USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 804 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 57 TYR OH : rot 180:sc= 0.834 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -164:sc= 1.71 (180deg=-0.538) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -175:sc= 1.03 (180deg=-0.14) USER MOD Set 2.2: A 50 SER OG : rot -20:sc= 1.45 USER MOD Single : A 0 SER OG : rot 164:sc= 0.374 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ -169:sc= 0.177 (180deg=0.151) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.0465 (180deg=-0.371) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.33 K(o=0.33,f=-5.7!) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.0411 (180deg=-0.393) USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= 0.55 (180deg=0.0791) USER MOD Single : A 30 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.14) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= -0.0126 (180deg=-0.105) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0553) USER MOD Single : A 37 TYR OH : rot 30:sc= -1.12! USER MOD Single : A 41 THR OG1 : rot 6:sc= 1.06 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= 2.45 (180deg=2.09) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0385) USER MOD Single : A 49 THR OG1 : rot 157:sc= 0.587 USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0159) USER MOD Single : A 56 TYR OH : rot 99:sc= 0.209 USER MOD Single : A 59 SER OG : rot -160:sc= -0.0914 USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= 1.18 (180deg=1.08) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= 0.765 (180deg=-0.19!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -141:sc= -0.58 (180deg=-1.87!) USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= -0.254 (180deg=-0.815) USER MOD Single : A 88 LYS NZ :NH3+ -168:sc=-0.00944 (180deg=-0.148) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.796 7.802 5.458 1.00 0.00 N ATOM 2 CA GLY A -1 7.923 7.402 4.581 1.00 0.00 C ATOM 3 C GLY A -1 8.239 5.928 4.709 1.00 0.00 C ATOM 4 O GLY A -1 7.712 5.249 5.591 1.00 0.00 O ATOM 0 H1 GLY A -1 6.488 8.764 5.210 1.00 0.00 H new ATOM 0 H2 GLY A -1 6.004 7.140 5.329 1.00 0.00 H new ATOM 0 H3 GLY A -1 7.105 7.783 6.451 1.00 0.00 H new ATOM 0 HA2 GLY A -1 7.676 7.632 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.807 7.987 4.836 1.00 0.00 H new ATOM 10 N SER A 0 9.092 5.426 3.827 1.00 0.00 N ATOM 11 CA SER A 0 9.479 4.027 3.858 1.00 0.00 C ATOM 12 C SER A 0 10.664 3.836 4.786 1.00 0.00 C ATOM 13 O SER A 0 11.808 4.075 4.414 1.00 0.00 O ATOM 14 CB SER A 0 9.816 3.513 2.451 1.00 0.00 C ATOM 15 OG SER A 0 10.126 2.132 2.457 1.00 0.00 O ATOM 0 H SER A 0 9.528 5.969 3.082 1.00 0.00 H new ATOM 0 HA SER A 0 8.635 3.449 4.233 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.971 3.693 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 0 10.661 4.074 2.052 1.00 0.00 H new ATOM 0 HG SER A 0 10.087 1.784 1.542 1.00 0.00 H new ATOM 21 N LEU A 1 10.374 3.443 6.011 1.00 0.00 N ATOM 22 CA LEU A 1 11.412 3.100 6.967 1.00 0.00 C ATOM 23 C LEU A 1 11.516 1.584 7.042 1.00 0.00 C ATOM 24 O LEU A 1 11.941 1.013 8.045 1.00 0.00 O ATOM 25 CB LEU A 1 11.073 3.682 8.342 1.00 0.00 C ATOM 26 CG LEU A 1 10.749 5.180 8.350 1.00 0.00 C ATOM 27 CD1 LEU A 1 10.236 5.607 9.716 1.00 0.00 C ATOM 28 CD2 LEU A 1 11.969 5.997 7.953 1.00 0.00 C ATOM 0 H LEU A 1 9.424 3.353 6.370 1.00 0.00 H new ATOM 0 HA LEU A 1 12.367 3.518 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.220 3.139 8.749 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.914 3.504 9.012 1.00 0.00 H new ATOM 0 HG LEU A 1 9.964 5.365 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.011 6.673 9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.331 5.048 9.956 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.997 5.406 10.470 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.717 7.057 7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.778 5.808 8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.288 5.711 6.950 1.00 0.00 H new ATOM 40 N ILE A 2 11.123 0.953 5.946 1.00 0.00 N ATOM 41 CA ILE A 2 11.044 -0.494 5.847 1.00 0.00 C ATOM 42 C ILE A 2 12.437 -1.138 5.854 1.00 0.00 C ATOM 43 O ILE A 2 12.619 -2.244 6.362 1.00 0.00 O ATOM 44 CB ILE A 2 10.259 -0.893 4.569 1.00 0.00 C ATOM 45 CG1 ILE A 2 8.743 -0.835 4.811 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.658 -2.265 4.065 1.00 0.00 C ATOM 47 CD1 ILE A 2 8.196 0.561 5.031 1.00 0.00 C ATOM 0 H ILE A 2 10.847 1.438 5.092 1.00 0.00 H new ATOM 0 HA ILE A 2 10.512 -0.867 6.722 1.00 0.00 H new ATOM 0 HB ILE A 2 10.518 -0.167 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.234 -1.281 3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.503 -1.447 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.085 -2.505 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.722 -2.270 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.455 -3.009 4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.120 0.509 5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.674 1.006 5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.401 1.174 4.154 1.00 0.00 H new ATOM 59 N LEU A 3 13.413 -0.430 5.305 1.00 0.00 N ATOM 60 CA LEU A 3 14.784 -0.922 5.249 1.00 0.00 C ATOM 61 C LEU A 3 15.744 0.156 5.714 1.00 0.00 C ATOM 62 O LEU A 3 15.325 1.257 6.070 1.00 0.00 O ATOM 63 CB LEU A 3 15.145 -1.383 3.834 1.00 0.00 C ATOM 64 CG LEU A 3 14.457 -2.667 3.369 1.00 0.00 C ATOM 65 CD1 LEU A 3 14.824 -2.980 1.928 1.00 0.00 C ATOM 66 CD2 LEU A 3 14.828 -3.829 4.277 1.00 0.00 C ATOM 0 H LEU A 3 13.281 0.492 4.890 1.00 0.00 H new ATOM 0 HA LEU A 3 14.867 -1.781 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 3 14.897 -0.584 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.224 -1.529 3.781 1.00 0.00 H new ATOM 0 HG LEU A 3 13.379 -2.517 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.324 -3.897 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.508 -2.158 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.903 -3.109 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.329 -4.735 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.908 -3.978 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.513 -3.609 5.297 1.00 0.00 H new ATOM 78 N ASP A 4 17.021 -0.177 5.750 1.00 0.00 N ATOM 79 CA ASP A 4 18.057 0.795 6.055 1.00 0.00 C ATOM 80 C ASP A 4 19.092 0.772 4.954 1.00 0.00 C ATOM 81 O ASP A 4 20.189 0.234 5.119 1.00 0.00 O ATOM 82 CB ASP A 4 18.716 0.514 7.410 1.00 0.00 C ATOM 83 CG ASP A 4 17.777 0.743 8.574 1.00 0.00 C ATOM 84 OD1 ASP A 4 17.586 1.911 8.970 1.00 0.00 O ATOM 85 OD2 ASP A 4 17.226 -0.243 9.105 1.00 0.00 O ATOM 0 H ASP A 4 17.368 -1.119 5.571 1.00 0.00 H new ATOM 0 HA ASP A 4 17.600 1.782 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 4 19.069 -0.517 7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 4 19.591 1.153 7.523 1.00 0.00 H new ATOM 90 N GLY A 5 18.719 1.320 3.811 1.00 0.00 N ATOM 91 CA GLY A 5 19.580 1.266 2.654 1.00 0.00 C ATOM 92 C GLY A 5 19.550 -0.099 2.002 1.00 0.00 C ATOM 93 O GLY A 5 20.573 -0.575 1.515 1.00 0.00 O ATOM 0 H GLY A 5 17.832 1.803 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 5 19.269 2.022 1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.601 1.507 2.948 1.00 0.00 H new ATOM 97 N ASP A 6 18.366 -0.723 2.009 1.00 0.00 N ATOM 98 CA ASP A 6 18.164 -2.051 1.415 1.00 0.00 C ATOM 99 C ASP A 6 18.864 -3.148 2.208 1.00 0.00 C ATOM 100 O ASP A 6 20.062 -3.382 2.061 1.00 0.00 O ATOM 101 CB ASP A 6 18.624 -2.095 -0.047 1.00 0.00 C ATOM 102 CG ASP A 6 18.434 -3.466 -0.671 1.00 0.00 C ATOM 103 OD1 ASP A 6 17.277 -3.851 -0.926 1.00 0.00 O ATOM 104 OD2 ASP A 6 19.444 -4.159 -0.928 1.00 0.00 O ATOM 0 H ASP A 6 17.524 -0.324 2.424 1.00 0.00 H new ATOM 0 HA ASP A 6 17.091 -2.237 1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 6 18.067 -1.356 -0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.676 -1.816 -0.103 1.00 0.00 H new ATOM 109 N LEU A 7 18.104 -3.805 3.068 1.00 0.00 N ATOM 110 CA LEU A 7 18.575 -4.979 3.777 1.00 0.00 C ATOM 111 C LEU A 7 17.584 -6.115 3.562 1.00 0.00 C ATOM 112 O LEU A 7 16.834 -6.477 4.466 1.00 0.00 O ATOM 113 CB LEU A 7 18.730 -4.687 5.275 1.00 0.00 C ATOM 114 CG LEU A 7 19.750 -3.602 5.624 1.00 0.00 C ATOM 115 CD1 LEU A 7 19.717 -3.303 7.114 1.00 0.00 C ATOM 116 CD2 LEU A 7 21.146 -4.028 5.200 1.00 0.00 C ATOM 0 H LEU A 7 17.145 -3.539 3.293 1.00 0.00 H new ATOM 0 HA LEU A 7 19.553 -5.263 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.759 -4.393 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.016 -5.609 5.781 1.00 0.00 H new ATOM 0 HG LEU A 7 19.487 -2.694 5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 7 20.449 -2.529 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.722 -2.957 7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 7 19.957 -4.208 7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 7 21.859 -3.244 5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 7 21.418 -4.949 5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 7 21.164 -4.197 4.123 1.00 0.00 H new ATOM 128 N LEU A 8 17.557 -6.640 2.342 1.00 0.00 N ATOM 129 CA LEU A 8 16.595 -7.671 1.976 1.00 0.00 C ATOM 130 C LEU A 8 16.827 -8.939 2.778 1.00 0.00 C ATOM 131 O LEU A 8 15.963 -9.352 3.552 1.00 0.00 O ATOM 132 CB LEU A 8 16.668 -7.983 0.478 1.00 0.00 C ATOM 133 CG LEU A 8 16.163 -6.874 -0.449 1.00 0.00 C ATOM 134 CD1 LEU A 8 16.336 -7.283 -1.903 1.00 0.00 C ATOM 135 CD2 LEU A 8 14.706 -6.554 -0.152 1.00 0.00 C ATOM 0 H LEU A 8 18.191 -6.368 1.590 1.00 0.00 H new ATOM 0 HA LEU A 8 15.600 -7.288 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 8 17.704 -8.205 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.090 -8.887 0.284 1.00 0.00 H new ATOM 0 HG LEU A 8 16.753 -5.975 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.973 -6.485 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.391 -7.464 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.768 -8.193 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.364 -5.764 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.099 -7.446 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.610 -6.222 0.882 1.00 0.00 H new ATOM 147 N LYS A 9 18.006 -9.530 2.598 1.00 0.00 N ATOM 148 CA LYS A 9 18.376 -10.773 3.268 1.00 0.00 C ATOM 149 C LYS A 9 17.311 -11.845 3.038 1.00 0.00 C ATOM 150 O LYS A 9 17.259 -12.458 1.971 1.00 0.00 O ATOM 151 CB LYS A 9 18.591 -10.538 4.765 1.00 0.00 C ATOM 152 CG LYS A 9 19.579 -9.427 5.069 1.00 0.00 C ATOM 153 CD LYS A 9 19.776 -9.249 6.562 1.00 0.00 C ATOM 154 CE LYS A 9 20.807 -8.176 6.862 1.00 0.00 C ATOM 155 NZ LYS A 9 21.071 -8.054 8.318 1.00 0.00 N ATOM 0 H LYS A 9 18.731 -9.160 1.983 1.00 0.00 H new ATOM 0 HA LYS A 9 19.315 -11.125 2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 9 17.634 -10.298 5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.944 -11.462 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.536 -9.652 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 9 19.222 -8.493 4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.826 -8.983 7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.093 -10.194 7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 9 21.736 -8.410 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 9 20.458 -7.219 6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 21.780 -7.311 8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.190 -7.806 8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.428 -8.960 8.683 1.00 0.00 H new ATOM 169 N ASP A 10 16.445 -12.043 4.023 1.00 0.00 N ATOM 170 CA ASP A 10 15.328 -12.957 3.877 1.00 0.00 C ATOM 171 C ASP A 10 14.077 -12.184 3.496 1.00 0.00 C ATOM 172 O ASP A 10 13.328 -11.713 4.355 1.00 0.00 O ATOM 173 CB ASP A 10 15.088 -13.767 5.157 1.00 0.00 C ATOM 174 CG ASP A 10 16.058 -14.921 5.308 1.00 0.00 C ATOM 175 OD1 ASP A 10 15.821 -15.986 4.696 1.00 0.00 O ATOM 176 OD2 ASP A 10 17.058 -14.777 6.037 1.00 0.00 O ATOM 0 H ASP A 10 16.498 -11.581 4.931 1.00 0.00 H new ATOM 0 HA ASP A 10 15.571 -13.664 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.176 -13.108 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.069 -14.153 5.152 1.00 0.00 H new