU A 141 5.061 7.421 -0.163 1.00 0.80 H new ATOM 0 HD22 LEU A 141 6.238 8.069 1.004 1.00 0.80 H new ATOM 0 HD23 LEU A 141 5.256 6.647 1.428 1.00 0.80 H new ATOM 2162 N ASP A 142 3.373 8.479 6.048 1.00 0.36 N ATOM 2163 CA ASP A 142 3.676 8.677 7.493 1.00 0.37 C ATOM 2164 C ASP A 142 3.795 7.305 8.157 1.00 0.37 C ATOM 2165 O ASP A 142 4.720 7.036 8.899 1.00 0.42 O ATOM 2166 CB ASP A 142 2.539 9.466 8.144 1.00 0.37 C ATOM 2167 CG ASP A 142 2.510 10.882 7.565 1.00 0.78 C ATOM 2168 OD1 ASP A 142 3.566 11.374 7.202 1.00 1.32 O ATOM 2169 OD2 ASP A 142 1.433 11.450 7.492 1.00 1.59 O ATOM 0 H ASP A 142 2.486 8.869 5.731 1.00 0.36 H new ATOM 0 HA ASP A 142 4.608 9.229 7.611 1.00 0.37 H new ATOM 0 HB2 ASP A 142 1.586 8.968 7.965 1.00 0.37 H new ATOM 0 HB3 ASP A 142 2.680 9.505 9.224 1.00 0.37 H new ATOM 2174 N PHE A 143 2.867 6.432 7.880 1.00 0.41 N ATOM 2175 CA PHE A 143 2.912 5.066 8.470 1.00 0.43 C ATOM 2176 C PHE A 143 4.048 4.270 7.827 1.00 0.43 C ATOM 2177 O PHE A 143 4.668 3.446 8.469 1.00 0.45 O ATOM 2178 CB PHE A 143 1.580 4.355 8.213 1.00 0.44 C ATOM 2179 CG PHE A 143 1.552 3.043 8.961 1.00 0.47 C ATOM 2180 CD1 PHE A 143 2.110 1.895 8.384 1.00 1.29 C ATOM 2181 CD2 PHE A 143 0.966 2.974 10.230 1.00 1.16 C ATOM 2182 CE1 PHE A 143 2.081 0.679 9.077 1.00 1.35 C ATOM 2183 CE2 PHE A 143 0.937 1.758 10.923 1.00 1.22 C ATOM 2184 CZ PHE A 143 1.495 0.610 10.347 1.00 0.72 C ATOM 0 H PHE A 143 2.073 6.609 7.265 1.00 0.41 H new ATOM 0 HA PHE A 143 3.083 5.139 9.544 1.00 0.43 H new ATOM 0 HB2 PHE A 143 0.752 4.986 8.535 1.00 0.44 H new ATOM 0 HB3 PHE A 143 1.451 4.179 7.145 1.00 0.44 H new ATOM 0 HD1 PHE A 143 2.562 1.948 7.405 1.00 1.29 H new ATOM 0 HD2 PHE A 143 0.536 3.859 10.675 1.00 1.16 H new ATOM 0 HE1 PHE A 143 2.511 -0.206 8.632 1.00 1.35 H new ATOM 0 HE2 PHE A 143 0.484 1.705 11.902 1.00 1.22 H new ATOM 0 HZ PHE A 143 1.473 -0.328 10.882 1.00 0.72 H new ATOM 2194 N LEU A 144 4.339 4.494 6.575 1.00 0.45 N ATOM 2195 CA LEU A 144 5.447 3.725 5.943 1.00 0.47 C ATOM 2196 C LEU A 144 6.769 4.205 6.557 1.00 0.47 C ATOM 2197 O LEU A 144 7.577 3.411 6.999 1.00 0.49 O ATOM 2198 CB LEU A 144 5.411 3.943 4.421 1.00 0.49 C ATOM 2199 CG LEU A 144 6.006 2.754 3.665 1.00 0.64 C ATOM 2200 CD1 LEU A 144 5.740 2.946 2.167 1.00 1.31 C ATOM 2201 CD2 LEU A 144 7.519 2.677 3.909 1.00 1.01 C ATOM 0 H LEU A 144 3.866 5.165 5.970 1.00 0.45 H new ATOM 0 HA LEU A 144 5.343 2.655 6.125 1.00 0.47 H new ATOM 0 HB2 LEU A 144 4.381 4.100 4.100 1.00 0.49 H new ATOM 0 HB3 LEU A 144 5.964 4.848 4.170 1.00 0.49 H new ATOM 0 HG LEU A 144 5.547 1.830 4.016 1.00 0.64 H new ATOM 0 HD11 LEU A 144 6.158 2.106 1.613 1.00 1.31 H new ATOM 0 HD12 LEU A 144 4.665 2.997 1.992 1.00 1.31 H new ATOM 0 HD13 LEU A 144 6.207 3.872 1.830 1.00 1.31 H new ATOM 0 HD21 LEU A 144 7.932 1.827 3.366 1.00 1.01 H new ATOM 0 HD22 LEU A 144 7.991 3.595 3.559 1.00 1.01 H new ATOM 0 HD23 LEU A 144 7.710 2.554 4.975 1.00 1.01 H new ATOM 2213 N ARG A 145 6.998 5.480 6.606 1.00 0.47 N ATOM 2214 CA ARG A 145 8.266 5.978 7.212 1.00 0.48 C ATOM 2215 C ARG A 145 8.324 5.637 8.714 1.00 0.49 C ATOM 2216 O ARG A 145 9.385 5.378 9.249 1.00 0.50 O ATOM 2217 CB ARG A 145 8.372 7.497 7.023 1.00 0.49 C ATOM 2218 CG ARG A 145 9.842 7.922 7.166 1.00 0.69 C ATOM 2219 CD ARG A 145 9.960 9.455 7.245 1.00 0.68 C ATOM 2220 NE ARG A 145 11.223 9.908 6.573 1.00 1.56 N ATOM 2221 CZ ARG A 145 12.372 9.318 6.800 1.00 2.10 C ATOM 2222 NH1 ARG A 145 12.483 8.402 7.721 1.00 2.12 N ATOM 2223 NH2 ARG A 145 13.430 9.688 6.132 1.00 3.16 N ATOM 0 H ARG A 145 6.368 6.202 6.255 1.00 0.47 H new ATOM 0 HA ARG A 145 9.102 5.489 6.712 1.00 0.48 H new ATOM 0 HB2 ARG A 145 7.993 7.781 6.041 1.00 0.49 H new ATOM 0 HB3 ARG A 145 7.759 8.011 7.763 1.00 0.49 H new ATOM 0 HG2 ARG A 145 10.270 7.473 8.062 1.00 0.69 H new ATOM 0 HG3 ARG A 145 10.417 7.551 6.318 1.00 0.69 H new ATOM 0 HD2 ARG A 145 9.097 9.919 6.767 1.00 0.68 H new ATOM 0 HD3 ARG A 145 9.958 9.775 8.287 1.00 0.68 H new ATOM 0 HE ARG A 145 11.187 10.694 5.924 1.00 1.56 H new ATOM 0 HH11 ARG A 145 11.670 8.136 8.276 1.00 2.12 H new ATOM 0 HH12 ARG A 145 13.383 7.952 7.886 1.00 2.12 H new ATOM 0 HH21 ARG A 145 13.360 10.432 5.438 1.00 3.16 H new ATOM 0 HH22 ARG A 145 14.327 9.233 6.304 1.00 3.16 H new ATOM 2237 N GLU A 146 7.221 5.683 9.417 1.00 0.49 N ATOM 2238 CA GLU A 146 7.276 5.411 10.895 1.00 0.51 C ATOM 2239 C GLU A 146 7.318 3.909 11.226 1.00 0.53 C ATOM 2240 O GLU A 146 8.215 3.498 11.935 1.00 0.55 O ATOM 2241 CB GLU A 146 6.083 6.050 11.612 1.00 0.52 C ATOM 2242 CG GLU A 146 6.162 7.573 11.530 1.00 0.96 C ATOM 2243 CD GLU A 146 4.818 8.167 11.962 1.00 1.48 C ATOM 2244 OE1 GLU A 146 4.141 7.532 12.756 1.00 2.03 O ATOM 2245 OE2 GLU A 146 4.486 9.241 11.490 1.00 2.22 O ATOM 0 H GLU A 146 6.295 5.893 9.043 1.00 0.49 H new ATOM 0 HA GLU A 146 8.206 5.857 11.248 1.00 0.51 H new ATOM 0 HB2 GLU A 146 5.153 5.704 11.162 1.00 0.52 H new ATOM 0 HB3 GLU A 146 6.068 5.737 12.656 1.00 0.52 H new ATOM 0 HG2 GLU A 146 6.961 7.943 12.172 1.00 0.96 H new ATOM 0 HG3 GLU A 146 6.401 7.883 10.513 1.00 0.96 H new ATOM 2252 N ARG A 147 6.373 3.088 10.819 1.00 0.59 N ATOM 2253 CA ARG A 147 6.438 1.640 11.261 1.00 0.62 C ATOM 2254 C ARG A 147 6.977 0.705 10.176 1.00 0.58 C ATOM 2255 O ARG A 147 7.799 -0.152 10.437 1.00 0.62 O ATOM 2256 CB ARG A 147 5.039 1.192 11.672 1.00 0.63 C ATOM 2257 CG ARG A 147 4.508 2.172 12.729 1.00 0.73 C ATOM 2258 CD ARG A 147 3.261 1.599 13.428 1.00 1.11 C ATOM 2259 NE ARG A 147 2.247 2.685 13.619 1.00 1.75 N ATOM 2260 CZ ARG A 147 2.584 3.859 14.094 1.00 2.40 C ATOM 2261 NH1 ARG A 147 3.792 4.079 14.537 1.00 2.71 N ATOM 2262 NH2 ARG A 147 1.691 4.806 14.165 1.00 3.30 N ATOM 0 H ARG A 147 5.585 3.338 10.222 1.00 0.59 H new ATOM 0 HA ARG A 147 7.134 1.582 12.098 1.00 0.62 H new ATOM 0 HB2 ARG A 147 4.377 1.173 10.806 1.00 0.63 