USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 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 35 GLN : amide:sc= -3.84! C(o=-3.8!,f=-6.4!) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 156:sc= -0.116 (180deg=-0.572) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -20:sc= 0.215 USER MOD Single : A 27 LYS NZ :NH3+ -113:sc= 0.0535 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.81! C(o=-2.8!,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ -121:sc= -2.73 (180deg=-7.58!) USER MOD Single : A 33 THR OG1 : rot 155:sc= 0.899 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.92! K(o=-1.9!,f=-2.4) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.37 K(o=-2.4,f=-6.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.7!) USER MOD Single : A 74 GLN : amide:sc= -0.0558 K(o=-0.056,f=-1.7!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 11 4.247 -11.635 -0.481 1.00 0.00 N ATOM 119 CA LEU A 11 3.528 -10.725 0.405 1.00 0.00 C ATOM 120 C LEU A 11 4.336 -10.443 1.667 1.00 0.00 C ATOM 121 O LEU A 11 4.686 -9.297 1.948 1.00 0.00 O ATOM 122 CB LEU A 11 2.167 -11.315 0.779 1.00 0.00 C ATOM 123 CG LEU A 11 1.104 -11.300 -0.321 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.085 -12.162 0.074 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.658 -9.875 -0.612 1.00 0.00 C ATOM 0 HA LEU A 11 3.376 -9.785 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.316 -12.346 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.780 -10.768 1.638 1.00 0.00 H new ATOM 0 HG LEU A 11 1.542 -11.715 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.831 -12.139 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.246 -13.188 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.524 -11.777 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.098 -9.884 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.238 -9.433 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.514 -9.285 -0.940 1.00 0.00 H new ATOM 137 N GLU A 12 4.631 -11.496 2.423 1.00 0.00 N ATOM 138 CA GLU A 12 5.400 -11.360 3.655 1.00 0.00 C ATOM 139 C GLU A 12 6.495 -10.308 3.500 1.00 0.00 C ATOM 140 O GLU A 12 6.900 -9.671 4.472 1.00 0.00 O ATOM 141 CB GLU A 12 6.020 -12.703 4.046 1.00 0.00 C ATOM 142 CG GLU A 12 7.399 -12.933 3.451 1.00 0.00 C ATOM 143 CD GLU A 12 8.087 -14.154 4.030 1.00 0.00 C ATOM 144 OE1 GLU A 12 8.458 -14.119 5.222 1.00 0.00 O ATOM 145 OE2 GLU A 12 8.255 -15.146 3.290 1.00 0.00 O ATOM 0 H GLU A 12 4.350 -12.452 2.204 1.00 0.00 H new ATOM 0 HA GLU A 12 4.720 -11.038 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.088 -12.760 5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.357 -13.507 3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.310 -13.049 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.018 -12.054 3.628 1.00 0.00 H new ATOM 152 N ASP A 13 6.969 -10.133 2.271 1.00 0.00 N ATOM 153 CA ASP A 13 8.016 -9.159 1.987 1.00 0.00 C ATOM 154 C ASP A 13 7.440 -7.748 1.913 1.00 0.00 C ATOM 155 O ASP A 13 7.810 -6.875 2.697 1.00 0.00 O ATOM 156 CB ASP A 13 8.722 -9.505 0.675 1.00 0.00 C ATOM 157 CG ASP A 13 9.956 -8.656 0.441 1.00 0.00 C ATOM 158 OD1 ASP A 13 10.837 -8.633 1.326 1.00 0.00 O ATOM 159 OD2 ASP A 13 10.042 -8.017 -0.628 1.00 0.00 O ATOM 0 H ASP A 13 6.645 -10.653 1.456 1.00 0.00 H new ATOM 0 HA ASP A 13 8.741 -9.194 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.005 -10.558 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.028 -9.369 -0.155 1.00 0.00 H new ATOM 164 N MET A 14 6.534 -7.534 0.965 1.00 0.00 N ATOM 165 CA MET A 14 5.907 -6.229 0.789 1.00 0.00 C ATOM 166 C MET A 14 5.461 -5.654 2.130 1.00 0.00 C ATOM 167 O MET A 14 5.808 -4.526 2.481 1.00 0.00 O ATOM 168 CB MET A 14 4.708 -6.338 -0.155 1.00 0.00 C ATOM 169 CG MET A 14 3.849 -5.085 -0.195 1.00 0.00 C ATOM 170 SD MET A 14 2.170 -5.411 -0.765 1.00 0.00 S ATOM 171 CE MET A 14 1.514 -6.333 0.623 1.00 0.00 C ATOM 0 H MET A 14 6.218 -8.247 0.307 1.00 0.00 H new ATOM 0 HA MET A 14 6.645 -5.556 0.352 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.067 -6.555 -1.161 