ATOM 181 N LYS A 11 13.891 -12.017 2.198 1.00 0.00 N ATOM 182 CA LYS A 11 12.735 -11.316 1.665 1.00 0.00 C ATOM 183 C LYS A 11 11.744 -12.313 1.092 1.00 0.00 C ATOM 184 O LYS A 11 12.101 -13.467 0.849 1.00 0.00 O ATOM 185 CB LYS A 11 13.162 -10.321 0.585 1.00 0.00 C ATOM 186 CG LYS A 11 14.185 -10.882 -0.389 1.00 0.00 C ATOM 187 CD LYS A 11 13.912 -10.429 -1.812 1.00 0.00 C ATOM 188 CE LYS A 11 12.741 -11.181 -2.427 1.00 0.00 C ATOM 189 NZ LYS A 11 13.035 -12.630 -2.593 1.00 0.00 N ATOM 0 H LYS A 11 14.534 -12.362 1.486 1.00 0.00 H new ATOM 0 HA LYS A 11 12.258 -10.764 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.281 -10.001 0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.577 -9.434 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.184 -10.564 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.171 -11.971 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.702 -9.359 -1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.803 -10.583 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.861 -11.060 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.500 -10.746 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.377 -13.041 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.012 -12.750 -2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.922 -13.114 -1.679 1.00 0.00 H new ATOM 203 N LEU A 12 10.519 -11.850 0.852 1.00 0.00 N ATOM 204 CA LEU A 12 9.426 -12.713 0.405 1.00 0.00 C ATOM 205 C LEU A 12 9.180 -13.797 1.453 1.00 0.00 C ATOM 206 O LEU A 12 9.839 -14.839 1.470 1.00 0.00 O ATOM 207 CB LEU A 12 9.730 -13.321 -0.977 1.00 0.00 C ATOM 208 CG LEU A 12 8.514 -13.818 -1.779 1.00 0.00 C ATOM 209 CD1 LEU A 12 8.904 -14.059 -3.230 1.00 0.00 C ATOM 210 CD2 LEU A 12 7.936 -15.093 -1.182 1.00 0.00 C ATOM 0 H LEU A 12 10.256 -10.871 0.961 1.00 0.00 H new ATOM 0 HA LEU A 12 8.519 -12.118 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.252 -12.573 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.416 -14.157 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 12 7.748 -13.044 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.035 -14.410 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.265 -13.129 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.692 -14.811 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.079 -15.416 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.696 -15.875 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.619 -14.903 -0.157 1.00 0.00 H new ATOM 222 N LYS A 13 8.249 -13.522 2.349 1.00 0.00 N ATOM 223 CA LYS A 13 7.983 -14.405 3.471 1.00 0.00 C ATOM 224 C LYS A 13 6.831 -15.355 3.153 1.00 0.00 C ATOM 225 O LYS A 13 6.587 -15.681 1.987 1.00 0.00 O ATOM 226 CB LYS A 13 7.665 -13.573 4.718 1.00 0.00 C ATOM 227 CG LYS A 13 8.748 -12.561 5.065 1.00 0.00 C ATOM 228 CD LYS A 13 8.495 -11.924 6.421 1.00 0.00 C ATOM 229 CE LYS A 13 9.545 -10.878 6.758 1.00 0.00 C ATOM 230 NZ LYS A 13 9.407 -10.390 8.156 1.00 0.00 N ATOM 0 H LYS A 13 7.661 -12.689 2.321 1.00 0.00 H new ATOM 0 HA LYS A 13 8.871 -15.008 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.723 -13.047 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.520 -14.243 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.721 -13.053 5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.784 -11.787 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.507 -11.463 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.491 -12.696 7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.539 -11.302 6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.456 -10.038 6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.140 -9.678 8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.467 -9.963 8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.517 -11.187 8.814 1.00 0.00 H new ATOM 244 N LEU A 14 6.152 -15.809 4.200 1.00 0.00 N ATOM 245 CA LEU A 14 5.013 -16.698 4.084 1.00 0.00 C ATOM 246 C LEU A 14 3.967 -16.146 3.117 1.00 0.00 C ATOM 247 O LEU A 14 3.824 -14.928 2.974 1.00 0.00 O ATOM 248 CB LEU A 14 4.391 -16.873 5.467 1.00 0.00 C ATOM 249 CG LEU A 14 5.350 -17.326 6.569 1.00 0.00 C ATOM 250 CD1 LEU A 14 4.648 -17.316 7.918 1.00 0.00 C ATOM 251 CD2 LEU A 14 5.903 -18.708 6.264 1.00 0.00 C ATOM 0 H LEU A 14 6.383 -15.564 5.163 1.00 0.00 H new ATOM 0 HA LEU A 14 5.354 -17.656 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.943 -15.926 5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.582 -17.599 5.393 1.00 0.00 H new ATOM 0 HG LEU A 14 6.185 -16.627 6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.343 -17.641 8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.302 -16.307 8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.795 -17.994 7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.583 -19.012 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.082 -19.422 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.441 -18.683 5.317 1.00 0.00 H new ATOM 263 N PRO A 15 3.238 -17.038 2.423 1.00 0.00 N ATOM 264 CA PRO A 15 2.146 -16.650 1.523 1.00 0.00 C ATOM 265 C PRO A 15 1.137 -15.741 2.215 1.00 0.00 C ATOM 266 O PRO A 15 0.725 -16.021 3.340 1.00 0.00 O ATOM 267 CB PRO A 15 1.507 -17.988 1.154 1.00 0.00 C ATOM 268 CG PRO A 15 2.614 -18.964 1.282 1.00 0.00 C ATOM 269 CD PRO A 15 3.427 -18.500 2.451 1.00 0.00 C ATOM 0 HA PRO A 15 2.497 -16.082 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.681 -18.233 1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.105 -17.972 0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.231 -19.971 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.216 -18.995 0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.075 -18.935 3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.477 -18.774 2.347 1.00 0.00 H new ATOM 277 N VAL A 16 0.747 -14.673 1.512 1.00 0.00 N ATOM 278 CA VAL A 16 -0.079 -13.585 2.050 1.00 0.00 C ATOM 279 C VAL A 16 0.302 -13.208 3.477 1.00 0.00 C ATOM 280 O VAL A 16 -0.138 -13.794 4.470 1.00 0.00 O ATOM 281 CB VAL A 16 -1.605 -13.825 1.912 1.00 0.00 C ATOM 282 CG1 VAL A 16 -2.043 -15.144 2.524 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.390 -12.663 2.511 1.00 0.00 C ATOM 0 H VAL A 16 1.001 -14.537 0.534 1.00 0.00 H new ATOM 0 HA VAL A 16 0.147 -12.728 1.415 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.823 -13.883 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.119 -15.263 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.528 -15.965 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.797 -15.152 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.458 -12.852 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.144 -12.564 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.130 -11.741 1.990 1.00 0.00 H new ATOM 293 N ILE A 17 1.133 -12.196 3.537 1.00 0.00 N ATOM 294 CA ILE A 17 1.657 -11.673 4.781 1.00 0.00 C ATOM 295 C ILE A 17 0.528 -11.002 5.567 1.00 0.00 C ATOM 296 O ILE A 17 -0.475 -10.588 4.979 1.00 0.00 O ATOM 297 CB ILE A 17 2.801 -10.671 4.481 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.857 -11.333 3.592 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.448 -10.167 5.753 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.974 -10.403 3.168 1.00 0.00 C ATOM 0 H ILE A 17 1.471 -11.703 2.711 1.00 0.00 H new ATOM 0 HA ILE A 17 2.062 -12.484 5.386 1.00 0.00 H new ATOM 0 HB ILE A 17 2.367 -9.817 3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.287 -12.181 4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.370 -11.730 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.245 -9.467 5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.701 -9.663 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.864 -11.008 6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.681 -10.946 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.558 -9.567 2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.488 -10.025 4.052 1.00 0.00 H new ATOM 312 N ASP A 18 0.695 -10.908 6.885 1.00 0.00 N ATOM 313 CA ASP A 18 -0.353 -10.415 7.782 1.00 0.00 C ATOM 314 C ASP A 18 -0.942 -9.092 7.289 1.00 0.00 C ATOM 315 O ASP A 18 -0.215 -8.200 6.838 1.00 0.00 O ATOM 316 CB ASP A 18 0.211 -10.235 9.197 1.00 0.00 C ATOM 317 CG ASP A 18 -0.860 -10.280 10.264 1.00 0.00 C ATOM 318 OD1 ASP A 18 -1.802 -9.474 10.201 1.00 0.00 O ATOM 319 OD2 ASP A 18 -0.749 -11.120 11.185 1.00 0.00 O ATOM 0 H ASP A 18 1.558 -11.170 7.362 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.153 -11.155 7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.946 -11.016 9.393 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.736 -9.282 9.256 1.00 0.00 H new ATOM 324 N ASN A 19 -2.260 -8.970 7.382 1.00 0.00 N ATOM 325 CA ASN A 19 -2.956 -7.757 6.971 1.00 0.00 C ATOM 326 C ASN A 19 -2.672 -6.627 7.954 1.00 0.00 C ATOM 327 O ASN A 19 -2.841 -5.451 7.631 1.00 0.00 O ATOM 328 CB ASN A 19 -4.472 -7.996 6.837 1.00 0.00 C ATOM 329 CG ASN A 19 -5.117 -8.580 8.086 1.00 0.00 C ATOM 330 OD1 ASN A 19 -4.497 -9.336 8.828 1.00 0.00 O ATOM 331 ND2 ASN A 19 -6.375 -8.246 8.320 1.00 0.00 N ATOM 0 H ASN A 19 -2.873 -9.702 7.741 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.581 -7.469 5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.959 -7.051 6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.651 -8.669 5.999 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.858 -8.619 9.137 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.862 -7.615 7.683 1.00 0.00 H new ATOM 338 N LEU A 20 -2.230 -6.991 9.150 1.00 0.00 N ATOM 339 CA LEU A 20 -1.776 -6.026 10.131 1.00 0.00 C ATOM 340 C LEU A 20 -0.397 -5.503 9.750 1.00 0.00 C ATOM 341 O LEU A 20 -0.148 -4.299 9.792 1.00 0.00 O ATOM 342 CB LEU A 20 -1.716 -6.668 11.514 1.00 0.00 C ATOM 343 CG LEU A 20 -0.939 -5.869 12.553 1.00 0.00 C ATOM 344 CD1 LEU A 20 -1.683 -4.593 12.919 1.00 0.00 C ATOM 345 CD2 LEU A 20 -0.664 -6.726 13.775 1.00 0.00 C ATOM 0 H LEU A 20 -2.178 -7.960 9.463 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.481 -5.195 10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.734 -6.816 11.876 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.264 -7.655 11.422 1.00 0.00 H new ATOM 0 HG LEU A 20 0.020 -5.575 12.126 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.110 -4.038 13.662 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.812 -3.979 12.028 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.660 -4.847 13.330 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.108 -6.144 14.510 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.608 -7.053 14.210 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.078 -7.597 13.484 1.00 0.00 H new ATOM 357 N PHE A 21 0.495 -6.420 9.375 1.00 0.00 N ATOM 358 CA PHE A 21 1.827 -6.044 8.917 1.00 0.00 C ATOM 359 C PHE A 21 1.703 -5.130 7.709 1.00 0.00 C ATOM 360 O PHE A 21 2.427 -4.140 7.576 1.00 0.00 O ATOM 361 CB PHE A 21 2.647 -7.288 8.557 1.00 0.00 C ATOM 362 CG PHE A 21 4.061 -6.981 8.146 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.413 -6.929 6.806 1.00 0.00 C ATOM 364 CD2 PHE A 21 5.037 -6.740 9.101 1.00 0.00 C ATOM 365 CE1 PHE A 21 5.710 -6.643 6.427 1.00 0.00 C ATOM 366 CE2 PHE A 21 6.337 -6.454 8.726 1.00 0.00 C ATOM 367 CZ PHE A 21 6.673 -6.405 7.387 1.00 0.00 C ATOM 0 H PHE A 21 0.318 -7.424 9.380 1.00 0.00 H new ATOM 0 HA PHE A 21 2.344 -5.519 9.720 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.665 -7.961 9.414 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.149 -7.818 7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.664 -7.114 6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.779 -6.776 10.149 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.971 -6.606 5.380 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.089 -6.269 9.479 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.687 -6.181 7.092 1.00 0.00 H new ATOM 377 N GLY A 22 0.761 -5.466 6.838 1.00 0.00 N ATOM 378 CA GLY A 22 0.458 -4.614 5.716 1.00 0.00 C ATOM 379 C GLY A 22 -0.065 -3.273 6.176 1.00 0.00 C ATOM 380 O GLY A 22 0.403 -2.235 5.727 1.00 0.00 O ATOM 0 H GLY A 22 0.202 -6.317 6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.354 -4.471 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.282 -5.097 5.078 1.00 0.00 H new