H new ATOM 0 HB3 ARG A 147 5.068 0.179 12.074 1.00 0.63 H new ATOM 0 HG2 ARG A 147 5.284 2.373 13.467 1.00 0.73 H new ATOM 0 HG3 ARG A 147 4.262 3.124 12.258 1.00 0.73 H new ATOM 0 HD2 ARG A 147 2.836 0.792 12.831 1.00 1.11 H new ATOM 0 HD3 ARG A 147 3.537 1.171 14.392 1.00 1.11 H new ATOM 0 HE ARG A 147 1.273 2.507 13.374 1.00 1.75 H new ATOM 0 HH11 ARG A 147 4.487 3.332 14.516 1.00 2.71 H new ATOM 0 HH12 ARG A 147 4.041 4.997 14.904 1.00 2.71 H new ATOM 0 HH21 ARG A 147 0.736 4.631 13.852 1.00 3.30 H new ATOM 0 HH22 ARG A 147 1.947 5.722 14.534 1.00 3.30 H new ATOM 2276 N LEU A 148 6.486 0.830 8.974 1.00 0.53 N ATOM 2277 CA LEU A 148 6.913 -0.075 7.866 1.00 0.57 C ATOM 2278 C LEU A 148 8.278 0.327 7.296 1.00 0.67 C ATOM 2279 O LEU A 148 8.523 0.148 6.121 1.00 1.61 O ATOM 2280 CB LEU A 148 5.834 0.018 6.751 1.00 0.59 C ATOM 2281 CG LEU A 148 5.422 -1.384 6.265 1.00 0.70 C ATOM 2282 CD1 LEU A 148 4.502 -2.063 7.301 1.00 1.29 C ATOM 2283 CD2 LEU A 148 4.684 -1.257 4.924 1.00 1.34 C ATOM 0 H LEU A 148 5.796 1.532 8.707 1.00 0.53 H new ATOM 0 HA LEU A 148 7.011 -1.092 8.246 1.00 0.57 H new ATOM 0 HB2 LEU A 148 4.960 0.547 7.129 1.00 0.59 H new ATOM 0 HB3 LEU A 148 6.220 0.598 5.913 1.00 0.59 H new ATOM 0 HG LEU A 148 6.316 -1.995 6.139 1.00 0.70 H new ATOM 0 HD11 LEU A 148 4.219 -3.053 6.943 1.00 1.29 H new ATOM 0 HD12 LEU A 148 5.030 -2.157 8.250 1.00 1.29 H new ATOM 0 HD13 LEU A 148 3.606 -1.459 7.443 1.00 1.29 H new ATOM 0 HD21 LEU A 148 4.390 -2.247 4.575 1.00 1.34 H new ATOM 0 HD22 LEU A 148 3.795 -0.640 5.055 1.00 1.34 H new ATOM 0 HD23 LEU A 148 5.342 -0.794 4.189 1.00 1.34 H new ATOM 2295 N LEU A 149 9.168 0.860 8.096 1.00 0.67 N ATOM 2296 CA LEU A 149 10.513 1.253 7.561 1.00 0.57 C ATOM 2297 C LEU A 149 11.577 0.282 8.084 1.00 0.56 C ATOM 2298 O LEU A 149 12.352 -0.264 7.325 1.00 0.58 O ATOM 2299 CB LEU A 149 10.845 2.686 7.989 1.00 0.54 C ATOM 2300 CG LEU A 149 12.068 3.198 7.203 1.00 0.59 C ATOM 2301 CD1 LEU A 149 11.676 3.606 5.773 1.00 0.83 C ATOM 2302 CD2 LEU A 149 12.649 4.418 7.920 1.00 1.21 C ATOM 0 H LEU A 149 9.025 1.040 9.090 1.00 0.67 H new ATOM 0 HA LEU A 149 10.497 1.209 6.472 1.00 0.57 H new ATOM 0 HB2 LEU A 149 9.989 3.336 7.810 1.00 0.54 H new ATOM 0 HB3 LEU A 149 11.050 2.717 9.059 1.00 0.54 H new ATOM 0 HG LEU A 149 12.803 2.395 7.149 1.00 0.59 H new ATOM 0 HD11 LEU A 149 12.558 3.963 5.242 1.00 0.83 H new ATOM 0 HD12 LEU A 149 11.261 2.745 5.250 1.00 0.83 H new ATOM 0 HD13 LEU A 149 10.930 4.400 5.813 1.00 0.83 H new ATOM 0 HD21 LEU A 149 13.515 4.786 7.369 1.00 1.21 H new ATOM 0 HD22 LEU A 149 11.894 5.202 7.974 1.00 1.21 H new ATOM 0 HD23 LEU A 149 12.953 4.137 8.928 1.00 1.21 H new ATOM 2314 N GLY A 150 11.626 0.060 9.369 1.00 0.56 N ATOM 2315 CA GLY A 150 12.647 -0.877 9.922 1.00 0.58 C ATOM 2316 C GLY A 150 12.390 -2.298 9.404 1.00 0.62 C ATOM 2317 O GLY A 150 13.307 -3.063 9.185 1.00 0.70 O ATOM 0 H GLY A 150 11.006 0.485 10.059 1.00 0.56 H new ATOM 0 HA2 GLY A 150 13.646 -0.551 9.633 1.00 0.58 H new ATOM 0 HA3 GLY A 150 12.611 -0.866 11.011 1.00 0.58 H new ATOM 2321 N TRP A 151 11.147 -2.664 9.239 1.00 0.63 N ATOM 2322 CA TRP A 151 10.825 -4.046 8.772 1.00 0.69 C ATOM 2323 C TRP A 151 11.206 -4.221 7.299 1.00 0.70 C ATOM 2324 O TRP A 151 11.592 -5.294 6.878 1.00 0.72 O ATOM 2325 CB TRP A 151 9.317 -4.300 8.944 1.00 0.73 C ATOM 2326 CG TRP A 151 9.016 -4.689 10.360 1.00 1.25 C ATOM 2327 CD1 TRP A 151 8.707 -5.941 10.769 1.00 2.17 C ATOM 2328 CD2 TRP A 151 8.986 -3.850 11.552 1.00 1.86 C ATOM 2329 NE1 TRP A 151 8.491 -5.925 12.134 1.00 2.65 N ATOM 2330 CE2 TRP A 151 8.651 -4.660 12.663 1.00 2.43 C ATOM 2331 CE3 TRP A 151 9.215 -2.481 11.776 1.00 2.68 C ATOM 2332 CZ2 TRP A 151 8.547 -4.131 13.949 1.00 3.17 C ATOM 2333 CZ3 TRP A 151 9.111 -1.944 13.070 1.00 3.62 C ATOM 2334 CH2 TRP A 151 8.778 -2.768 14.154 1.00 3.67 C ATOM 0 H TRP A 151 10.339 -2.065 9.407 1.00 0.63 H new ATOM 0 HA TRP A 151 11.395 -4.760 9.366 1.00 0.69 H new ATOM 0 HB2 TRP A 151 8.757 -3.403 8.679 1.00 0.73 H new ATOM 0 HB3 TRP A 151 8.994 -5.090 8.266 1.00 0.73 H new ATOM 0 HD1 TRP A 151 8.640 -6.811 10.133 1.00 2.17 H new ATOM 0 HE1 TRP A 151 8.243 -6.748 12.684 1.00 2.65 H new ATOM 0 HE3 TRP A 151 9.473 -1.838 10.948 1.00 2.68 H new ATOM 0 HZ2 TRP A 151 8.290 -4.770 14.781 1.00 3.17 H new ATOM 0 HZ3 TRP A 151 9.289 -0.891 13.230 1.00 3.62 H new ATOM 0 HH2 TRP A 151 8.700 -2.350 15.147 1.00 3.67 H new ATOM 2345 N ILE A 152 11.096 -3.193 6.505 1.00 0.73 N ATOM 2346 CA ILE A 152 11.451 -3.346 5.065 1.00 0.76 C ATOM 2347 C ILE A 152 12.972 -3.342 4.924 1.00 0.79 C ATOM 2348 O ILE A 152 13.532 -3.985 4.059 1.00 0.89 O ATOM 2349 CB ILE A 152 10.847 -2.198 4.254 1.00 0.78 C ATOM 2350 CG1 ILE A 152 9.338 -2.153 4.504 1.00 0.83 C ATOM 2351 CG2 ILE A 152 11.110 -2.429 2.763 1.00 0.92 C ATOM 2352 CD1 ILE A 152 8.723 -0.986 3.729 1.00 0.94 C ATOM 0 H ILE A 152 10.780 -2.264 6.785 1.00 0.73 H new ATOM 0 HA ILE A 152 11.052 -4.287 4.687 1.00 0.76 H new ATOM 0 HB ILE A 152 11.301 -1.255 4.557 1.00 0.78 H new ATOM 0 HG12 ILE A 152 8.880 -3.091 4.192 1.00 0.83 H new ATOM 0 HG13 ILE A 152 9.139 -2.040 5.570 1.00 0.83 H new ATOM 0 HG21 ILE A 152 10.679 -1.610 2.186 1.00 0.92 H new ATOM 0 HG22 ILE A 152 12.185 -2.472 2.585 1.00 0.92 H new ATOM 0 HG23 ILE A 152 10.654 -3.370 2.454 1.00 0.92 H new ATOM 0 HD11 ILE A 152 7.648 -0.956 3.909 1.00 0.94 H new ATOM 0 HD12 ILE A 152 9.173 -0.051 4.062 1.00 0.94 H new ATOM 0 HD13 ILE A 152 8.909 -1.119 2.663 1.00 0.94 H new ATOM 2364 N GLN A 153 13.639 -2.627 5.784 1.00 0.77 N ATOM 2365 CA GLN A 153 15.125 -2.579 5.724 1.00 0.80 C ATOM 2366 C GLN A 153 15.677 -3.985 6.002 1.00 0.81 C ATOM 2367 O GLN A 153 16.563 -4.452 5.316 1.00 0.82 O ATOM 2368 CB GLN A 153 15.648 -1.559 6.764 1.00 0.82 C ATOM 2369 CG GLN A 153 16.825 -0.755 6.197 1.00 1.09 C ATOM 2370 CD GLN