USER MOD reduce.3.24.130724 H: found=0, std=0, add=931, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 928 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 3 CYS SG : rot -122:sc= 0.387 USER MOD Set 1.2: A 5 CYS SG : rot -141:sc= -3.2! USER MOD Set 1.3: A 7 SER OG : rot 165:sc= 0.443 USER MOD Set 1.4: A 14 CYS SG : rot -83:sc= 0.381 USER MOD Set 1.5: A 15 CYS SG : rot 102:sc= -2.48! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -129:sc= 0.77 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 160:sc= -0.144 USER MOD Single : A 27 SER OG : rot 180:sc= -0.305 USER MOD Single : A 32 MET CE :methyl -179:sc= -0.89 (180deg=-0.895) USER MOD Single : A 34 SER OG : rot 108:sc= 1.22 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 39 TYR OH : rot -166:sc= 0.265 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.85! USER MOD Single : A 50 THR OG1 : rot -70:sc= 0.478 USER MOD Single : A 51 THR OG1 : rot -152:sc= 1.36 USER MOD Single : A 61 HIS : no HD1:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.918 K(o=-0.92,f=-2.6!) USER MOD Single : A 68 MET CE :methyl -143:sc= -0.562 (180deg=-1.71) USER MOD Single : A 71 SER OG : rot -20:sc= 0.14 USER MOD Single : A 81 SER OG : rot -120:sc= -0.33 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0501 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 104 GLN :FLIP amide:sc= -0.402 F(o=-2.2,f=-0.4) USER MOD Single : A 105 SER OG : rot 35:sc= 0.0854 USER MOD Single : A 106 HIS : no HD1:sc= -0.328 K(o=-0.33,f=-2) USER MOD Single : A 107 HIS : no HD1:sc= -0.967 K(o=-0.97,f=-1.5) USER MOD Single : A 110 SER OG : rot 180:sc= -0.676 USER MOD Single : A 111 GLN : amide:sc= -1.22 X(o=-1.2,f=-1) USER MOD Single : A 114 LYS NZ :NH3+ 165:sc= 1.13 (180deg=0.86) USER MOD Single : A 120 TYR OH : rot 180:sc= 1.24 USER MOD Single : A 122 SER OG : rot -62:sc= 0.0493 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -0.949 -4.944 -2.571 1.00 0.00 N ATOM 35 CA CYS A 3 -2.131 -5.513 -1.932 1.00 0.00 C ATOM 36 C CYS A 3 -1.755 -6.743 -1.104 1.00 0.00 C ATOM 37 O CYS A 3 -0.800 -7.451 -1.429 1.00 0.00 O ATOM 38 CB CYS A 3 -3.178 -5.896 -2.988 1.00 0.00 C ATOM 39 SG CYS A 3 -4.836 -6.220 -2.298 1.00 0.00 S ATOM 0 HA CYS A 3 -2.556 -4.760 -1.269 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.251 -5.093 -3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.836 -6.784 -3.520 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.209 -7.425 -2.612 1.00 0.00 H new ATOM 44 N VAL A 4 -2.520 -7.004 -0.044 1.00 0.00 N ATOM 45 CA VAL A 4 -2.302 -8.177 0.808 1.00 0.00 C ATOM 46 C VAL A 4 -2.892 -9.441 0.168 1.00 0.00 C ATOM 47 O VAL A 4 -3.361 -10.344 0.858 1.00 0.00 O ATOM 48 CB VAL A 4 -2.926 -7.970 2.215 1.00 0.00 C ATOM 49 CG1 VAL A 4 -2.313 -6.752 2.904 1.00 0.00 C ATOM 50 CG2 VAL A 4 -4.447 -7.837 2.127 1.00 0.00 C ATOM 0 H VAL A 4 -3.301 -6.416 0.248 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.225 -8.304 0.914 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.701 -8.851 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.764 -6.625 3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.238 -6.898 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.498 -5.862 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.858 -7.693 3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.702 -6.980 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.867 -8.743 1.689 1.00 0.00 H new ATOM 60 N CYS A 5 -2.841 -9.512 -1.157 1.00 0.00 N ATOM 61 CA CYS A 5 -3.395 -10.640 -1.894 1.00 0.00 C ATOM 62 C CYS A 5 -2.742 -10.702 -3.268 1.00 0.00 C ATOM 63 O CYS A 5 -2.205 -9.696 -3.727 1.00 0.00 O ATOM 64 CB CYS A 5 -4.921 -10.509 -2.033 1.00 0.00 C ATOM 65 SG CYS A 5 -5.468 -9.772 -3.606 1.00 0.00 S ATOM 0 H CYS A 5 -2.418 -8.795 -1.746 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.189 -11.560 -1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.370 -11.497 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.299 -9.902 -1.210 1.00 0.00 H new ATOM 0 HG CYS A 5 -6.481 -8.987 -3.388 1.00 0.00 H new ATOM 70 N GLY A 6 -2.800 -11.872 -3.911 1.00 0.00 N ATOM 71 CA GLY A 6 -2.141 -12.076 -5.199 1.00 0.00 C ATOM 72 C GLY A 6 -2.596 -11.109 -6.285 1.00 0.00 C ATOM 73 O GLY A 6 -3.423 -11.456 -7.129 1.00 0.00 O ATOM 0 H GLY A 6 -3.297 -12.690 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.064 -11.976 -5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.327 -13.097 -5.534 1.00 0.00 H new ATOM 77 N SER A 7 -2.060 -9.894 -6.241 1.00 0.00 N ATOM 78 CA SER A 7 -2.296 -8.870 -7.242 1.00 0.00 C ATOM 79 C SER A 7 -1.198 -7.820 -7.111 1.00 0.00 C ATOM 80 O SER A 7 -1.052 -7.229 -6.041 1.00 0.00 O ATOM 81 CB SER A 7 -3.665 -8.198 -7.036 1.00 0.00 C ATOM 82 OG SER A 7 -4.721 -9.142 -6.992 1.00 0.00 O ATOM 0 H SER A 7 -1.437 -9.591 -5.492 1.00 0.00 H new ATOM 0 HA SER A 7 -2.288 -9.327 -8.232 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.652 -7.626 -6.108 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.846 -7.490 -7.844 1.00 0.00 H new ATOM 0 HG SER A 7 -5.526 -8.715 -6.632 1.00 0.00 H new ATOM 88 N GLY A 8 -0.426 -7.605 -8.177 1.00 0.00 N ATOM 89 CA GLY A 8 0.599 -6.568 -8.174 1.00 0.00 C ATOM 90 C GLY A 8 -0.026 -5.191 -8.246 1.00 0.00 C ATOM 91 O GLY A 8 0.250 -4.404 -9.154 1.00 0.00 O ATOM 0 H GLY A 8 -0.492 -8.133 -9.047 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.203 -6.651 -7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.270 -6.712 -9.021 1.00 0.00 H new ATOM 95 N LYS A 9 -0.873 -4.912 -7.270 1.00 0.00 N ATOM 96 CA LYS A 9 -1.746 -3.747 -7.275 1.00 0.00 C ATOM 97 C LYS A 9 -1.873 -3.197 -5.858 1.00 0.00 C ATOM 98 O LYS A 9 -1.429 -3.831 -4.904 1.00 0.00 O ATOM 99 CB LYS A 9 -3.140 -4.161 -7.767 1.00 0.00 C ATOM 100 CG LYS A 9 -3.160 -4.914 -9.098 1.00 0.00 C ATOM 101 CD LYS A 9 -2.989 -3.986 -10.302 1.00 0.00 C ATOM 102 CE LYS A 9 -4.063 -2.901 -10.362 1.00 0.00 C ATOM 103 NZ LYS A 9 -3.897 -2.021 -11.552 1.00 0.00 N ATOM 0 H LYS A 9 -0.976 -5.495 -6.440 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.326 -2.986 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.606 -4.787 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.755 -3.266 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.364 -5.658 -9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.102 -5.454 -9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.006 -3.517 -10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.021 -4.575 -11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.048 -3.366 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.021 -2.297 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.645 -1.298 -11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.967 -1.557 -11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.963 -2.593 -12.418 1.00 0.00 H new ATOM 117 N THR A 10 -2.503 -2.041 -5.717 1.00 0.00 N ATOM 118 CA THR A 10 -2.791 -1.487 -4.400 1.00 0.00 C ATOM 119 C THR A 10 -4.007 -2.193 -3.791 1.00 0.00 C ATOM 120 O THR A 10 -4.551 -3.133 -4.384 1.00 0.00 O ATOM 121 CB THR A 10 -3.079 0.029 -4.489 1.00 0.00 C ATOM 122 OG1 THR A 10 -4.270 0.254 -5.259 1.00 0.00 O ATOM 123 CG2 THR A 10 -1.917 0.771 -5.133 1.00 0.00 C ATOM 0 H THR A 10 -2.825 -1.467 -6.497 1.00 0.00 H new ATOM 0 HA THR A 10 -1.916 -1.644 -3.769 1.00 0.00 H new ATOM 0 HB THR A 10 -3.214 0.407 -3.476 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.088 0.917 -5.958 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.147 1.835 -5.182 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.016 0.622 -4.538 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.754 0.388 -6.140 1.00 0.00 H new ATOM 131 N TYR A 11 -4.431 -1.755 -2.612 1.00 0.00 N ATOM 132 CA TYR A 11 -5.667 -2.248 -2.018 1.00 0.00 C ATOM 133 C TYR A 11 -6.858 -1.791 -2.857 1.00 0.00 C ATOM 134 O TYR A 11 -7.649 -2.614 -3.338 1.00 0.00 O ATOM 135 CB TYR A 11 -5.814 -1.754 -0.569 1.00 0.00 C ATOM 136 CG TYR A 11 -7.203 -1.972 0.013 1.00 0.00 C ATOM 137 CD1 TYR A 11 -7.670 -3.251 0.302 1.00 0.00 C ATOM 138 CD2 TYR A 11 -8.053 -0.895 0.257 1.00 0.00 C ATOM 139 CE1 TYR A 11 -8.937 -3.448 0.817 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.321 -1.087 0.769 1.00 0.00 C ATOM 141 CZ TYR A 11 -9.759 -2.363 1.048 1.00 0.00 C ATOM 142 OH TYR A 11 -11.024 -2.558 1.554 1.00 0.00 O ATOM 0 H TYR A 11 -3.939 -1.061 -2.050 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.636 -3.337 -2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.083 -2.267 0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.576 -0.691 -0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.032 -4.103 0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.714 0.108 0.042 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.283 -4.447 1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.967 -0.240 0.950 1.00 0.00 H new ATOM 0 HH TYR A 11 -11.471 -1.692 1.659 1.00 0.00 H new ATOM 152 N ASP A 12 -6.951 -0.476 -3.045 1.00 0.00 N ATOM 153 CA ASP A 12 -8.065 0.140 -3.766 1.00 0.00 C ATOM 154 C ASP A 12 -8.146 -0.360 -5.205 1.00 0.00 C ATOM 155 O ASP A 12 -9.160 -0.914 -5.612 1.00 0.00 O ATOM 156 CB ASP A 12 -7.925 1.669 -3.755 1.00 0.00 C ATOM 157 CG ASP A 12 -8.946 2.363 -4.651 1.00 0.00 C ATOM 158 OD1 ASP A 12 -10.088 2.588 -4.203 1.00 0.00 O ATOM 159 OD2 ASP A 12 -8.602 2.694 -5.809 1.00 0.00 O ATOM 0 H ASP A 12 -6.259 0.191 -2.703 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.985 -0.144 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.039 2.032 -2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.920 1.940 -4.080 1.00 0.00 H new ATOM 164 N ASP A 13 -7.060 -0.198 -5.956 1.00 0.00 N ATOM 165 CA ASP A 13 -7.044 -0.550 -7.382 1.00 0.00 C ATOM 166 C ASP A 13 -7.322 -2.032 -7.596 1.00 0.00 C ATOM 167 O ASP A 13 -7.755 -2.445 -8.674 1.00 0.00 O ATOM 168 CB ASP A 13 -5.701 -0.181 -8.026 1.00 0.00 C ATOM 169 CG ASP A 13 -5.548 1.313 -8.249 1.00 0.00 C ATOM 170 OD1 ASP A 13 -6.134 1.836 -9.223 1.00 0.00 O ATOM 171 OD2 ASP A 13 -4.837 1.974 -7.461 1.00 0.00 O ATOM 0 H ASP A 13 -6.177 0.174 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.838 0.024 -7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.889 -0.534 -7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.607 -0.698 -8.981 1.00 0.00 H new ATOM 176 N CYS A 14 -7.057 -2.832 -6.573 1.00 0.00 N ATOM 177 CA CYS A 14 -7.272 -4.271 -6.653 1.00 0.00 C ATOM 178 C CYS A 14 -8.596 -4.687 -6.005 1.00 0.00 C ATOM 179 O CYS A 14 -9.605 -4.835 -6.685 1.00 0.00 O ATOM 180 CB CYS A 14 -6.110 -5.013 -5.999 1.00 0.00 C ATOM 181 SG CYS A 14 -6.394 -6.790 -5.773 1.00 0.00 S ATOM 0 H CYS A 14 -6.692 -2.509 -5.677 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.324 -4.538 -7.708 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.217 -4.874 -6.608 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.907 -4.563 -5.027 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.069 -6.986 -4.679 1.00 0.00 H new ATOM 186 N CYS A 15 -8.583 -4.873 -4.685 1.00 0.00 N ATOM 187 CA CYS A 15 -9.740 -5.411 -3.964 1.00 0.00 C ATOM 188 C CYS A 15 -10.875 -4.390 -3.837 1.00 0.00 C ATOM 189 O CYS A 15 -12.025 -4.773 -3.625 1.00 0.00 O ATOM 190 CB CYS A 15 -9.320 -5.928 -2.580 1.00 0.00 C ATOM 191 SG CYS A 15 -8.436 -7.530 -2.613 1.00 0.00 S ATOM 0 H CYS A 15 -7.782 -4.659 -4.091 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.125 -6.244 -4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.681 -5.183 -2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.209 -6.029 -1.957 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.160 -7.324 -2.476 1.00 0.00 H new ATOM 196 N GLY A 16 -10.547 -3.103 -3.970 1.00 0.00 N ATOM 197 CA GLY A 16 -11.519 -2.044 -3.722 1.00 0.00 C ATOM 198 C GLY A 16 -12.804 -2.171 -4.539 1.00 0.00 C ATOM 199 O GLY A 16 -13.889 -2.228 -3.963 1.00 0.00 O ATOM 0 H GLY A 16 -9.622 -2.774 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.774 -2.041 -2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.056 -1.082 -3.941 1.00 0.00 H new ATOM 203 N PRO A 17 -12.719 -2.256 -5.886 1.00 0.00 N ATOM 204 CA PRO A 17 -13.909 -2.348 -6.749 1.00 0.00 C ATOM 205 C PRO A 17 -14.743 -3.598 -6.468 1.00 0.00 C ATOM 206 O PRO A 17 -15.968 -3.595 -6.639 1.00 0.00 O ATOM 207 CB PRO A 17 -13.328 -2.384 -8.174 1.00 0.00 C ATOM 208 CG PRO A 17 -11.902 -2.786 -8.007 1.00 0.00 C ATOM 209 CD PRO A 17 -11.476 -2.233 -6.678 1.00 0.00 C ATOM 0 HA PRO A 17 -14.593 -1.516 -6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.866 -3.095 -8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.408 -1.410 -8.656 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.796 -3.871 -8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -11.286 -2.387 -8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.696 -2.842 -6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.078 -1.223 -6.772 1.00 0.00 H new ATOM 217 N LEU A 18 -14.072 -4.660 -6.031 1.00 0.00 N ATOM 218 CA LEU A 18 -14.743 -5.917 -5.717 1.00 0.00 C ATOM 219 C LEU A 18 -15.497 -5.794 -4.394 1.00 0.00 C ATOM 220 O LEU A 18 -16.692 -6.080 -4.318 1.00 0.00 O ATOM 221 CB LEU A 18 -13.734 -7.081 -5.653 1.00 0.00 C ATOM 222 CG LEU A 18 -13.110 -7.514 -6.998 1.00 0.00 C ATOM 223 CD1 LEU A 18 -14.193 -7.774 -8.042 1.00 0.00 C ATOM 224 CD2 LEU A 18 -12.110 -6.480 -7.507 1.00 0.00 C ATOM 0 H LEU A 18 -13.062 -4.675 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.456 -6.132 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.928 -6.799 -4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.233 -7.944 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.569 -8.444 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.729 -8.077 -8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.854 -8.567 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.771 -6.864 -8.201 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.690 -6.816 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.616 -5.525 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.309 -6.359 -6.778 1.00 0.00 H new ATOM 236 N LEU A 19 -14.794 -5.330 -3.365 1.00 0.00 N ATOM 237 CA LEU A 19 -15.377 -5.162 -2.034 1.00 0.00 C ATOM 238 C LEU A 19 -16.434 -4.059 -2.029 1.00 0.00 C ATOM 239 O LEU A 19 -17.306 -4.032 -1.162 1.00 0.00 O ATOM 240 CB LEU A 19 -14.277 -4.867 -1.002 1.00 0.00 C ATOM 241 CG LEU A 19 -13.555 -6.109 -0.448 1.00 0.00 C ATOM 242 CD1 LEU A 19 -12.315 -5.708 0.348 1.00 0.00 C ATOM 243 CD2 LEU A 19 -14.506 -6.932 0.420 1.00 0.00 C ATOM 0 H LEU A 19 -13.812 -5.061 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.870 -6.095 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.538 -4.209 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.718 -4.320 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.233 -6.722 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.822 -6.602 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.628 -5.163 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.609 -5.072 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.982 -7.807 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.857 -6.323 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.358 -7.254 -0.178 1.00 0.00 H new ATOM 255 N ALA A 20 -16.356 -3.157 -3.000 1.00 0.00 N ATOM 256 CA ALA A 20 -17.364 -2.112 -3.161 1.00 0.00 C ATOM 257 C ALA A 20 -18.621 -2.670 -3.831 1.00 0.00 C ATOM 258 O ALA A 20 -19.627 -1.970 -3.961 1.00 0.00 O ATOM 259 CB ALA A 20 -16.798 -0.950 -3.970 1.00 0.00 C ATOM 0 H ALA A 20 -15.605 -3.127 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.640 -1.746 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.560 -0.179 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.934 -0.533 -3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.495 -1.306 -4.955 1.00 0.00 H new ATOM 265 N ARG A 21 -18.546 -3.936 -4.262 1.00 0.00 N ATOM 266 CA ARG A 21 -19.656 -4.605 -4.951 1.00 0.00 C ATOM 267 C ARG A 21 -20.041 -3.851 -6.231 1.00 0.00 C ATOM 268 O ARG A 21 -21.151 -4.012 -6.745 1.00 0.00 O ATOM 269 CB ARG A 21 -20.897 -4.736 -4.036 1.00 0.00 C ATOM 270 CG ARG A 21 -20.826 -5.841 -2.974 1.00 0.00 C ATOM 271 CD ARG A 21 -19.947 -5.481 -1.776 1.00 0.00 C ATOM 272 NE ARG A 21 -20.175 -6.404 -0.657 1.00 0.00 N ATOM 273 CZ ARG A 21 -19.443 -6.466 0.459 1.00 0.00 C ATOM 274 NH1 ARG A 21 -18.384 -5.686 0.624 1.00 0.00 N ATOM 275 NH2 ARG A 21 -19.780 -7.322 1.415 1.00 0.00 N ATOM 0 H ARG A 21 -17.719 -4.522 -4.144 1.00 0.00 H new ATOM 0 HA ARG A 21 -19.312 -5.605 -5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -21.056 -3.783 -3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -21.771 -4.915 -4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -21.834 -6.061 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -20.444 -6.752 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.897 -5.512 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -20.160 -4.460 -1.459 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.958 -7.052 -0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.118 -5.026 -0.107 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.836 -5.745 1.482 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.593 -7.927 1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.226 -7.376 2.270 1.00 0.00 H new ATOM 289 N THR A 22 -19.114 -3.052 -6.759 1.00 0.00 N ATOM 290 CA THR A 22 -19.422 -2.161 -7.877 1.00 0.00 C ATOM 291 C THR A 22 -18.915 -2.717 -9.213 1.00 0.00 C ATOM 292 O THR A 22 -19.519 -2.470 -10.261 1.00 0.00 O ATOM 293 CB THR A 22 -18.840 -0.743 -7.638 1.00 0.00 C ATOM 294 OG1 THR A 22 -19.337 0.170 -8.626 1.00 0.00 O ATOM 295 CG2 THR A 22 -17.313 -0.746 -7.674 1.00 0.00 C ATOM 0 H THR A 22 -18.149 -3.003 -6.433 1.00 0.00 H new ATOM 0 HA THR A 22 -20.508 -2.092 -7.933 1.00 0.00 H new ATOM 0 HB THR A 22 -19.158 -0.423 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.964 1.062 -8.464 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.943 0.265 -7.503 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.932 -1.409 -6.897 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.973 -1.097 -8.648 1.00 0.00 H new ATOM 303 N ARG A 23 -17.823 -3.479 -9.179 1.00 0.00 N ATOM 304 CA ARG A 23 -17.214 -4.004 -10.403 1.00 0.00 C ATOM 305 C ARG A 23 -17.026 -5.516 -10.315 1.00 0.00 C ATOM 306 O ARG A 23 -16.666 -6.045 -9.263 1.00 0.00 O ATOM 307 CB ARG A 23 -15.865 -3.317 -10.662 1.00 0.00 C ATOM 308 CG ARG A 23 -15.125 -3.841 -11.893 1.00 0.00 C ATOM 309 CD ARG A 23 -13.854 -3.045 -12.186 1.00 0.00 C ATOM 310 NE ARG A 23 -13.221 -3.472 -13.437 1.00 0.00 N ATOM 311 CZ ARG A 23 -12.184 -2.857 -14.013 1.00 0.00 C ATOM 312 NH1 ARG A 23 -11.622 -1.799 -13.438 1.00 0.00 N ATOM 313 NH2 ARG A 23 -11.703 -3.311 -15.164 1.00 0.00 N ATOM 0 H ARG A 23 -17.342 -3.747 -8.320 1.00 0.00 H new ATOM 0 HA ARG A 23 -17.886 -3.792 -11.235 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -16.031 -2.246 -10.780 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.229 -3.447 -9.786 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.868 -4.889 -11.741 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.786 -3.797 -12.758 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.095 -1.984 -12.244 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.151 -3.167 -11.362 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.599 -4.298 -13.901 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.982 -1.450 -12.550 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.831 -1.336 -13.885 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.125 -4.127 -15.607 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.911 -2.843 -15.606 1.00 0.00 H new ATOM 327 N SER A 24 -17.280 -6.199 -11.427 1.00 0.00 N ATOM 328 CA SER A 24 -17.106 -7.644 -11.513 1.00 0.00 C ATOM 329 C SER A 24 -15.641 -7.987 -11.796 1.00 0.00 C ATOM 330 O SER A 24 -14.976 -7.302 -12.575 1.00 0.00 O ATOM 331 CB SER A 24 -18.008 -8.208 -12.616 1.00 0.00 C ATOM 332 OG SER A 24 -19.356 -7.817 -12.417 1.00 0.00 O ATOM 0 H SER A 24 -17.611 -5.768 -12.290 1.00 0.00 H new ATOM 0 HA SER A 24 -17.386 -8.093 -10.560 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.663 -7.857 -13.588 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.939 -9.296 -12.627 1.00 0.00 H new ATOM 0 HG SER A 24 -19.848 -7.899 -13.260 1.00 0.00 H new ATOM 338 N ALA A 25 -15.149 -9.046 -11.157 1.00 0.00 N ATOM 339 CA ALA A 25 -13.758 -9.475 -11.312 1.00 0.00 C ATOM 340 C ALA A 25 -13.456 -9.902 -12.751 1.00 0.00 C ATOM 341 O ALA A 25 -12.336 -9.735 -13.233 1.00 0.00 O ATOM 342 CB ALA A 25 -13.457 -10.611 -10.344 1.00 0.00 C ATOM 0 H ALA A 25 -15.696 -9.627 -10.522 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.114 -8.626 -11.082 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.420 -10.926 -10.464 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.616 -10.269 -9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.118 -11.452 -10.553 1.00 0.00 H new ATOM 348 N ALA A 26 -14.463 -10.474 -13.417 1.00 0.00 N ATOM 349 CA ALA A 26 -14.345 -10.906 -14.816 1.00 0.00 C ATOM 350 C ALA A 26 -13.287 -12.002 -14.993 1.00 0.00 C ATOM 351 O ALA A 26 -12.887 -12.312 -16.115 1.00 0.00 O ATOM 352 CB ALA A 26 -14.044 -9.711 -15.720 1.00 0.00 C ATOM 0 H ALA A 26 -15.379 -10.651 -13.006 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.303 -11.335 -15.108 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.960 -10.048 -16.753 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.851 -8.983 -15.641 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.106 -9.249 -15.412 1.00 0.00 H new ATOM 358 N SER A 27 -12.868 -12.606 -13.884 1.00 0.00 N ATOM 359 CA SER A 27 -11.866 -13.669 -13.901 1.00 0.00 C ATOM 360 C SER A 27 -11.946 -14.481 -12.605 1.00 0.00 C ATOM 361 O SER A 27 -12.177 -13.914 -11.532 1.00 0.00 O ATOM 362 CB SER A 27 -10.459 -13.075 -14.076 1.00 0.00 C ATOM 363 OG SER A 27 -9.459 -14.071 -13.937 1.00 0.00 O ATOM 0 H SER A 27 -13.211 -12.374 -12.952 1.00 0.00 H new ATOM 0 HA SER A 27 -12.067 -14.330 -14.744 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.378 -12.610 -15.058 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.299 -12.290 -13.337 1.00 0.00 H new ATOM 0 HG SER A 27 -8.575 -13.665 -14.055 1.00 0.00 H new ATOM 369 N PRO A 28 -11.762 -15.819 -12.683 1.00 0.00 N ATOM 370 CA PRO A 28 -11.832 -16.699 -11.509 1.00 0.00 C ATOM 371 C PRO A 28 -10.784 -16.328 -10.459 1.00 0.00 C ATOM 372 O PRO A 28 -11.097 -16.185 -9.274 1.00 0.00 O ATOM 373 CB PRO A 28 -11.569 -18.105 -12.082 1.00 0.00 C ATOM 374 CG PRO A 28 -10.907 -17.870 -13.401 1.00 0.00 C ATOM 375 CD PRO A 28 -11.469 -16.573 -13.918 1.00 0.00 C ATOM 0 HA PRO A 28 -12.790 -16.624 -10.995 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.930 -18.688 -11.419 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.498 -18.662 -12.201 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.824 -17.810 -13.290 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.112 -18.688 -14.092 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.754 -16.048 -14.551 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.367 -16.732 -14.516 1.00 0.00 H new ATOM 383 N GLU A 29 -9.542 -16.154 -10.907 1.00 0.00 N ATOM 384 CA GLU A 29 -8.451 -15.771 -10.017 1.00 0.00 C ATOM 385 C GLU A 29 -8.709 -14.386 -9.432 1.00 0.00 C ATOM 386 O GLU A 29 -8.512 -14.162 -8.236 1.00 0.00 O ATOM 387 CB GLU A 29 -7.110 -15.781 -10.762 1.00 0.00 C ATOM 388 CG GLU A 29 -7.106 -14.915 -12.016 1.00 0.00 C ATOM 389 CD GLU A 29 -5.719 -14.731 -12.608 1.00 0.00 C ATOM 390 OE1 GLU A 29 -5.310 -15.558 -13.450 1.00 0.00 O ATOM 391 OE2 GLU A 29 -5.037 -13.749 -12.238 1.00 0.00 O ATOM 0 H GLU A 29 -9.267 -16.273 -11.882 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.402 -16.498 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.326 -15.435 -10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.864 -16.807 -11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.757 -15.367 -12.764 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.525 -13.938 -11.777 1.00 0.00 H new ATOM 398 N ALA A 30 -9.171 -13.468 -10.287 1.00 0.00 N ATOM 399 CA ALA A 30 -9.434 -12.089 -9.881 1.00 0.00 C ATOM 400 C ALA A 30 -10.468 -12.040 -8.766 1.00 0.00 C ATOM 401 O ALA A 30 -10.397 -11.196 -7.870 1.00 0.00 O ATOM 402 CB ALA A 30 -9.885 -11.256 -11.074 1.00 0.00 C ATOM 0 H ALA A 30 -9.371 -13.659 -11.269 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.506 -11.664 -9.498 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.076 -10.232 -10.752 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.104 -11.257 -11.835 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.798 -11.682 -11.491 1.00 0.00 H new ATOM 408 N LEU A 31 -11.421 -12.958 -8.823 1.00 0.00 N ATOM 409 CA LEU A 31 -12.451 -13.063 -7.800 1.00 0.00 C ATOM 410 C LEU A 31 -11.863 -13.693 -6.537 1.00 0.00 C ATOM 411 O LEU A 31 -12.104 -13.221 -5.422 1.00 0.00 O ATOM 412 CB LEU A 31 -13.635 -13.890 -8.348 1.00 0.00 C ATOM 413 CG LEU A 31 -14.914 -13.940 -7.481 1.00 0.00 C ATOM 414 CD1 LEU A 31 -14.786 -14.941 -6.339 1.00 0.00 C ATOM 415 CD2 LEU A 31 -15.264 -12.550 -6.950 1.00 0.00 C ATOM 0 H LEU A 31 -11.503 -13.645 -9.572 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.820 -12.071 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.904 -13.491 -9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.291 -14.912 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.728 -14.280 -8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.706 -14.945 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.610 -15.937 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.950 -14.658 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.167 -12.609 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.441 -12.175 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.433 -11.873 -7.787 1.00 0.00 H new ATOM 427 N MET A 32 -11.059 -14.736 -6.727 1.00 0.00 N ATOM 428 CA MET A 32 -10.538 -15.525 -5.614 1.00 0.00 C ATOM 429 C MET A 32 -9.671 -14.685 -4.673 1.00 0.00 C ATOM 430 O MET A 32 -9.920 -14.646 -3.465 1.00 0.00 O ATOM 431 CB MET A 32 -9.731 -16.723 -6.146 1.00 0.00 C ATOM 432 CG MET A 32 -9.232 -17.673 -5.058 1.00 0.00 C ATOM 433 SD MET A 32 -7.980 -16.929 -3.991 1.00 0.00 S ATOM 434 CE MET A 32 -7.810 -18.190 -2.732 1.00 0.00 C ATOM 0 H MET A 32 -10.753 -15.056 -7.646 1.00 0.00 H new ATOM 0 HA MET A 32 -11.392 -15.886 -5.041 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.351 -17.283 -6.846 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.875 -16.350 -6.708 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.077 -17.994 -4.448 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.818 -18.567 -5.525 1.00 0.00 H new ATOM 0 HE1 MET A 32 -7.082 -17.866 -1.989 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.773 -18.354 -2.249 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.471 -19.119 -3.191 1.00 0.00 H new ATOM 444 N ARG A 33 -8.676 -13.980 -5.222 1.00 0.00 N ATOM 445 CA ARG A 33 -7.711 -13.268 -4.378 1.00 0.00 C ATOM 446 C ARG A 33 -8.347 -12.034 -3.743 1.00 0.00 C ATOM 447 O ARG A 33 -7.863 -11.529 -2.726 1.00 0.00 O ATOM 448 CB ARG A 33 -6.417 -12.900 -5.137 1.00 0.00 C ATOM 449 CG ARG A 33 -6.447 -11.597 -5.943 1.00 0.00 C ATOM 450 CD ARG A 33 -7.287 -11.698 -7.205 1.00 0.00 C ATOM 451 NE ARG A 33 -6.878 -10.714 -8.214 1.00 0.00 N ATOM 452 CZ ARG A 33 -6.241 -11.026 -9.349 1.00 0.00 C ATOM 453 NH1 ARG A 33 -5.918 -12.289 -9.614 1.00 0.00 N ATOM 454 NH2 ARG A 33 -5.927 -10.074 -10.214 1.00 0.00 N ATOM 0 H ARG A 33 -8.519 -13.888 -6.226 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.421 -13.954 -3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.604 -12.836 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.176 -13.717 -5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.839 -10.797 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.428 -11.320 -6.213 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.199 -12.702 -7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.337 -11.547 -6.955 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.092 -9.732 -8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.156 -13.026 -8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.433 -12.520 -10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.171 -9.104 -10.015 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.442 -10.311 -11.079 1.00 0.00 H new ATOM 468 N SER A 34 -9.423 -11.545 -4.350 1.00 0.00 N ATOM 469 CA SER A 34 -10.177 -10.437 -3.781 1.00 0.00 C ATOM 470 C SER A 34 -10.997 -10.923 -2.588 1.00 0.00 C ATOM 471 O SER A 34 -11.091 -10.236 -1.568 1.00 0.00 O ATOM 472 CB SER A 34 -11.074 -9.800 -4.844 1.00 0.00 C ATOM 473 OG SER A 34 -10.290 -9.283 -5.907 1.00 0.00 O ATOM 0 H SER A 34 -9.791 -11.898 -5.233 1.00 0.00 H new ATOM 0 HA SER A 34 -9.481 -9.675 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.776 -10.540 -5.228 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.666 -9.001 -4.398 1.00 0.00 H new ATOM 0 HG SER A 34 -10.398 -9.850 -6.699 1.00 0.00 H new ATOM 479 N ARG A 35 -11.564 -12.126 -2.710 1.00 0.00 N ATOM 480 CA ARG A 35 -12.301 -12.740 -1.609 1.00 0.00 C ATOM 481 C ARG A 35 -11.354 -13.047 -0.452 1.00 0.00 C ATOM 482 O ARG A 35 -11.690 -12.834 0.712 1.00 0.00 O ATOM 483 CB ARG A 35 -13.017 -14.026 -2.053 1.00 0.00 C ATOM 484 CG ARG A 35 -14.132 -13.812 -3.073 1.00 0.00 C ATOM 485 CD ARG A 35 -15.294 -14.777 -2.851 1.00 0.00 C ATOM 486 NE ARG A 35 -14.849 -16.134 -2.521 1.00 0.00 N ATOM 487 CZ ARG A 35 -15.648 -17.076 -2.017 1.00 0.00 C ATOM 488 NH1 ARG A 35 -16.952 -16.849 -1.885 1.00 0.00 N ATOM 489 NH2 ARG A 35 -15.137 -18.247 -1.658 1.00 0.00 N ATOM 0 H ARG A 35 -11.526 -12.691 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.060 -12.030 -1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.280 -14.708 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.436 -14.515 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.494 -12.786 -3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.735 -13.946 -4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.925 -14.400 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.910 -14.810 -3.750 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.871 -16.372 -2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.345 -15.952 -2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.559 -17.572 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.138 -18.423 -1.768 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.743 -18.971 -1.272 1.00 0.00 H new ATOM 503 N TYR A 36 -10.165 -13.543 -0.789 1.00 0.00 N ATOM 504 CA TYR A 36 -9.131 -13.824 0.206 1.00 0.00 C ATOM 505 C TYR A 36 -8.888 -12.603 1.096 1.00 0.00 C ATOM 506 O TYR A 36 -8.743 -12.724 2.313 1.00 0.00 O ATOM 507 CB TYR A 36 -7.827 -14.243 -0.490 1.00 0.00 C ATOM 508 CG TYR A 36 -6.612 -14.221 0.420 1.00 0.00 C ATOM 509 CD1 TYR A 36 -6.372 -15.245 1.330 1.00 0.00 C ATOM 510 CD2 TYR A 36 -5.710 -13.164 0.372 1.00 0.00 C ATOM 511 CE1 TYR A 36 -5.268 -15.214 2.163 1.00 0.00 C ATOM 512 CE2 TYR A 36 -4.606 -13.128 1.197 1.00 0.00 C ATOM 513 CZ TYR A 36 -4.389 -14.154 2.091 1.00 0.00 C ATOM 514 OH TYR A 36 -3.291 -14.118 2.919 1.00 0.00 O ATOM 0 H TYR A 36 -9.893 -13.759 -1.748 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.474 -14.644 0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.949 -15.248 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.648 -13.579 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.058 -16.077 1.387 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.877 -12.356 -0.325 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.095 -16.016 2.866 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.915 -12.300 1.143 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.773 -13.305 2.741 1.00 0.00 H new ATOM 524 N ALA A 37 -8.855 -11.426 0.476 1.00 0.00 N ATOM 525 CA ALA A 37 -8.636 -10.182 1.206 1.00 0.00 C ATOM 526 C ALA A 37 -9.807 -9.897 2.140 1.00 0.00 C ATOM 527 O ALA A 37 -9.618 -9.435 3.264 1.00 0.00 O ATOM 528 CB ALA A 37 -8.428 -9.024 0.237 1.00 0.00 C ATOM 0 H ALA A 37 -8.977 -11.309 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.735 -10.290 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.266 -8.104 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.558 -9.225 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.311 -8.914 -0.393 1.00 0.00 H new ATOM 534 N ALA A 38 -11.015 -10.196 1.668 1.00 0.00 N ATOM 535 CA ALA A 38 -12.223 -9.987 2.459 1.00 0.00 C ATOM 536 C ALA A 38 -12.206 -10.859 3.713 1.00 0.00 C ATOM 537 O ALA A 38 -12.694 -10.450 4.764 1.00 0.00 O ATOM 538 CB ALA A 38 -13.462 -10.265 1.618 1.00 0.00 C ATOM 0 H ALA A 38 -11.182 -10.584 0.740 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.253 -8.945 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.355 -10.105 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.478 -9.592 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.441 -11.297 1.269 1.00 0.00 H new ATOM 544 N TYR A 39 -11.633 -12.059 3.598 1.00 0.00 N ATOM 545 CA TYR A 39 -11.451 -12.939 4.756 1.00 0.00 C ATOM 546 C TYR A 39 -10.586 -12.253 5.813 1.00 0.00 C ATOM 547 O TYR A 39 -10.911 -12.258 7.001 1.00 0.00 O ATOM 548 CB TYR A 39 -10.815 -14.280 4.339 1.00 0.00 C ATOM 549 CG TYR A 39 -11.823 -15.358 3.982 1.00 0.00 C ATOM 550 CD1 TYR A 39 -12.521 -15.320 2.783 1.00 0.00 C ATOM 551 CD2 TYR A 39 -12.081 -16.413 4.854 1.00 0.00 C ATOM 552 CE1 TYR A 39 -13.445 -16.297 2.462 1.00 0.00 C ATOM 553 CE2 TYR A 39 -13.003 -17.394 4.538 1.00 0.00 C ATOM 554 CZ TYR A 39 -13.683 -17.331 3.341 1.00 0.00 C ATOM 555 OH TYR A 39 -14.605 -18.305 3.020 1.00 0.00 O ATOM 0 H TYR A 39 -11.288 -12.443 2.718 1.00 0.00 H new ATOM 0 HA TYR A 39 -12.434 -13.145 5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.162 -14.110 3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -10.186 -14.641 5.153 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -12.339 -14.513 2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -11.551 -16.466 5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -13.979 -16.250 1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -13.189 -18.206 5.226 1.00 0.00 H new ATOM 0 HH TYR A 39 -14.823 -18.825 3.821 1.00 0.00 H new ATOM 565 N ALA A 40 -9.491 -11.645 5.364 1.00 0.00 N ATOM 566 CA ALA A 40 -8.574 -10.939 6.257 1.00 0.00 C ATOM 567 C ALA A 40 -9.231 -9.679 6.828 1.00 0.00 C ATOM 568 O ALA A 40 -8.867 -9.205 7.908 1.00 0.00 O ATOM 569 CB ALA A 40 -7.284 -10.590 5.520 1.00 0.00 C ATOM 0 H ALA A 40 -9.216 -11.627 4.382 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.330 -11.597 7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.610 -10.064 6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.806 -11.505 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.514 -9.951 4.667 1.00 0.00 H new ATOM 575 N LEU A 41 -10.203 -9.146 6.093 1.00 0.00 N ATOM 576 CA LEU A 41 -10.943 -7.954 6.515 1.00 0.00 C ATOM 577 C LEU A 41 -12.292 -8.345 7.123 1.00 0.00 C ATOM 578 O LEU A 41 -13.179 -7.504 7.276 1.00 0.00 O ATOM 579 CB LEU A 41 -11.154 -7.018 5.316 1.00 0.00 C ATOM 580 CG LEU A 41 -9.865 -6.514 4.642 1.00 0.00 C ATOM 581 CD1 LEU A 41 -10.192 -5.622 3.448 1.00 0.00 C ATOM 582 CD2 LEU A 41 -8.979 -5.774 5.644 1.00 0.00 C ATOM 0 H LEU A 41 -10.501 -9.523 5.193 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.361 -7.433 7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.755 -7.539 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.733 -6.156 5.646 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.313 -7.381 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.266 -5.277 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.772 -6.188 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.772 -4.762 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.075 -5.428 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.521 -4.918 6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.709 -6.447 6.457 1.00 0.00 H new ATOM 594 N LYS A 42 -12.416 -9.630 7.476 1.00 0.00 N ATOM 595 CA LYS A 42 -13.646 -10.231 8.028 1.00 0.00 C ATOM 596 C LYS A 42 -14.924 -9.785 7.302 1.00 0.00 C ATOM 597 O LYS A 42 -16.018 -9.865 7.864 1.00 0.00 O ATOM 598 CB LYS A 42 -13.789 -10.018 9.554 1.00 0.00 C ATOM 599 CG LYS A 42 -13.837 -8.567 10.020 1.00 0.00 C ATOM 600 CD LYS A 42 -12.459 -8.052 10.420 1.00 0.00 C ATOM 601 CE LYS A 42 -12.496 -6.567 10.724 1.00 0.00 C ATOM 602 NZ LYS A 42 -11.194 -6.070 11.244 1.00 0.00 N ATOM 0 H LYS A 42 -11.651 -10.299 7.386 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.529 -11.300 7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.699 -10.517 9.888 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.954 -10.512 10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.240 -7.943 9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.517 -8.480 10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.104 -8.596 11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.749 -8.244 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.758 -6.019 9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.279 -6.367 11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.264 -5.051 11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.955 -6.574 12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.451 -6.237 10.536 1.00 0.00 H new ATOM 616 N ASP A 43 -14.799 -9.357 6.046 1.00 0.00 N ATOM 617 CA ASP A 43 -15.973 -9.034 5.234 1.00 0.00 C ATOM 618 C ASP A 43 -16.485 -10.317 4.586 1.00 0.00 C ATOM 619 O ASP A 43 -16.396 -10.507 3.368 1.00 0.00 O ATOM 620 CB ASP A 43 -15.657 -7.970 4.161 1.00 0.00 C ATOM 621 CG ASP A 43 -16.908 -7.376 3.496 1.00 0.00 C ATOM 622 OD1 ASP A 43 -17.993 -8.007 3.534 1.00 0.00 O ATOM 623 OD2 ASP A 43 -16.811 -6.261 2.929 1.00 0.00 O ATOM 0 H ASP A 43 -13.906 -9.227 5.572 1.00 0.00 H new ATOM 0 HA ASP A 43 -16.741 -8.608 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.082 -7.165 4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -15.025 -8.417 3.393 1.00 0.00 H new ATOM 628 N PHE A 44 -16.986 -11.218 5.425 1.00 0.00 N ATOM 629 CA PHE A 44 -17.495 -12.501 4.960 1.00 0.00 C ATOM 630 C PHE A 44 -18.804 -12.320 4.197 1.00 0.00 C ATOM 631 O PHE A 44 -19.240 -13.217 3.473 1.00 0.00 O ATOM 632 CB PHE A 44 -17.664 -13.485 6.131 1.00 0.00 C ATOM 633 CG PHE A 44 -18.420 -12.934 7.318 1.00 0.00 C ATOM 634 CD1 PHE A 44 -19.807 -12.952 7.350 1.00 0.00 C ATOM 635 CD2 PHE A 44 -17.737 -12.408 8.407 1.00 0.00 C ATOM 636 CE1 PHE A 44 -20.494 -12.456 8.441 1.00 0.00 C ATOM 637 CE2 PHE A 44 -18.421 -11.909 9.499 1.00 0.00 C ATOM 638 CZ PHE A 44 -19.801 -11.933 9.516 1.00 0.00 C ATOM 0 H PHE A 44 -17.050 -11.081 6.434 1.00 0.00 H new ATOM 0 HA PHE A 44 -16.763 -12.927 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.182 -14.373 5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.677 -13.805 6.464 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -20.355 -13.358 6.513 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.657 -12.389 8.400 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -21.574 -12.477 8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.877 -11.501 10.338 1.00 0.00 H new ATOM 0 HZ PHE A 44 -20.338 -11.544 10.368 1.00 0.00 H new ATOM 648 N ASP A 45 -19.414 -11.147 4.354 1.00 0.00 N ATOM 649 CA ASP A 45 -20.619 -10.798 3.607 1.00 0.00 C ATOM 650 C ASP A 45 -20.321 -10.830 2.111 1.00 0.00 C ATOM 651 O ASP A 45 -21.045 -11.466 1.339 1.00 0.00 O ATOM 652 CB ASP A 45 -21.128 -9.410 4.025 1.00 0.00 C ATOM 653 CG ASP A 45 -22.376 -8.974 3.269 1.00 0.00 C ATOM 654 OD1 ASP A 45 -23.437 -9.615 3.438 1.00 0.00 O ATOM 655 OD2 ASP A 45 -22.310 -7.973 2.526 1.00 0.00 O ATOM 0 H ASP A 45 -19.092 -10.421 4.994 1.00 0.00 H new ATOM 0 HA ASP A 45 -21.399 -11.526 3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -21.342 -9.416 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -20.338 -8.677 3.862 1.00 0.00 H new ATOM 660 N TYR A 46 -19.226 -10.170 1.719 1.00 0.00 N ATOM 661 CA TYR A 46 -18.781 -10.164 0.324 1.00 0.00 C ATOM 662 C TYR A 46 -18.549 -11.587 -0.170 1.00 0.00 C ATOM 663 O TYR A 46 -18.918 -11.937 -1.294 1.00 0.00 O ATOM 664 CB TYR A 46 -17.491 -9.337 0.167 1.00 0.00 C ATOM 665 CG TYR A 46 -16.844 -9.465 -1.203 1.00 0.00 C ATOM 666 CD1 TYR A 46 -17.420 -8.886 -2.329 1.00 0.00 C ATOM 667 CD2 TYR A 46 -15.657 -10.175 -1.367 1.00 0.00 C ATOM 668 CE1 TYR A 46 -16.833 -9.012 -3.575 1.00 0.00 C ATOM 669 CE2 TYR A 46 -15.066 -10.300 -2.608 1.00 0.00 C ATOM 670 CZ TYR A 46 -15.657 -9.719 -3.708 1.00 0.00 C ATOM 671 OH TYR A 46 -15.070 -9.850 -4.946 1.00 0.00 O ATOM 0 H TYR A 46 -18.632 -9.633 2.350 1.00 0.00 H new ATOM 0 HA TYR A 46 -19.565 -9.706 -0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -17.718 -8.288 0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -16.775 -9.649 0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -18.340 -8.329 -2.229 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -15.191 -10.636 -0.508 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -17.294 -8.558 -4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.144 -10.851 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.247 -10.376 -4.864 1.00 0.00 H new ATOM 681 N ILE A 47 -17.937 -12.399 0.685 1.00 0.00 N ATOM 682 CA ILE A 47 -17.621 -13.784 0.356 1.00 0.00 C ATOM 683 C ILE A 47 -18.868 -14.534 -0.083 1.00 0.00 C ATOM 684 O ILE A 47 -18.933 -15.057 -1.197 1.00 0.00 O ATOM 685 CB ILE A 47 -16.993 -14.516 1.566 1.00 0.00 C ATOM 686 CG1 ILE A 47 -15.748 -13.762 2.050 1.00 0.00 C ATOM 687 CG2 ILE A 47 -16.658 -15.966 1.216 1.00 0.00 C ATOM 688 CD1 ILE A 47 -14.730 -13.507 0.962 1.00 0.00 C ATOM 0 H ILE A 47 -17.647 -12.117 1.622 1.00 0.00 H new ATOM 0 HA ILE A 47 -16.902 -13.765 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 47 -17.721 -14.535 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -16.056 -12.808 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -15.276 -14.333 2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.218 -16.457 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -17.569 -16.490 0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.948 -15.986 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.878 -12.970 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.393 -14.458 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.184 -12.909 0.172 1.00 0.00 H new ATOM 700 N VAL A 48 -19.849 -14.569 0.805 1.00 0.00 N ATOM 701 CA VAL A 48 -21.116 -15.247 0.553 1.00 0.00 C ATOM 702 C VAL A 48 -21.748 -14.769 -0.756 1.00 0.00 C ATOM 703 O VAL A 48 -22.173 -15.580 -1.582 1.00 0.00 O ATOM 704 CB VAL A 48 -22.099 -15.011 1.724 1.00 0.00 C ATOM 705 CG1 VAL A 48 -23.435 -15.708 1.482 1.00 0.00 C ATOM 706 CG2 VAL A 48 -21.475 -15.474 3.036 1.00 0.00 C ATOM 0 H VAL A 48 -19.791 -14.128 1.723 1.00 0.00 H new ATOM 0 HA VAL A 48 -20.909 -16.314 0.468 1.00 0.00 H new ATOM 0 HB VAL A 48 -22.297 -13.941 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -24.101 -15.521 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -23.887 -15.321 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -23.272 -16.781 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -22.176 -15.303 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -21.243 -16.537 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -20.559 -14.913 3.221 1.00 0.00 H new ATOM 716 N GLU A 49 -21.774 -13.452 -0.948 1.00 0.00 N ATOM 717 CA GLU A 49 -22.378 -12.850 -2.137 1.00 0.00 C ATOM 718 C GLU A 49 -21.730 -13.372 -3.417 1.00 0.00 C ATOM 719 O GLU A 49 -22.416 -13.644 -4.404 1.00 0.00 O ATOM 720 CB GLU A 49 -22.255 -11.325 -2.084 1.00 0.00 C ATOM 721 CG GLU A 49 -22.982 -10.698 -0.903 1.00 0.00 C ATOM 722 CD GLU A 49 -22.788 -9.196 -0.824 1.00 0.00 C ATOM 723 OE1 GLU A 49 -21.694 -8.754 -0.423 1.00 0.00 O ATOM 724 OE2 GLU A 49 -23.736 -8.448 -1.148 1.00 0.00 O ATOM 0 H GLU A 49 -21.382 -12.777 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 49 -23.432 -13.129 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -21.200 -11.055 -2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -22.650 -10.904 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -24.047 -10.919 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -22.627 -11.155 0.021 1.00 0.00 H new ATOM 731 N THR A 50 -20.409 -13.517 -3.390 1.00 0.00 N ATOM 732 CA THR A 50 -19.652 -13.961 -4.557 1.00 0.00 C ATOM 733 C THR A 50 -19.424 -15.474 -4.533 1.00 0.00 C ATOM 734 O THR A 50 -18.506 -15.992 -5.174 1.00 0.00 O ATOM 735 CB THR A 50 -18.301 -13.215 -4.644 1.00 0.00 C ATOM 736 OG1 THR A 50 -17.676 -13.181 -3.354 1.00 0.00 O ATOM 737 CG2 THR A 50 -18.496 -11.792 -5.159 1.00 0.00 C ATOM 0 H THR A 50 -19.836 -13.332 -2.566 1.00 0.00 H new ATOM 0 HA THR A 50 -20.241 -13.725 -5.443 1.00 0.00 H new ATOM 0 HB THR A 50 -17.660 -13.751 -5.344 1.00 0.00 H new ATOM 0 HG1 THR A 50 -18.175 -12.578 -2.764 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.531 -11.288 -5.211 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.943 -11.823 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 50 -19.154 -11.247 -4.482 1.00 0.00 H new ATOM 745 N THR A 51 -20.270 -16.181 -3.792 1.00 0.00 N ATOM 746 CA THR A 51 -20.253 -17.636 -3.786 1.00 0.00 C ATOM 747 C THR A 51 -21.364 -18.172 -4.688 1.00 0.00 C ATOM 748 O THR A 51 -22.393 -17.514 -4.869 1.00 0.00 O ATOM 749 CB THR A 51 -20.426 -18.199 -2.357 1.00 0.00 C ATOM 750 OG1 THR A 51 -19.409 -17.662 -1.504 1.00 0.00 O ATOM 751 CG2 THR A 51 -20.344 -19.723 -2.344 1.00 0.00 C ATOM 0 H THR A 51 -20.978 -15.766 -3.186 1.00 0.00 H new ATOM 0 HA THR A 51 -19.283 -17.961 -4.162 1.00 0.00 H new ATOM 0 HB THR A 51 -21.412 -17.907 -1.996 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.220 -18.296 -0.781 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.470 -20.085 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 51 -21.131 -20.135 -2.975 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.372 -20.038 -2.724 1.00 0.00 H new ATOM 759 N ASP A 52 -21.131 -19.355 -5.252 1.00 0.00 N ATOM 760 CA ASP A 52 -22.081 -20.025 -6.143 1.00 0.00 C ATOM 761 C ASP A 52 -23.489 -20.013 -5.549 1.00 0.00 C ATOM 762 O ASP A 52 -23.648 -20.227 -4.350 1.00 0.00 O ATOM 763 CB ASP A 52 -21.637 -21.477 -6.358 1.00 0.00 C ATOM 764 CG ASP A 52 -22.376 -22.168 -7.488 1.00 0.00 C ATOM 765 OD1 ASP A 52 -23.456 -22.741 -7.236 1.00 0.00 O ATOM 766 OD2 ASP A 52 -21.871 -22.155 -8.627 1.00 0.00 O ATOM 0 H ASP A 52 -20.270 -19.882 -5.103 1.00 0.00 H new ATOM 0 HA ASP A 52 -22.100 -19.491 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -20.567 -21.496 -6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -21.791 -22.037 -5.436 1.00 0.00 H new ATOM 771 N PRO A 53 -24.527 -19.771 -6.375 1.00 0.00 N ATOM 772 CA PRO A 53 -25.922 -19.740 -5.915 1.00 0.00 C ATOM 773 C PRO A 53 -26.288 -20.976 -5.086 1.00 0.00 C ATOM 774 O PRO A 53 -27.031 -20.879 -4.106 1.00 0.00 O ATOM 775 CB PRO A 53 -26.744 -19.688 -7.221 1.00 0.00 C ATOM 776 CG PRO A 53 -25.768 -19.960 -8.323 1.00 0.00 C ATOM 777 CD PRO A 53 -24.432 -19.500 -7.817 1.00 0.00 C ATOM 0 HA PRO A 53 -26.112 -18.893 -5.256 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -27.542 -20.431 -7.212 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -27.217 -18.714 -7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -25.747 -21.021 -8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -26.046 -19.425 -9.231 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.612 -20.049 -8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -24.263 -18.443 -8.021 1.00 0.00 H new ATOM 785 N GLU A 54 -25.746 -22.129 -5.476 1.00 0.00 N ATOM 786 CA GLU A 54 -26.002 -23.381 -4.768 1.00 0.00 C ATOM 787 C GLU A 54 -25.237 -23.418 -3.445 1.00 0.00 C ATOM 788 O GLU A 54 -25.793 -23.763 -2.400 1.00 0.00 O ATOM 789 CB GLU A 54 -25.597 -24.581 -5.638 1.00 0.00 C ATOM 790 CG GLU A 54 -26.340 -24.663 -6.968 1.00 0.00 C ATOM 791 CD GLU A 54 -25.883 -25.834 -7.825 1.00 0.00 C ATOM 792 OE1 GLU A 54 -26.176 -26.995 -7.463 1.00 0.00 O ATOM 793 OE2 GLU A 54 -25.221 -25.606 -8.862 1.00 0.00 O ATOM 0 H GLU A 54 -25.126 -22.221 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 54 -27.070 -23.440 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.526 -24.529 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -25.774 -25.499 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -27.409 -24.753 -6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -26.192 -23.735 -7.520 1.00 0.00 H new ATOM 800 N ARG A 55 -23.962 -23.040 -3.495 1.00 0.00 N ATOM 801 CA ARG A 55 -23.083 -23.126 -2.328 1.00 0.00 C ATOM 802 C ARG A 55 -23.393 -22.026 -1.318 1.00 0.00 C ATOM 803 O ARG A 55 -23.127 -22.170 -0.127 1.00 0.00 O ATOM 804 CB ARG A 55 -21.616 -23.017 -2.752 1.00 0.00 C ATOM 805 CG ARG A 55 -21.197 -24.002 -3.832 1.00 0.00 C ATOM 806 CD ARG A 55 -21.416 -25.451 -3.418 1.00 0.00 C ATOM 807 NE ARG A 55 -20.788 -26.383 -4.359 1.00 0.00 N ATOM 808 CZ ARG A 55 -21.189 -27.641 -4.560 1.00 0.00 C ATOM 809 NH1 ARG A 55 -22.264 -28.114 -3.941 1.00 0.00 N ATOM 810 NH2 ARG A 55 -20.525 -28.422 -5.402 1.00 0.00 N ATOM 0 H ARG A 55 -23.512 -22.670 -4.332 1.00 0.00 H new ATOM 0 HA ARG A 55 -23.259 -24.094 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -21.428 -22.004 -3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -20.985 -23.168 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -21.760 -23.799 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -20.144 -23.850 -4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -21.007 -25.610 -2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -22.485 -25.656 -3.361 1.00 0.00 H new ATOM 0 HE ARG A 55 -19.989 -26.048 -4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -22.791 -27.515 -3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -22.563 -29.076 -4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.708 -28.062 -5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -20.831 -29.383 -5.556 1.00 0.00 H new ATOM 824 N ARG A 56 -23.959 -20.931 -1.806 1.00 0.00 N ATOM 825 CA ARG A 56 -24.242 -19.764 -0.977 1.00 0.00 C ATOM 826 C ARG A 56 -25.237 -20.116 0.127 1.00 0.00 C ATOM 827 O ARG A 56 -25.188 -19.561 1.225 1.00 0.00 O ATOM 828 CB ARG A 56 -24.768 -18.623 -1.857 1.00 0.00 C ATOM 829 CG ARG A 56 -25.040 -17.326 -1.102 1.00 0.00 C ATOM 830 CD ARG A 56 -25.183 -16.141 -2.050 1.00 0.00 C ATOM 831 NE ARG A 56 -26.266 -16.328 -3.020 1.00 0.00 N ATOM 832 CZ ARG A 56 -26.099 -16.311 -4.347 1.00 0.00 C ATOM 833 NH1 ARG A 56 -24.885 -16.196 -4.873 1.00 0.00 N ATOM 834 NH2 ARG A 56 -27.145 -16.436 -5.152 1.00 0.00 N ATOM 0 H ARG A 56 -24.234 -20.825 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 56 -23.321 -19.435 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -24.044 -18.425 -2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -25.688 -18.948 -2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -25.951 -17.432 -0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -24.227 -17.135 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -25.370 -15.237 -1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -24.244 -15.990 -2.583 1.00 0.00 H new ATOM 0 HE ARG A 56 -27.208 -16.481 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -24.070 -16.120 -4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -24.767 -16.184 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -28.080 -16.545 -4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -27.015 -16.423 -6.164 1.00 0.00 H new ATOM 848 N ASP A 57 -26.115 -21.069 -0.169 1.00 0.00 N ATOM 849 CA ASP A 57 -27.101 -21.545 0.800 1.00 0.00 C ATOM 850 C ASP A 57 -26.420 -22.336 1.919 1.00 0.00 C ATOM 851 O ASP A 57 -26.947 -22.446 3.026 1.00 0.00 O ATOM 852 CB ASP A 57 -28.146 -22.422 0.094 1.00 0.00 C ATOM 853 CG ASP A 57 -29.195 -22.981 1.048 1.00 0.00 C ATOM 854 OD1 ASP A 57 -30.166 -22.260 1.364 1.00 0.00 O ATOM 855 OD2 ASP A 57 -29.065 -24.153 1.466 1.00 0.00 O ATOM 0 H ASP A 57 -26.165 -21.530 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 57 -27.598 -20.682 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -28.642 -21.836 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -27.641 -23.248 -0.407 1.00 0.00 H new ATOM 860 N LEU A 58 -25.235 -22.862 1.621 1.00 0.00 N ATOM 861 CA LEU A 58 -24.498 -23.712 2.558 1.00 0.00 C ATOM 862 C LEU A 58 -23.636 -22.876 3.508 1.00 0.00 C ATOM 863 O LEU A 58 -23.147 -23.380 4.521 1.00 0.00 O ATOM 864 CB LEU A 58 -23.608 -24.693 1.779 1.00 0.00 C ATOM 865 CG LEU A 58 -24.328 -25.537 0.714 1.00 0.00 C ATOM 866 CD1 LEU A 58 -23.330 -26.400 -0.057 1.00 0.00 C ATOM 867 CD2 LEU A 58 -25.419 -26.401 1.348 1.00 0.00 C ATOM 0 H LEU A 58 -24.760 -22.714 0.731 1.00 0.00 H new ATOM 0 HA LEU A 58 -25.223 -24.266 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.813 -24.128 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -23.131 -25.367 2.490 1.00 0.00 H new ATOM 0 HG LEU A 58 -24.805 -24.857 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -23.860 -26.989 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -22.600 -25.759 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -22.817 -27.069 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -25.913 -26.988 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -24.972 -27.071 2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -26.151 -25.760 1.840 1.00 0.00 H new ATOM 879 N PHE A 59 -23.448 -21.603 3.170 1.00 0.00 N ATOM 880 CA PHE A 59 -22.595 -20.709 3.957 1.00 0.00 C ATOM 881 C PHE A 59 -23.320 -20.196 5.200 1.00 0.00 C ATOM 882 O PHE A 59 -24.550 -20.092 5.218 1.00 0.00 O ATOM 883 CB PHE A 59 -22.114 -19.530 3.093 1.00 0.00 C ATOM 884 CG PHE A 59 -20.914 -19.851 2.230 1.00 0.00 C ATOM 885 CD1 PHE A 59 -20.710 -21.133 1.732 1.00 0.00 C ATOM 886 CD2 PHE A 59 -19.983 -18.866 1.925 1.00 0.00 C ATOM 887 CE1 PHE A 59 -19.605 -21.423 0.953 1.00 0.00 C ATOM 888 CE2 PHE A 59 -18.879 -19.152 1.145 1.00 0.00 C ATOM 889 CZ PHE A 59 -18.688 -20.432 0.660 1.00 0.00 C ATOM 0 H PHE A 59 -23.875 -21.164 2.354 1.00 0.00 H new ATOM 0 HA PHE A 59 -21.729 -21.281 4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -22.933 -19.204 2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -21.867 -18.692 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -21.424 -21.912 1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -20.124 -17.864 2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -19.459 -22.424 0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -18.165 -18.375 0.914 1.00 0.00 H new ATOM 0 HZ PHE A 59 -17.824 -20.657 0.053 1.00 0.00 H new ATOM 899 N ASP A 60 -22.543 -19.880 6.234 1.00 0.00 N ATOM 900 CA ASP A 60 -23.077 -19.353 7.490 1.00 0.00 C ATOM 901 C ASP A 60 -22.156 -18.260 8.028 1.00 0.00 C ATOM 902 O ASP A 60 -20.935 -18.371 7.918 1.00 0.00 O ATOM 903 CB ASP A 60 -23.226 -20.474 8.530 1.00 0.00 C ATOM 904 CG ASP A 60 -23.685 -19.955 9.887 1.00 0.00 C ATOM 905 OD1 ASP A 60 -24.912 -19.849 10.107 1.00 0.00 O ATOM 906 OD2 ASP A 60 -22.824 -19.635 10.735 1.00 0.00 O ATOM 0 H ASP A 60 -21.528 -19.981 6.226 1.00 0.00 H new ATOM 0 HA ASP A 60 -24.063 -18.930 7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -23.942 -21.210 8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.271 -20.987 8.645 1.00 0.00 H new ATOM 911 N HIS A 61 -22.747 -17.222 8.620 1.00 0.00 N ATOM 912 CA HIS A 61 -21.994 -16.059 9.106 1.00 0.00 C ATOM 913 C HIS A 61 -20.836 -16.472 10.019 1.00 0.00 C ATOM 914 O HIS A 61 -19.690 -16.061 9.814 1.00 0.00 O ATOM 915 CB HIS A 61 -22.922 -15.095 9.865 1.00 0.00 C ATOM 916 CG HIS A 61 -23.996 -14.471 9.021 1.00 0.00 C ATOM 917 ND1 HIS A 61 -25.340 -14.710 9.213 1.00 0.00 N ATOM 918 CD2 HIS A 61 -23.920 -13.589 7.996 1.00 0.00 C ATOM 919 CE1 HIS A 61 -26.040 -14.008 8.344 1.00 0.00 C ATOM 920 NE2 HIS A 61 -25.203 -13.317 7.593 1.00 0.00 N ATOM 0 H HIS A 61 -23.753 -17.160 8.777 1.00 0.00 H new ATOM 0 HA HIS A 61 -21.579 -15.557 8.232 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -23.391 -15.635 10.687 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -22.318 -14.302 10.307 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -23.016 -13.176 7.574 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -27.117 -14.000 8.261 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -25.467 -12.685 6.837 1.00 0.00 H new ATOM 929 N ASP A 62 -21.138 -17.301 11.012 1.00 0.00 N ATOM 930 CA ASP A 62 -20.158 -17.676 12.032 1.00 0.00 C ATOM 931 C ASP A 62 -19.121 -18.636 11.469 1.00 0.00 C ATOM 932 O ASP A 62 -17.933 -18.540 11.791 1.00 0.00 O ATOM 933 CB ASP A 62 -20.851 -18.309 13.241 1.00 0.00 C ATOM 934 CG ASP A 62 -21.765 -17.331 13.961 1.00 0.00 C ATOM 935 OD1 ASP A 62 -21.259 -16.499 14.743 1.00 0.00 O ATOM 936 OD2 ASP A 62 -22.997 -17.382 13.744 1.00 0.00 O ATOM 0 H ASP A 62 -22.056 -17.729 11.135 1.00 0.00 H new ATOM 0 HA ASP A 62 -19.650 -16.766 12.352 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.432 -19.171 12.913 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.097 -18.678 13.937 1.00 0.00 H new ATOM 941 N VAL A 63 -19.574 -19.563 10.633 1.00 0.00 N ATOM 942 CA VAL A 63 -18.680 -20.526 9.998 1.00 0.00 C ATOM 943 C VAL A 63 -17.682 -19.804 9.090 1.00 0.00 C ATOM 944 O VAL A 63 -16.497 -20.141 9.054 1.00 0.00 O ATOM 945 CB VAL A 63 -19.466 -21.582 9.182 1.00 0.00 C ATOM 946 CG1 VAL A 63 -18.516 -22.593 8.545 1.00 0.00 C ATOM 947 CG2 VAL A 63 -20.494 -22.288 10.067 1.00 0.00 C ATOM 0 H VAL A 63 -20.556 -19.669 10.378 1.00 0.00 H new ATOM 0 HA VAL A 63 -18.140 -21.046 10.789 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.998 -21.068 8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.091 -23.325 7.977 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -17.828 -22.075 7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.950 -23.102 9.325 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -21.037 -23.026 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.984 -22.786 10.891 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.196 -21.555 10.465 1.00 0.00 H new ATOM 957 N ASN A 64 -18.170 -18.786 8.386 1.00 0.00 N ATOM 958 CA ASN A 64 -17.323 -17.968 7.516 1.00 0.00 C ATOM 959 C ASN A 64 -16.254 -17.253 8.337 1.00 0.00 C ATOM 960 O ASN A 64 -15.120 -17.077 7.887 1.00 0.00 O ATOM 961 CB ASN A 64 -18.167 -16.948 6.736 1.00 0.00 C ATOM 962 CG ASN A 64 -19.063 -17.598 5.693 1.00 0.00 C ATOM 963 OD1 ASN A 64 -18.716 -18.621 5.106 1.00 0.00 O ATOM 964 ND2 ASN A 64 -20.228 -17.012 5.457 1.00 0.00 N ATOM 0 H ASN A 64 -19.151 -18.506 8.400 1.00 0.00 H new ATOM 0 HA ASN A 64 -16.833 -18.626 6.799 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -18.783 -16.382 7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -17.505 -16.235 6.245 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -20.869 -17.409 4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -20.484 -16.164 5.963 1.00 0.00 H new ATOM 971 N ARG A 65 -16.628 -16.847 9.547 1.00 0.00 N ATOM 972 CA ARG A 65 -15.696 -16.212 10.473 1.00 0.00 C ATOM 973 C ARG A 65 -14.726 -17.245 11.050 1.00 0.00 C ATOM 974 O ARG A 65 -13.548 -16.955 11.256 1.00 0.00 O ATOM 975 CB ARG A 65 -16.467 -15.514 11.605 1.00 0.00 C ATOM 976 CG ARG A 65 -15.566 -14.846 12.639 1.00 0.00 C ATOM 977 CD ARG A 65 -16.355 -14.252 13.801 1.00 0.00 C ATOM 978 NE ARG A 65 -17.188 -13.119 13.391 1.00 0.00 N ATOM 979 CZ ARG A 65 -16.906 -11.844 13.676 1.00 0.00 C ATOM 980 NH1 ARG A 65 -15.809 -11.541 14.359 1.00 0.00 N ATOM 981 NH2 ARG A 65 -17.721 -10.873 13.288 1.00 0.00 N ATOM 0 H ARG A 65 -17.576 -16.947 9.910 1.00 0.00 H new ATOM 0 HA ARG A 65 -15.120 -15.465 9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -17.128 -14.763 11.173 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -17.100 -16.246 12.106 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.854 -15.577 13.023 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.986 -14.059 12.157 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.987 -15.024 14.239 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -15.663 -13.928 14.578 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.034 -13.315 12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.179 -12.282 14.667 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -15.596 -10.567 14.575 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.570 -11.097 12.768 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.499 -9.902 13.509 1.00 0.00 H new ATOM 995 N ALA A 66 -15.228 -18.459 11.268 1.00 0.00 N ATOM 996 CA ALA A 66 -14.470 -19.521 11.936 1.00 0.00 C ATOM 997 C ALA A 66 -13.069 -19.695 11.346 1.00 0.00 C ATOM 998 O ALA A 66 -12.097 -19.870 12.085 1.00 0.00 O ATOM 999 CB ALA A 66 -15.241 -20.836 11.874 1.00 0.00 C ATOM 0 H ALA A 66 -16.169 -18.736 10.988 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.344 -19.224 12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.668 -21.617 12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -16.203 -20.717 12.372 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -15.403 -21.114 10.833 1.00 0.00 H new ATOM 1005 N TRP A 67 -12.967 -19.627 10.021 1.00 0.00 N ATOM 1006 CA TRP A 67 -11.688 -19.816 9.338 1.00 0.00 C ATOM 1007 C TRP A 67 -10.656 -18.768 9.768 1.00 0.00 C ATOM 1008 O TRP A 67 -9.530 -19.116 10.131 1.00 0.00 O ATOM 1009 CB TRP A 67 -11.877 -19.793 7.814 1.00 0.00 C ATOM 1010 CG TRP A 67 -12.604 -21.000 7.290 1.00 0.00 C ATOM 1011 CD1 TRP A 67 -12.206 -22.303 7.400 1.00 0.00 C ATOM 1012 CD2 TRP A 67 -13.842 -21.021 6.567 1.00 0.00 C ATOM 1013 NE1 TRP A 67 -13.122 -23.129 6.798 1.00 0.00 N ATOM 1014 CE2 TRP A 67 -14.134 -22.368 6.279 1.00 0.00 C ATOM 1015 CE3 TRP A 67 -14.734 -20.035 6.138 1.00 0.00 C ATOM 1016 CZ2 TRP A 67 -15.278 -22.751 5.584 1.00 0.00 C ATOM 1017 CZ3 TRP A 67 -15.868 -20.417 5.445 1.00 0.00 C ATOM 1018 CH2 TRP A 67 -16.132 -21.765 5.175 1.00 0.00 C ATOM 0 H TRP A 67 -13.754 -19.443 9.398 1.00 0.00 H new ATOM 0 HA TRP A 67 -11.305 -20.795 9.627 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.429 -18.895 7.536 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -10.901 -19.728 7.334 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -11.302 -22.634 7.889 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -13.059 -24.146 6.746 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -14.541 -18.993 6.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -15.483 -23.791 5.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -16.562 -19.662 5.106 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -17.028 -22.031 4.633 1.00 0.00 H new ATOM 1029 N MET A 68 -11.041 -17.491 9.756 1.00 0.00 N ATOM 1030 CA MET A 68 -10.106 -16.409 10.090 1.00 0.00 C ATOM 1031 C MET A 68 -9.733 -16.456 11.570 1.00 0.00 C ATOM 1032 O MET A 68 -8.653 -16.016 11.966 1.00 0.00 O ATOM 1033 CB MET A 68 -10.693 -15.028 9.747 1.00 0.00 C ATOM 1034 CG MET A 68 -11.810 -14.571 10.680 1.00 0.00 C ATOM 1035 SD MET A 68 -12.340 -12.875 10.366 1.00 0.00 S ATOM 1036 CE MET A 68 -10.804 -11.983 10.622 1.00 0.00 C ATOM 0 H MET A 68 -11.984 -17.180 9.521 1.00 0.00 H new ATOM 0 HA MET A 68 -9.209 -16.559 9.489 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.891 -14.290 9.770 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.075 -15.052 8.726 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.664 -15.239 10.570 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.471 -14.655 11.712 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.014 -11.028 11.104 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.142 -12.573 11.256 1.00 0.00 H new ATOM 0 HE3 MET A 68 -10.322 -11.805 9.661 1.00 0.00 H new ATOM 1046 N GLU A 69 -10.638 -17.000 12.378 1.00 0.00 N ATOM 1047 CA GLU A 69 -10.447 -17.084 13.824 1.00 0.00 C ATOM 1048 C GLU A 69 -9.269 -17.991 14.173 1.00 0.00 C ATOM 1049 O GLU A 69 -8.582 -17.779 15.173 1.00 0.00 O ATOM 1050 CB GLU A 69 -11.727 -17.618 14.479 1.00 0.00 C ATOM 1051 CG GLU A 69 -12.952 -16.752 14.219 1.00 0.00 C ATOM 1052 CD GLU A 69 -12.920 -15.442 14.984 1.00 0.00 C ATOM 1053 OE1 GLU A 69 -13.341 -15.431 16.160 1.00 0.00 O ATOM 1054 OE2 GLU A 69 -12.478 -14.422 14.416 1.00 0.00 O ATOM 0 H GLU A 69 -11.521 -17.394 12.052 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.228 -16.085 14.201 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.920 -18.626 14.111 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.569 -17.696 15.555 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.023 -16.542 13.152 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.849 -17.307 14.495 1.00 0.00 H new ATOM 1061 N GLU A 70 -9.044 -19.002 13.339 1.00 0.00 N ATOM 1062 CA GLU A 70 -8.001 -19.998 13.588 1.00 0.00 C ATOM 1063 C GLU A 70 -6.852 -19.872 12.590 1.00 0.00 C ATOM 1064 O GLU A 70 -5.745 -20.347 12.847 1.00 0.00 O ATOM 1065 CB GLU A 70 -8.610 -21.405 13.533 1.00 0.00 C ATOM 1066 CG GLU A 70 -9.396 -21.689 12.252 1.00 0.00 C ATOM 1067 CD GLU A 70 -10.240 -22.950 12.342 1.00 0.00 C ATOM 1068 OE1 GLU A 70 -10.785 -23.228 13.432 1.00 0.00 O ATOM 1069 OE2 GLU A 70 -10.386 -23.657 11.323 1.00 0.00 O ATOM 0 H GLU A 70 -9.572 -19.155 12.480 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.588 -19.820 14.581 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.811 -22.140 13.628 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.270 -21.539 14.390 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.043 -20.840 12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.700 -21.783 11.418 1.00 0.00 H new ATOM 1076 N SER A 71 -7.115 -19.225 11.459 1.00 0.00 N ATOM 1077 CA SER A 71 -6.116 -19.080 10.406 1.00 0.00 C ATOM 1078 C SER A 71 -5.892 -17.604 10.069 1.00 0.00 C ATOM 1079 O SER A 71 -6.700 -16.982 9.376 1.00 0.00 O ATOM 1080 CB SER A 71 -6.557 -19.859 9.160 1.00 0.00 C ATOM 1081 OG SER A 71 -6.855 -21.210 9.487 1.00 0.00 O ATOM 0 H SER A 71 -8.014 -18.792 11.248 1.00 0.00 H new ATOM 0 HA SER A 71 -5.170 -19.489 10.761 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.435 -19.385 8.721 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.768 -19.828 8.408 1.00 0.00 H new ATOM 0 HG SER A 71 -6.424 -21.444 10.335 1.00 0.00 H new ATOM 1087 N ASP A 72 -4.804 -17.049 10.595 1.00 0.00 N ATOM 1088 CA ASP A 72 -4.412 -15.669 10.314 1.00 0.00 C ATOM 1089 C ASP A 72 -3.816 -15.579 8.913 1.00 0.00 C ATOM 1090 O ASP A 72 -2.741 -16.104 8.666 1.00 0.00 O ATOM 1091 CB ASP A 72 -3.387 -15.196 11.360 1.00 0.00 C ATOM 1092 CG ASP A 72 -2.932 -13.758 11.153 1.00 0.00 C ATOM 1093 OD1 ASP A 72 -3.792 -12.879 10.936 1.00 0.00 O ATOM 1094 OD2 ASP A 72 -1.707 -13.502 11.223 1.00 0.00 O ATOM 0 H ASP A 72 -4.170 -17.540 11.226 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.290 -15.026 10.366 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.823 -15.292 12.354 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.517 -15.853 11.329 1.00 0.00 H new ATOM 1099 N PHE A 73 -4.518 -14.931 7.996 1.00 0.00 N ATOM 1100 CA PHE A 73 -4.104 -14.898 6.593 1.00 0.00 C ATOM 1101 C PHE A 73 -2.885 -13.991 6.389 1.00 0.00 C ATOM 1102 O PHE A 73 -2.966 -12.775 6.579 1.00 0.00 O ATOM 1103 CB PHE A 73 -5.277 -14.441 5.717 1.00 0.00 C ATOM 1104 CG PHE A 73 -6.484 -15.338 5.838 1.00 0.00 C ATOM 1105 CD1 PHE A 73 -6.540 -16.545 5.152 1.00 0.00 C ATOM 1106 CD2 PHE A 73 -7.555 -14.985 6.647 1.00 0.00 C ATOM 1107 CE1 PHE A 73 -7.638 -17.375 5.269 1.00 0.00 C ATOM 1108 CE2 PHE A 73 -8.653 -15.813 6.768 1.00 0.00 C ATOM 1109 CZ PHE A 73 -8.696 -17.009 6.078 1.00 0.00 C ATOM 0 H PHE A 73 -5.378 -14.419 8.194 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.811 -15.905 6.297 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.557 -13.425 5.994 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.956 -14.411 4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.715 -16.838 4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.529 -14.051 7.189 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.669 -18.309 4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.479 -15.526 7.402 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.555 -17.657 6.171 1.00 0.00 H new ATOM 1119 N LEU A 74 -1.756 -14.593 6.001 1.00 0.00 N ATOM 1120 CA LEU A 74 -0.512 -13.849 5.775 1.00 0.00 C ATOM 1121 C LEU A 74 -0.381 -13.431 4.311 1.00 0.00 C ATOM 1122 O LEU A 74 -0.332 -12.236 4.003 1.00 0.00 O ATOM 1123 CB LEU A 74 0.722 -14.678 6.197 1.00 0.00 C ATOM 1124 CG LEU A 74 1.102 -14.604 7.690 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -0.052 -15.037 8.581 1.00 0.00 C ATOM 1126 CD2 LEU A 74 2.339 -15.451 7.973 1.00 0.00 C ATOM 0 H LEU A 74 -1.678 -15.597 5.836 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.554 -12.952 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.541 -15.721 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.577 -14.348 5.607 1.00 0.00 H new ATOM 0 HG LEU A 74 1.330 -13.563 7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.251 -14.972 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.908 -14.384 8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.327 -16.065 8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.591 -15.385 9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.136 -16.490 7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.175 -15.084 7.378 1.00 0.00 H new ATOM 1138 N GLU A 75 -0.337 -14.411 3.411 1.00 0.00 N ATOM 1139 CA GLU A 75 -0.112 -14.139 1.992 1.00 0.00 C ATOM 1140 C GLU A 75 -0.838 -15.158 1.114 1.00 0.00 C ATOM 1141 O GLU A 75 -1.009 -16.317 1.494 1.00 0.00 O ATOM 1142 CB GLU A 75 1.394 -14.148 1.679 1.00 0.00 C ATOM 1143 CG GLU A 75 1.725 -13.832 0.221 1.00 0.00 C ATOM 1144 CD GLU A 75 3.221 -13.790 -0.051 1.00 0.00 C ATOM 1145 OE1 GLU A 75 3.830 -12.709 0.114 1.00 0.00 O ATOM 1146 OE2 GLU A 75 3.793 -14.832 -0.434 1.00 0.00 O ATOM 0 H GLU A 75 -0.454 -15.399 3.638 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.515 -13.151 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.893 -13.421 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.801 -15.127 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.265 -14.583 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.285 -12.871 -0.046 1.00 0.00 H new ATOM 1153 N LEU A 76 -1.257 -14.705 -0.063 1.00 0.00 N ATOM 1154 CA LEU A 76 -1.932 -15.550 -1.041 1.00 0.00 C ATOM 1155 C LEU A 76 -1.045 -15.680 -2.277 1.00 0.00 C ATOM 1156 O LEU A 76 -0.551 -14.678 -2.799 1.00 0.00 O ATOM 1157 CB LEU A 76 -3.304 -14.934 -1.387 1.00 0.00 C ATOM 1158 CG LEU A 76 -4.239 -15.750 -2.307 1.00 0.00 C ATOM 1159 CD1 LEU A 76 -3.844 -15.603 -3.772 1.00 0.00 C ATOM 1160 CD2 LEU A 76 -4.267 -17.221 -1.892 1.00 0.00 C ATOM 0 H LEU A 76 -1.138 -13.738 -0.366 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.105 -16.547 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.833 -14.744 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.130 -13.966 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.246 -15.348 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.522 -16.190 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.904 -14.554 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.824 -15.960 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.932 -17.774 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.262 -17.637 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.627 -17.303 -0.866 1.00 0.00 H new ATOM 1172 N ARG A 77 -0.853 -16.909 -2.741 1.00 0.00 N ATOM 1173 CA ARG A 77 0.066 -17.195 -3.832 1.00 0.00 C ATOM 1174 C ARG A 77 -0.606 -18.098 -4.862 1.00 0.00 C ATOM 1175 O ARG A 77 -0.806 -19.289 -4.626 1.00 0.00 O ATOM 1176 CB ARG A 77 1.339 -17.855 -3.281 1.00 0.00 C ATOM 1177 CG ARG A 77 2.343 -18.265 -4.354 1.00 0.00 C ATOM 1178 CD ARG A 77 3.618 -18.836 -3.743 1.00 0.00 C ATOM 1179 NE ARG A 77 4.589 -19.233 -4.766 1.00 0.00 N ATOM 1180 CZ ARG A 77 5.733 -19.868 -4.503 1.00 0.00 C ATOM 1181 NH1 ARG A 77 6.063 -20.164 -3.252 1.00 0.00 N ATOM 1182 NH2 ARG A 77 6.553 -20.204 -5.489 1.00 0.00 N ATOM 0 H ARG A 77 -1.329 -17.732 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 77 0.341 -16.261 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.823 -17.165 -2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.058 -18.737 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.890 -19.007 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.590 -17.401 -4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.069 -18.093 -3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.369 -19.699 -3.126 1.00 0.00 H new ATOM 0 HE ARG A 77 4.378 -19.010 -5.739 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.441 -19.906 -2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.939 -20.649 -3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 77 6.311 -19.977 -6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 77 7.426 -20.689 -5.283 1.00 0.00 H new ATOM 1196 N VAL A 78 -0.974 -17.512 -5.990 1.00 0.00 N ATOM 1197 CA VAL A 78 -1.621 -18.242 -7.071 1.00 0.00 C ATOM 1198 C VAL A 78 -0.595 -19.075 -7.843 1.00 0.00 C ATOM 1199 O VAL A 78 0.537 -18.636 -8.067 1.00 0.00 O ATOM 1200 CB VAL A 78 -2.344 -17.268 -8.034 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -2.911 -18.003 -9.252 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -3.449 -16.508 -7.301 1.00 0.00 C ATOM 0 H VAL A 78 -0.834 -16.520 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.361 -18.911 -6.633 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.608 -16.549 -8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.412 -17.290 -9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.099 -18.487 -9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.626 -18.756 -8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.945 -15.829 -7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.176 -17.216 -6.904 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.015 -15.936 -6.481 1.00 0.00 H new ATOM 1212 N LEU A 79 -0.990 -20.283 -8.226 1.00 0.00 N ATOM 1213 CA LEU A 79 -0.121 -21.187 -8.975 1.00 0.00 C ATOM 1214 C LEU A 79 -0.503 -21.181 -10.454 1.00 0.00 C ATOM 1215 O LEU A 79 0.357 -21.082 -11.336 1.00 0.00 O ATOM 1216 CB LEU A 79 -0.228 -22.611 -8.411 1.00 0.00 C ATOM 1217 CG LEU A 79 0.058 -22.749 -6.904 1.00 0.00 C ATOM 1218 CD1 LEU A 79 0.038 -24.214 -6.479 1.00 0.00 C ATOM 1219 CD2 LEU A 79 1.387 -22.096 -6.536 1.00 0.00 C ATOM 0 H LEU A 79 -1.916 -20.663 -8.029 1.00 0.00 H new ATOM 0 HA LEU A 79 0.909 -20.844 -8.876 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.232 -22.987 -8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.466 -23.252 -8.955 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.733 -22.228 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.243 -24.286 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.943 -24.641 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.800 -24.764 -7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.564 -22.208 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.194 -22.576 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.354 -21.036 -6.789 