ATOM 384 N LYS A 23 -1.016 -3.302 7.102 1.00 0.00 N ATOM 385 CA LYS A 23 -1.619 -2.085 7.629 1.00 0.00 C ATOM 386 C LYS A 23 -0.546 -1.154 8.182 1.00 0.00 C ATOM 387 O LYS A 23 -0.625 0.059 8.031 1.00 0.00 O ATOM 388 CB LYS A 23 -2.615 -2.421 8.736 1.00 0.00 C ATOM 389 CG LYS A 23 -3.846 -1.528 8.723 1.00 0.00 C ATOM 390 CD LYS A 23 -4.790 -1.883 7.586 1.00 0.00 C ATOM 391 CE LYS A 23 -5.488 -3.209 7.838 1.00 0.00 C ATOM 392 NZ LYS A 23 -6.367 -3.149 9.036 1.00 0.00 N ATOM 0 H LYS A 23 -1.388 -4.162 7.505 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.142 -1.585 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.927 -3.460 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.119 -2.331 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.371 -1.620 9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.538 -0.487 8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.534 -1.095 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.232 -1.936 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.081 -3.480 6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.743 -3.993 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.045 -3.937 9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.787 -3.221 9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.885 -2.247 9.042 1.00 0.00 H new ATOM 406 N GLU A 24 0.449 -1.747 8.823 1.00 0.00 N ATOM 407 CA GLU A 24 1.589 -1.036 9.349 1.00 0.00 C ATOM 408 C GLU A 24 2.327 -0.276 8.256 1.00 0.00 C ATOM 409 O GLU A 24 2.679 0.891 8.425 1.00 0.00 O ATOM 410 CB GLU A 24 2.510 -2.050 9.985 1.00 0.00 C ATOM 411 CG GLU A 24 2.464 -2.044 11.489 1.00 0.00 C ATOM 412 CD GLU A 24 3.168 -0.844 12.084 1.00 0.00 C ATOM 413 OE1 GLU A 24 2.481 0.069 12.594 1.00 0.00 O ATOM 414 OE2 GLU A 24 4.414 -0.797 12.027 1.00 0.00 O ATOM 0 H GLU A 24 0.481 -2.752 8.992 1.00 0.00 H new ATOM 0 HA GLU A 24 1.252 -0.301 10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.246 -3.045 9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.532 -1.855 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.425 -2.052 11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.925 -2.956 11.867 1.00 0.00 H new ATOM 421 N LEU A 25 2.584 -0.960 7.151 1.00 0.00 N ATOM 422 CA LEU A 25 3.200 -0.341 5.985 1.00 0.00 C ATOM 423 C LEU A 25 2.364 0.845 5.516 1.00 0.00 C ATOM 424 O LEU A 25 2.833 1.986 5.464 1.00 0.00 O ATOM 425 CB LEU A 25 3.289 -1.341 4.837 1.00 0.00 C ATOM 426 CG LEU A 25 3.894 -2.697 5.168 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.653 -3.662 4.019 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.376 -2.567 5.482 1.00 0.00 C ATOM 0 H LEU A 25 2.374 -1.952 7.037 1.00 0.00 H new ATOM 0 HA LEU A 25 4.199 -0.010 6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.285 -1.501 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.876 -0.891 4.036 1.00 0.00 H new ATOM 0 HG LEU A 25 3.408 -3.094 6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.088 -4.632 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.581 -3.775 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.117 -3.272 3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.786 -3.550 5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.896 -2.153 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.510 -1.905 6.338 1.00 0.00 H new ATOM 440 N LEU A 26 1.108 0.556 5.194 1.00 0.00 N ATOM 441 CA LEU A 26 0.196 1.552 4.647 1.00 0.00 C ATOM 442 C LEU A 26 0.034 2.722 5.606 1.00 0.00 C ATOM 443 O LEU A 26 -0.108 3.859 5.183 1.00 0.00 O ATOM 444 CB LEU A 26 -1.177 0.938 4.340 1.00 0.00 C ATOM 445 CG LEU A 26 -1.255 0.064 3.081 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.361 -1.144 3.193 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.692 -0.353 2.816 1.00 0.00 C ATOM 0 H LEU A 26 0.696 -0.370 5.304 1.00 0.00 H new ATOM 0 HA LEU A 26 0.630 1.916 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.484 0.337 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.901 1.747 4.243 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.902 0.657 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.441 -1.741 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.672 -0.821 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.667 -1.745 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.732 -0.972 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.069 -0.921 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.308 0.535 2.671 1.00 0.00 H new ATOM 459 N ASP A 27 0.067 2.425 6.895 1.00 0.00 N ATOM 460 CA ASP A 27 -0.018 3.453 7.938 1.00 0.00 C ATOM 461 C ASP A 27 1.152 4.438 7.850 1.00 0.00 C ATOM 462 O ASP A 27 0.998 5.630 8.122 1.00 0.00 O ATOM 463 CB ASP A 27 -0.060 2.790 9.319 1.00 0.00 C ATOM 464 CG ASP A 27 0.037 3.776 10.467 1.00 0.00 C ATOM 465 OD1 ASP A 27 -0.874 4.615 10.626 1.00 0.00 O ATOM 466 OD2 ASP A 27 1.014 3.686 11.240 1.00 0.00 O ATOM 0 H ASP A 27 0.153 1.474 7.253 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.936 4.020 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.987 2.225 9.414 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.759 2.075 9.395 1.00 0.00 H new ATOM 471 N LYS A 28 2.318 3.943 7.450 1.00 0.00 N ATOM 472 CA LYS A 28 3.498 4.788 7.286 1.00 0.00 C ATOM 473 C LYS A 28 3.368 5.675 6.054 1.00 0.00 C ATOM 474 O LYS A 28 3.969 6.748 5.979 1.00 0.00 O ATOM 475 CB LYS A 28 4.754 3.929 7.154 1.00 0.00 C ATOM 476 CG LYS A 28 5.050 3.091 8.380 1.00 0.00 C ATOM 477 CD LYS A 28 6.212 2.155 8.144 1.00 0.00 C ATOM 478 CE LYS A 28 6.487 1.314 9.375 1.00 0.00 C ATOM 479 NZ LYS A 28 5.239 0.761 9.961 1.00 0.00 N ATOM 0 H LYS A 28 2.473 2.959 7.233 1.00 0.00 H new ATOM 0 HA LYS A 28 3.578 5.420 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.644 3.270 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.607 4.577 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.273 3.744 9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.166 2.514 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.995 1.506 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.101 2.730 7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.158 0.496 9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.000 1.920 10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.467 -0.074 10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.787 1.482 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.588 0.487 9.197 1.00 0.00 H new ATOM 493 N PHE A 29 2.599 5.214 5.079 1.00 0.00 N ATOM 494 CA PHE A 29 2.415 5.969 3.845 1.00 0.00 C ATOM 495 C PHE A 29 1.045 6.625 3.791 1.00 0.00 C ATOM 496 O PHE A 29 0.700 7.264 2.804 1.00 0.00 O ATOM 497 CB PHE A 29 2.614 5.060 2.634 1.00 0.00 C ATOM 498 CG PHE A 29 3.971 4.430 2.605 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.172 3.177 3.151 1.00 0.00 C ATOM 500 CD2 PHE A 29 5.049 5.099 2.054 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.421 2.599 3.151 1.00 0.00 C ATOM 502 CE2 PHE A 29 6.302 4.524 2.046 1.00 0.00 C ATOM 503 CZ PHE A 29 6.488 3.273 2.596 1.00 0.00 C ATOM 0 H PHE A 29 2.095 4.328 5.115 1.00 0.00 H new ATOM 0 HA PHE A 29 3.164 6.760 3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.855 4.278 2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.466 5.638 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.338 2.644 3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.908 6.081 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.565 1.620 3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.137 5.052 1.610 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.469 2.822 2.592 1.00 0.00 H new ATOM 513 N GLN A 30 0.287 6.471 4.864 1.00 0.00 N ATOM 514 CA GLN A 30 -1.058 6.988 4.972 1.00 0.00 C ATOM 515 C GLN A 30 -1.127 8.465 4.616 1.00 0.00 C ATOM 516 O GLN A 30 -1.958 8.872 3.805 1.00 0.00 O ATOM 517 CB GLN A 30 -1.519 6.740 6.400 1.00 0.00 C ATOM 518 CG GLN A 30 -2.980 6.968 6.642 1.00 0.00 C ATOM 519 CD GLN A 30 -3.308 8.384 7.074 1.00 0.00 C ATOM 520 OE1 GLN A 30 -3.256 8.706 8.260 1.00 0.00 O ATOM 521 NE2 GLN A 30 -3.670 9.233 6.129 1.00 0.00 N ATOM 0 H GLN A 30 0.600 5.973 5.698 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.713 6.481 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.277 5.712 6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.950 7.388 7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.531 6.738 5.730 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.326 6.274 7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.701 8.930 5.156 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.918 10.192 6.373 1.00 0.00 H new ATOM 530 N ASP A 31 -0.253 9.257 5.220 1.00 0.00 N ATOM 531 CA ASP A 31 -0.213 10.694 4.964 1.00 0.00 C ATOM 532 C ASP A 31 0.006 10.975 3.480 1.00 0.00 C ATOM 533 O ASP A 31 -0.652 11.835 2.898 1.00 0.00 O ATOM 534 CB ASP A 31 0.891 11.352 5.793 1.00 0.00 C ATOM 535 CG ASP A 31 0.918 12.859 5.641 1.00 0.00 C ATOM 536 OD1 ASP A 31 1.799 13.378 4.926 1.00 0.00 O ATOM 537 OD2 ASP A 31 0.062 13.537 6.248 1.00 0.00 O ATOM 0 H ASP A 31 0.441 8.930 5.893 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.174 11.118 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.750 11.100 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.856 10.944 5.494 1.00 0.00 H new ATOM 542 N ASP A 32 0.900 10.212 2.860 1.00 0.00 N ATOM 543 CA ASP A 32 1.204 10.381 1.444 1.00 0.00 C ATOM 544 C ASP A 32 0.052 9.884 0.585 1.00 0.00 C ATOM 545 O ASP A 32 -0.299 10.500 -0.411 1.00 0.00 O ATOM 546 CB ASP A 32 2.493 9.646 1.064 1.00 0.00 C ATOM 547 CG ASP A 32 3.742 10.399 1.478 1.00 0.00 C ATOM 548 OD1 ASP A 32 4.216 10.200 2.617 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.260 11.191 0.664 1.00 0.00 O ATOM 0 H ASP A 32 1.428 9.469 3.317 1.00 0.00 H new ATOM 0 HA ASP A 32 1.348 11.446 1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.496 8.661 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.511 9.487 -0.014 1.00 0.00 H new ATOM 554 N ILE A 33 -0.549 8.776 0.987 1.00 0.00 N ATOM 555 CA ILE A 33 -1.677 8.204 0.263 1.00 0.00 C ATOM 556 C ILE A 33 -2.915 9.099 0.404 1.00 0.00 C ATOM 557 O ILE A 33 -3.831 9.063 -0.416 1.00 0.00 O ATOM 558 CB ILE A 33 -1.971 6.766 0.766 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.758 5.872 0.498 1.00 0.00 C ATOM 560 CG2 ILE A 33 -3.204 6.187 0.089 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.836 4.513 1.161 1.00 0.00 C ATOM 0 H ILE A 33 -0.273 8.250 1.816 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.419 8.147 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.166 6.809 1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.652 5.734 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.140 6.383 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.384 5.179 0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.068 6.815 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.045 6.152 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.060 3.940 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.910 4.639 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.714 3.980 0.797 1.00 0.00 H new ATOM 573 N LYS A 34 -2.916 9.931 1.428 1.00 0.00 N ATOM 574 CA LYS A 34 -3.999 10.870 1.648 1.00 0.00 C ATOM 575 C LYS A 34 -3.704 12.175 0.932 1.00 0.00 C ATOM 576 O LYS A 34 -4.603 12.859 0.447 1.00 0.00 O ATOM 577 CB LYS A 34 -4.196 11.098 3.136 1.00 0.00 C ATOM 578 CG LYS A 34 -5.389 11.983 3.458 1.00 0.00 C ATOM 579 CD LYS A 34 -5.789 11.857 4.911 1.00 0.00 C ATOM 580 CE LYS A 34 -6.915 12.816 5.274 1.00 0.00 C ATOM 581 NZ LYS A 34 -8.137 12.587 4.457 1.00 0.00 N ATOM 0 H LYS A 34 -2.173 9.975 2.125 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.923 10.457 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.324 10.135 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.295 11.551 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.145 13.022 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.230 11.709 2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.104 10.833 5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.924 12.056 5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.160 12.702 6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.574 13.842 