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.090 -7.182 0.152 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.811 -4.643 0.801 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.315 -4.351 -0.852 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.428 -6.244 0.638 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.790 -7.383 0.526 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.924 -5.934 1.551 1.00 0.00 H new ATOM 181 N LYS A 15 4.690 -6.438 2.878 1.00 0.00 N ATOM 182 CA LYS A 15 4.198 -6.008 4.181 1.00 0.00 C ATOM 183 C LYS A 15 5.263 -5.216 4.932 1.00 0.00 C ATOM 184 O LYS A 15 5.027 -4.085 5.357 1.00 0.00 O ATOM 185 CB LYS A 15 3.768 -7.220 5.011 1.00 0.00 C ATOM 186 CG LYS A 15 2.708 -8.074 4.337 1.00 0.00 C ATOM 187 CD LYS A 15 2.285 -9.236 5.219 1.00 0.00 C ATOM 188 CE LYS A 15 1.730 -10.388 4.395 1.00 0.00 C ATOM 189 NZ LYS A 15 1.145 -11.454 5.255 1.00 0.00 N ATOM 0 H LYS A 15 4.393 -7.374 2.603 1.00 0.00 H new ATOM 0 HA LYS A 15 3.336 -5.360 4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.642 -7.837 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.387 -6.875 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.839 -7.459 4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.094 -8.455 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.139 -9.582 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.530 -8.899 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.967 -10.012 3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.525 -10.812 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.778 -12.221 4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.879 -11.831 5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.369 -11.056 5.822 1.00 0.00 H new ATOM 203 N LYS A 16 6.438 -5.817 5.090 1.00 0.00 N ATOM 204 CA LYS A 16 7.542 -5.167 5.787 1.00 0.00 C ATOM 205 C LYS A 16 7.987 -3.909 5.048 1.00 0.00 C ATOM 206 O LYS A 16 7.755 -2.792 5.509 1.00 0.00 O ATOM 207 CB LYS A 16 8.721 -6.133 5.929 1.00 0.00 C ATOM 208 CG LYS A 16 10.041 -5.442 6.225 1.00 0.00 C ATOM 209 CD LYS A 16 10.997 -6.360 6.967 1.00 0.00 C ATOM 210 CE LYS A 16 11.928 -5.577 7.879 1.00 0.00 C ATOM 211 NZ LYS A 16 13.164 -5.143 7.171 1.00 0.00 N ATOM 0 H LYS A 16 6.650 -6.753 4.745 1.00 0.00 H new ATOM 0 HA LYS A 16 7.194 -4.880 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.505 -6.842 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.820 -6.709 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.499 -5.116 5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.859 -4.547 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.428 -7.079 7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.585 -6.931 6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.406 -4.702 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.198 -6.193 8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.772 -4.613 7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.676 -5.979 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.908 -4.534 6.367 1.00 0.00 H new ATOM 225 N TYR A 17 8.626 -4.099 3.899 1.00 0.00 N ATOM 226 CA TYR A 17 9.104 -2.979 3.097 1.00 0.00 C ATOM 227 C TYR A 17 8.070 -1.858 3.055 1.00 0.00 C ATOM 228 O TYR A 17 8.318 -0.752 3.534 1.00 0.00 O ATOM 229 CB TYR A 17 9.427 -3.444 1.676 1.00 0.00 C ATOM 230 CG TYR A 17 9.535 -2.313 0.678 1.00 0.00 C ATOM 231 CD1 TYR A 17 8.418 -1.861 -0.014 1.00 0.00 C ATOM 232 CD2 TYR A 17 10.754 -1.694 0.429 1.00 0.00 C ATOM 233 CE1 TYR A 17 8.513 -0.829 -0.926 1.00 0.00 C ATOM 234 CE2 TYR A 17 10.858 -0.660 -0.480 1.00 0.00 C ATOM 235 CZ TYR A 17 9.735 -0.231 -1.156 1.00 0.00 C ATOM 236 OH TYR A 17 9.833 0.799 -2.063 1.00 0.00 O ATOM 0 H TYR A 17 8.825 -5.017 3.502 1.00 0.00 H new ATOM 0 HA TYR A 17 10.012 -2.594 3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.366 -3.997 1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.653 -4.137 1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.459 -2.325 0.165 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.636 -2.028 0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.635 -0.491 -1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.813 -0.190 -0.661 1.00 0.00 H new ATOM 0 HH TYR A 17 10.761 1.110 -2.106 1.00 0.00 H new ATOM 246 N ALA A 18 6.910 -2.154 2.478 1.00 0.00 N ATOM 247 CA ALA A 18 5.837 -1.173 2.375 1.00 0.00 C ATOM 248 C ALA A 18 5.627 -0.447 3.699 1.00 0.00 C ATOM 249 O ALA A 18 5.303 0.740 3.722 1.00 0.00 O ATOM 250 CB ALA A 18 4.547 -1.847 1.931 1.00 0.00 C ATOM 0 H ALA A 18 6.690 -3.065 2.075 1.00 0.00 H new ATOM 0 HA ALA A 18 6.125 -0.434 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.754 -1.103 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.697 -2.314 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.265 -2.608 2.659 1.00 0.00 H new ATOM 256 N GLU A 19 5.815 -1.168 4.800 1.00 0.00 N ATOM 257 CA GLU A 19 5.645 -0.591 6.129 1.00 0.00 C ATOM 258 C GLU A 19 6.788 0.364 6.458 1.00 0.00 C ATOM 259 O GLU A 19 6.577 1.562 6.652 1.00 0.00 O ATOM 260 CB GLU A 19 5.570 -1.697 7.184 1.00 0.00 C ATOM 261 CG GLU A 19 5.109 -1.208 8.546 1.00 0.00 C ATOM 262 CD GLU A 19 5.152 -2.296 9.602 1.00 0.00 C ATOM 263 OE1 GLU A 19 4.318 -3.223 9.534 1.00 0.00 O ATOM 264 OE2 GLU A 19 6.021 -2.221 10.495 1.00 0.00 O ATOM 0 H GLU A 19 6.085 -2.152 4.798 1.00 0.00 H new ATOM 0 HA GLU A 19 4.711 -0.028 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.889 -2.474 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.553 -2.157 7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.738 -0.376 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.092 -0.825 8.465 1.00 0.00 H new ATOM 271 N THR A 20 8.002 -0.174 6.519 1.00 0.00 N ATOM 272 CA THR A 20 9.180 0.628 6.826 1.00 0.00 C ATOM 273 C THR A 20 9.408 1.698 5.764 1.00 0.00 C ATOM 274 O THR A 20 10.169 2.643 5.974 1.00 0.00 O ATOM 275 CB THR A 20 10.443 -0.246 6.937 1.00 0.00 C ATOM 276 OG1 THR A 20 11.568 0.562 7.299 1.00 0.00 O ATOM 277 CG2 THR A 20 10.725 -0.959 5.623 1.00 0.00 C ATOM 0 H THR A 20 8.195 -1.163 6.360 1.00 0.00 H new ATOM 0 HA THR A 20 8.994 1.107 7.787 1.00 0.00 H new ATOM 0 HB THR A 20 10.272 -0.996 7.709 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.381 1.499 7.083 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.622 -1.570 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.879 -1.596 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.877 -0.222 4.834 1.00 0.00 H new ATOM 285 N PHE A 21 8.744 1.544 4.623 1.00 0.00 N ATOM 286 CA PHE A 21 8.875 2.497 3.527 1.00 0.00 C ATOM 287 C PHE A 21 7.785 3.562 3.600 1.00 0.00 C ATOM 288 O PHE A 21 8.001 4.714 3.220 1.00 0.00 O ATOM 289 CB PHE A 21 8.807 1.772 2.182 1.00 0.00 C ATOM 290 CG PHE A 21 8.481 2.678 1.029 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.335 3.712 0.680 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.321 2.495 0.293 1.00 0.00 C ATOM 293 CE1 PHE A 21 9.038 4.547 -0.380 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.018 3.327 -0.768 1.00 0.00 C ATOM 295 CZ PHE A 21 7.878 4.354 -1.106 1.00 0.00 C ATOM 0 H PHE A 21 8.110 0.768 4.433 1.00 0.00 H new ATOM 0 HA PHE A 21 9.844 2.987 3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.763 1.285 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.055 0.985 2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.243 3.867 1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.646 1.693 0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.712 5.350 -0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.110 3.175 -1.332 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.644 5.005 -1.936 1.00 0.00 H new ATOM 305 N LEU A 22 6.615 3.170 4.090 1.00 0.00 N ATOM 306 CA LEU A 22 5.489 4.090 4.212 1.00 0.00 C ATOM 307 C LEU A 22 5.406 4.664 5.623 1.00 0.00 C ATOM 308 O LEU A 22 4.563 5.514 5.908 1.00 0.00 O ATOM 309 CB LEU A 22 4.182 3.377 3.862 1.00 0.00 C ATOM 310 CG LEU A 22 4.020 2.951 2.402 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.826 2.022 2.246 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.869 4.171 1.504 1.00 0.00 C ATOM 0 H LEU A 22 6.420 2.221 4.410 1.00 0.00 H new ATOM 0 HA LEU A 22 5.646 4.912 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.096 