1.00 0.00 H new ATOM 1231 N GLY A 80 -1.801 -21.293 -10.710 1.00 0.00 N ATOM 1232 CA GLY A 80 -2.320 -21.258 -12.069 1.00 0.00 C ATOM 1233 C GLY A 80 -3.792 -20.892 -12.090 1.00 0.00 C ATOM 1234 O GLY A 80 -4.463 -20.987 -11.064 1.00 0.00 O ATOM 0 H GLY A 80 -2.514 -21.409 -9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.755 -20.535 -12.657 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.179 -22.231 -12.539 1.00 0.00 H new ATOM 1238 N SER A 81 -4.296 -20.484 -13.249 1.00 0.00 N ATOM 1239 CA SER A 81 -5.689 -20.065 -13.385 1.00 0.00 C ATOM 1240 C SER A 81 -6.099 -20.035 -14.856 1.00 0.00 C ATOM 1241 O SER A 81 -5.272 -19.776 -15.735 1.00 0.00 O ATOM 1242 CB SER A 81 -5.889 -18.682 -12.749 1.00 0.00 C ATOM 1243 OG SER A 81 -7.218 -18.215 -12.917 1.00 0.00 O ATOM 0 H SER A 81 -3.758 -20.434 -14.114 1.00 0.00 H new ATOM 0 HA SER A 81 -6.320 -20.786 -12.866 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.653 -18.732 -11.686 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.194 -17.971 -13.197 1.00 0.00 H new ATOM 0 HG SER A 81 -7.208 -17.372 -13.416 1.00 0.00 H new ATOM 1249 N SER A 82 -7.375 -20.304 -15.123 1.00 0.00 N ATOM 1250 CA SER A 82 -7.898 -20.311 -16.487 1.00 0.00 C ATOM 1251 C SER A 82 -9.398 -20.005 -16.504 1.00 0.00 C ATOM 1252 O SER A 82 -10.169 -20.595 -15.740 1.00 0.00 O ATOM 1253 CB SER A 82 -7.640 -21.675 -17.146 1.00 0.00 C ATOM 1254 OG SER A 82 -6.255 -21.982 -17.172 1.00 0.00 O ATOM 0 H SER A 82 -8.069 -20.521 -14.408 1.00 0.00 H new ATOM 0 HA SER A 82 -7.381 -19.533 -17.049 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.177 -22.452 -16.601 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.033 -21.670 -18.163 1.00 0.00 H new ATOM 0 HG SER A 82 -6.122 -22.856 -17.595 1.00 0.00 H new ATOM 1260 N GLU A 83 -9.797 -19.062 -17.359 1.00 0.00 N ATOM 1261 CA GLU A 83 -11.210 -18.807 -17.634 1.00 0.00 C ATOM 1262 C GLU A 83 -11.626 -19.544 -18.906 1.00 0.00 C ATOM 1263 O GLU A 83 -10.964 -19.430 -19.941 1.00 0.00 O ATOM 1264 CB GLU A 83 -11.486 -17.297 -17.784 1.00 0.00 C ATOM 1265 CG GLU A 83 -12.893 -16.980 -18.297 1.00 0.00 C ATOM 1266 CD GLU A 83 -13.226 -15.492 -18.287 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -12.773 -14.768 -19.200 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -13.956 -15.038 -17.380 1.00 0.00 O ATOM 0 H GLU A 83 -9.156 -18.459 -17.875 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.796 -19.173 -16.791 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.342 -16.812 -16.818 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.754 -16.868 -18.468 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.994 -17.359 -19.314 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.622 -17.511 -17.685 1.00 0.00 H new ATOM 1275 N LYS A 84 -12.705 -20.316 -18.817 1.00 0.00 N ATOM 1276 CA LYS A 84 -13.236 -21.055 -19.960 1.00 0.00 C ATOM 1277 C LYS A 84 -14.709 -20.709 -20.174 1.00 0.00 C ATOM 1278 O LYS A 84 -15.602 -21.462 -19.772 1.00 0.00 O ATOM 1279 CB LYS A 84 -13.070 -22.574 -19.759 1.00 0.00 C ATOM 1280 CG LYS A 84 -11.620 -23.039 -19.640 1.00 0.00 C ATOM 1281 CD LYS A 84 -10.825 -22.751 -20.911 1.00 0.00 C ATOM 1282 CE LYS A 84 -11.385 -23.492 -22.122 1.00 0.00 C ATOM 1283 NZ LYS A 84 -10.658 -23.138 -23.369 1.00 0.00 N ATOM 0 H LYS A 84 -13.234 -20.447 -17.955 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.671 -20.765 -20.846 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.609 -22.870 -18.859 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.538 -23.092 -20.596 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.147 -22.540 -18.795 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.597 -24.109 -19.432 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.833 -21.679 -21.108 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.785 -23.039 -20.760 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.317 -24.567 -21.954 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.442 -23.254 -22.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.067 -23.661 -24.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.744 -22.116 -23.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.654 -23.389 -23.268 1.00 0.00 H new ATOM 1297 N GLY A 85 -14.952 -19.547 -20.775 1.00 0.00 N ATOM 1298 CA GLY A 85 -16.305 -19.118 -21.093 1.00 0.00 C ATOM 1299 C GLY A 85 -17.157 -18.849 -19.862 1.00 0.00 C ATOM 1300 O GLY A 85 -17.357 -17.695 -19.474 1.00 0.00 O ATOM 0 H GLY A 85 -14.225 -18.886 -21.051 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.259 -18.213 -21.699 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.788 -19.884 -21.700 1.00 0.00 H new ATOM 1304 N SER A 86 -17.668 -19.916 -19.256 1.00 0.00 N ATOM 1305 CA SER A 86 -18.541 -19.811 -18.089 1.00 0.00 C ATOM 1306 C SER A 86 -18.000 -20.629 -16.913 1.00 0.00 C ATOM 1307 O SER A 86 -18.557 -20.598 -15.814 1.00 0.00 O ATOM 1308 CB SER A 86 -19.951 -20.275 -18.467 1.00 0.00 C ATOM 1309 OG SER A 86 -19.903 -21.497 -19.188 1.00 0.00 O ATOM 0 H SER A 86 -17.491 -20.874 -19.557 1.00 0.00 H new ATOM 0 HA SER A 86 -18.576 -18.769 -17.771 1.00 0.00 H new ATOM 0 HB2 SER A 86 -20.551 -20.403 -17.566 1.00 0.00 H new ATOM 0 HB3 SER A 86 -20.441 -19.511 -19.070 1.00 0.00 H new ATOM 0 HG SER A 86 -20.813 -21.777 -19.418 1.00 0.00 H new ATOM 1315 N ARG A 87 -16.909 -21.352 -17.144 1.00 0.00 N ATOM 1316 CA ARG A 87 -16.292 -22.174 -16.106 1.00 0.00 C ATOM 1317 C ARG A 87 -14.854 -21.729 -15.873 1.00 0.00 C ATOM 1318 O ARG A 87 -14.103 -21.517 -16.823 1.00 0.00 O ATOM 1319 CB ARG A 87 -16.332 -23.658 -16.506 1.00 0.00 C ATOM 1320 CG ARG A 87 -15.672 -24.600 -15.499 1.00 0.00 C ATOM 1321 CD ARG A 87 -16.288 -24.481 -14.107 1.00 0.00 C ATOM 1322 NE ARG A 87 -17.734 -24.716 -14.115 1.00 0.00 N ATOM 1323 CZ ARG A 87 -18.356 -25.617 -13.351 1.00 0.00 C ATOM 1324 NH1 ARG A 87 -17.660 -26.400 -12.534 1.00 0.00 N ATOM 1325 NH2 ARG A 87 -19.674 -25.737 -13.411 1.00 0.00 N ATOM 0 H ARG A 87 -16.431 -21.386 -18.045 1.00 0.00 H new ATOM 0 HA ARG A 87 -16.853 -22.049 -15.180 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -17.371 -23.958 -16.639 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -15.840 -23.775 -17.472 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -15.767 -25.628 -15.850 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.606 -24.379 -15.443 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.810 -25.197 -13.439 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -16.086 -23.487 -13.707 1.00 0.00 H new ATOM 0 HE ARG A 87 -18.304 -24.153 -14.747 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.645 -26.315 -12.488 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.141 -27.086 -11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -20.212 -25.141 -14.040 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -20.151 -26.425 -12.828 1.00 0.00 H new ATOM 1339 N GLY A 88 -14.481 -21.574 -14.610 1.00 0.00 N ATOM 1340 CA GLY A 88 -13.133 -21.165 -14.270 1.00 0.00 C ATOM 1341 C GLY A 88 -12.472 -22.137 -13.322 1.00 0.00 C ATOM 1342 O GLY A 88 -13.152 -22.880 -12.609 1.00 0.00 O ATOM 0 H GLY A 88 -15.094 -21.726 -13.809 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.538 -21.084 -15.180 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.158 -20.175 -13.816 1.00 0.00 H new ATOM 1346 N THR A 89 -11.149 -22.145 -13.322 1.00 0.00 N ATOM 1347 CA THR A 89 -10.380 -23.013 -12.445 1.00 0.00 C ATOM 1348 C THR A 89 -9.080 -22.318 -12.049 1.00 0.00 C ATOM 1349 O THR A 89 -8.399 -21.751 -12.905 1.00 0.00 O ATOM 1350 CB THR A 89 -10.065 -24.358 -13.143 1.00 0.00 C ATOM 1351 OG1 THR A 89 -11.272 -24.918 -13.687 1.00 0.00 O ATOM 1352 CG2 THR A 89 -9.440 -25.351 -12.170 1.00 0.00 C ATOM 0 H THR A 89 -10.580 -21.553 -13.927 1.00 0.00 H new ATOM 0 HA THR A 89 -10.971 -23.219 -11.553 1.00 0.00 H new ATOM 0 HB THR A 89 -9.352 -24.164 -13.944 1.00 0.00 H new ATOM 0 HG1 THR A 89 -11.068 -25.768 -14.129 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.230 -26.286 -12.689 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.511 -24.938 -11.776 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.131 -25.540 -11.348 1.00 0.00 H new ATOM 1360 N VAL A 90 -8.753 -22.337 -10.758 1.00 0.00 N ATOM 1361 CA VAL A 90 -7.531 -21.704 -10.268 1.00 0.00 C ATOM 1362 C VAL A 90 -6.851 -22.559 -9.196 1.00 0.00 C ATOM 1363 O VAL A 90 -7.472 -22.958 -8.207 1.00 0.00 O ATOM 1364 CB VAL A 90 -7.802 -20.273 -9.721 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -8.898 -20.279 -8.662 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -6.523 -19.640 -9.168 1.00 0.00 C ATOM 0 H VAL A 90 -9.316 -22.783 -10.034 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.857 -21.618 -11.120 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.148 -19.667 -10.558 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.061 -19.263 -8.302 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.821 -20.663 -9.096 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.596 -20.915 -7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.744 -18.641 -8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.135 -20.254 -8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.778 -19.573 -9.961 1.00 0.00 H new ATOM 1376 N GLU A 91 -5.578 -22.856 -9.434 1.00 0.00 N ATOM 1377 CA GLU A 91 -4.726 -23.557 -8.480 1.00 0.00 C ATOM 1378 C GLU A 91 -3.995 -22.518 -7.633 1.00 0.00 C ATOM 1379 O GLU A 91 -3.439 -21.565 -8.187 1.00 0.00 O ATOM 1380 CB GLU A 91 -3.703 -24.413 -9.244 1.00 0.00 C ATOM 1381 CG GLU A 91 -2.875 -25.348 -8.367 1.00 0.00 C ATOM 1382 CD GLU A 91 -3.633 -26.591 -7.957 1.00 0.00 C ATOM 1383 OE1 GLU A 91 -4.032 -27.360 -8.855 1.00 0.00 O ATOM 1384 OE2 GLU A 91 -3.804 -26.812 -6.740 1.00 0.00 O ATOM 0 H GLU A 91 -5.104 -22.614 -10.304 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.326 -24.205 -7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.231 -25.008 -9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.027 -23.751 -9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.973 -25.639 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.555 -24.812 -7.474 1.00 0.00 H new ATOM 1391 N PHE A 92 -3.984 -22.678 -6.313 1.00 0.00 N ATOM 1392 CA PHE A 92 -3.375 -21.667 -5.447 1.00 0.00 C ATOM 1393 C PHE A 92 -2.834 -22.257 -4.146 1.00 0.00 C ATOM 1394 O PHE A 92 -3.073 -23.422 -3.814 1.00 0.00 O ATOM 1395 CB PHE A 92 -4.393 -20.560 -5.123 1.00 0.00 C ATOM 1396 CG PHE A 92 -5.588 -21.047 -4.336 1.00 0.00 C ATOM 1397 CD1 PHE A 92 -5.566 -21.059 -2.946 1.00 0.00 C ATOM 1398 CD2 PHE A 92 -6.726 -21.497 -4.986 1.00 0.00 C ATOM 1399 CE1 PHE A 92 -6.654 -21.511 -2.225 1.00 0.00 C ATOM 1400 CE2 PHE A 92 -7.817 -21.947 -4.269 1.00 0.00 C ATOM 1401 CZ PHE A 92 -7.782 -21.956 -2.888 1.00 0.00 C ATOM 0 H PHE A 92 -4.381 -23.481 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.531 -21.250 -5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.893 -19.773 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.740 -20.113 -6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.687 -20.711 -2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.760 -21.496 -6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.623 -21.517 -1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.699 -22.292 -4.788 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.635 -22.310 -2.328 1.00 0.00 H new ATOM 1411 N ILE A 93 -2.098 -21.415 -3.424 1.00 0.00 N ATOM 1412 CA ILE A 93 -1.599 -21.717 -2.091 1.00 0.00 C ATOM 1413 C ILE A 93 -1.880 -20.531 -1.168 1.00 0.00 C ATOM 1414 O ILE A 93 -1.427 -19.413 -1.427 1.00 0.00 O ATOM 1415 CB ILE A 93 -0.072 -22.011 -2.094 1.00 0.00 C ATOM 1416 CG1 ILE A 93 0.228 -23.313 -2.855 1.00 0.00 C ATOM 1417 CG2 ILE A 93 0.472 -22.086 -0.665 1.00 0.00 C ATOM 1418 CD1 ILE A 93 1.697 -23.685 -2.883 1.00 0.00 C ATOM 0 H ILE A 93 -1.829 -20.489 -3.757 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.112 -22.611 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 93 0.429 -21.190 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.334 -24.127 -2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.131 -23.214 -3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.542 -22.293 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.299 -21.136 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.037 -22.883 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.826 -24.614 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.264 -22.891 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.058 -23.818 -1.863 1.00 0.00 H new ATOM 1430 N ALA A 94 -2.651 -20.768 -0.115 1.00 0.00 N ATOM 1431 CA ALA A 94 -2.952 -19.736 0.870 1.00 0.00 C ATOM 1432 C ALA A 94 -2.089 -19.933 2.112 1.00 0.00 C ATOM 1433 O ALA A 94 -2.223 -20.939 2.808 1.00 0.00 O ATOM 1434 CB ALA A 94 -4.434 -19.768 1.234 1.00 0.00 C ATOM 0 H ALA A 94 -3.082 -21.672 0.080 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.726 -18.760 0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.645 -18.992 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.032 -19.592 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.685 -20.743 1.652 1.00 0.00 H new ATOM 1440 N ARG A 95 -1.194 -18.985 2.378 1.00 0.00 N ATOM 1441 CA ARG A 95 -0.312 -19.067 3.538 1.00 0.00 C ATOM 1442 C ARG A 95 -0.910 -18.295 4.707 1.00 0.00 C ATOM 1443 O ARG A 95 -1.106 -17.078 4.631 1.00 0.00 O ATOM 1444 CB ARG A 95 1.082 -18.513 3.214 1.00 0.00 C ATOM 1445 CG ARG A 95 2.054 -18.593 4.391 1.00 0.00 C ATOM 1446 CD ARG A 95 3.399 -17.957 4.065 1.00 0.00 C ATOM 1447 NE ARG A 95 4.350 -18.076 5.176 1.00 0.00 N ATOM 1448 CZ ARG A 95 5.583 -18.576 5.058 1.00 0.00 C ATOM 1449 NH1 ARG A 95 5.986 -19.095 3.906 1.00 0.00 N ATOM 1450 NH2 ARG A 95 6.396 -18.586 6.105 1.00 0.00 N ATOM 0 H ARG A 95 -1.061 -18.151 1.806 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.211 -20.118 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.497 -19.065 2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.988 -17.474 2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.617 -18.094 5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.204 -19.637 4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.818 -18.431 3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.253 -16.904 3.825 1.00 0.00 H new ATOM 0 HE ARG A 95 4.050 -17.757 6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.354 -19.113 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.928 -19.476 3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.080 -18.212 7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.338 -18.968 6.016 1.00 0.00 H new ATOM 1464 N PHE A 96 -1.190 -19.007 5.786 1.00 0.00 N ATOM 1465 CA PHE A 96 -1.797 -18.420 6.966 1.00 0.00 C ATOM 1466 C PHE A 96 -1.157 -18.977 8.231 1.00 0.00 C ATOM 1467 O PHE A 96 -0.657 -20.101 8.248 1.00 0.00 O ATOM 1468 CB PHE A 96 -3.317 -18.670 6.968 1.00 0.00 C ATOM 1469 CG PHE A 96 -3.715 -20.078 6.588 1.00 0.00 C ATOM 1470 CD1 PHE A 96 -3.454 -21.150 7.432 1.00 0.00 C