5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.921 13.154 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.954 12.868 3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.392 11.579 4.488 1.00 0.00 H new ATOM 595 N ASP A 35 -2.434 12.507 0.866 1.00 0.00 N ATOM 596 CA ASP A 35 -1.983 13.650 0.088 1.00 0.00 C ATOM 597 C ASP A 35 -2.188 13.391 -1.401 1.00 0.00 C ATOM 598 O ASP A 35 -2.691 14.242 -2.133 1.00 0.00 O ATOM 599 CB ASP A 35 -0.506 13.927 0.361 1.00 0.00 C ATOM 600 CG ASP A 35 0.006 15.161 -0.358 1.00 0.00 C ATOM 601 OD1 ASP A 35 0.267 15.085 -1.578 1.00 0.00 O ATOM 602 OD2 ASP A 35 0.166 16.210 0.300 1.00 0.00 O ATOM 0 H ASP A 35 -1.688 12.001 1.343 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.570 14.520 0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.357 14.050 1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.083 13.063 0.054 1.00 0.00 H new ATOM 607 N LYS A 36 -1.812 12.193 -1.833 1.00 0.00 N ATOM 608 CA LYS A 36 -1.811 11.842 -3.245 1.00 0.00 C ATOM 609 C LYS A 36 -3.169 11.328 -3.720 1.00 0.00 C ATOM 610 O LYS A 36 -3.426 11.249 -4.921 1.00 0.00 O ATOM 611 CB LYS A 36 -0.708 10.825 -3.521 1.00 0.00 C ATOM 612 CG LYS A 36 0.667 11.370 -3.195 1.00 0.00 C ATOM 613 CD LYS A 36 1.695 10.277 -3.195 1.00 0.00 C ATOM 614 CE LYS A 36 3.002 10.728 -2.557 1.00 0.00 C ATOM 615 NZ LYS A 36 3.565 11.937 -3.212 1.00 0.00 N ATOM 0 H LYS A 36 -1.501 11.442 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.613 12.750 -3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.890 9.926 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.741 10.531 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.942 12.132 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.647 11.855 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.307 9.413 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.883 9.955 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.835 10.936 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.728 9.917 -2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.522 12.115 -2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.609 11.786 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.958 12.757 -3.008 1.00 0.00 H new ATOM 629 N TYR A 37 -4.034 10.974 -2.780 1.00 0.00 N ATOM 630 CA TYR A 37 -5.382 10.525 -3.115 1.00 0.00 C ATOM 631 C TYR A 37 -6.377 11.094 -2.116 1.00 0.00 C ATOM 632 O TYR A 37 -7.315 11.802 -2.478 1.00 0.00 O ATOM 633 CB TYR A 37 -5.480 8.995 -3.104 1.00 0.00 C ATOM 634 CG TYR A 37 -4.491 8.299 -4.010 1.00 0.00 C ATOM 635 CD1 TYR A 37 -4.765 8.108 -5.358 1.00 0.00 C ATOM 636 CD2 TYR A 37 -3.283 7.830 -3.511 1.00 0.00 C ATOM 637 CE1 TYR A 37 -3.862 7.469 -6.184 1.00 0.00 C ATOM 638 CE2 TYR A 37 -2.375 7.192 -4.329 1.00 0.00 C ATOM 639 CZ TYR A 37 -2.669 7.013 -5.666 1.00 0.00 C ATOM 640 OH TYR A 37 -1.766 6.379 -6.486 1.00 0.00 O ATOM 0 H TYR A 37 -3.829 10.988 -1.781 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.613 10.880 -4.119 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.331 8.641 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.489 8.706 -3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.699 8.465 -5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.051 7.967 -2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.089 7.327 -7.230 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.439 6.834 -3.926 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.852 6.727 -7.398 1.00 0.00 H new ATOM 650 N GLY A 38 -6.147 10.789 -0.853 1.00 0.00 N ATOM 651 CA GLY A 38 -7.055 11.220 0.193 1.00 0.00 C ATOM 652 C GLY A 38 -7.585 10.062 1.008 1.00 0.00 C ATOM 653 O GLY A 38 -8.732 10.076 1.448 1.00 0.00 O ATOM 0 H GLY A 38 -5.345 10.248 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.540 11.919 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.890 11.759 -0.254 1.00 0.00 H new ATOM 657 N VAL A 39 -6.744 9.062 1.218 1.00 0.00 N ATOM 658 CA VAL A 39 -7.155 7.853 1.904 1.00 0.00 C ATOM 659 C VAL A 39 -6.540 7.780 3.299 1.00 0.00 C ATOM 660 O VAL A 39 -5.413 8.222 3.514 1.00 0.00 O ATOM 661 CB VAL A 39 -6.715 6.613 1.118 1.00 0.00 C ATOM 662 CG1 VAL A 39 -7.509 5.396 1.547 1.00 0.00 C ATOM 663 CG2 VAL A 39 -6.856 6.838 -0.381 1.00 0.00 C ATOM 0 H VAL A 39 -5.768 9.067 0.921 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.242 7.878 1.984 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.662 6.434 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.180 4.527 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.349 5.214 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.569 5.570 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.537 5.943 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.898 7.052 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.234 7.681 -0.682 1.00 0.00 H new ATOM 673 N ASP A 40 -7.280 7.203 4.233 1.00 0.00 N ATOM 674 CA ASP A 40 -6.802 7.042 5.607 1.00 0.00 C ATOM 675 C ASP A 40 -6.247 5.631 5.813 1.00 0.00 C ATOM 676 O ASP A 40 -5.921 5.224 6.923 1.00 0.00 O ATOM 677 CB ASP A 40 -7.942 7.331 6.588 1.00 0.00 C ATOM 678 CG ASP A 40 -7.484 7.421 8.029 1.00 0.00 C ATOM 679 OD1 ASP A 40 -8.043 6.701 8.878 1.00 0.00 O ATOM 680 OD2 ASP A 40 -6.580 8.221 8.323 1.00 0.00 O ATOM 0 H ASP A 40 -8.217 6.836 4.069 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.996 7.752 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.424 8.268 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.694 6.547 6.501 1.00 0.00 H new ATOM 685 N THR A 41 -6.136 4.921 4.694 1.00 0.00 N ATOM 686 CA THR A 41 -5.628 3.541 4.588 1.00 0.00 C ATOM 687 C THR A 41 -6.401 2.493 5.405 1.00 0.00 C ATOM 688 O THR A 41 -6.522 1.350 4.971 1.00 0.00 O ATOM 689 CB THR A 41 -4.122 3.425 4.895 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.819 3.872 6.222 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.305 4.218 3.887 1.00 0.00 C ATOM 0 H THR A 41 -6.409 5.303 3.789 1.00 0.00 H new ATOM 0 HA THR A 41 -5.798 3.307 3.537 1.00 0.00 H new ATOM 0 HB THR A 41 -3.857 2.370 4.820 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.652 4.081 6.695 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.245 4.122 4.122 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.490 3.832 2.884 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.593 5.268 3.931 1.00 0.00 H new ATOM 699 N LYS A 42 -6.925 2.865 6.564 1.00 0.00 N ATOM 700 CA LYS A 42 -7.653 1.930 7.413 1.00 0.00 C ATOM 701 C LYS A 42 -8.903 1.421 6.698 1.00 0.00 C ATOM 702 O LYS A 42 -9.357 0.302 6.928 1.00 0.00 O ATOM 703 CB LYS A 42 -8.048 2.618 8.718 1.00 0.00 C ATOM 704 CG LYS A 42 -9.191 3.604 8.553 1.00 0.00 C ATOM 705 CD LYS A 42 -9.631 4.204 9.872 1.00 0.00 C ATOM 706 CE LYS A 42 -10.833 5.115 9.676 1.00 0.00 C ATOM 707 NZ LYS A 42 -10.603 6.104 8.591 1.00 0.00 N ATOM 0 H LYS A 42 -6.860 3.811 6.940 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.006 1.081 7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.333 1.861 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.181 3.141 9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.883 4.403 7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.037 3.100 8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.883 3.408 10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.809 4.768 10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.711 4.513 9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.047 5.640 10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.296 6.875 8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.642 6.493 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.710 5.637 7.668 1.00 0.00 H new ATOM 721 N ASP A 43 -9.442 2.260 5.825 1.00 0.00 N ATOM 722 CA ASP A 43 -10.637 1.950 5.078 1.00 0.00 C ATOM 723 C ASP A 43 -10.345 0.959 3.959 1.00 0.00 C ATOM 724 O ASP A 43 -11.258 0.360 3.393 1.00 0.00 O ATOM 725 CB ASP A 43 -11.203 3.243 4.501 1.00 0.00 C ATOM 726 CG ASP A 43 -11.682 4.201 5.575 1.00 0.00 C ATOM 727 OD1 ASP A 43 -12.902 4.229 5.848 1.00 0.00 O ATOM 728 OD2 ASP A 43 -10.842 4.923 6.156 1.00 0.00 O ATOM 0 H ASP A 43 -9.054 3.180 5.619 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.364 1.488 5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.438 3.732 3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.032 3.007 3.834 1.00 0.00 H new ATOM 733 N LEU A 44 -9.068 0.785 3.652 1.00 0.00 N ATOM 734 CA LEU A 44 -8.653 -0.107 2.590 1.00 0.00 C ATOM 735 C LEU A 44 -8.623 -1.540 3.088 1.00 0.00 C ATOM 736 O LEU A 44 -7.965 -1.849 4.083 1.00 0.00 O ATOM 737 CB LEU A 44 -7.267 0.284 2.089 1.00 0.00 C ATOM 738 CG LEU A 44 -7.115 1.743 1.661 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.680 2.030 1.259 1.00 0.00 C ATOM 740 CD2 LEU A 44 -8.065 2.063 0.516 1.00 0.00 C ATOM 0 H LEU A 44 -8.299 1.256 4.130 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.369 -0.027 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.542 0.076 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.011 -0.354 1.243 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.370 2.381 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.589 3.073 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.020 1.838 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.400 1.385 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.944 3.106 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.840 1.419 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.093 1.893 0.838 1.00 0.00 H new ATOM 752 N LYS A 45 -9.333 -2.408 2.399 1.00 0.00 N ATOM 753 CA LYS A 45 -9.332 -3.812 2.726 1.00 0.00 C ATOM 754 C LYS A 45 -8.104 -4.471 2.129 1.00 0.00 C ATOM 755 O LYS A 45 -8.048 -4.727 0.925 1.00 0.00 O ATOM 756 CB LYS A 45 -10.612 -4.473 2.209 1.00 0.00 C ATOM 757 CG LYS A 45 -10.600 -5.987 2.300 1.00 0.00 C ATOM 758 CD LYS A 45 -11.958 -6.578 1.951 1.00 0.00 C ATOM 759 CE LYS A 45 -11.914 -8.100 1.866 1.00 0.00 C ATOM 760 NZ LYS A 45 -11.477 -8.730 3.142 1.00 0.00 N ATOM 0 H LYS A 45 -9.921 -2.160 1.604 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.301 -3.933 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.461 -4.091 2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.766 -4.182 1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.844 -6.387 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.319 -6.290 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.688 -6.278 2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.296 -6.171 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.902 -8.474 1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.235 -8.397 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.545 -9.765 3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.492 -8.462 3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.088 -8.404 3.917 1.00 0.00 H new ATOM 774 N ILE A 46 -7.102 -4.700 2.962 1.00 0.00 N ATOM 775 CA ILE A 46 -5.891 -5.351 2.509 1.00 0.00 C ATOM 776 C ILE A 46 -6.167 -6.814 2.201 1.00 0.00 C ATOM 777 O ILE A 46 -6.488 -7.610 3.083 1.00 0.00 O ATOM 778 CB ILE A 46 -4.737 -5.221 3.521 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.381 -3.738 3.704 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.530 -6.020 3.038 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.226 -3.480 4.647 1.00 0.00 C ATOM 0 H ILE A 46 -7.106 -4.445 3.950 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.572 -4.843 1.599 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.046 -5.624 4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.140 -3.313 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.260 -3.210 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.718 -5.923 3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.805 -7.070 2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.204 -5.638 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.045 -2.407 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.469 -3.871 5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.331 -3.976 4.270 1.00 0.00 H new ATOM 793 N LEU A 47 -6.049 -7.137 0.929 1.00 0.00 N ATOM 794 CA LEU A 47 -6.382 -8.448 0.414 1.00 0.00 C ATOM 795 C LEU A 47 -5.205 -9.398 0.569 1.00 0.00 C ATOM 796 O LEU A 47 -5.379 -10.567 0.913 1.00 