2.490 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.352 4.034 4.122 1.00 0.00 H new ATOM 0 HG LEU A 22 4.917 2.410 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.727 1.730 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.974 1.133 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.920 2.537 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.755 3.849 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.989 4.739 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.755 4.800 1.593 1.00 0.00 H new ATOM 324 N GLU A 23 6.288 4.195 6.500 1.00 0.00 N ATOM 325 CA GLU A 23 6.315 4.663 7.881 1.00 0.00 C ATOM 326 C GLU A 23 6.189 6.183 7.942 1.00 0.00 C ATOM 327 O GLU A 23 5.284 6.731 8.570 1.00 0.00 O ATOM 328 CB GLU A 23 7.607 4.219 8.569 1.00 0.00 C ATOM 329 CG GLU A 23 7.472 2.913 9.334 1.00 0.00 C ATOM 330 CD GLU A 23 8.568 2.725 10.364 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.547 3.499 10.338 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.446 1.802 11.198 1.00 0.00 O ATOM 0 H GLU A 23 6.993 3.492 6.279 1.00 0.00 H new ATOM 0 HA GLU A 23 5.465 4.223 8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.390 4.111 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.930 5.001 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.503 2.886 9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.493 2.080 8.631 1.00 0.00 H new ATOM 339 N PRO A 24 7.121 6.880 7.275 1.00 0.00 N ATOM 340 CA PRO A 24 7.137 8.345 7.238 1.00 0.00 C ATOM 341 C PRO A 24 5.983 8.917 6.421 1.00 0.00 C ATOM 342 O PRO A 24 5.775 10.130 6.388 1.00 0.00 O ATOM 343 CB PRO A 24 8.476 8.669 6.570 1.00 0.00 C ATOM 344 CG PRO A 24 8.790 7.465 5.750 1.00 0.00 C ATOM 345 CD PRO A 24 8.229 6.292 6.504 1.00 0.00 C ATOM 0 HA PRO A 24 7.025 8.779 8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.403 9.563 5.950 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.253 8.857 7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.344 7.541 4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.866 7.359 5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.879 5.511 5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.976 5.839 7.156 1.00 0.00 H new ATOM 353 N TRP A 25 5.235 8.037 5.766 1.00 0.00 N ATOM 354 CA TRP A 25 4.101 8.456 4.949 1.00 0.00 C ATOM 355 C TRP A 25 2.782 8.122 5.638 1.00 0.00 C ATOM 356 O TRP A 25 1.741 8.695 5.317 1.00 0.00 O ATOM 357 CB TRP A 25 4.158 7.783 3.577 1.00 0.00 C ATOM 358 CG TRP A 25 4.926 8.573 2.560 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.460 9.613 1.808 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.294 8.383 2.183 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.456 10.083 0.986 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.591 9.345 1.197 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.297 7.497 2.582 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.849 9.442 0.608 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.545 7.594 1.996 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.812 8.561 1.018 1.00 0.00 C ATOM 0 H TRP A 25 5.393 7.029 5.784 1.00 0.00 H new ATOM 0 HA TRP A 25 4.159 9.537 4.818 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.614 6.798 3.682 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.142 7.627 3.214 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.456 10.008 1.853 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.365 10.856 0.326 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.101 6.749 3.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 8.057 10.187 -0.