ATOM 1471 CD2 PHE A 96 -4.353 -20.326 5.380 1.00 0.00 C ATOM 1472 CE1 PHE A 96 -3.819 -22.434 7.077 1.00 0.00 C ATOM 1473 CE2 PHE A 96 -4.720 -21.608 5.023 1.00 0.00 C ATOM 1474 CZ PHE A 96 -4.453 -22.663 5.873 1.00 0.00 C ATOM 0 H PHE A 96 -1.003 -20.006 5.867 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.626 -17.344 6.945 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.709 -18.449 7.961 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.789 -17.972 6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -2.960 -20.977 8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.565 -19.505 4.711 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.608 -23.259 7.742 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -5.215 -21.786 4.080 1.00 0.00 H new ATOM 0 HZ PHE A 96 -4.740 -23.667 5.596 1.00 0.00 H new ATOM 1484 N ARG A 97 -1.168 -18.177 9.279 1.00 0.00 N ATOM 1485 CA ARG A 97 -0.661 -18.585 10.573 1.00 0.00 C ATOM 1486 C ARG A 97 -1.795 -19.225 11.363 1.00 0.00 C ATOM 1487 O ARG A 97 -2.715 -18.540 11.813 1.00 0.00 O ATOM 1488 CB ARG A 97 -0.109 -17.359 11.306 1.00 0.00 C ATOM 1489 CG ARG A 97 0.455 -17.647 12.688 1.00 0.00 C ATOM 1490 CD ARG A 97 1.000 -16.378 13.333 1.00 0.00 C ATOM 1491 NE ARG A 97 0.071 -15.247 13.199 1.00 0.00 N ATOM 1492 CZ ARG A 97 -0.227 -14.395 14.179 1.00 0.00 C ATOM 1493 NH1 ARG A 97 0.260 -14.577 15.400 1.00 0.00 N ATOM 1494 NH2 ARG A 97 -1.027 -13.367 13.934 1.00 0.00 N ATOM 0 H ARG A 97 -1.530 -17.224 9.256 1.00 0.00 H new ATOM 0 HA ARG A 97 0.144 -19.311 10.459 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.674 -16.909 10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.904 -16.620 11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.323 -18.075 13.320 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.249 -18.390 12.613 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.195 -16.564 14.389 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.954 -16.119 12.874 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.376 -15.105 12.293 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.867 -15.374 15.593 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.027 -13.920 16.145 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.411 -13.231 12.999 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.258 -12.712 14.681 1.00 0.00 H new ATOM 1508 N ARG A 98 -1.736 -20.540 11.510 1.00 0.00 N ATOM 1509 CA ARG A 98 -2.813 -21.291 12.140 1.00 0.00 C ATOM 1510 C ARG A 98 -2.379 -21.763 13.520 1.00 0.00 C ATOM 1511 O ARG A 98 -1.631 -22.734 13.650 1.00 0.00 O ATOM 1512 CB ARG A 98 -3.223 -22.475 11.254 1.00 0.00 C ATOM 1513 CG ARG A 98 -4.429 -23.251 11.776 1.00 0.00 C ATOM 1514 CD ARG A 98 -4.919 -24.277 10.761 1.00 0.00 C ATOM 1515 NE ARG A 98 -6.096 -25.003 11.240 1.00 0.00 N ATOM 1516 CZ ARG A 98 -7.348 -24.741 10.856 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -7.601 -23.743 10.016 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -8.352 -25.467 11.323 1.00 0.00 N ATOM 0 H ARG A 98 -0.950 -21.112 11.200 1.00 0.00 H new ATOM 0 HA ARG A 98 -3.681 -20.642 12.258 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.446 -22.106 10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.377 -23.157 11.161 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.163 -23.756 12.705 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.236 -22.556 12.010 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.160 -23.774 9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.119 -24.985 10.546 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.951 -25.758 11.910 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.836 -23.170 9.659 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.560 -23.550 9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.170 -26.228 11.977 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.307 -25.265 11.028 1.00 0.00 H new ATOM 1553 N PRO A 102 2.797 -21.719 14.288 1.00 0.00 N ATOM 1554 CA PRO A 102 2.965 -22.391 12.990 1.00 0.00 C ATOM 1555 C PRO A 102 2.256 -21.683 11.830 1.00 0.00 C ATOM 1556 O PRO A 102 1.078 -21.319 11.920 1.00 0.00 O ATOM 1557 CB PRO A 102 2.361 -23.783 13.226 1.00 0.00 C ATOM 1558 CG PRO A 102 1.392 -23.590 14.342 1.00 0.00 C ATOM 1559 CD PRO A 102 1.985 -22.523 15.222 1.00 0.00 C ATOM 0 HA PRO A 102 4.012 -22.404 12.689 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.864 -24.156 12.330 1.00 0.00 H new ATOM 0 HB3 PRO A 102 3.130 -24.509 13.490 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.416 -23.287 13.964 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.245 -24.517 14.897 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.212 -21.922 15.701 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.595 -22.952 16.017 1.00 0.00 H new ATOM 1567 N GLU A 103 2.996 -21.493 10.741 1.00 0.00 N ATOM 1568 CA GLU A 103 2.441 -20.966 9.499 1.00 0.00 C ATOM 1569 C GLU A 103 2.125 -22.123 8.555 1.00 0.00 C ATOM 1570 O GLU A 103 3.030 -22.817 8.088 1.00 0.00 O ATOM 1571 CB GLU A 103 3.432 -20.007 8.828 1.00 0.00 C ATOM 1572 CG GLU A 103 3.707 -18.734 9.619 1.00 0.00 C ATOM 1573 CD GLU A 103 4.906 -17.970 9.080 1.00 0.00 C ATOM 1574 OE1 GLU A 103 4.799 -17.365 7.993 1.00 0.00 O ATOM 1575 OE2 GLU A 103 5.970 -17.982 9.736 1.00 0.00 O ATOM 0 H GLU A 103 3.994 -21.699 10.695 1.00 0.00 H new ATOM 0 HA GLU A 103 1.528 -20.416 9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.374 -20.531 8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.047 -19.734 7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.826 -18.092 9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.881 -18.988 10.665 1.00 0.00 H new ATOM 1582 N GLN A 104 0.846 -22.329 8.286 1.00 0.00 N ATOM 1583 CA GLN A 104 0.398 -23.418 7.428 1.00 0.00 C ATOM 1584 C GLN A 104 -0.027 -22.863 6.073 1.00 0.00 C ATOM 1585 O GLN A 104 -0.498 -21.730 5.981 1.00 0.00 O ATOM 1586 CB GLN A 104 -0.766 -24.163 8.096 1.00 0.00 C ATOM 1587 CG GLN A 104 -1.301 -25.343 7.289 1.00 0.00 C ATOM 1588 CD GLN A 104 -2.455 -26.056 7.976 1.00 0.00 C ATOM 1589 OE1 GLN A 104 -2.442 -26.087 9.302 1.00 0.00 O flip ATOM 1590 NE2 GLN A 104 -3.347 -26.590 7.318 1.00 0.00 N flip ATOM 0 H GLN A 104 0.091 -21.750 8.653 1.00 0.00 H new ATOM 0 HA GLN A 104 1.217 -24.121 7.276 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -0.440 -24.523 9.072 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.580 -23.459 8.272 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.630 -24.989 6.312 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.493 -26.054 7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.325 -26.546 6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.108 -27.076 7.791 1.00 0.00 H new ATOM 1599 N SER A 105 0.145 -23.653 5.024 1.00 0.00 N ATOM 1600 CA SER A 105 -0.198 -23.219 3.678 1.00 0.00 C ATOM 1601 C SER A 105 -1.160 -24.209 3.023 1.00 0.00 C ATOM 1602 O SER A 105 -0.840 -25.386 2.846 1.00 0.00 O ATOM 1603 CB SER A 105 1.076 -23.038 2.838 1.00 0.00 C ATOM 1604 OG SER A 105 1.915 -24.182 2.900 1.00 0.00 O ATOM 0 H SER A 105 0.521 -24.600 5.079 1.00 0.00 H new ATOM 0 HA SER A 105 -0.704 -22.255 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.803 -22.843 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.624 -22.165 3.193 1.00 0.00 H new ATOM 0 HG SER A 105 1.363 -24.990 2.956 1.00 0.00 H new ATOM 1610 N HIS A 106 -2.346 -23.722 2.680 1.00 0.00 N ATOM 1611 CA HIS A 106 -3.387 -24.551 2.088 1.00 0.00 C ATOM 1612 C HIS A 106 -3.260 -24.526 0.567 1.00 0.00 C ATOM 1613 O HIS A 106 -3.588 -23.527 -0.074 1.00 0.00 O ATOM 1614 CB HIS A 106 -4.774 -24.042 2.518 1.00 0.00 C ATOM 1615 CG HIS A 106 -5.903 -25.002 2.265 1.00 0.00 C ATOM 1616 ND1 HIS A 106 -7.068 -24.995 3.000 1.00 0.00 N ATOM 1617 CD2 HIS A 106 -6.044 -26.001 1.360 1.00 0.00 C ATOM 1618 CE1 HIS A 106 -7.872 -25.943 2.562 1.00 0.00 C ATOM 1619 NE2 HIS A 106 -7.275 -26.569 1.567 1.00 0.00 N ATOM 0 H HIS A 106 -2.612 -22.745 2.804 1.00 0.00 H new ATOM 0 HA HIS A 106 -3.271 -25.577 2.436 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.746 -23.808 3.582 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -4.983 -23.110 1.992 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.321 -26.295 0.614 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -8.853 -26.169 2.952 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -7.665 -27.349 1.038 1.00 0.00 H new ATOM 1628 N HIS A 107 -2.757 -25.616 0.002 1.00 0.00 N ATOM 1629 CA HIS A 107 -2.631 -25.754 -1.447 1.00 0.00 C ATOM 1630 C HIS A 107 -3.807 -26.552 -1.990 1.00 0.00 C ATOM 1631 O HIS A 107 -3.998 -27.712 -1.618 1.00 0.00 O ATOM 1632 CB HIS A 107 -1.302 -26.447 -1.809 1.00 0.00 C ATOM 1633 CG HIS A 107 -1.168 -26.833 -3.261 1.00 0.00 C ATOM 1634 ND1 HIS A 107 -0.245 -27.751 -3.708 1.00 0.00 N ATOM 1635 CD2 HIS A 107 -1.846 -26.428 -4.363 1.00 0.00 C ATOM 1636 CE1 HIS A 107 -0.363 -27.895 -5.014 1.00 0.00 C ATOM 1637 NE2 HIS A 107 -1.331 -27.104 -5.438 1.00 0.00 N ATOM 0 H HIS A 107 -2.427 -26.425 0.529 1.00 0.00 H new ATOM 0 HA HIS A 107 -2.634 -24.762 -1.898 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.478 -25.783 -1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.197 -27.343 -1.198 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.647 -25.704 -4.389 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.232 -28.550 -5.633 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -1.644 -27.011 -6.405 1.00 0.00 H new ATOM 1646 N GLU A 108 -4.590 -25.934 -2.867 1.00 0.00 N ATOM 1647 CA GLU A 108 -5.707 -26.618 -3.501 1.00 0.00 C ATOM 1648 C GLU A 108 -6.173 -25.877 -4.745 1.00 0.00 C ATOM 1649 O GLU A 108 -5.728 -24.759 -5.026 1.00 0.00 O ATOM 1650 CB GLU A 108 -6.876 -26.795 -2.519 1.00 0.00 C ATOM 1651 CG GLU A 108 -7.485 -25.490 -2.011 1.00 0.00 C ATOM 1652 CD GLU A 108 -8.724 -25.714 -1.152 1.00 0.00 C ATOM 1653 OE1 GLU A 108 -8.899 -26.837 -0.628 1.00 0.00 O ATOM 1654 OE2 GLU A 108 -9.518 -24.767 -0.984 1.00 0.00 O ATOM 0 H GLU A 108 -4.471 -24.962 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.356 -27.605 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.657 -27.379 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.530 -27.376 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.739 -24.947 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.747 -24.861 -2.862 1.00 0.00 H new ATOM 1661 N ARG A 109 -7.080 -26.514 -5.474 1.00 0.00 N ATOM 1662 CA ARG A 109 -7.578 -25.991 -6.735 1.00 0.00 C ATOM 1663 C ARG A 109 -9.083 -25.763 -6.648 1.00 0.00 C ATOM 1664 O ARG A 109 -9.852 -26.703 -6.432 1.00 0.00 O ATOM 1665 CB ARG A 109 -7.237 -26.971 -7.865 1.00 0.00 C ATOM 1666 CG ARG A 109 -7.632 -26.491 -9.255 1.00 0.00 C ATOM 1667 CD ARG A 109 -6.895 -27.266 -10.341 1.00 0.00 C ATOM 1668 NE ARG A 109 -7.175 -28.705 -10.304 1.00 0.00 N ATOM 1669 CZ ARG A 109 -6.238 -29.642 -10.460 1.00 0.00 C ATOM 1670 NH1 ARG A 109 -4.958 -29.295 -10.515 1.00 0.00 N ATOM 1671 NH2 ARG A 109 -6.574 -30.925 -10.507 1.00 0.00 N ATOM 0 H ARG A 109 -7.490 -27.408 -5.206 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.102 -25.034 -6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -6.164 -27.163 -7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.733 -27.921 -7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.707 -26.607 -9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.411 -25.428 -9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -7.177 -26.871 -11.317 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -5.822 -27.107 -10.230 1.00 0.00 H new ATOM 0 HE ARG A 109 -8.138 -29.006 -10.151 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.692 -28.313 -10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.240 -30.010 -10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.553 -31.199 -10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.853 -31.637 -10.626 1.00 0.00 H new ATOM 1685 N SER A 110 -9.499 -24.510 -6.802 1.00 0.00 N ATOM 1686 CA SER A 110 -10.906 -24.147 -6.692 1.00 0.00 C ATOM 1687 C SER A 110 -11.527 -23.902 -8.065 1.00 0.00 C ATOM 1688 O SER A 110 -10.932 -23.248 -8.930 1.00 0.00 O ATOM 1689 CB SER A 110 -11.066 -22.906 -5.810 1.00 0.00 C ATOM 1690 OG SER A 110 -10.604 -23.154 -4.492 1.00 0.00 O ATOM 0 H SER A 110 -8.878 -23.726 -7.004 1.00 0.00 H new ATOM 0 HA SER A 110 -11.432 -24.983 -6.230 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.511 -22.074 -6.243 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.114 -22.609 -5.781 1.00 0.00 H new ATOM 0 HG SER A 110 -10.715 -22.346 -3.949 1.00 0.00 H new ATOM 1696 N GLN A 111 -12.717 -24.461 -8.261 1.00 0.00 N ATOM 1697 CA GLN A 111 -13.502 -24.238 -9.465 1.00 0.00 C ATOM 1698 C GLN A 111 -14.490 -23.100 -9.223 1.00 0.00 C ATOM 1699 O GLN A 111 -15.058 -22.975 -8.132 1.00 0.00 O ATOM 1700 CB GLN A 111 -14.272 -25.506 -9.873 1.00 0.00 C ATOM 1701 CG GLN A 111 -13.401 -26.719 -10.197 1.00 0.00 C ATOM 1702 CD GLN A 111 -12.709 -27.308 -8.975 1.00 0.00 C ATOM 1703 OE1 GLN A 111 -13.280 -28.133 -8.264 1.00 0.00 O ATOM 1704 NE2 GLN A 111 -11.466 -26.917 -8.743 1.00 0.00 N ATOM 0 H GLN A 111 -13.163 -25.082 -7.586 1.00 0.00 H new ATOM 0 HA GLN A 111 -12.820 -23.978 -10.274 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -14.954 -25.773 -9.066 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -14.885 -25.275 -10.744 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -14.019 -27.487 -10.662 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -12.647 -26.431 -10.929 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -11.025 -26.230 -9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.949 -27.302 -7.953 1.00 0.00 H new ATOM 1713 N PHE A 112 -14.692 -22.279 -10.241 1.00 0.00 N ATOM 1714 CA PHE A 112 -15.591 -21.131 -10.155 1.00 0.00 C ATOM 1715 C PHE A 112 -16.613 -21.181 -11.287 1.00 0.00 C ATOM 1716 O PHE A 112 -16.298 -21.620 -12.399 1.00 0.00 O ATOM 1717 CB PHE A 112 -14.793 -19.817 -10.221 1.00 0.00 C ATOM 1718 CG PHE A 112 -13.977 -19.532 -8.983 1.00 0.00 C ATOM 1719 CD1 PHE A 112 -12.810 -20.234 -8.723 1.00 0.00 C ATOM 1720 CD2 PHE A 112 -14.382 -18.561 -8.078 1.00 0.00 C ATOM 1721 CE1 PHE A 112 -12.068 -19.975 -7.587 1.00 0.00 C ATOM 1722 CE2 PHE A 112 -13.641 -18.299 -6.942 1.00 0.00 C ATOM 1723 CZ PHE A 112 -12.483 -19.007 -6.697 1.00 0.00 C ATOM 0 H PHE A 112 -14.241 -22.386 -11.149 1.00 0.00 H new ATOM 0 HA PHE A 112 -16.116 -21.171 -9.201 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -14.127 -19.851 -11.083 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -15.485 -18.991 -10.386 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -12.477 -20.992 -9.417 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -15.288 -18.003 -8.264 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -11.162 -20.531 -7.396 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -13.968 -17.540 -6.246 1.00 0.00 H new ATOM 0 HZ PHE A 112 -11.902 -18.804 -5.809 1.00 0.00 H new ATOM 1733 N ARG A 113 -17.831 -20.746 -10.994 1.00 0.00 