0.00 O ATOM 797 CB LEU A 47 -6.741 -8.321 -1.065 1.00 0.00 C ATOM 798 CG LEU A 47 -7.726 -7.197 -1.395 1.00 0.00 C ATOM 799 CD1 LEU A 47 -7.908 -7.073 -2.897 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.067 -7.445 -0.723 1.00 0.00 C ATOM 0 H LEU A 47 -5.715 -6.488 0.216 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.227 -8.848 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.825 -8.160 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.165 -9.267 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.315 -6.262 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.612 -6.269 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.948 -6.850 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.295 -8.011 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.753 -6.635 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.481 -8.390 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.930 -7.488 0.358 1.00 0.00 H new ATOM 812 N LYS A 48 -4.007 -8.887 0.318 1.00 0.00 N ATOM 813 CA LYS A 48 -2.815 -9.713 0.331 1.00 0.00 C ATOM 814 C LYS A 48 -1.558 -8.873 0.496 1.00 0.00 C ATOM 815 O LYS A 48 -1.106 -8.222 -0.446 1.00 0.00 O ATOM 816 CB LYS A 48 -2.714 -10.511 -0.969 1.00 0.00 C ATOM 817 CG LYS A 48 -1.752 -11.685 -0.880 1.00 0.00 C ATOM 818 CD LYS A 48 -1.789 -12.553 -2.127 1.00 0.00 C ATOM 819 CE LYS A 48 -1.089 -11.886 -3.300 1.00 0.00 C ATOM 820 NZ LYS A 48 0.387 -11.855 -3.123 1.00 0.00 N ATOM 0 H LYS A 48 -3.839 -7.904 0.103 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.895 -10.392 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.703 -10.880 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.393 -9.847 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.739 -11.312 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.001 -12.292 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.314 -13.511 -1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.825 -12.763 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.333 -12.419 -4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.462 -10.868 -3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.819 -11.318 -3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.619 -11.398 -2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.757 -12.827 -3.125 1.00 0.00 H new ATOM 834 N THR A 49 -1.001 -8.879 1.690 1.00 0.00 N ATOM 835 CA THR A 49 0.287 -8.250 1.913 1.00 0.00 C ATOM 836 C THR A 49 1.377 -9.157 1.361 1.00 0.00 C ATOM 837 O THR A 49 1.459 -10.321 1.736 1.00 0.00 O ATOM 838 CB THR A 49 0.545 -8.009 3.411 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.612 -7.428 4.027 1.00 0.00 O ATOM 840 CG2 THR A 49 1.743 -7.092 3.610 1.00 0.00 C ATOM 0 H THR A 49 -1.416 -9.309 2.517 1.00 0.00 H new ATOM 0 HA THR A 49 0.291 -7.284 1.408 1.00 0.00 H new ATOM 0 HB THR A 49 0.757 -8.971 3.878 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.601 -7.619 4.988 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.908 -6.935 4.676 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.629 -7.550 3.170 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.552 -6.134 3.127 1.00 0.00 H new ATOM 848 N SER A 50 2.180 -8.663 0.439 1.00 0.00 N ATOM 849 CA SER A 50 3.250 -9.470 -0.126 1.00 0.00 C ATOM 850 C SER A 50 4.343 -8.581 -0.708 1.00 0.00 C ATOM 851 O SER A 50 4.322 -7.363 -0.530 1.00 0.00 O ATOM 852 CB SER A 50 2.701 -10.381 -1.234 1.00 0.00 C ATOM 853 OG SER A 50 1.625 -11.180 -0.770 1.00 0.00 O ATOM 0 H SER A 50 2.115 -7.716 0.066 1.00 0.00 H new ATOM 0 HA SER A 50 3.671 -10.080 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.366 -9.772 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.499 -11.024 -1.605 1.00 0.00 H new ATOM 0 HG SER A 50 1.653 -11.230 0.208 1.00 0.00 H new ATOM 859 N GLU A 51 5.293 -9.204 -1.391 1.00 0.00 N ATOM 860 CA GLU A 51 6.292 -8.486 -2.162 1.00 0.00 C ATOM 861 C GLU A 51 6.705 -9.344 -3.348 1.00 0.00 C ATOM 862 O GLU A 51 6.201 -10.456 -3.520 1.00 0.00 O ATOM 863 CB GLU A 51 7.527 -8.144 -1.312 1.00 0.00 C ATOM 864 CG GLU A 51 8.425 -9.333 -1.006 1.00 0.00 C ATOM 865 CD GLU A 51 9.752 -8.916 -0.401 1.00 0.00 C ATOM 866 OE1 GLU A 51 9.927 -9.079 0.824 1.00 0.00 O ATOM 867 OE2 GLU A 51 10.626 -8.414 -1.142 1.00 0.00 O ATOM 0 H GLU A 51 5.391 -10.219 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 51 5.858 -7.546 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.113 -7.386 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.196 -7.702 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.911 -10.005 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.607 -9.893 -1.923 1.00 0.00 H new ATOM 874 N ASP A 52 7.594 -8.825 -4.170 1.00 0.00 N ATOM 875 CA ASP A 52 8.191 -9.612 -5.237 1.00 0.00 C ATOM 876 C ASP A 52 9.667 -9.807 -4.922 1.00 0.00 C ATOM 877 O ASP A 52 10.061 -10.815 -4.336 1.00 0.00 O ATOM 878 CB ASP A 52 8.008 -8.919 -6.593 1.00 0.00 C ATOM 879 CG ASP A 52 8.458 -9.776 -7.757 1.00 0.00 C ATOM 880 OD1 ASP A 52 9.624 -9.648 -8.181 1.00 0.00 O ATOM 881 OD2 ASP A 52 7.643 -10.572 -8.266 1.00 0.00 O ATOM 0 H ASP A 52 7.921 -7.860 -4.122 1.00 0.00 H new ATOM 0 HA ASP A 52 7.698 -10.582 -5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.958 -8.659 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.570 -7.985 -6.597 1.00 0.00 H new ATOM 886 N LYS A 53 10.468 -8.824 -5.289 1.00 0.00 N ATOM 887 CA LYS A 53 11.840 -8.732 -4.823 1.00 0.00 C ATOM 888 C LYS A 53 12.162 -7.280 -4.540 1.00 0.00 C ATOM 889 O LYS A 53 12.240 -6.479 -5.467 1.00 0.00 O ATOM 890 CB LYS A 53 12.846 -9.284 -5.840 1.00 0.00 C ATOM 891 CG LYS A 53 12.724 -10.778 -6.095 1.00 0.00 C ATOM 892 CD LYS A 53 14.069 -11.402 -6.440 1.00 0.00 C ATOM 893 CE LYS A 53 14.714 -10.748 -7.655 1.00 0.00 C ATOM 894 NZ LYS A 53 13.920 -10.956 -8.893 1.00 0.00 N ATOM 0 H LYS A 53 10.188 -8.070 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 53 11.926 -9.338 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.718 -8.755 -6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.855 -9.069 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.313 -11.266 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.022 -10.952 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.738 -11.314 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.935 -12.467 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.827 -9.679 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.716 -11.155 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.430 -10.553 -9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.776 -11.975 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.997 -10.487 -8.796 1.00 0.00 H new ATOM 908 N ARG A 54 12.269 -6.938 -3.253 1.00 0.00 N ATOM 909 CA ARG A 54 12.666 -5.593 -2.830 1.00 0.00 C ATOM 910 C ARG A 54 11.499 -4.601 -2.943 1.00 0.00 C ATOM 911 O ARG A 54 11.507 -3.538 -2.320 1.00 0.00 O ATOM 912 CB ARG A 54 13.895 -5.130 -3.632 1.00 0.00 C ATOM 913 CG ARG A 54 14.232 -3.664 -3.485 1.00 0.00 C ATOM 914 CD ARG A 54 15.501 -3.305 -4.238 1.00 0.00 C ATOM 915 NE ARG A 54 16.700 -3.836 -3.589 1.00 0.00 N ATOM 916 CZ ARG A 54 17.810 -4.178 -4.239 1.00 0.00 C ATOM 917 NH1 ARG A 54 17.864 -4.105 -5.563 1.00 0.00 N ATOM 918 NH2 ARG A 54 18.869 -4.597 -3.559 1.00 0.00 N ATOM 0 H ARG A 54 12.085 -7.579 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 54 12.943 -5.627 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.757 -5.720 -3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.725 -5.345 -4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.404 -3.060 -3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.354 -3.422 -2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.439 -3.692 -5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.581 -2.221 -4.314 1.00 0.00 H new ATOM 0 HE ARG A 54 16.684 -3.951 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.051 -3.785 -6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.718 -4.369 -6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.831 -4.656 -2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.721 -4.860 -4.054 1.00 0.00 H new ATOM 932 N PHE A 55 10.485 -4.961 -3.713 1.00 0.00 N ATOM 933 CA PHE A 55 9.296 -4.133 -3.845 1.00 0.00 C ATOM 934 C PHE A 55 8.116 -4.794 -3.150 1.00 0.00 C ATOM 935 O PHE A 55 7.773 -5.935 -3.459 1.00 0.00 O ATOM 936 CB PHE A 55 8.949 -3.909 -5.318 1.00 0.00 C ATOM 937 CG PHE A 55 10.069 -3.330 -6.131 1.00 0.00 C ATOM 938 CD1 PHE A 55 10.342 -1.973 -6.092 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.847 -4.142 -6.940 1.00 0.00 C ATOM 940 CE1 PHE A 55 11.367 -1.438 -6.843 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.875 -3.613 -7.694 1.00 0.00 C ATOM 942 CZ PHE A 55 12.136 -2.258 -7.645 1.00 0.00 C ATOM 0 H PHE A 55 10.461 -5.823 -4.258 1.00 0.00 H new ATOM 0 HA PHE A 55 9.504 -3.170 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.649 -4.860 -5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.088 -3.244 -5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.745 -1.326 -5.466 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.647 -5.202 -6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.568 -0.378 -6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.474 -4.257 -8.321 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.940 -1.840 -8.233 1.00 0.00 H new ATOM 952 N TYR A 56 7.506 -4.081 -2.214 1.00 0.00 N ATOM 953 CA TYR A 56 6.314 -4.576 -1.538 1.00 0.00 C ATOM 954 C TYR A 56 5.095 -4.407 -2.424 1.00 0.00 C ATOM 955 O TYR A 56 5.019 -3.473 -3.217 1.00 0.00 O ATOM 956 CB TYR A 56 6.073 -3.848 -0.212 1.00 0.00 C ATOM 957 CG TYR A 56 6.709 -4.504 0.990 1.00 0.00 C ATOM 958 CD1 TYR A 56 7.586 -3.803 1.805 1.00 0.00 C ATOM 959 CD2 TYR A 56 6.424 -5.823 1.314 1.00 0.00 C ATOM 960 CE1 TYR A 56 8.162 -4.401 2.910 1.00 0.00 C ATOM 961 CE2 TYR A 56 6.995 -6.427 2.415 1.00 0.00 C ATOM 962 CZ TYR A 56 7.863 -5.713 3.210 1.00 0.00 C ATOM 963 OH TYR A 56 8.438 -6.313 4.306 1.00 0.00 O ATOM 0 H TYR A 56 7.816 -3.159 -1.905 1.00 0.00 H new ATOM 0 HA TYR A 56 6.477 -5.633 -1.330 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.453 -2.830 -0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.999 -3.774 -0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.822 -2.775 1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.743 -6.387 0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.843 -3.843 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.762 -7.455 2.652 1.00 0.00 H new ATOM 0 HH TYR A 56 7.808 -6.295 5.057 1.00 0.00 H new ATOM 973 N TYR A 57 4.150 -5.315 -2.279 1.00 0.00 N ATOM 974 CA TYR A 57 2.895 -5.249 -3.004 1.00 0.00 C ATOM 975 C TYR A 57 1.737 -5.515 -2.053 1.00 0.00 C ATOM 976 O TYR A 57 1.401 -6.669 -1.782 1.00 0.00 O ATOM 977 CB TYR A 57 2.863 -6.269 -4.147 1.00 0.00 C ATOM 978 CG TYR A 57 3.770 -5.944 -5.314 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.401 -4.998 -6.263 1.00 0.00 C ATOM 980 CD2 TYR A 57 4.982 -6.598 -5.478 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.215 -4.716 -7.340 1.00 0.00 C ATOM 982 CE2 TYR A 57 5.803 -6.317 -6.550 1.00 0.00 C ATOM 983 CZ TYR A 57 5.415 -5.377 -7.479 1.00 0.00 C ATOM 984 OH TYR A 57 6.228 -5.101 -8.555 1.00 0.00 O ATOM 0 H TYR A 57 4.230 -6.119 -1.656 1.00 0.00 H new ATOM 0 HA TYR A 57 2.801 -4.250 -3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.140 -7.246 -3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.840 -6.352 -4.513 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.462 -4.475 -6.155 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.288 -7.339 -4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.913 -3.980 -8.071 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.746 -6.832 -6.661 1.00 0.00 H new ATOM 0 HH TYR A 57 7.037 -5.652 -8.504 1.00 0.00 H new ATOM 994 N VAL A 58 1.147 -4.457 -1.519 1.00 0.00 N ATOM 995 CA VAL A 58 0.017 -4.613 -0.615 1.00 0.00 C ATOM 996 C VAL A 58 -1.290 -4.633 -1.394 1.00 0.00 C ATOM 997 O VAL A 58 -1.839 -3.584 -1.731 1.00 0.00 O ATOM 998 CB VAL A 58 -0.060 -3.505 0.458 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.123 -3.862 1.486 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.291 -3.289 1.121 1.00 0.00 C ATOM 0 H VAL A 58 