A 153 17.278 0.273 7.234 1.00 1.98 C ATOM 2371 OE1 GLN A 153 16.475 1.014 7.767 1.00 2.66 O ATOM 2372 NE2 GLN A 153 18.543 0.349 7.547 1.00 2.77 N ATOM 0 H GLN A 153 13.218 -2.072 6.529 1.00 0.77 H new ATOM 0 HA GLN A 153 15.458 -2.260 4.736 1.00 0.80 H new ATOM 0 HB2 GLN A 153 14.844 -0.881 7.051 1.00 0.82 H new ATOM 0 HB3 GLN A 153 15.961 -2.082 7.667 1.00 0.82 H new ATOM 0 HG2 GLN A 153 17.649 -1.423 5.945 1.00 1.09 H new ATOM 0 HG3 GLN A 153 16.528 -0.253 5.276 1.00 1.09 H new ATOM 0 HE21 GLN A 153 19.217 -0.272 7.100 1.00 2.77 H new ATOM 0 HE22 GLN A 153 18.857 1.030 8.238 1.00 2.77 H new ATOM 2381 N ASP A 154 15.181 -4.658 7.004 1.00 0.83 N ATOM 2382 CA ASP A 154 15.717 -6.018 7.302 1.00 0.86 C ATOM 2383 C ASP A 154 15.469 -6.944 6.104 1.00 0.85 C ATOM 2384 O ASP A 154 16.154 -7.929 5.916 1.00 0.94 O ATOM 2385 CB ASP A 154 15.032 -6.579 8.551 1.00 0.90 C ATOM 2386 CG ASP A 154 15.622 -7.948 8.893 1.00 1.28 C ATOM 2387 OD1 ASP A 154 16.799 -8.144 8.640 1.00 1.84 O ATOM 2388 OD2 ASP A 154 14.887 -8.776 9.405 1.00 1.99 O ATOM 0 H ASP A 154 14.438 -4.332 7.622 1.00 0.83 H new ATOM 0 HA ASP A 154 16.790 -5.953 7.484 1.00 0.86 H new ATOM 0 HB2 ASP A 154 15.166 -5.895 9.389 1.00 0.90 H new ATOM 0 HB3 ASP A 154 13.959 -6.667 8.380 1.00 0.90 H new ATOM 2393 N GLN A 155 14.498 -6.627 5.290 1.00 0.79 N ATOM 2394 CA GLN A 155 14.203 -7.474 4.101 1.00 0.79 C ATOM 2395 C GLN A 155 15.244 -7.202 3.019 1.00 0.72 C ATOM 2396 O GLN A 155 15.813 -8.106 2.439 1.00 1.03 O ATOM 2397 CB GLN A 155 12.813 -7.128 3.564 1.00 0.90 C ATOM 2398 CG GLN A 155 12.417 -8.145 2.492 1.00 1.37 C ATOM 2399 CD GLN A 155 10.971 -7.898 2.060 1.00 2.01 C ATOM 2400 OE1 GLN A 155 10.354 -6.826 2.473 1.00 2.72 O flip ATOM 2401 NE2 GLN A 155 10.396 -8.690 1.339 1.00 2.54 N flip ATOM 0 H GLN A 155 13.894 -5.813 5.399 1.00 0.79 H new ATOM 0 HA GLN A 155 14.234 -8.526 4.384 1.00 0.79 H new ATOM 0 HB2 GLN A 155 12.085 -7.136 4.375 1.00 0.90 H new ATOM 0 HB3 GLN A 155 12.813 -6.122 3.145 1.00 0.90 H new ATOM 0 HG2 GLN A 155 13.083 -8.061 1.633 1.00 1.37 H new ATOM 0 HG3 GLN A 155 12.523 -9.158 2.880 1.00 1.37 H new ATOM 0 HE21 GLN A 155 10.878 -9.529 1.016 1.00 2.54 H new ATOM 0 HE22 GLN A 155 9.431 -8.516 1.057 1.00 2.54 H new ATOM 2410 N GLY A 156 15.493 -5.952 2.746 1.00 0.63 N ATOM 2411 CA GLY A 156 16.493 -5.578 1.706 1.00 0.72 C ATOM 2412 C GLY A 156 15.954 -4.387 0.917 1.00 0.87 C ATOM 2413 O GLY A 156 16.599 -3.364 0.799 1.00 1.38 O ATOM 0 H GLY A 156 15.040 -5.162 3.206 1.00 0.63 H new ATOM 0 HA2 GLY A 156 17.445 -5.324 2.171 1.00 0.72 H new ATOM 0 HA3 GLY A 156 16.679 -6.420 1.040 1.00 0.72 H new ATOM 2417 N GLY A 157 14.779 -4.516 0.367 1.00 0.81 N ATOM 2418 CA GLY A 157 14.199 -3.395 -0.427 1.00 1.10 C ATOM 2419 C GLY A 157 12.969 -3.890 -1.192 1.00 0.84 C ATOM 2420 O GLY A 157 12.474 -4.977 -0.965 1.00 0.88 O ATOM 0 H GLY A 157 14.194 -5.349 0.433 1.00 0.81 H new ATOM 0 HA2 GLY A 157 13.923 -2.573 0.233 1.00 1.10 H new ATOM 0 HA3 GLY A 157 14.942 -3.007 -1.124 1.00 1.10 H new ATOM 2424 N TRP A 158 12.463 -3.080 -2.082 1.00 0.67 N ATOM 2425 CA TRP A 158 11.247 -3.467 -2.857 1.00 0.50 C ATOM 2426 C TRP A 158 11.518 -4.691 -3.736 1.00 0.51 C ATOM 2427 O TRP A 158 10.592 -5.341 -4.189 1.00 0.53 O ATOM 2428 CB TRP A 158 10.809 -2.300 -3.745 1.00 0.51 C ATOM 2429 CG TRP A 158 10.346 -1.164 -2.893 1.00 0.46 C ATOM 2430 CD1 TRP A 158 11.035 -0.019 -2.688 1.00 0.59 C ATOM 2431 CD2 TRP A 158 9.109 -1.039 -2.132 1.00 0.46 C ATOM 2432 NE1 TRP A 158 10.300 0.801 -1.852 1.00 0.55 N ATOM 2433 CE2 TRP A 158 9.106 0.217 -1.481 1.00 0.47 C ATOM 2434 CE3 TRP A 158 7.999 -1.884 -1.945 1.00 0.65 C ATOM 2435 CZ2 TRP A 158 8.043 0.621 -0.674 1.00 0.58 C ATOM 2436 CZ3 TRP A 158 6.927 -1.480 -1.133 1.00 0.84 C ATOM 2437 CH2 TRP A 158 6.949 -0.229 -0.499 1.00 0.78 C ATOM 0 H TRP A 158 12.842 -2.160 -2.308 1.00 0.67 H new ATOM 0 HA TRP A 158 10.458 -3.716 -2.147 1.00 0.50 H new ATOM 0 HB2 TRP A 158 11.638 -1.979 -4.376 1.00 0.51 H new ATOM 0 HB3 TRP A 158 10.007 -2.618 -4.411 1.00 0.51 H new ATOM 0 HD1 TRP A 158 12.001 0.217 -3.109 1.00 0.59 H new ATOM 0 HE1 TRP A 158 10.604 1.726 -1.546 1.00 0.55 H new ATOM 0 HE3 TRP A 158 7.972 -2.849 -2.429 1.00 0.65 H new ATOM 0 HZ2 TRP A 158 8.066 1.585 -0.188 1.00 0.58 H new ATOM 0 HZ3 TRP A 158 6.080 -2.136 -0.996 1.00 0.84 H new ATOM 0 HH2 TRP A 158 6.121 0.076 0.124 1.00 0.78 H new ATOM 2448 N ASP A 159 12.748 -5.030 -4.011 1.00 0.50 N ATOM 2449 CA ASP A 159 12.978 -6.211 -4.883 1.00 0.51 C ATOM 2450 C ASP A 159 12.379 -7.448 -4.216 1.00 0.51 C ATOM 2451 O ASP A 159 11.855 -8.327 -4.870 1.00 0.51 O ATOM 2452 CB ASP A 159 14.480 -6.402 -5.091 1.00 0.54 C ATOM 2453 CG ASP A 159 15.170 -6.515 -3.729 1.00 1.66 C ATOM 2454 OD1 ASP A 159 15.312 -5.495 -3.073 1.00 2.46 O ATOM 2455 OD2 ASP A 159 15.540 -7.618 -3.363 1.00 2.37 O ATOM 0 H ASP A 159 13.585 -4.552 -3.677 1.00 0.50 H new ATOM 0 HA ASP A 159 12.502 -6.058 -5.852 1.00 0.51 H new ATOM 0 HB2 ASP A 159 14.666 -7.300 -5.681 1.00 0.54 H new ATOM 0 HB3 ASP A 159 14.891 -5.562 -5.651 1.00 0.54 H new ATOM 2460 N GLY A 160 12.437 -7.515 -2.913 1.00 0.52 N ATOM 2461 CA GLY A 160 11.853 -8.687 -2.206 1.00 0.54 C ATOM 2462 C GLY A 160 10.353 -8.724 -2.489 1.00 0.53 C ATOM 2463 O GLY A 160 9.748 -9.776 -2.559 1.00 0.54 O ATOM 0 H GLY A 160 12.862 -6.810 -2.311 1.00 0.52 H new ATOM 0 HA2 GLY A 160 12.326 -9.609 -2.546 1.00 0.54 H new ATOM 0 HA3 GLY A 160 12.035 -8.612 -1.134 1.00 0.54 H new ATOM 2467 N LEU A 161 9.751 -7.581 -2.673 1.00 0.54 N ATOM 2468 CA LEU A 161 8.296 -7.545 -2.973 1.00 0.56 C ATOM 2469 C LEU A 161 8.043 -8.422 -4.200 1.00 0.56 C ATOM 2470 O LEU A 161 7.175 -9.272 -4.213 1.00 0.62 O ATOM 2471 CB LEU A 161 7.883 -6.083 -3.263 1.00 0.58 C ATOM 2472 CG LEU A 161 6.428 -5.826 -2.818 1.00 0.74 C ATOM 2473 CD1 LEU A 161 5.497 -6.822 -3.520 1.00 