N ATOM 1734 CA ARG A 113 -18.899 -20.675 -11.985 1.00 0.00 C ATOM 1735 C ARG A 113 -19.183 -19.222 -12.351 1.00 0.00 C ATOM 1736 O ARG A 113 -19.280 -18.358 -11.477 1.00 0.00 O ATOM 1737 CB ARG A 113 -20.169 -21.351 -11.447 1.00 0.00 C ATOM 1738 CG ARG A 113 -21.417 -21.102 -12.290 1.00 0.00 C ATOM 1739 CD ARG A 113 -22.611 -21.900 -11.781 1.00 0.00 C ATOM 1740 NE ARG A 113 -22.463 -23.335 -12.044 1.00 0.00 N ATOM 1741 CZ ARG A 113 -22.865 -24.302 -11.215 1.00 0.00 C ATOM 1742 NH1 ARG A 113 -23.299 -24.008 -9.995 1.00 0.00 N ATOM 1743 NH2 ARG A 113 -22.785 -25.568 -11.597 1.00 0.00 N ATOM 0 H ARG A 113 -18.108 -20.432 -10.064 1.00 0.00 H new ATOM 0 HA ARG A 113 -18.579 -21.203 -12.883 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -19.996 -22.425 -11.383 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -20.353 -20.997 -10.433 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -21.658 -20.039 -12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -21.215 -21.371 -13.327 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -22.726 -21.737 -10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -23.521 -21.536 -12.258 1.00 0.00 H new ATOM 0 HE ARG A 113 -22.023 -23.614 -12.921 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -23.327 -23.037 -9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -23.604 -24.753 -9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -22.418 -25.800 -12.520 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -23.090 -26.311 -10.968 1.00 0.00 H new ATOM 1757 N LYS A 114 -19.300 -18.957 -13.644 1.00 0.00 N ATOM 1758 CA LYS A 114 -19.580 -17.615 -14.138 1.00 0.00 C ATOM 1759 C LYS A 114 -21.076 -17.462 -14.391 1.00 0.00 C ATOM 1760 O LYS A 114 -21.666 -18.229 -15.161 1.00 0.00 O ATOM 1761 CB LYS A 114 -18.789 -17.359 -15.422 1.00 0.00 C ATOM 1762 CG LYS A 114 -18.634 -15.885 -15.760 1.00 0.00 C ATOM 1763 CD LYS A 114 -17.702 -15.683 -16.947 1.00 0.00 C ATOM 1764 CE LYS A 114 -17.330 -14.223 -17.119 1.00 0.00 C ATOM 1765 NZ LYS A 114 -16.442 -14.013 -18.295 1.00 0.00 N ATOM 0 H LYS A 114 -19.204 -19.660 -14.377 1.00 0.00 H new ATOM 0 HA LYS A 114 -19.275 -16.882 -13.391 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -17.800 -17.806 -15.324 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -19.286 -17.863 -16.251 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -19.611 -15.457 -15.985 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -18.244 -15.350 -14.894 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -16.798 -16.276 -16.806 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -18.183 -16.046 -17.855 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -18.236 -13.629 -17.237 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -16.830 -13.867 -16.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.414 -13.001 -18.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.482 -14.342 -18.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.809 -14.550 -19.107 1.00 0.00 H new ATOM 1779 N ALA A 115 -21.686 -16.484 -13.731 1.00 0.00 N ATOM 1780 CA ALA A 115 -23.115 -16.232 -13.861 1.00 0.00 C ATOM 1781 C ALA A 115 -23.374 -14.753 -14.123 1.00 0.00 C ATOM 1782 O ALA A 115 -22.957 -13.892 -13.342 1.00 0.00 O ATOM 1783 CB ALA A 115 -23.852 -16.693 -12.608 1.00 0.00 C ATOM 0 H ALA A 115 -21.207 -15.847 -13.094 1.00 0.00 H new ATOM 0 HA ALA A 115 -23.492 -16.801 -14.711 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -24.918 -16.498 -12.721 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -23.692 -17.762 -12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -23.473 -16.150 -11.742 1.00 0.00 H new ATOM 1789 N ARG A 116 -24.045 -14.470 -15.240 1.00 0.00 N ATOM 1790 CA ARG A 116 -24.399 -13.103 -15.629 1.00 0.00 C ATOM 1791 C ARG A 116 -23.155 -12.215 -15.728 1.00 0.00 C ATOM 1792 O ARG A 116 -23.230 -10.997 -15.549 1.00 0.00 O ATOM 1793 CB ARG A 116 -25.416 -12.505 -14.642 1.00 0.00 C ATOM 1794 CG ARG A 116 -26.749 -13.259 -14.561 1.00 0.00 C ATOM 1795 CD ARG A 116 -27.479 -13.312 -15.906 1.00 0.00 C ATOM 1796 NE ARG A 116 -26.905 -14.309 -16.819 1.00 0.00 N ATOM 1797 CZ ARG A 116 -26.593 -14.077 -18.098 1.00 0.00 C ATOM 1798 NH1 ARG A 116 -26.781 -12.880 -18.633 1.00 0.00 N ATOM 1799 NH2 ARG A 116 -26.089 -15.050 -18.843 1.00 0.00 N ATOM 0 H ARG A 116 -24.359 -15.181 -15.901 1.00 0.00 H new ATOM 0 HA ARG A 116 -24.859 -13.144 -16.616 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -24.967 -12.480 -13.649 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -25.615 -11.472 -14.928 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -26.567 -14.275 -14.211 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -27.390 -12.777 -13.823 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -28.531 -13.543 -15.736 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -27.440 -12.329 -16.376 1.00 0.00 H new ATOM 0 HE ARG A 116 -26.732 -15.245 -16.451 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -27.167 -12.124 -18.068 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -26.539 -12.714 -19.610 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -25.939 -15.975 -18.440 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -25.851 -14.874 -19.819 1.00 0.00 H new ATOM 1813 N GLY A 117 -22.018 -12.832 -16.040 1.00 0.00 N ATOM 1814 CA GLY A 117 -20.772 -12.095 -16.193 1.00 0.00 C ATOM 1815 C GLY A 117 -19.956 -12.033 -14.914 1.00 0.00 C ATOM 1816 O GLY A 117 -18.746 -11.799 -14.957 1.00 0.00 O ATOM 0 H GLY A 117 -21.936 -13.837 -16.191 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -20.174 -12.562 -16.976 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -20.995 -11.081 -16.524 1.00 0.00 H new ATOM 1820 N ARG A 118 -20.606 -12.252 -13.772 1.00 0.00 N ATOM 1821 CA ARG A 118 -19.915 -12.220 -12.486 1.00 0.00 C ATOM 1822 C ARG A 118 -19.409 -13.616 -12.141 1.00 0.00 C ATOM 1823 O ARG A 118 -19.988 -14.613 -12.570 1.00 0.00 O ATOM 1824 CB ARG A 118 -20.830 -11.707 -11.359 1.00 0.00 C ATOM 1825 CG ARG A 118 -21.489 -10.352 -11.636 1.00 0.00 C ATOM 1826 CD ARG A 118 -22.858 -10.504 -12.294 1.00 0.00 C ATOM 1827 NE ARG A 118 -23.774 -11.278 -11.449 1.00 0.00 N ATOM 1828 CZ ARG A 118 -25.092 -11.083 -11.372 1.00 0.00 C ATOM 1829 NH1 ARG A 118 -25.691 -10.155 -12.110 1.00 0.00 N ATOM 1830 NH2 ARG A 118 -25.813 -11.828 -10.549 1.00 0.00 N ATOM 0 H ARG A 118 -21.604 -12.452 -13.712 1.00 0.00 H new ATOM 0 HA ARG A 118 -19.076 -11.530 -12.575 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -21.611 -12.446 -11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -20.246 -11.631 -10.442 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -21.596 -9.803 -10.700 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -20.841 -9.759 -12.281 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -23.283 -9.519 -12.486 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -22.747 -10.997 -13.260 1.00 0.00 H new ATOM 0 HE ARG A 118 -23.373 -12.021 -10.877 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -25.143 -9.578 -12.748 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -26.699 -10.019 -12.039 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -25.361 -12.544 -9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -26.821 -11.686 -10.483 1.00 0.00 H new ATOM 1844 N TRP A 119 -18.324 -13.688 -11.379 1.00 0.00 N ATOM 1845 CA TRP A 119 -17.762 -14.969 -10.968 1.00 0.00 C ATOM 1846 C TRP A 119 -18.198 -15.341 -9.558 1.00 0.00 C ATOM 1847 O TRP A 119 -18.192 -14.505 -8.652 1.00 0.00 O ATOM 1848 CB TRP A 119 -16.235 -14.945 -11.070 1.00 0.00 C ATOM 1849 CG TRP A 119 -15.754 -15.154 -12.470 1.00 0.00 C ATOM 1850 CD1 TRP A 119 -15.370 -14.205 -13.372 1.00 0.00 C ATOM 1851 CD2 TRP A 119 -15.639 -16.411 -13.136 1.00 0.00 C ATOM 1852 NE1 TRP A 119 -14.999 -14.804 -14.552 1.00 0.00 N ATOM 1853 CE2 TRP A 119 -15.161 -16.157 -14.429 1.00 0.00 C ATOM 1854 CE3 TRP A 119 -15.887 -17.730 -12.756 1.00 0.00 C ATOM 1855 CZ2 TRP A 119 -14.931 -17.172 -15.346 1.00 0.00 C ATOM 1856 CZ3 TRP A 119 -15.658 -18.737 -13.670 1.00 0.00 C ATOM 1857 CH2 TRP A 119 -15.183 -18.452 -14.953 1.00 0.00 C ATOM 0 H TRP A 119 -17.816 -12.874 -11.033 1.00 0.00 H new ATOM 0 HA TRP A 119 -18.144 -15.732 -11.646 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -15.864 -13.989 -10.700 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -15.818 -15.720 -10.426 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -15.359 -13.141 -13.186 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -14.659 -14.320 -15.383 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -16.251 -17.958 -11.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -14.564 -16.955 -16.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -15.849 -19.762 -13.390 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -15.012 -19.262 -15.647 1.00 0.00 H new ATOM 1868 N TYR A 120 -18.581 -16.602 -9.396 1.00 0.00 N ATOM 1869 CA TYR A 120 -19.026 -17.136 -8.116 1.00 0.00 C ATOM 1870 C TYR A 120 -18.235 -18.400 -7.779 1.00 0.00 C ATOM 1871 O TYR A 120 -18.008 -19.250 -8.643 1.00 0.00 O ATOM 1872 CB TYR A 120 -20.530 -17.446 -8.163 1.00 0.00 C ATOM 1873 CG TYR A 120 -21.406 -16.231 -8.422 1.00 0.00 C ATOM 1874 CD1 TYR A 120 -21.680 -15.807 -9.719 1.00 0.00 C ATOM 1875 CD2 TYR A 120 -21.958 -15.506 -7.369 1.00 0.00 C ATOM 1876 CE1 TYR A 120 -22.475 -14.702 -9.957 1.00 0.00 C ATOM 1877 CE2 TYR A 120 -22.754 -14.400 -7.602 1.00 0.00 C ATOM 1878 CZ TYR A 120 -23.010 -14.003 -8.898 1.00 0.00 C ATOM 1879 OH TYR A 120 -23.802 -12.900 -9.136 1.00 0.00 O ATOM 0 H TYR A 120 -18.591 -17.285 -10.153 1.00 0.00 H new ATOM 0 HA TYR A 120 -18.850 -16.391 -7.340 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -20.713 -18.186 -8.942 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -20.826 -17.899 -7.217 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -21.264 -16.351 -10.554 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -21.761 -15.813 -6.353 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -22.676 -14.388 -10.970 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -23.174 -13.849 -6.773 1.00 0.00 H new ATOM 0 HH TYR A 120 -24.101 -12.522 -8.283 1.00 0.00 H new ATOM 1889 N PHE A 121 -17.805 -18.507 -6.529 1.00 0.00 N ATOM 1890 CA PHE A 121 -17.035 -19.659 -6.064 1.00 0.00 C ATOM 1891 C PHE A 121 -17.909 -20.910 -5.985 1.00 0.00 C ATOM 1892 O PHE A 121 -18.868 -20.952 -5.215 1.00 0.00 O ATOM 1893 CB PHE A 121 -16.414 -19.344 -4.697 1.00 0.00 C ATOM 1894 CG PHE A 121 -15.877 -20.550 -3.968 1.00 0.00 C ATOM 1895 CD1 PHE A 121 -14.626 -21.064 -4.271 1.00 0.00 C ATOM 1896 CD2 PHE A 121 -16.630 -21.168 -2.977 1.00 0.00 C ATOM 1897 CE1 PHE A 121 -14.137 -22.167 -3.602 1.00 0.00 C ATOM 1898 CE2 PHE A 121 -16.146 -22.271 -2.307 1.00 0.00 C ATOM 1899 CZ PHE A 121 -14.898 -22.772 -2.619 1.00 0.00 C ATOM 0 H PHE A 121 -17.977 -17.804 -5.811 1.00 0.00 H new ATOM 0 HA PHE A 121 -16.239 -19.860 -6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -15.605 -18.627 -4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -17.165 -18.861 -4.072 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -14.028 -20.596 -5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -17.607 -20.779 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -13.160 -22.558 -3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -16.742 -22.742 -1.539 1.00 0.00 H new ATOM 0 HZ PHE A 121 -14.516 -23.636 -2.095 1.00 0.00 H new ATOM 1909 N SER A 122 -17.563 -21.931 -6.766 1.00 0.00 N ATOM 1910 CA SER A 122 -18.341 -23.164 -6.809 1.00 0.00 C ATOM 1911 C SER A 122 -17.844 -24.161 -5.764 1.00 0.00 C ATOM 1912 O SER A 122 -18.624 -24.669 -4.961 1.00 0.00 O ATOM 1913 CB SER A 122 -18.283 -23.776 -8.211 1.00 0.00 C ATOM 1914 OG SER A 122 -18.758 -22.857 -9.178 1.00 0.00 O ATOM 0 H SER A 122 -16.747 -21.927 -7.378 1.00 0.00 H new ATOM 0 HA SER A 122 -19.378 -22.924 -6.575 1.00 0.00 H new ATOM 0 HB2 SER A 122 -17.258 -24.062 -8.446 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.883 -24.686 -8.241 1.00 0.00 H new ATOM 0 HG SER A 122 -19.696 -22.642 -8.992 1.00 0.00 H new ATOM 1920 N GLU A 123 -16.545 -24.443 -5.769 1.00 0.00 N ATOM 1921 CA GLU A 123 -15.963 -25.376 -4.807 1.00 0.00 C ATOM 1922 C GLU A 123 -14.451 -25.425 -4.946 1.00 0.00 C ATOM 1923 O GLU A 123 -13.897 -24.946 -5.933 1.00 0.00 O ATOM 1924 CB GLU A 123 -16.563 -26.781 -4.976 1.00 0.00 C ATOM 1925 CG GLU A 123 -16.418 -27.361 -6.379 1.00 0.00 C ATOM 1926 CD GLU A 123 -17.200 -28.652 -6.547 1.00 0.00 C ATOM 1927 OE1 GLU A 123 -16.681 -29.725 -6.171 1.00 0.00 O ATOM 1928 OE2 GLU A 123 -18.354 -28.597 -7.023 1.00 0.00 O ATOM 0 H GLU A 123 -15.876 -24.041 -6.426 1.00 0.00 H new ATOM 0 HA GLU A 123 -16.203 -25.018 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -16.085 -27.455 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -17.621 -26.745 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -16.764 -26.630 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -15.364 -27.546 -6.587 1.00 0.00 H new ATOM 1935 N GLY A 124 -13.795 -25.990 -3.944 1.00 0.00 N ATOM 1936 CA GLY A 124 -12.354 -26.113 -3.960 1.00 0.00 C ATOM 1937 C GLY A 124 -11.886 -27.247 -3.079 1.00 0.00 C ATOM 1938 O GLY A 124 -12.400 -27.430 -1.974 1.00 0.00 O ATOM 0 H GLY A 124 -14.243 -26.370 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -12.013 -26.280 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -11.904 -25.179 -3.623 1.00 0.00 H new ATOM 1942 N GLU A 125 -10.928 -28.019 -3.571 1.00 0.00 N ATOM 1943 CA GLU A 125 -10.376 -29.138 -2.821 1.00 0.00 C ATOM 1944 C GLU A 125 -8.963 -29.439 -3.302 1.00 0.00 C ATOM 1945 O GLU A 125 -8.476 -28.809 -4.247 1.00 0.00 O ATOM 1946 CB GLU A 125 -11.273 -30.376 -2.958 1.00 0.00 C ATOM 1947 CG GLU A 125 -11.426 -30.879 -4.389 1.00 0.00 C ATOM 1948 CD GLU A 125 -12.398 -32.041 -4.490 1.00 0.00 C ATOM 1949 OE1 GLU A 125 -12.011 -33.182 -4.157 1.00 0.00 O ATOM 1950 OE2 GLU A 125 -13.562 -31.820 -4.883 1.00 0.00 O ATOM 0 H GLU A 125 -10.514 -27.889 -4.494 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.335 -28.868 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -10.863 -31.178 -2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -12.260 -30.142 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -11.771 -30.063 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.452 -31.188 -4.769 1.00 0.00 H new ATOM 1957 N ALA A 126 -8.311 -30.394 -2.645 1.00 0.00 N ATOM 1958 CA ALA A 126 -6.929 -30.746 -2.953 1.00 0.00 C ATOM 1959 C ALA A 126 -6.761 -31.068 -4.437 1.00 0.00 C ATOM 1960 O ALA A 126 -7.566 -31.801 -5.018 1.00 0.00 O ATOM 1961 CB ALA A 126 -6.482 -31.925 -2.095 1.00 0.00 C ATOM 0 H ALA A 126 -8.722 -30.942 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 126 -6.299 -29.886 -2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -5.449 -32.178 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.555 -31.656 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.122 -32.784 -2.296 1.00 0.00 H new