1.427 -3.492 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 58 0.172 -5.562 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.337 -2.568 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.175 -3.079 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.090 -3.955 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.866 -4.809 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.206 -2.503 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.614 -4.214 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.023 -2.994 0.369 1.00 0.00 H new ATOM 1010 N SER A 59 -1.760 -5.832 -1.696 1.00 0.00 N ATOM 1011 CA SER A 59 -3.029 -6.020 -2.359 1.00 0.00 C ATOM 1012 C SER A 59 -4.149 -5.437 -1.513 1.00 0.00 C ATOM 1013 O SER A 59 -4.240 -5.739 -0.327 1.00 0.00 O ATOM 1014 CB SER A 59 -3.248 -7.513 -2.560 1.00 0.00 C ATOM 1015 OG SER A 59 -2.301 -8.060 -3.461 1.00 0.00 O ATOM 0 H SER A 59 -1.268 -6.700 -1.486 1.00 0.00 H new ATOM 0 HA SER A 59 -3.027 -5.511 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.176 -8.025 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.255 -7.686 -2.939 1.00 0.00 H new ATOM 0 HG SER A 59 -2.639 -8.909 -3.815 1.00 0.00 H new ATOM 1021 N VAL A 60 -4.984 -4.596 -2.110 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.065 -3.943 -1.375 1.00 0.00 C ATOM 1023 C VAL A 60 -7.281 -3.710 -2.258 1.00 0.00 C ATOM 1024 O VAL A 60 -7.175 -3.596 -3.482 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.647 -2.573 -0.786 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.511 -2.719 0.209 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.274 -1.604 -1.897 1.00 0.00 C ATOM 0 H VAL A 60 -4.936 -4.349 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.308 -4.627 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.503 -2.167 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.243 -1.738 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.826 -3.365 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.646 -3.159 -0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.983 -0.647 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.441 -2.011 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.130 -1.458 -2.556 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.434 -3.652 -1.620 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.656 -3.222 -2.272 1.00 0.00 C ATOM 1039 C ASP A 61 -9.926 -1.789 -1.858 1.00 0.00 C ATOM 1040 O ASP A 61 -9.873 -1.466 -0.670 1.00 0.00 O ATOM 1041 CB ASP A 61 -10.829 -4.116 -1.868 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.066 -3.874 -2.710 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.532 -4.828 -3.359 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.574 -2.736 -2.731 1.00 0.00 O ATOM 0 H ASP A 61 -8.550 -3.901 -0.638 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.544 -3.292 -3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.532 -5.161 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.069 -3.942 -0.819 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.194 -0.929 -2.823 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.318 0.490 -2.533 1.00 0.00 C ATOM 1051 C ALA A 62 -11.764 0.895 -2.242 1.00 0.00 C ATOM 1052 O ALA A 62 -12.068 2.080 -2.080 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.729 1.304 -3.666 1.00 0.00 C ATOM 0 H ALA A 62 -10.329 -1.182 -3.802 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.753 0.699 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.826 2.366 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.675 1.053 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.261 1.079 -4.590 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.656 -0.087 -2.190 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.009 0.164 -1.724 1.00 0.00 C ATOM 1061 C GLY A 63 -14.980 0.512 -2.835 1.00 0.00 C ATOM 1062 O GLY A 63 -16.192 0.402 -2.661 1.00 0.00 O ATOM 0 H GLY A 63 -12.468 -1.052 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.373 -0.719 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.990 0.980 -1.001 1.00 0.00 H new ATOM 1066 N ASP A 64 -14.458 0.927 -3.975 1.00 0.00 N ATOM 1067 CA ASP A 64 -15.305 1.332 -5.093 1.00 0.00 C ATOM 1068 C ASP A 64 -15.341 0.233 -6.153 1.00 0.00 C ATOM 1069 O ASP A 64 -15.700 0.464 -7.306 1.00 0.00 O ATOM 1070 CB ASP A 64 -14.788 2.647 -5.692 1.00 0.00 C ATOM 1071 CG ASP A 64 -15.724 3.233 -6.732 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -16.931 3.369 -6.440 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -15.261 3.567 -7.842 1.00 0.00 O ATOM 0 H ASP A 64 -13.456 0.994 -4.155 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.321 1.491 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.643 3.372 -4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.812 2.474 -6.146 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.974 -0.975 -5.751 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.877 -2.072 -6.692 1.00 0.00 C ATOM 1080 C GLY A 65 -13.522 -2.095 -7.365 1.00 0.00 C ATOM 1081 O GLY A 65 -13.075 -3.130 -7.861 1.00 0.00 O ATOM 0 H GLY A 65 -14.741 -1.216 -4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.045 -3.016 -6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.659 -1.979 -7.446 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.869 -0.942 -7.367 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.545 -0.803 -7.930 1.00 0.00 C ATOM 1087 C GLU A 66 -10.523 -1.510 -7.049 1.00 0.00 C ATOM 1088 O GLU A 66 -10.695 -1.606 -5.831 1.00 0.00 O ATOM 1089 CB GLU A 66 -11.192 0.675 -8.077 1.00 0.00 C ATOM 1090 CG GLU A 66 -11.432 1.464 -6.813 1.00 0.00 C ATOM 1091 CD GLU A 66 -10.900 2.880 -6.885 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -9.704 3.085 -6.605 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -11.677 3.795 -7.210 1.00 0.00 O ATOM 0 H GLU A 66 -13.247 -0.079 -6.977 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.529 -1.265 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.144 0.767 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.782 1.106 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.502 1.495 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.962 0.948 -5.975 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.452 -1.995 -7.659 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.472 -2.769 -6.939 1.00 0.00 C ATOM 1102 C LYS A 67 -7.109 -2.120 -7.056 1.00 0.00 C ATOM 1103 O LYS A 67 -6.817 -1.444 -8.044 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.416 -4.202 -7.469 1.00 0.00 C ATOM 1105 CG LYS A 67 -9.718 -4.972 -7.318 1.00 0.00 C ATOM 1106 CD LYS A 67 -9.944 -5.469 -5.901 1.00 0.00 C ATOM 1107 CE LYS A 67 -11.148 -6.397 -5.846 1.00 0.00 C ATOM 1108 NZ LYS A 67 -11.424 -6.896 -4.476 1.00 0.00 N ATOM 0 H LYS A 67 -9.246 -1.863 -8.649 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.764 -2.801 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.141 -4.177 -8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.625 -4.740 -6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.550 -4.332 -7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.714 -5.822 -8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.057 -5.994 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.100 -4.622 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.026 -5.870 -6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.979 -7.245 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.319 -7.426 -4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.651 -7.521 -4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.496 -6.091 -3.821 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.289 -2.332 -6.051 1.00 0.00 N ATOM 1123 CA CYS A 68 -4.960 -1.764 -6.008 1.00 0.00 C ATOM 1124 C CYS A 68 -4.037 -2.736 -5.301 1.00 0.00 C ATOM 1125 O CYS A 68 -4.482 -3.730 -4.725 1.00 0.00 O ATOM 1126 CB CYS A 68 -4.980 -0.424 -5.266 1.00 0.00 C ATOM 1127 SG CYS A 68 -3.438 0.534 -5.411 1.00 0.00 S ATOM 0 H CYS A 68 -6.525 -2.904 -5.240 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.604 -1.588 -7.023 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.805 0.177 -5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.182 -0.609 -4.211 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.763 -2.443 -5.350 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.759 -3.255 -4.703 1.00 0.00 C ATOM 1134 C LYS A 69 -0.533 -2.389 -4.470 1.00 0.00 C ATOM 1135 O LYS A 69 0.333 -2.269 -5.335 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.439 -4.487 -5.557 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.435 -5.436 -4.935 1.00 0.00 C ATOM 1138 CD LYS A 69 -0.316 -6.722 -5.740 1.00 0.00 C ATOM 1139 CE LYS A 69 0.070 -6.446 -7.184 1.00 0.00 C ATOM 1140 NZ LYS A 69 0.101 -7.687 -7.998 1.00 0.00 N ATOM 0 H LYS A 69 -2.389 -1.631 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.120 -3.625 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.364 -5.031 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.057 -4.155 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.539 -4.950 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.737 -5.670 -3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.430 -7.371 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.265 -7.258 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.640 -5.743 -7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.050 -5.969 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.368 -7.454 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.796 -8.348 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.840 -8.129 -7.993 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.512 -1.735 -3.316 1.00 0.00 N ATOM 1155 CA PHE A 70 0.488 -0.718 -3.011 1.00 0.00 C ATOM 1156 C PHE A 70 1.898 -1.237 -3.198 1.00 0.00 C ATOM 1157 O PHE A 70 2.357 -2.104 -2.456 1.00 0.00 O ATOM 1158 CB PHE A 70 0.306 -0.193 -1.586 1.00 0.00 C ATOM 1159 CG PHE A 70 -0.923 0.646 -1.417 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -0.910 1.984 -1.770 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.089 0.101 -0.915 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -2.039 2.763 -1.626 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.221 0.876 -0.767 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.197 2.209 -1.123 1.00 0.00 C ATOM 0 H PHE A 70 -1.185 -1.893 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 70 0.339 0.101 -3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.259 -1.037 -0.898 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.180 0.396 -1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.005 2.423 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.115 -0.942 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.016 3.806 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.126 0.439 -0.372 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.083 2.816 -1.008 1.00 0.00 H new ATOM 1174 N LYS A 71 2.575 -0.698 -4.199 1.00 0.00 N ATOM 1175 CA LYS A 71 3.943 -1.068 -4.469 1.00 0.00 C ATOM 1176 C LYS A 71 4.867 -0.241 -3.603 1.00 0.00 C ATOM 1177 O LYS A 71 5.417 0.786 -4.026 1.00 0.00 O ATOM 1178 CB LYS A 71 4.279 -0.914 -5.952 1.00 0.00 C ATOM 1179 CG LYS A 71 5.726 -1.241 -6.291 1.00 0.00 C ATOM 1180 CD LYS A 71 5.822 -1.764 -7.709 1.00 0.00 C ATOM 1181 CE LYS A 71 7.259 -1.984 -8.152 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.336 -2.726 -9.439 1.00 0.00 N ATOM 0 H LYS A 71 2.192 -0.000 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 71 4.080 -2.121 -4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.624 -1.563 -6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.066 0.110 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.344 -0.350 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.112 -1.985 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.274 -2.703 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.340 -1.059 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.758 -1.021 -8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.796 -2.537 -7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.301 -3.091 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.665 -3.520 -9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.097 -2.086 -10.223 1.00 0.00 H new ATOM 1196 N ILE A 72 4.991 -0.675 -2.369 1.00 0.00 N ATOM 1197 CA ILE A 72 5.798 0.017 -1.402 1.00 0.00 C ATOM 1198 C ILE A 72 7.258 -0.279 -1.651 1.00 0.00 C ATOM 1199 O ILE A 72 7.753 -1.369 -1.353 1.00 0.00 O ATOM 1200 CB ILE A 72 5.413 -0.366 0.040 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.978 0.090 0.327 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.390 0.243 1.036 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.475 -0.300 1.698 1.00 0.00 C ATOM 0 H ILE A 72 4.535 -1.515 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 72 5.619 1.086 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 72 5.464 -1.449 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.924 1.174 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.315 -0.334 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.101 -0.039 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.395 -0.124 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.374 1.329 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.453 0.058 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.495 -1.385 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.114 0.146 2.460 1.00 0.00 H new ATOM 1215 N ARG A 73 7.933 0.679 -2.248 1.00 0.00 N ATOM 1216 CA ARG A 73 9.347 0.553 -2.476 1.00 0.00 C ATOM 1217 C ARG A 73 10.049 0.684 -1.144 1.00 0.00 C ATOM 1218 O ARG A 73 10.001 1.736 -0.504 1.00 0.00 O ATOM 1219 CB ARG A 73 9.846 1.602 -3.467 1.00 0.00 C ATOM 1220 CG ARG A 73 11.165 1.229 -4.124 1.00 0.00 C ATOM 1221 CD ARG A 73 11.398 2.011 -5.404 1.00 0.00 C ATOM 1222 NE ARG A 73 12.636 1.599 -6.064 1.00 0.00 N ATOM 1223 CZ ARG A 73 13.072 2.088 -7.224 1.00 0.00 C ATOM 1224 NH1 ARG A 73 12.376 3.016 -7.873 1.00 0.00 N ATOM 1225 NH2 ARG A 73 14.212 1.648 -7.732 1.00 0.00 N ATOM 0 H ARG A 73 7.522 1.551 -2.582 1.00 0.00 H new ATOM 0 HA ARG A 73 9.564 -0.420 -2.917 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.092 1.749 -4.240 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.962 2.554 -2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.983 1.417 -3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.173 0.161 -4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.557 1.863 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.442 3.076 -5.178 1.00 0.00 H new ATOM 0 HE ARG A 73 13.205 0.888 -5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.499 3.361 -7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.719 3.383 -8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.751 0.939 -7.236 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.551 2.018 -8.620 1.00 0.00 H new ATOM 1239 N LYS A 74 10.630 -0.412 -0.703 1.00 0.00 N ATOM 1240 CA LYS A 74 11.329 -0.445 0.571 1.00 0.00 C ATOM 1241 C LYS A 74 12.434 0.612 0.599 1.00 0.00 C ATOM 1242 O LYS A 74 12.857 1.090 -0.455 1.00 0.00 O ATOM 1243 CB LYS A 74 11.933 -1.830 0.806 1.00 0.00 C ATOM 1244 CG LYS A 74 10.938 -2.977 0.699 1.00 0.00 C ATOM 1245 CD LYS A 74 11.602 -4.312 1.012 1.00 0.00 C ATOM 1246 CE LYS A 74 10.634 -5.476 0.864 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.260 -6.771 1.244 1.00 0.00 N ATOM 0 H LYS A 74 10.634 -1.298 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 74 10.613 -0.229 1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.733 -1.991 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.388 -1.851 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.110 -2.809 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.517 -3.004 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.452 -4.460 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.994 -4.293 2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.757 -5.300 1.487 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.286 -5.530 -0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.517 -7.471 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.857 -7.111 0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.845 -6.638 2.094 1.00 0.00 H new ATOM 1261 N ASP A 75 12.884 0.986 1.799 1.00 0.00 N ATOM 1262 CA ASP A 75 13.995 1.933 1.934 1.00 0.00 C ATOM 1263 C ASP A 75 15.281 1.293 1.423 1.00 0.00 C ATOM 1264 O ASP A 75 16.135 0.859 2.192 1.00 0.00 O ATOM 1265 CB ASP A 75 14.176 2.388 3.387 1.00 0.00 C ATOM 1266 CG ASP A 75 15.273 3.436 3.540 1.00 0.00 C ATOM 1267 OD1 ASP A 75 16.448 3.056 3.747 1.00 0.00 O ATOM 1268 OD2 ASP A 75 14.972 4.645 3.448 1.00 0.00 O ATOM 0 H ASP A 75 12.501 0.652 2.683 1.00 0.00 H new ATOM 0 HA ASP A 75 13.761 2.815 1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.235 2.796 3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.415 1.524 4.008 1.00 0.00 H new ATOM 1273 N VAL A 76 15.382 1.184 0.117 1.00 0.00 N ATOM 1274 CA VAL A 76 16.518 0.546 -0.519 1.00 0.00 C ATOM 1275 C VAL A 76 17.504 1.593 -0.993 1.00 0.00 C ATOM 1276 O VAL A 76 18.594 1.282 -1.476 1.00 0.00 O ATOM 1277 CB VAL A 76 16.064 -0.309 -1.714 1.00 0.00 C ATOM 1278 CG1 VAL A 76 15.146 -1.419 -1.235 1.00 0.00 C ATOM 1279 CG2 VAL A 76 15.366 0.544 -2.766 1.00 0.00 C ATOM 0 H VAL A 76 14.681 1.534 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 76 16.999 -0.102 0.214 1.00 0.00 H new ATOM 0 HB VAL A 76 16.947 -0.751 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.828 -2.021 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.679 -2.050 -0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.271 -0.984 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.056 -0.087 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.490 1.020 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.052 1.310 -3.127 1.00 0.00 H new ATOM 1289 N ASP A 77 17.093 2.833 -0.816 1.00 0.00 N ATOM 1290 CA ASP A 77 17.817 4.004 -1.295 1.00 0.00 C ATOM 1291 C ASP A 77 16.977 5.235 -1.005 1.00 0.00 C ATOM 1292 O ASP A 77 17.370 6.110 -0.234 1.00 0.00 O ATOM 1293 CB ASP A 77 18.091 3.910 -2.799 1.00 0.00 C ATOM 1294 CG ASP A 77 19.009 5.007 -3.292 1.00 0.00 C ATOM 1295 OD1 ASP A 77 18.509 6.017 -3.824 1.00 0.00 O ATOM 1296 OD2 ASP A 77 20.241 4.855 -3.161 1.00 0.00 O ATOM 0 H ASP A 77 16.229 3.064 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 77 18.778 4.063 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.536 2.941 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.146 3.961 -3.341 1.00 0.00 H new ATOM 1301 N VAL A 78 15.800 5.276 -1.611 1.00 0.00 N ATOM 1302 CA VAL A 78 14.829 6.319 -1.330 1.00 0.00 C ATOM 1303 C VAL A 78 13.817 5.810 -0.307 1.00 0.00 C ATOM 1304 O VAL A 78 13.369 4.664 -0.367 1.00 0.00 O ATOM 1305 CB VAL A 78 14.095 6.787 -2.611 1.00 0.00 C ATOM 1306 CG1 VAL A 78 13.323 5.641 -3.234 1.00 0.00 C ATOM 1307 CG2 VAL A 78 13.159 7.954 -2.329 1.00 0.00 C ATOM 0 H VAL A 78 15.494 4.594 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 78 15.366 7.178 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 78 14.855 7.128 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.815 5.991 -4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 78 14.012 4.838 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.586 5.269 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.663 8.254 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.411 7.651 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.732 8.794 -1.936 1.00 0.00 H new ATOM 1317 N PRO A 79 13.470 6.655 0.657 1.00 0.00 N ATOM 1318 CA PRO A 79 12.510 6.332 1.706 1.00 0.00 C ATOM 1319 C PRO A 79 11.064 6.541 1.264 1.00 0.00 C ATOM 1320 O PRO A 79 10.245 7.047 2.030 1.00 0.00 O ATOM 1321 CB PRO A 79 12.875 7.353 2.776 1.00 0.00 C ATOM 1322 CG PRO A 79 13.259 8.550 1.996 1.00 0.00 C ATOM 1323 CD PRO A 79 14.005 8.015 0.809 1.00 0.00 C ATOM 0 HA PRO A 79 12.560 5.288 2.017 1.00 0.00 H new ATOM 0 HB2 PRO A 79 12.034 7.558 3.438 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.695 7.002 3.402 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.382 9.119 1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.883 9.222 2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.829 8.618 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 79 15.081 8.007 0.981 1.00 0.00 H new ATOM 1331 N LYS A 80 10.733 6.137 0.049 1.00 0.00 N ATOM 1332 CA LYS A 80 9.403 6.399 -0.474 1.00 0.00 C ATOM 1333 C LYS A 80 8.832 5.204 -1.216 1.00 0.00 C ATOM 1334 O LYS A 80 9.540 4.504 -1.939 1.00 0.00 O ATOM 1335 CB LYS A 80 9.417 7.607 -1.409 1.00 0.00 C ATOM 1336 CG LYS A 80 8.459 8.709 -0.987 1.00 0.00 C ATOM 1337 CD LYS A 80 8.250 9.728 -2.098 1.00 0.00 C ATOM 1338 CE LYS A 80 9.559 10.350 -2.558 1.00 0.00 C ATOM 1339 NZ LYS A 80 9.354 11.301 -3.682 1.00 0.00 N ATOM 0 H LYS A 80 11.355 5.635 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 80 8.766 6.604 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.428 8.012 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.161 7.280 -2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.500 8.271 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.849 9.211 -0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.761 9.246 -2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.580 10.513 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.027 10.870 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.246 9.563 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.269 11.704 -3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.930 10.799 -4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.719 12.066 -3.378 1.00 0.00 H new ATOM 1353 N MET A 81 7.543 4.986 -1.016 1.00 0.00 N ATOM 1354 CA MET A 81 6.785 4.027 -1.796 1.00 0.00 C ATOM 1355 C MET A 81 6.732 4.496 -3.245 1.00 0.00 C ATOM 1356 O MET A 81 6.318 5.620 -3.526 1.00 0.00 O ATOM 1357 CB MET A 81 5.384 3.873 -1.183 1.00 0.00 C ATOM 1358 CG MET A 81 4.315 3.332 -2.117 1.00 0.00 C ATOM 1359 SD MET A 81 3.469 4.637 -3.031 1.00 0.00 S ATOM 1360 CE MET A 81 2.870 5.672 -1.690 1.00 0.00 C ATOM 0 H MET A 81 6.993 5.471 -0.307 1.00 0.00 H new ATOM 0 HA MET A 81 7.263 3.047 -1.780 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.455 3.212 -0.320 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.060 4.846 -0.813 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.771 2.637 -2.822 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.585 2.766 -1.539 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.871 6.037 -1.930 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.832 5.089 -0.770 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.543 6.519 -1.555 1.00 0.00 H new ATOM 1370 N VAL A 82 7.186 3.648 -4.158 1.00 0.00 N ATOM 1371 CA VAL A 82 7.319 4.039 -5.551 1.00 0.00 C ATOM 1372 C VAL A 82 5.981 3.994 -6.277 1.00 0.00 C ATOM 1373 O VAL A 82 5.673 4.867 -7.089 1.00 0.00 O ATOM 1374 CB VAL A 82 8.343 3.147 -6.299 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.880 1.695 -6.373 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.617 3.693 -7.690 1.00 0.00 C ATOM 0 H VAL A 82 7.467 2.688 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 82 7.683 5.066 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 82 9.271 3.167 -5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.625 1.102 -6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.755 1.301 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.929 1.643 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.338 3.052 -8.197 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.689 3.717 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.021 4.702 -7.612 1.00 0.00 H new ATOM 1386 N GLY A 83 5.169 2.999 -5.970 1.00 0.00 N ATOM 1387 CA GLY A 83 3.989 2.787 -6.757 1.00 0.00 C ATOM 1388 C GLY A 83 2.804 2.306 -5.964 1.00 0.00 C ATOM 1389 O GLY A 83 2.882 2.087 -4.761 1.00 0.00 O ATOM 0 H GLY A 83 5.307 2.345 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.725 3.719 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.211 2.059 -7.537 1.00 0.00 H new ATOM 1393 N ARG A 84 1.718 2.121 -6.676 1.00 0.00 N ATOM 1394 CA ARG A 84 0.437 1.733 -6.112 1.00 0.00 C ATOM 1395 C ARG A 84 -0.333 1.011 -7.186 1.00 0.00 C ATOM 1396 O ARG A 84 -0.989 1.647 -8.000 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.356 2.960 -5.656 1.00 0.00 C ATOM 1398 CG ARG A 84 