1.63 C ATOM 2474 CD2 LEU A 161 6.294 -5.965 -1.279 1.00 1.56 C ATOM 0 H LEU A 161 10.207 -6.670 -2.628 1.00 0.54 H new ATOM 0 HA LEU A 161 7.712 -7.916 -2.131 1.00 0.56 H new ATOM 0 HB2 LEU A 161 8.554 -5.401 -2.741 1.00 0.58 H new ATOM 0 HB3 LEU A 161 7.984 -5.876 -4.328 1.00 0.58 H new ATOM 0 HG LEU A 161 6.148 -4.809 -3.094 1.00 0.74 H new ATOM 0 HD11 LEU A 161 4.469 -6.642 -3.207 1.00 1.63 H new ATOM 0 HD12 LEU A 161 5.575 -6.694 -4.600 1.00 1.63 H new ATOM 0 HD13 LEU A 161 5.785 -7.839 -3.253 1.00 1.63 H new ATOM 0 HD21 LEU A 161 5.261 -5.780 -0.986 1.00 1.56 H new ATOM 0 HD22 LEU A 161 6.582 -6.972 -0.978 1.00 1.56 H new ATOM 0 HD23 LEU A 161 6.945 -5.240 -0.790 1.00 1.56 H new ATOM 2486 N LEU A 162 8.807 -8.203 -5.236 1.00 0.53 N ATOM 2487 CA LEU A 162 8.627 -9.008 -6.480 1.00 0.56 C ATOM 2488 C LEU A 162 9.156 -10.432 -6.243 1.00 0.55 C ATOM 2489 O LEU A 162 8.701 -11.375 -6.858 1.00 0.57 O ATOM 2490 CB LEU A 162 9.394 -8.343 -7.658 1.00 0.61 C ATOM 2491 CG LEU A 162 8.433 -7.629 -8.626 1.00 0.80 C ATOM 2492 CD1 LEU A 162 9.241 -6.701 -9.539 1.00 1.56 C ATOM 2493 CD2 LEU A 162 7.701 -8.656 -9.502 1.00 1.33 C ATOM 0 H LEU A 162 9.547 -7.502 -5.276 1.00 0.53 H new ATOM 0 HA LEU A 162 7.568 -9.053 -6.734 1.00 0.56 H new ATOM 0 HB2 LEU A 162 10.115 -7.626 -7.265 1.00 0.61 H new ATOM 0 HB3 LEU A 162 9.960 -9.101 -8.199 1.00 0.61 H new ATOM 0 HG LEU A 162 7.705 -7.061 -8.046 1.00 0.80 H new ATOM 0 HD11 LEU A 162 8.567 -6.191 -10.228 1.00 1.56 H new ATOM 0 HD12 LEU A 162 9.767 -5.963 -8.934 1.00 1.56 H new ATOM 0 HD13 LEU A 162 9.964 -7.288 -10.106 1.00 1.56 H new ATOM 0 HD21 LEU A 162 7.025 -8.138 -10.182 1.00 1.33 H new ATOM 0 HD22 LEU A 162 8.429 -9.227 -10.079 1.00 1.33 H new ATOM 0 HD23 LEU A 162 7.129 -9.333 -8.868 1.00 1.33 H new ATOM 2505 N SER A 163 10.129 -10.597 -5.392 1.00 0.54 N ATOM 2506 CA SER A 163 10.685 -11.963 -5.179 1.00 0.56 C ATOM 2507 C SER A 163 9.603 -12.903 -4.634 1.00 0.53 C ATOM 2508 O SER A 163 9.624 -14.097 -4.859 1.00 0.60 O ATOM 2509 CB SER A 163 11.831 -11.886 -4.174 1.00 0.63 C ATOM 2510 OG SER A 163 12.523 -13.127 -4.159 1.00 1.32 O ATOM 0 H SER A 163 10.560 -9.855 -4.840 1.00 0.54 H new ATOM 0 HA SER A 163 11.044 -12.351 -6.132 1.00 0.56 H new ATOM 0 HB2 SER A 163 12.513 -11.079 -4.443 1.00 0.63 H new ATOM 0 HB3 SER A 163 11.445 -11.659 -3.180 1.00 0.63 H new ATOM 0 HG SER A 163 13.261 -13.082 -3.516 1.00 1.32 H new ATOM 2516 N TYR A 164 8.666 -12.361 -3.898 1.00 0.59 N ATOM 2517 CA TYR A 164 7.583 -13.201 -3.306 1.00 0.64 C ATOM 2518 C TYR A 164 6.488 -13.438 -4.344 1.00 0.63 C ATOM 2519 O TYR A 164 5.917 -14.507 -4.422 1.00 0.68 O ATOM 2520 CB TYR A 164 6.987 -12.477 -2.087 1.00 0.69 C ATOM 2521 CG TYR A 164 5.745 -13.205 -1.609 1.00 0.72 C ATOM 2522 CD1 TYR A 164 5.854 -14.491 -1.065 1.00 1.50 C ATOM 2523 CD2 TYR A 164 4.487 -12.594 -1.714 1.00 1.34 C ATOM 2524 CE1 TYR A 164 4.707 -15.165 -0.627 1.00 1.57 C ATOM 2525 CE2 TYR A 164 3.342 -13.269 -1.276 1.00 1.35 C ATOM 2526 CZ TYR A 164 3.451 -14.555 -0.733 1.00 0.87 C ATOM 2527 OH TYR A 164 2.321 -15.220 -0.302 1.00 0.97 O ATOM 0 H TYR A 164 8.605 -11.366 -3.681 1.00 0.59 H new ATOM 0 HA TYR A 164 7.997 -14.160 -2.996 1.00 0.64 H new ATOM 0 HB2 TYR A 164 7.723 -12.431 -1.285 1.00 0.69 H new ATOM 0 HB3 TYR A 164 6.738 -11.449 -2.350 1.00 0.69 H new ATOM 0 HD1 TYR A 164 6.822 -14.963 -0.983 1.00 1.50 H new ATOM 0 HD2 TYR A 164 4.402 -11.602 -2.133 1.00 1.34 H new ATOM 0 HE1 TYR A 164 4.791 -16.156 -0.207 1.00 1.57 H new ATOM 0 HE2 TYR A 164 2.374 -12.798 -1.357 1.00 1.35 H new ATOM 0 HH TYR A 164 1.534 -14.655 -0.446 1.00 0.97 H new ATOM 2537 N PHE A 165 6.179 -12.449 -5.134 1.00 0.64 N ATOM 2538 CA PHE A 165 5.108 -12.627 -6.150 1.00 0.72 C ATOM 2539 C PHE A 165 5.643 -13.455 -7.329 1.00 0.82 C ATOM 2540 O PHE A 165 5.492 -13.090 -8.478 1.00 1.56 O ATOM 2541 CB PHE A 165 4.625 -11.244 -6.632 1.00 0.74 C ATOM 2542 CG PHE A 165 3.526 -10.734 -5.718 1.00 0.84 C ATOM 2543 CD1 PHE A 165 2.274 -11.362 -5.719 1.00 1.65 C ATOM 2544 CD2 PHE A 165 3.759 -9.640 -4.874 1.00 1.42 C ATOM 2545 CE1 PHE A 165 1.256 -10.897 -4.878 1.00 1.96 C ATOM 2546 CE2 PHE A 165 2.739 -9.176 -4.034 1.00 1.71 C ATOM 2547 CZ PHE A 165 1.488 -9.804 -4.036 1.00 1.66 C ATOM 0 H PHE A 165 6.620 -11.529 -5.120 1.00 0.64 H new ATOM 0 HA PHE A 165 4.266 -13.160 -5.708 1.00 0.72 H new ATOM 0 HB2 PHE A 165 5.458 -10.541 -6.641 1.00 0.74 H new ATOM 0 HB3 PHE A 165 4.256 -11.314 -7.655 1.00 0.74 H new ATOM 0 HD1 PHE A 165 2.094 -12.205 -6.369 1.00 1.65 H new ATOM 0 HD2 PHE A 165 4.724 -9.155 -4.871 1.00 1.42 H new ATOM 0 HE1 PHE A 165 0.291 -11.382 -4.879 1.00 1.96 H new ATOM 0 HE2 PHE A 165 2.918 -8.332 -3.384 1.00 1.71 H new ATOM 0 HZ PHE A 165 0.702 -9.445 -3.388 1.00 1.66 H new ATOM 2557 N GLY A 166 6.263 -14.573 -7.054 1.00 0.94 N ATOM 2558 CA GLY A 166 6.794 -15.420 -8.162 1.00 1.01 C ATOM 2559 C GLY A 166 5.614 -16.084 -8.864 1.00 1.23 C ATOM 2560 O GLY A 166 5.069 -15.562 -9.816 1.00 1.85 O ATOM 0 H GLY A 166 6.424 -14.935 -6.114 1.00 0.94 H new ATOM 0 HA2 GLY A 166 7.362 -14.812 -8.866 1.00 1.01 H new ATOM 0 HA3 GLY A 166 7.476 -16.174 -7.770 1.00 1.01 H new ATOM 2564 N THR A 167 5.190 -17.216 -8.374 1.00 1.51 N ATOM 2565 CA THR A 167 4.017 -17.907 -8.970 1.00 2.01 C ATOM 2566 C THR A 167 3.175 -18.578 -7.866 1.00 1.65 C ATOM 2567 O THR A 167 2.727 -19.693 -8.052 1.00 2.06 O ATOM 2568 CB THR A 167 4.511 -18.973 -9.949 1.00 3.10 C ATOM 2569 OG1 THR A 167 5.349 -19.892 -9.261 1.00 3.65 O ATOM 2570 CG2 THR A 167 5.301 -18.304 -11.074 1.00 3.92 C ATOM 0 H THR A 167 5.612 -17.695 -7.578 1.00 1.51 H new ATOM 0 HA THR A 167 3.398 -17.177 -9.491 1.00 2.01 H new ATOM 0 HB THR A 167 3.658 -19.504 -10.372 1.00 3.10 H new ATOM 0 HG1 THR A 167 5.666 -20.577 -9.886 1.00 3.65 H new ATOM 0 HG21 THR A 167 5.654 -19.063 -11.772 1.00 3.92 H new ATOM 0 HG22 THR A 167 4.658 -17.598 -11.600 1.00 3.92 H new ATOM 0 HG23 THR A 167 6.155 -17.773 -10.653 1.00 3.92 H new ATOM 2578 N PRO A 168 2.956 -17.896 -6.747 1.00 1.84 N ATOM 2579 CA PRO A 168 2.143 -18.465 -5.652 1.00 2.36 C ATOM 2580 C PRO A 168 0.684 -18.640 -6.111 1.00 1.79 C ATOM 2581 O PRO A 168 -0.224 -18.502 -5.332 1.00 2.00 O ATOM 2582 CB PRO A 168 2.236 -17.425 -4.504 1.00 3.35 C ATOM 2583 CG PRO A 168 2.928 -16.160 -5.082 1.00 3.48 C ATOM 2584 CD PRO A 168 3.488 -16.537 -6.470 1.00 2.53 C ATOM 0 HA PRO A 168 2.495 -19.448 -5.339 1.00 2.36 H new ATOM 0 HB2 PRO A 168 1.244 -17.181 -4.125 1.00 3.35 H new ATOM 0 HB3 PRO A 168 2.807 -17.827 -3.667 1.00 3.35 H new ATOM 0 HG2 PRO A 168 2.218 -15.337 -5.165 1.00 3.48 H new ATOM 0 HG3 PRO A 168 3.729 -15.825 -4.423 1.00 3.48 H new ATOM 0 HD2 PRO A 168 3.167 -15.826 -7.231 1.00 2.53 H new ATOM 0 HD3 PRO A 168 4.578 -16.533 -6.469 1.00 2.53 H new ATOM 2592 N THR A 169 0.449 -18.936 -7.362 1.00 1.73 N ATOM 2593 CA THR A 169 -0.960 -19.105 -7.833 1.00 1.33 C ATOM 2594 C THR A 169 -1.705 -17.770 -7.690 1.00 1.05 C ATOM 2595 O THR A 169 -1.661 -17.130 -6.658 1.00 1.06 O ATOM 2596 CB THR A 169 -1.662 -20.188 -6.993 1.00 1.53 C ATOM 2597 OG1 THR A 169 -0.737 -21.224 -6.694 1.00 1.94 O ATOM 2598 CG2 THR A 169 -2.843 -20.771 -7.775 1.00 2.40 C ATOM 0 H THR A 169 1.166 -19.068 -8.075 1.00 1.73 H new ATOM 0 HA THR A 169 -0.961 -19.411 -8.879 1.00 1.33 H new ATOM 0 HB THR A 169 -2.029 -19.743 -6.068 1.00 1.53 H new ATOM 0 HG1 THR A 169 -1.181 -21.914 -6.158 1.00 1.94 H new ATOM 0 HG21 THR A 169 -3.335 -21.536 -7.175 1.00 2.40 H new ATOM 0 HG22 THR A 169 -3.554 -19.978 -8.005 1.00 2.40 H new ATOM 0 HG23 THR A 169 -2.482 -21.214 -8.703 1.00 2.40 H new ATOM 2606 N TRP A 170 -2.381 -17.344 -8.723 1.00 1.04 N ATOM 2607 CA TRP A 170 -3.119 -16.049 -8.656 1.00 1.01 C ATOM 2608 C TRP A 170 -4.373 -16.202 -7.788 1.00 0.92 C ATOM 2609 O TRP A 170 -4.914 -15.236 -7.287 1.00 0.95 O ATOM 2610 CB TRP A 170 -3.523 -15.626 -10.070 1.00 1.32 C ATOM 2611 CG TRP A 170 -2.303 -15.550 -10.929 1.00 1.70 C ATOM 2612 CD1 TRP A 170 -1.338 -14.608 -10.825 1.00 2.30 C ATOM 2613 CD2 TRP A 170 -1.897 -16.434 -12.015 1.00 2.52 C ATOM 2614 NE1 TRP A 170 -0.366 -14.855 -11.778 1.00 3.04 N ATOM 2615 CE2 TRP A 170 -0.666 -15.970 -12.536 1.00 3.15 C ATOM 2616 CE3 TRP A 170 -2.471 -17.581 -12.592 1.00 3.32 C ATOM 2617 CZ2 TRP A 170 -0.027 -16.621 -13.592 1.00 4.11 C ATOM 2618 CZ3 TRP A 170 -1.831 -18.238 -13.656 1.00 4.37 C ATOM 2619 CH2 TRP A 170 -0.611 -17.759 -14.154 1.00 4.64 C ATOM 0 H TRP A 170 -2.454 -17.838 -9.612 1.00 1.04 H new ATOM 0 HA TRP A 170 -2.474 -15.290 -8.214 1.00 1.01 H new ATOM 0 HB2 TRP A 170 -4.232 -16.341 -10.487 1.00 1.32 H new ATOM 0 HB3 TRP A 170 -4.024 -14.658 -10.044 1.00 1.32 H new ATOM 0 HD1 TRP A 170 -1.328 -13.795 -10.114 1.00 2.30 H new ATOM 0 HE1 TRP A 170 0.469 -14.284 -11.905 1.00 3.04 H new ATOM 0 HE3 TRP A 170 -3.410 -17.959 -12.215 1.00 3.32 H new ATOM 0 HZ2 TRP A 170 0.912 -16.248 -13.972 1.00 4.11 H new ATOM 0 HZ3 TRP A 170 -2.281 -19.117 -14.093 1.00 4.37 H new ATOM 0 HH2 TRP A 170 -0.123 -18.269 -14.971 1.00 4.64 H new ATOM 2630 N GLN A 171 -4.841 -17.405 -7.608 1.00 0.88 N ATOM 2631 CA GLN A 171 -6.059 -17.614 -6.772 1.00 0.84 C ATOM 2632 C GLN A 171 -5.672 -17.633 -5.289 1.00 0.75 C ATOM 2633 O GLN A 171 -6.510 -17.456 -4.428 1.00 0.75 O ATOM 2634 CB GLN A 171 -6.719 -18.944 -7.154 1.00 0.88 C ATOM 2635 CG GLN A 171 -7.434 -18.805 -8.502 1.00 1.57 C ATOM 2636 CD GLN A 171 -6.423 -18.423 -9.585 1.00 1.93 C ATOM 2637 OE1 GLN A 171 -5.344 -18.980 -9.650 1.00 2.66 O ATOM 2638 NE2 GLN A 171 -6.729 -17.492 -10.447 1.00 2.34 N ATOM 0 H GLN A 171 -4.434 -18.253 -8.003 1.00 0.88 H new ATOM 0 HA GLN A 171 -6.762 -16.799 -6.946 1.00 0.84 H new ATOM 0 HB2 GLN A 171 -5.966 -19.730 -7.212 1.00 0.88 H new ATOM 0 HB3 GLN A 171 -7.431 -19.241 -6.384 1.00 0.88 H new ATOM 0 HG2 GLN A 171 -7.924 -19.743 -8.763 1.00 1.57 H new ATOM 0 HG3 GLN A 171 -8.213 -18.046 -8.435 1.00 1.57 H new ATOM 0 HE21 GLN A 171 -7.634 -17.024 -10.393 1.00 2.34 H new ATOM 0 HE22 GLN A 171 -6.063 -17.232 -11.175 1.00 2.34 H new ATOM 2647 N THR A 172 -4.424 -17.843 -4.968 1.00 0.67 N ATOM 2648 CA THR A 172 -4.033 -17.866 -3.524 1.00 0.60 C ATOM 2649 C THR A 172 -3.706 -16.448 -3.064 1.00 0.59 C ATOM 2650 O THR A 172 -4.019 -16.081 -1.951 1.00 0.74 O ATOM 2651 CB THR A 172 -2.814 -18.769 -3.315 1.00 0.59 C ATOM 2652 OG1 THR A 172 -3.215 -20.124 -3.429 1.00 0.81 O ATOM 2653 CG2 THR A 172 -2.206 -18.535 -1.924 1.00 0.92 C ATOM 0 H THR A 172 -3.665 -17.998 -5.631 1.00 0.67 H new ATOM 0 HA THR A 172 -4.864 -18.260 -2.939 1.00 0.60 H new ATOM 0 HB THR A 172 -2.064 -18.534 -4.071 1.00 0.59 H new ATOM 0 HG1 THR A 172 -2.438 -20.707 -3.298 1.00 0.81 H new ATOM 0 HG21 THR A 172 -1.341 -19.184 -1.791 1.00 0.92 H new ATOM 0 HG22 THR A 172 -1.896 -17.494 -1.833 1.00 0.92 H new ATOM 0 HG23 THR A 172 -2.949 -18.760 -1.159 1.00 0.92 H new ATOM 2661 N VAL A 173 -3.129 -15.622 -3.885 1.00 0.59 N ATOM 2662 CA VAL A 173 -2.847 -14.237 -3.446 1.00 0.58 C ATOM 2663 C VAL A 173 -4.167 -13.469 -3.374 1.00 0.57 C ATOM 2664 O VAL A 173 -4.346 -12.604 -2.540 1.00 0.60 O ATOM 2665 CB VAL A 173 -1.943 -13.591 -4.494 1.00 0.64 C ATOM 2666 CG1 VAL A 173 -0.615 -14.348 -4.582 1.00 1.13 C ATOM 2667 CG2 VAL A 173 -2.636 -13.630 -5.862 1.00 1.01 C ATOM 0 H VAL A 173 -2.842 -15.847 -4.838 1.00 0.59 H new ATOM 0 HA VAL A 173 -2.364 -14.226 -2.469 1.00 0.58 H new ATOM 0 HB VAL A 173 -1.750 -12.558 -4.206 1.00 0.64 H new ATOM 0 HG11 VAL A 173 0.022 -13.879 -5.332 1.00 1.13 H new ATOM 0 HG12 VAL A 173 -0.116 -14.321 -3.613 1.00 1.13 H new ATOM 0 HG13 VAL A 173 -0.805 -15.384 -4.863 1.00 1.13 H new ATOM 0 HG21 VAL A 173 -1.991 -13.169 -6.610 1.00 1.01 H new ATOM 0 HG22 VAL A 173 -2.833 -14.665 -6.141 1.00 1.01 H new