0.211 3.640 -4.430 1.00 0.00 C ATOM 1399 CD ARG A 84 0.468 5.119 -4.675 1.00 0.00 C ATOM 1400 NE ARG A 84 1.734 5.359 -5.376 1.00 0.00 N ATOM 1401 CZ ARG A 84 1.909 6.293 -6.311 1.00 0.00 C ATOM 1402 NH1 ARG A 84 0.878 7.005 -6.739 1.00 0.00 N ATOM 1403 NH2 ARG A 84 3.113 6.494 -6.841 1.00 0.00 N ATOM 0 H ARG A 84 1.695 2.238 -7.689 1.00 0.00 H new ATOM 0 HA ARG A 84 0.597 1.095 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.393 3.680 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.383 2.659 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.482 3.524 -3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.142 3.152 -4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.352 5.535 -5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.479 5.646 -3.721 1.00 0.00 H new ATOM 0 HE ARG A 84 2.532 4.773 -5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.052 6.839 -6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.013 7.719 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.906 5.932 -6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.242 7.210 -7.556 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.225 -0.306 -7.207 1.00 0.00 N ATOM 1418 CA LYS A 85 -0.676 -1.097 -8.351 1.00 0.00 C ATOM 1419 C LYS A 85 -2.202 -1.193 -8.426 1.00 0.00 C ATOM 1420 O LYS A 85 -2.789 -2.272 -8.339 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.021 -2.485 -8.326 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.256 -3.327 -9.570 1.00 0.00 C ATOM 1423 CD LYS A 85 0.372 -2.703 -10.793 1.00 0.00 C ATOM 1424 CE LYS A 85 0.434 -3.684 -11.943 1.00 0.00 C ATOM 1425 NZ LYS A 85 1.166 -4.925 -11.579 1.00 0.00 N ATOM 0 H LYS A 85 0.171 -0.856 -6.445 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.359 -0.582 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.053 -2.361 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.394 -3.031 -7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.157 -4.324 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.327 -3.446 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.202 -1.826 -11.091 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.378 -2.359 -10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.578 -3.939 -12.256 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.922 -3.212 -12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.539 -5.373 -12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.954 -4.689 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.518 -5.582 -11.100 1.00 0.00 H new ATOM 1439 N CYS A 86 -2.831 -0.038 -8.559 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.236 0.052 -8.881 1.00 0.00 C ATOM 1441 C CYS A 86 -4.361 0.454 -10.333 1.00 0.00 C ATOM 1442 O CYS A 86 -4.034 1.580 -10.705 1.00 0.00 O ATOM 1443 CB CYS A 86 -4.951 1.082 -8.006 1.00 0.00 C ATOM 1444 SG CYS A 86 -3.883 1.946 -6.802 1.00 0.00 S ATOM 0 H CYS A 86 -2.374 0.867 -8.445 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.702 -0.916 -8.699 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.418 1.824 -8.653 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.753 0.582 -7.464 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.830 -0.456 -11.157 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.846 -0.209 -12.588 1.00 0.00 C ATOM 1451 C ARG A 87 -6.272 -0.017 -13.059 1.00 0.00 C ATOM 1452 O ARG A 87 -6.580 -0.098 -14.245 1.00 0.00 O ATOM 1453 CB ARG A 87 -4.135 -1.324 -13.356 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.659 -1.452 -13.011 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.985 -0.103 -13.102 1.00 0.00 C ATOM 1456 NE ARG A 87 -0.550 -0.191 -13.364 1.00 0.00 N ATOM 1457 CZ ARG A 87 0.248 0.871 -13.513 1.00 0.00 C ATOM 1458 NH1 ARG A 87 -0.253 2.102 -13.451 1.00 0.00 N ATOM 1459 NH2 ARG A 87 1.542 0.702 -13.737 1.00 0.00 N ATOM 0 H ARG A 87 -5.201 -1.362 -10.871 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.293 0.708 -12.792 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.632 -2.272 -13.148 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.235 -1.139 -14.425 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.547 -1.856 -12.005 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.178 -2.154 -13.692 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.457 0.479 -13.894 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.145 0.439 -12.170 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.132 -1.119 -13.438 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.251 2.239 -13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.361 2.909 -13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.931 -0.239 -13.796 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.150 1.513 -13.851 1.00 0.00 H new ATOM 1473 N LYS A 88 -7.134 0.256 -12.090 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.485 0.718 -12.356 1.00 0.00 C ATOM 1475 C LYS A 88 -8.425 2.183 -12.778 1.00 0.00 C ATOM 1476 O LYS A 88 -9.409 2.771 -13.225 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.339 0.543 -11.101 1.00 0.00 C ATOM 1478 CG LYS A 88 -9.564 -0.915 -10.725 1.00 0.00 C ATOM 1479 CD LYS A 88 -10.504 -1.601 -11.705 1.00 0.00 C ATOM 1480 CE LYS A 88 -10.625 -3.090 -11.423 1.00 0.00 C ATOM 1481 NZ LYS A 88 -9.363 -3.816 -11.717 1.00 0.00 N ATOM 0 H LYS A 88 -6.915 0.163 -11.098 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.938 0.136 -13.159 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.858 1.056 -10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.305 1.024 -11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.609 -1.439 -10.707 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.979 -0.973 -9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.490 -1.139 -11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.141 -1.452 -12.722 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.895 -3.240 -10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.432 -3.508 -12.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.542 -4.840 -11.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.010 -3.534 -12.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.652 -3.583 -10.995 1.00 0.00 H new ATOM 1495 N ASP A 89 -7.240 2.751 -12.604 1.00 0.00 N ATOM 1496 CA ASP A 89 -6.924 4.086 -13.076 1.00 0.00 C ATOM 1497 C ASP A 89 -5.844 3.953 -14.156 1.00 0.00 C ATOM 1498 O ASP A 89 -5.846 2.975 -14.905 1.00 0.00 O ATOM 1499 CB ASP A 89 -6.435 4.946 -11.899 1.00 0.00 C ATOM 1500 CG ASP A 89 -6.500 6.436 -12.180 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -7.520 7.068 -11.836 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -5.528 6.987 -12.735 1.00 0.00 O ATOM 0 H ASP A 89 -6.465 2.291 -12.126 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.802 4.575 -13.498 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.038 4.722 -11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.407 4.672 -11.660 1.00 0.00 H new ATOM 1507 N ASP A 90 -4.930 4.908 -14.228 1.00 0.00 N ATOM 1508 CA ASP A 90 -3.836 4.869 -15.198 1.00 0.00 C ATOM 1509 C ASP A 90 -2.992 3.602 -15.028 1.00 0.00 C ATOM 1510 O ASP A 90 -2.780 3.126 -13.907 1.00 0.00 O ATOM 1511 CB ASP A 90 -2.963 6.116 -15.047 1.00 0.00 C ATOM 1512 CG ASP A 90 -1.770 6.108 -15.976 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -0.700 5.636 -15.559 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -1.896 6.579 -17.126 1.00 0.00 O ATOM 0 H ASP A 90 -4.921 5.729 -13.622 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.265 4.852 -16.200 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.566 7.003 -15.244 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.616 6.189 -14.016 1.00 0.00 H new ATOM 1519 N ASP A 91 -2.513 3.061 -16.144 1.00 0.00 N ATOM 1520 CA ASP A 91 -1.816 1.780 -16.146 1.00 0.00 C ATOM 1521 C ASP A 91 -0.369 1.921 -16.651 1.00 0.00 C ATOM 1522 O ASP A 91 0.265 0.949 -17.062 1.00 0.00 O ATOM 1523 CB ASP A 91 -2.619 0.779 -16.995 1.00 0.00 C ATOM 1524 CG ASP A 91 -2.011 -0.613 -17.072 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -1.799 -1.109 -18.200 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -1.746 -1.221 -16.016 1.00 0.00 O ATOM 0 H ASP A 91 -2.596 3.494 -17.064 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.747 1.408 -15.124 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.626 0.700 -16.585 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.717 1.175 -18.006 1.00 0.00 H new ATOM 1531 N ASP A 92 0.180 3.126 -16.576 1.00 0.00 N ATOM 1532 CA ASP A 92 1.563 3.338 -16.992 1.00 0.00 C ATOM 1533 C ASP A 92 2.370 4.041 -15.903 1.00 0.00 C ATOM 1534 O ASP A 92 1.998 5.109 -15.429 1.00 0.00 O ATOM 1535 CB ASP A 92 1.628 4.137 -18.294 1.00 0.00 C ATOM 1536 CG ASP A 92 3.055 4.355 -18.754 1.00 0.00 C ATOM 1537 OD1 ASP A 92 3.765 3.358 -19.003 1.00 0.00 O ATOM 1538 OD2 ASP A 92 3.477 5.523 -18.872 1.00 0.00 O ATOM 0 H ASP A 92 -0.300 3.960 -16.237 1.00 0.00 H new ATOM 0 HA ASP A 92 2.004 2.356 -17.164 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.073 3.611 -19.071 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.141 5.102 -18.152 1.00 0.00 H new ATOM 1543 N ASP A 93 3.479 3.432 -15.513 1.00 0.00 N ATOM 1544 CA ASP A 93 4.346 3.989 -14.480 1.00 0.00 C ATOM 1545 C ASP A 93 5.762 3.459 -14.677 1.00 0.00 C ATOM 1546 O ASP A 93 5.991 2.637 -15.566 1.00 0.00 O ATOM 1547 CB ASP A 93 3.819 3.613 -13.090 1.00 0.00 C ATOM 1548 CG ASP A 93 4.385 4.488 -11.987 1.00 0.00 C ATOM 1549 OD1 ASP A 93 5.440 4.140 -11.424 1.00 0.00 O ATOM 1550 OD2 ASP A 93 3.769 5.531 -11.675 1.00 0.00 O ATOM 0 H ASP A 93 3.804 2.545 -15.898 1.00 0.00 H new ATOM 0 HA ASP A 93 4.356 5.076 -14.557 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.732 3.690 -13.086 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.065 2.572 -12.883 1.00 0.00 H new ATOM 1555 N ASP A 94 6.714 3.921 -13.880 1.00 0.00 N ATOM 1556 CA ASP A 94 8.084 3.432 -13.987 1.00 0.00 C ATOM 1557 C ASP A 94 8.401 2.509 -12.818 1.00 0.00 C ATOM 1558 O ASP A 94 9.384 1.768 -12.844 1.00 0.00 O ATOM 1559 CB ASP A 94 9.093 4.587 -14.039 1.00 0.00 C ATOM 1560 CG ASP A 94 9.497 5.099 -12.668 1.00 0.00 C ATOM 1561 OD1 ASP A 94 10.522 4.630 -12.131 1.00 0.00 O ATOM 1562 OD2 ASP A 94 8.808 5.990 -12.129 1.00 0.00 O ATOM 0 H ASP A 94 6.568 4.627 -13.158 1.00 0.00 H new ATOM 0 HA ASP A 94 8.169 2.875 -14.920 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.984 4.257 -14.572 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.664 5.408 -14.613 1.00 0.00 H new ATOM 1567 N GLY A 95 7.563 2.557 -11.796 1.00 0.00 N ATOM 1568 CA GLY A 95 7.740 1.690 -10.657 1.00 0.00 C ATOM 1569 C GLY A 95 6.887 0.449 -10.767 1.00 0.00 C ATOM 1570 O GLY A 95 7.354 -0.599 -11.213 1.00 0.00 O ATOM 0 H GLY A 95 6.761 3.184 -11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.789 1.405 -10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.484 2.229 -9.745 1.00 0.00 H new ATOM 1574 N TYR A 96 5.641 0.557 -10.337 1.00 0.00 N ATOM 1575 CA TYR A 96 4.689 -0.544 -10.467 1.00 0.00 C ATOM 1576 C TYR A 96 4.222 -0.700 -11.908 1.00 0.00 C ATOM 1577 O TYR A 96 4.157 -1.849 -12.384 1.00 0.00 O ATOM 1578 CB TYR A 96 3.488 -0.381 -9.522 1.00 0.00 C ATOM 1579 CG TYR A 96 2.535 0.755 -9.830 1.00 0.00 C ATOM 1580 CD1 TYR A 96 1.231 0.496 -10.234 1.00 0.00 C ATOM 1581 CD2 TYR A 96 2.914 2.075 -9.667 1.00 0.00 C ATOM 1582 CE1 TYR A 96 0.339 1.515 -10.470 1.00 0.00 C ATOM 1583 CE2 TYR A 96 2.031 3.104 -9.906 1.00 0.00 C ATOM 1584 CZ TYR A 96 0.743 2.823 -10.307 1.00 0.00 C ATOM 1585 OH TYR A 96 -0.139 3.847 -10.546 1.00 0.00 O ATOM 1586 OXT TYR A 96 3.953 0.322 -12.566 1.00 0.00 O ATOM 0 H TYR A 96 5.261 1.394 -9.894 1.00 0.00 H new ATOM 0 HA TYR A 96 5.214 -1.454 -10.176 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.922 -1.312 -9.527 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.867 -0.243 -8.509 1.00 0.00 H new ATOM 0 HD1 TYR A 96 0.912 -0.527 -10.365 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.920 2.303 -9.347 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.671 1.292 -10.781 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.347 4.129 -9.779 1.00 0.00 H new ATOM 0 HH TYR A 96 0.305 4.706 -10.383 1.00 0.00 H new TER 1596 TYR A 96