ATOM 0 HG23 VAL A 173 -3.578 -13.084 -5.809 1.00 1.01 H new ATOM 2677 N THR A 174 -5.098 -13.783 -4.224 1.00 0.55 N ATOM 2678 CA THR A 174 -6.403 -13.071 -4.175 1.00 0.56 C ATOM 2679 C THR A 174 -7.150 -13.484 -2.902 1.00 0.53 C ATOM 2680 O THR A 174 -7.808 -12.678 -2.276 1.00 0.55 O ATOM 2681 CB THR A 174 -7.236 -13.451 -5.398 1.00 0.59 C ATOM 2682 OG1 THR A 174 -7.161 -14.855 -5.598 1.00 1.37 O ATOM 2683 CG2 THR A 174 -6.694 -12.728 -6.630 1.00 1.27 C ATOM 0 H THR A 174 -5.015 -14.497 -4.947 1.00 0.55 H new ATOM 0 HA THR A 174 -6.235 -11.994 -4.172 1.00 0.56 H new ATOM 0 HB THR A 174 -8.274 -13.160 -5.238 1.00 0.59 H new ATOM 0 HG1 THR A 174 -6.410 -15.061 -6.193 1.00 1.37 H new ATOM 0 HG21 THR A 174 -7.289 -13.000 -7.502 1.00 1.27 H new ATOM 0 HG22 THR A 174 -6.750 -11.651 -6.474 1.00 1.27 H new ATOM 0 HG23 THR A 174 -5.656 -13.017 -6.794 1.00 1.27 H new ATOM 2691 N ILE A 175 -7.061 -14.726 -2.510 1.00 0.51 N ATOM 2692 CA ILE A 175 -7.778 -15.162 -1.275 1.00 0.50 C ATOM 2693 C ILE A 175 -6.970 -14.720 -0.051 1.00 0.49 C ATOM 2694 O ILE A 175 -7.479 -14.626 1.048 1.00 0.49 O ATOM 2695 CB ILE A 175 -7.892 -16.686 -1.286 1.00 0.52 C ATOM 2696 CG1 ILE A 175 -8.758 -17.125 -2.467 1.00 0.77 C ATOM 2697 CG2 ILE A 175 -8.520 -17.189 0.015 1.00 0.87 C ATOM 2698 CD1 ILE A 175 -8.612 -18.635 -2.660 1.00 0.89 C ATOM 0 H ILE A 175 -6.528 -15.453 -2.986 1.00 0.51 H new ATOM 0 HA ILE A 175 -8.773 -14.718 -1.237 1.00 0.50 H new ATOM 0 HB ILE A 175 -6.892 -17.109 -1.380 1.00 0.52 H new ATOM 0 HG12 ILE A 175 -9.801 -16.868 -2.284 1.00 0.77 H new ATOM 0 HG13 ILE A 175 -8.454 -16.599 -3.372 1.00 0.77 H new ATOM 0 HG21 ILE A 175 -8.592 -18.276 -0.013 1.00 0.87 H new ATOM 0 HG22 ILE A 175 -7.899 -16.888 0.859 1.00 0.87 H new ATOM 0 HG23 ILE A 175 -9.516 -16.762 0.127 1.00 0.87 H new ATOM 0 HD11 ILE A 175 -9.227 -18.955 -3.501 1.00 0.89 H new ATOM 0 HD12 ILE A 175 -7.568 -18.877 -2.861 1.00 0.89 H new ATOM 0 HD13 ILE A 175 -8.936 -19.150 -1.756 1.00 0.89 H new ATOM 2710 N PHE A 176 -5.713 -14.425 -0.250 1.00 0.48 N ATOM 2711 CA PHE A 176 -4.853 -13.959 0.873 1.00 0.49 C ATOM 2712 C PHE A 176 -5.191 -12.493 1.169 1.00 0.49 C ATOM 2713 O PHE A 176 -5.400 -12.103 2.300 1.00 0.56 O ATOM 2714 CB PHE A 176 -3.387 -14.042 0.433 1.00 0.51 C ATOM 2715 CG PHE A 176 -2.498 -13.881 1.645 1.00 0.51 C ATOM 2716 CD1 PHE A 176 -2.329 -14.950 2.535 1.00 1.41 C ATOM 2717 CD2 PHE A 176 -1.854 -12.663 1.886 1.00 1.23 C ATOM 2718 CE1 PHE A 176 -1.514 -14.800 3.663 1.00 1.52 C ATOM 2719 CE2 PHE A 176 -1.040 -12.512 3.014 1.00 1.22 C ATOM 2720 CZ PHE A 176 -0.870 -13.581 3.903 1.00 0.76 C ATOM 0 H PHE A 176 -5.242 -14.488 -1.153 1.00 0.48 H new ATOM 0 HA PHE A 176 -5.018 -14.574 1.758 1.00 0.49 H new ATOM 0 HB2 PHE A 176 -3.193 -14.999 -0.051 1.00 0.51 H new ATOM 0 HB3 PHE A 176 -3.169 -13.264 -0.299 1.00 0.51 H new ATOM 0 HD1 PHE A 176 -2.828 -15.890 2.351 1.00 1.41 H new ATOM 0 HD2 PHE A 176 -1.985 -11.838 1.201 1.00 1.23 H new ATOM 0 HE1 PHE A 176 -1.382 -15.625 4.348 1.00 1.52 H new ATOM 0 HE2 PHE A 176 -0.543 -11.571 3.199 1.00 1.22 H new ATOM 0 HZ PHE A 176 -0.242 -13.464 4.774 1.00 0.76 H new ATOM 2730 N VAL A 177 -5.222 -11.678 0.146 1.00 0.46 N ATOM 2731 CA VAL A 177 -5.524 -10.228 0.331 1.00 0.48 C ATOM 2732 C VAL A 177 -7.026 -10.036 0.539 1.00 0.44 C ATOM 2733 O VAL A 177 -7.455 -9.110 1.199 1.00 0.57 O ATOM 2734 CB VAL A 177 -5.092 -9.475 -0.933 1.00 0.56 C ATOM 2735 CG1 VAL A 177 -5.512 -8.006 -0.840 1.00 1.20 C ATOM 2736 CG2 VAL A 177 -3.572 -9.559 -1.089 1.00 1.24 C ATOM 0 H VAL A 177 -5.049 -11.959 -0.819 1.00 0.46 H new ATOM 0 HA VAL A 177 -4.990 -9.848 1.202 1.00 0.48 H new ATOM 0 HB VAL A 177 -5.574 -9.932 -1.797 1.00 0.56 H new ATOM 0 HG11 VAL A 177 -5.200 -7.481 -1.743 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -6.596 -7.943 -0.739 1.00 1.20 H new ATOM 0 HG13 VAL A 177 -5.040 -7.547 0.028 1.00 1.20 H new ATOM 0 HG21 VAL A 177 -3.268 -9.023 -1.988 1.00 1.24 H new ATOM 0 HG22 VAL A 177 -3.092 -9.110 -0.219 1.00 1.24 H new ATOM 0 HG23 VAL A 177 -3.272 -10.604 -1.171 1.00 1.24 H new ATOM 2746 N ALA A 178 -7.832 -10.899 -0.008 1.00 0.45 N ATOM 2747 CA ALA A 178 -9.305 -10.756 0.173 1.00 0.43 C ATOM 2748 C ALA A 178 -9.721 -11.393 1.502 1.00 0.40 C ATOM 2749 O ALA A 178 -10.448 -10.811 2.283 1.00 0.40 O ATOM 2750 CB ALA A 178 -10.027 -11.464 -0.972 1.00 0.46 C ATOM 0 H ALA A 178 -7.538 -11.696 -0.572 1.00 0.45 H new ATOM 0 HA ALA A 178 -9.569 -9.699 0.176 1.00 0.43 H new ATOM 0 HB1 ALA A 178 -11.104 -11.361 -0.842 1.00 0.46 H new ATOM 0 HB2 ALA A 178 -9.732 -11.016 -1.921 1.00 0.46 H new ATOM 0 HB3 ALA A 178 -9.761 -12.521 -0.971 1.00 0.46 H new ATOM 2756 N GLY A 179 -9.273 -12.592 1.753 1.00 0.41 N ATOM 2757 CA GLY A 179 -9.646 -13.287 3.018 1.00 0.43 C ATOM 2758 C GLY A 179 -9.162 -12.491 4.232 1.00 0.43 C ATOM 2759 O GLY A 179 -9.835 -12.414 5.242 1.00 0.48 O ATOM 0 H GLY A 179 -8.661 -13.123 1.133 1.00 0.41 H new ATOM 0 HA2 GLY A 179 -10.728 -13.412 3.066 1.00 0.43 H new ATOM 0 HA3 GLY A 179 -9.209 -14.286 3.033 1.00 0.43 H new ATOM 2763 N VAL A 180 -7.991 -11.921 4.160 1.00 0.42 N ATOM 2764 CA VAL A 180 -7.462 -11.166 5.332 1.00 0.45 C ATOM 2765 C VAL A 180 -8.083 -9.770 5.424 1.00 0.45 C ATOM 2766 O VAL A 180 -8.496 -9.324 6.479 1.00 0.43 O ATOM 2767 CB VAL A 180 -5.944 -11.025 5.217 1.00 0.49 C ATOM 2768 CG1 VAL A 180 -5.417 -10.203 6.396 1.00 1.31 C ATOM 2769 CG2 VAL A 180 -5.294 -12.410 5.238 1.00 1.41 C ATOM 0 H VAL A 180 -7.379 -11.945 3.344 1.00 0.42 H new ATOM 0 HA VAL A 180 -7.723 -11.725 6.231 1.00 0.45 H new ATOM 0 HB VAL A 180 -5.700 -10.523 4.281 1.00 0.49 H new ATOM 0 HG11 VAL A 180 -4.335 -10.102 6.314 1.00 1.31 H new ATOM 0 HG12 VAL A 180 -5.875 -9.214 6.384 1.00 1.31 H new ATOM 0 HG13 VAL A 180 -5.665 -10.707 7.330 1.00 1.31 H new ATOM 0 HG21 VAL A 180 -4.212 -12.305 5.156 1.00 1.41 H new ATOM 0 HG22 VAL A 180 -5.540 -12.913 6.173 1.00 1.41 H new ATOM 0 HG23 VAL A 180 -5.666 -12.999 4.400 1.00 1.41 H new ATOM 2779 N LEU A 181 -8.141 -9.081 4.318 1.00 0.49 N ATOM 2780 CA LEU A 181 -8.721 -7.711 4.313 1.00 0.50 C ATOM 2781 C LEU A 181 -10.144 -7.781 4.867 1.00 0.49 C ATOM 2782 O LEU A 181 -10.611 -6.904 5.572 1.00 0.51 O ATOM 2783 CB LEU A 181 -8.746 -7.207 2.869 1.00 0.56 C ATOM 2784 CG LEU A 181 -9.456 -5.855 2.767 1.00 0.64 C ATOM 2785 CD1 LEU A 181 -8.899 -4.862 3.791 1.00 1.60 C ATOM 2786 CD2 LEU A 181 -9.250 -5.320 1.349 1.00 1.20 C ATOM 0 H LEU A 181 -7.809 -9.412 3.412 1.00 0.49 H new ATOM 0 HA LEU A 181 -8.128 -7.034 4.928 1.00 0.50 H new ATOM 0 HB2 LEU A 181 -7.726 -7.114 2.496 1.00 0.56 H new ATOM 0 HB3 LEU A 181 -9.252 -7.935 2.236 1.00 0.56 H new ATOM 0 HG LEU A 181 -10.518 -5.982 2.979 1.00 0.64 H new ATOM 0 HD11 LEU A 181 -9.421 -3.910 3.696 1.00 1.60 H new ATOM 0 HD12 LEU A 181 -9.044 -5.257 4.797 1.00 1.60 H new ATOM 0 HD13 LEU A 181 -7.835 -4.711 3.610 1.00 1.60 H new ATOM 0 HD21 LEU A 181 -9.747 -4.355 1.248 1.00 1.20 H new ATOM 0 HD22 LEU A 181 -8.184 -5.201 1.156 1.00 1.20 H new ATOM 0 HD23 LEU A 181 -9.672 -6.022 0.630 1.00 1.20 H new ATOM 2798 N THR A 182 -10.832 -8.845 4.541 1.00 0.49 N ATOM 2799 CA THR A 182 -12.225 -9.020 5.025 1.00 0.51 C ATOM 2800 C THR A 182 -12.205 -9.273 6.526 1.00 0.48 C ATOM 2801 O THR A 182 -13.102 -8.883 7.245 1.00 0.51 O ATOM 2802 CB THR A 182 -12.872 -10.213 4.315 1.00 0.54 C ATOM 2803 OG1 THR A 182 -11.970 -11.312 4.309 1.00 1.16 O ATOM 2804 CG2 THR A 182 -13.211 -9.824 2.878 1.00 1.07 C ATOM 0 H THR A 182 -10.482 -9.603 3.956 1.00 0.49 H new ATOM 0 HA THR A 182 -12.801 -8.119 4.811 1.00 0.51 H new ATOM 0 HB THR A 182 -13.783 -10.498 4.841 1.00 0.54 H new ATOM 0 HG1 THR A 182 -11.575 -11.407 3.417 1.00 1.16 H new ATOM 0 HG21 THR A 182 -13.672 -10.672 2.371 1.00 1.07 H new ATOM 0 HG22 THR A 182 -13.905 -8.983 2.883 1.00 1.07 H new ATOM 0 HG23 THR A 182 -12.299 -9.539 2.353 1.00 1.07 H new ATOM 2812 N ALA A 183 -11.189 -9.939 7.003 1.00 0.45 N ATOM 2813 CA ALA A 183 -11.121 -10.229 8.457 1.00 0.44 C ATOM 2814 C ALA A 183 -11.292 -8.917 9.229 1.00 0.44 C ATOM 2815 O ALA A 183 -12.022 -8.838 10.196 1.00 0.50 O ATOM 2816 CB ALA A 183 -9.764 -10.856 8.792 1.00 0.46 C ATOM 0 H ALA A 183 -10.408 -10.292 6.449 1.00 0.45 H new ATOM 0 HA ALA A 183 -11.911 -10.926 8.736 1.00 0.44 H new ATOM 0 HB1 ALA A 183 -9.715 -11.069 9.860 1.00 0.46 H new ATOM 0 HB2 ALA A 183 -9.643 -11.783 8.232 1.00 0.46 H new ATOM 0 HB3 ALA A 183 -8.967 -10.163 8.523 1.00 0.46 H new ATOM 2822 N SER A 184 -10.618 -7.884 8.784 1.00 0.47 N ATOM 2823 CA SER A 184 -10.715 -6.551 9.459 1.00 0.51 C ATOM 2824 C SER A 184 -12.149 -6.027 9.369 1.00 0.54 C ATOM 2825 O SER A 184 -12.703 -5.499 10.309 1.00 0.56 O ATOM 2826 CB SER A 184 -9.781 -5.561 8.765 1.00 0.62 C ATOM 2827 OG SER A 184 -8.431 -5.930 9.017 1.00 1.55 O ATOM 0 H SER A 184 -9.999 -7.908 7.974 1.00 0.47 H new ATOM 0 HA SER A 184 -10.431 -6.660 10.506 1.00 0.51 H new ATOM 0 HB2 SER A 184 -9.973 -5.553 7.692 1.00 0.62 H new ATOM 0 HB3 SER A 184 -9.968 -4.551 9.130 1.00 0.62 H new ATOM 0 HG SER A 184 -7.910 -5.850 8.191 1.00 1.55 H new ATOM 2833 N LEU A 185 -12.769 -6.180 8.251 1.00 0.58 N ATOM 2834 CA LEU A 185 -14.166 -5.712 8.129 1.00 0.69 C ATOM 2835 C LEU A 185 -15.030 -6.624 9.002 1.00 0.69 C ATOM 2836 O LEU A 185 -16.108 -6.272 9.440 1.00 0.79 O ATOM 2837 CB LEU A 185 -14.578 -5.834 6.654 1.00 0.71 C ATOM 2838 CG LEU A 185 -14.237 -4.542 5.838 1.00 0.79 C ATOM 2839 CD1 LEU A 185 -12.997 -3.787 6.378 1.00 1.62 C ATOM 2840 CD2 LEU A 185 -13.970 -4.939 4.381 1.00 1.18 C ATOM 0 H LEU A 185 -12.374 -6.608 7.414 1.00 0.58 H new ATOM 0 HA LEU A 185 -14.283 -4.677 8.449 1.00 0.69 H new ATOM 0 HB2 LEU A 185 -14.072 -6.689 6.206 1.00 0.71 H new ATOM 0 HB3 LEU A 185 -15.649 -6.029 6.592 1.00 0.71 H new ATOM 0 HG LEU A 185 -15.090 -3.870 5.928 1.00 0.79 H new ATOM 0 HD11 LEU A 185 -12.816 -2.902 5.768 1.00 1.62 H new ATOM 0 HD12 LEU A 185 -13.175 -3.486 7.410 1.00 1.62 H new ATOM 0 HD13 LEU A 185 -12.126 -4.441 6.336 1.00 1.62 H new ATOM 0 HD21 LEU A 185 -13.731 -4.049 3.799 1.00 1.18 H new ATOM 0 HD22 LEU A 185 -13.132 -5.635 4.341 1.00 1.18 H new ATOM 0 HD23 LEU A 185 -14.857 -5.416 3.965 1.00 1.18 H new ATOM 2852 N THR A 186 -14.546 -7.819 9.221 1.00 0.62 N ATOM 2853 CA THR A 186 -15.298 -8.821 10.022 1.00 0.68 C ATOM 2854 C THR A 186 -15.137 -8.622 11.529 1.00 0.62 C ATOM 2855 O THR A 186 -16.109 -8.722 12.251 1.00 0.64 O ATOM 2856 CB THR A 186 -14.804 -10.226 9.680 1.00 0.73 C ATOM 2857 OG1 THR A 186 -14.672 -10.350 8.273 1.00 0.89 O ATOM 2858 CG2 THR A 186 -15.811 -11.255 10.200 1.00 1.00 C ATOM 0 H THR A 186 -13.645 -8.145 8.871 1.00 0.62 H new ATOM 0 HA THR A 186 -16.351 -8.691 9.770 1.00 0.68 H new ATOM 0 HB THR A 186 -13.835 -10.400 10.147 1.00 0.73 H new ATOM 0 HG1 THR A 186 -13.833 -9.933 7.985 1.00 0.89 H new ATOM 0 HG21 THR A 186 -15.463 -12.259 9.958 1.00 1.00 H new ATOM 0 HG22 THR A 186 -15.908 -11.155 11.281 1.00 1.00 H new ATOM 0 HG23 THR A 186 -16.780 -11.085 9.731 1.00 1.00 H new ATOM 2866 N ILE A 187 -13.950 -8.390 12.059 1.00 0.64 N ATOM 2867 CA ILE A 187 -13.884 -8.268 13.545 1.00 0.66 C ATOM 2868 C ILE A 187 -14.508 -6.934 13.956 1.00 0.66 C ATOM 2869 O ILE A 187 -14.677 -6.670 15.128 1.00 0.75 O ATOM 2870 CB ILE A 187 -12.434 -8.428 14.076 1.00 0.72 C ATOM 2871 CG1 ILE A 187 -11.409 -7.623 13.245 1.00 0.88 C ATOM 2872 CG2 ILE A 187 -12.042 -9.905 13.987 1.00 1.57 C ATOM 2873 CD1 ILE A 187 -11.892 -6.204 12.996 1.00 0.87 C ATOM 0 H ILE A 187 -13.071 -8.286 11.552 1.00 0.64 H new ATOM 0 HA ILE A 187 -14.452 -9.080 13.999 1.00 0.66 H new ATOM 0 HB ILE A 187 -12.418 -8.056 15.100 1.00 0.72 H new ATOM 0 HG12 ILE A 187 -10.453 -7.597 13.768 1.00 0.88 H new ATOM 0 HG13 ILE A 187 -11.237 -8.123 12.292 1.00 0.88 H new ATOM 0 HG21 ILE A 187 -11.025 -10.034 14.357 1.00 1.57 H new ATOM 0 HG22 ILE A 187 -12.726 -10.500 14.592 1.00 1.57 H new ATOM 0 HG23 ILE A 187 -12.095 -10.234 12.949 1.00 1.57 H new ATOM 0 HD11 ILE A 187 -11.149 -5.664 12.409 1.00 0.87 H new ATOM 0 HD12 ILE A 187 -12.835 -6.231 12.450 1.00 0.87 H new ATOM 0 HD13 ILE A 187 -12.039 -5.697 13.950 1.00 0.87 H new ATOM 2885 N TRP A 188 -14.823 -6.058 13.028 1.00 0.64 N ATOM 2886 CA TRP A 188 -15.390 -4.745 13.418 1.00 0.70 C ATOM 2887 C TRP A 188 -16.582 -4.947 14.360 1.00 0.81 C ATOM 2888 O TRP A 188 -17.133 -3.992 14.862 1.00 1.06 O ATOM 2889 CB TRP A 188 -15.835 -4.044 12.134 1.00 0.85 C ATOM 2890 CG TRP A 188 -15.922 -2.575 12.342 1.00 0.92 C ATOM 2891 CD1 TRP A 188 -14.907 -1.704 12.151 1.00 1.76 C ATOM 2892 CD2 TRP A 188 -17.070 -1.790 12.757 1.00 1.04 C ATOM 2893 NE1 TRP A 188 -15.359 -0.429 12.432 1.00 2.01 N ATOM 2894 CE2 TRP A 188 -16.687 -0.431 12.812 1.00 1.34 C ATOM 2895 CE3 TRP A 188 -18.393 -2.124 13.094 1.00 1.79 C ATOM 2896 CZ2 TRP A 188 -17.588 0.565 13.186 1.00 1.47 C ATOM 2897 CZ3 TRP A 188 -19.303 -1.125 13.471 1.00 2.17 C ATOM 2898 CH2 TRP A 188 -18.900 0.217 13.518 1.00 1.71 C ATOM 0 H TRP A 188 -14.709 -6.203 12.025 1.00 0.64 H new ATOM 0 HA TRP A 188 -14.650 -4.142 13.944 1.00 0.70 H new ATOM 0 HB2 TRP A 188 -15.130 -4.262 11.332 1.00 0.85 H new ATOM 0 HB3 TRP A 188 -16.805 -4.430 11.820 1.00 0.85 H new ATOM 0 HD1 TRP A 188 -13.908 -1.962 11.832 1.00 1.76 H new ATOM 0 HE1 TRP A 188 -14.783 0.410 12.367 1.00 2.01 H new ATOM 0 HE3 TRP A 188 -18.711 -3.156 13.063 1.00 1.79 H new ATOM 0 HZ2 TRP A 188 -17.274 1.598 13.219 1.00 1.47 H new ATOM 0 HZ3 TRP A 188 -20.318 -1.391 13.726 1.00 2.17 H new ATOM 0 HH2 TRP A 188 -19.604 0.982 13.811 1.00 1.71 H new ATOM 2909 N LYS A 189 -16.984 -6.167 14.595 1.00 0.95 N ATOM 2910 CA LYS A 189 -18.140 -6.418 15.504 1.00 1.23 C ATOM 2911 C LYS A 189 -19.430 -5.924 14.846 1.00 1.53 C ATOM 2912 O LYS A 189 -20.129 -5.084 15.378 1.00 2.02 O ATOM 2913 CB LYS A 189 -17.915 -5.686 16.841 1.00 1.90 C ATOM 2914 CG LYS A 189 -18.768 -6.313 17.954 1.00 2.68 C ATOM 2915 CD LYS A 189 -18.180 -5.938 19.319 1.00 3.60 C ATOM 2916 CE LYS A 189 -18.208 -4.418 19.497 1.00 4.51 C ATOM 2917 NZ LYS A 189 -17.890 -4.080 20.914 1.00 5.09 N ATOM 0 H LYS A 189 -16.560 -7.004 14.195 1.00 0.95 H new ATOM 0 HA LYS A 189 -18.226 -7.488 15.694 1.00 1.23 H new ATOM 0 HB2 LYS A 189 -16.861 -5.733 17.114 1.00 1.90 H new ATOM 0 HB3 LYS A 189 -18.169 -4.632 16.731 1.00 1.90 H new ATOM 0 HG2 LYS A 189 -19.797 -5.962 17.880 1.00 2.68 H new ATOM 0 HG3 LYS A 189 -18.792 -7.397 17.842 1.00 2.68 H new ATOM 0 HD2 LYS A 189 -18.751 -6.417 20.115 1.00 3.60 H new ATOM 0 HD3 LYS A 189 -17.156 -6.303 19.397 1.00 3.60 H new ATOM 0 HE2 LYS A 189 -17.486 -3.949 18.829 1.00 4.51 H new ATOM 0 HE3 LYS A 189 -19.190 -4.027 19.230 1.00 4.51 H new ATOM 0 HZ1 LYS A 189 -17.908 -3.047 21.037 1.00 5.09 H new ATOM 0 HZ2 LYS A 189 -18.595 -4.516 21.542 1.00 5.09 H new ATOM 0 HZ3 LYS A 189 -16.944 -4.440 21.153 1.00 5.09 H new ATOM 2931 N LYS A 190 -19.754 -6.449 13.695 1.00 2.36 N ATOM 2932 CA LYS A 190 -21.003 -6.025 13.000 1.00 3.37 C ATOM 2933 C LYS A 190 -22.176 -6.853 13.531 1.00 3.71 C ATOM 2934 O LYS A 190 -23.204 -6.322 13.903 1.00 4.35 O ATOM 2935 CB LYS A 190 -20.853 -6.261 11.495 1.00 4.30 C ATOM 2936 CG LYS A 190 -22.107 -5.765 10.771 1.00 5.08 C ATOM 2937 CD LYS A 190 -21.904 -5.884 9.259 1.00 5.78 C ATOM 2938 CE LYS A 190 -23.195 -5.493 8.537 1.00 6.76 C ATOM 2939 NZ LYS A 190 -23.598 -4.119 8.950 1.00 7.40 N ATOM 0 H LYS A 190 -19.205 -7.156 13.205 1.00 2.36 H new ATOM 0 HA LYS A 190 -21.186 -4.966 13.184 1.00 3.37 H new ATOM 0 HB2 LYS A 190 -19.973 -5.738 11.120 1.00 4.30 H new ATOM 0 HB3 LYS A 190 -20.701 -7.322 11.296 1.00 4.30 H new ATOM 0 HG2 LYS A 190 -22.973 -6.350 11.079 1.00 5.08 H new ATOM 0 HG3 LYS A 190 -22.310 -4.729 11.041 1.00 5.08 H new ATOM 0 HD2 LYS A 190 -21.086 -5.238 8.939 1.00 5.78 H new ATOM 0 HD3 LYS A 190 -21.624 -6.905 8.998 1.00 5.78 H new ATOM 0 HE2 LYS A 190 -23.047 -5.531 7.458 1.00 6.76 H new ATOM 0 HE3 LYS A 190 -23.987 -6.203 8.775 1.00 6.76 H new ATOM 0 HZ1 LYS A 190 -24.288 -3.740 8.270 1.00 7.40 H new ATOM 0 HZ2 LYS A 190 -24.028 -4.153 9.896 1.00 7.40 H new ATOM 0 HZ3 LYS A 190 -22.760 -3.503 8.973 1.00 7.40 H new ATOM 2953 N MET A 191 -22.024 -8.155 13.569 1.00 3.81 N ATOM 2954 CA MET A 191 -23.118 -9.044 14.075 1.00 4.63 C ATOM 2955 C MET A 191 -22.715 -9.623 15.434 1.00 4.97 C ATOM 2956 O MET A 191 -23.535 -9.794 16.314 1.00 5.27 O ATOM 2957 CB MET A 191 -23.337 -10.188 13.084 1.00 5.48 C ATOM 2958 CG MET A 191 -23.711 -9.615 11.717 1.00 5.71 C ATOM 2959 SD MET A 191 -24.016 -10.970 10.558 1.00 7.00 S ATOM 2960 CE MET A 191 -23.550 -10.083 9.052 1.00 7.52 C ATOM 0 H MET A 191 -21.181 -8.644 13.268 1.00 3.81 H new ATOM 0 HA MET A 191 -24.037 -8.468 14.181 1.00 4.63 H new ATOM 0 HB2 MET A 191 -22.432 -10.790 13.002 1.00 5.48 H new ATOM 0 HB3 MET A 191 -24.128 -10.847 13.442 1.00 5.48 H new ATOM 0 HG2 MET A 191 -24.599 -8.990 11.804 1.00 5.71 H new ATOM 0 HG3 MET A 191 -22.908 -8.978 11.346 1.00 5.71 H new ATOM 0 HE1 MET A 191 -23.664 -10.742 8.192 1.00 7.52 H new ATOM 0 HE2 MET A 191 -24.193 -9.212 8.929 1.00 7.52 H new ATOM 0 HE3 MET A 191 -22.512 -9.760 9.127 1.00 7.52 H new ATOM 2970 N GLY A 192 -21.458 -9.926 15.612 1.00 5.37 N ATOM 2971 CA GLY A 192 -21.005 -10.494 16.914 1.00 6.15 C ATOM 2972 C GLY A 192 -21.490 -11.940 17.038 1.00 6.68 C ATOM 2973 O GLY A 192 -20.892 -12.681 17.800 1.00 7.01 O ATOM 2974 OXT GLY A 192 -22.450 -12.281 16.368 1.00 7.06 O ATOM 0 H GLY A 192 -20.725 -9.805 14.913 1.00 5.37 H new ATOM 0 HA2 GLY A 192 -19.918 -10.457 16.980 1.00 6.15 H new ATOM 0 HA3 GLY A 192 -21.395 -9.897 17.738 1.00 6.15 H new TER 2978 GLY A 192