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.327 6.913 2.297 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.797 8.612 0.579 1.00 0.00 H new ATOM 377 N PHE A 26 2.833 7.193 6.586 1.00 0.00 N ATOM 378 CA PHE A 26 1.642 6.783 7.320 1.00 0.00 C ATOM 379 C PHE A 26 1.907 6.765 8.822 1.00 0.00 C ATOM 380 O PHE A 26 1.076 7.204 9.617 1.00 0.00 O ATOM 381 CB PHE A 26 1.182 5.399 6.855 1.00 0.00 C ATOM 382 CG PHE A 26 0.446 5.421 5.546 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.539 6.365 5.305 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.739 4.497 4.556 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.218 6.388 4.101 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.065 4.515 3.350 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.916 5.461 3.123 1.00 0.00 C ATOM 0 H PHE A 26 3.687 6.709 6.864 1.00 0.00 H new ATOM 0 HA PHE A 26 0.854 7.508 7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.051 4.748 6.763 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.537 4.964 7.618 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.779 7.092 6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.503 3.754 4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.983 7.130 3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.305 3.791 2.586 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.446 5.475 2.182 1.00 0.00 H new ATOM 397 N LYS A 27 3.072 6.252 9.205 1.00 0.00 N ATOM 398 CA LYS A 27 3.450 6.176 10.611 1.00 0.00 C ATOM 399 C LYS A 27 3.866 7.546 11.138 1.00 0.00 C ATOM 400 O LYS A 27 4.612 8.272 10.483 1.00 0.00 O ATOM 401 CB LYS A 27 4.593 5.177 10.800 1.00 0.00 C ATOM 402 CG LYS A 27 4.717 4.654 12.220 1.00 0.00 C ATOM 403 CD LYS A 27 6.028 3.916 12.432 1.00 0.00 C ATOM 404 CE LYS A 27 6.432 3.906 13.898 1.00 0.00 C ATOM 405 NZ LYS A 27 7.513 2.918 14.169 1.00 0.00 N ATOM 0 H LYS A 27 3.771 5.883 8.560 1.00 0.00 H new ATOM 0 HA LYS A 27 2.582 5.837 11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.444 4.335 10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.531 5.653 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.649 5.485 12.922 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.884 3.986 12.436 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.932 2.891 12.073 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.812 4.389 11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.768 4.901 14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.563 3.671 14.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.142 2.154 14.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.852 2.519 13.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.300 3.390 14.657 1.00 0.00 H new ATOM 419 N ALA A 28 3.378 7.891 12.325 1.00 0.00 N ATOM 420 CA ALA A 28 3.702 9.172 12.940 1.00 0.00 C ATOM 421 C ALA A 28 5.177 9.512 12.755 1.00 0.00 C ATOM 422 O ALA A 28 6.019 8.639 12.543 1.00 0.00 O ATOM 423 CB ALA A 28 3.344 9.152 14.419 1.00 0.00 C ATOM 0 H ALA A 28 2.757 7.302 12.880 1.00 0.00 H new ATOM 0 HA ALA A 28 3.113 9.945 12.445 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.591 10.115 14.866 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.277 8.962 14.532 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.908 8.364 14.919 1.00 0.00 H new ATOM 429 N PRO A 29 5.500 10.812 12.836 1.00 0.00 N ATOM 430 CA PRO A 29 4.506 11.860 13.087 1.00 0.00 C ATOM 431 C PRO A 29 3.568 12.066 11.903 1.00 0.00 C ATOM 432 O PRO A 29 2.656 12.890 11.957 1.00 0.00 O ATOM 433 CB PRO A 29 5.360 13.110 13.317 1.00 0.00 C ATOM 434 CG PRO A 29 6.630 12.841 12.587 1.00 0.00 C ATOM 435 CD PRO A 29 6.859 11.358 12.688 1.00 0.00 C ATOM 0 HA PRO A 29 3.854 11.612 13.925 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.865 14.003 12.935 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.541 13.276 14.379 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.556 13.154 11.546 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.459 13.395 13.028 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.355 10.967 11.800 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.488 11.106 13.541 1.00 0.00 H new ATOM 443 N ASN A 30 3.799 11.311 10.833 1.00 0.00 N ATOM 444 CA ASN A 30 2.974 11.411 9.635 1.00 0.00 C ATOM 445 C ASN A 30 1.686 10.609 9.792 1.00 0.00 C ATOM 446 O ASN A 30 1.654 9.595 10.490 1.00 0.00 O ATOM 447 CB ASN A 30 3.750 10.916 8.413 1.00 0.00 C ATOM 448 CG ASN A 30 4.758 11.935 7.917 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.564 12.560 6.874 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.843 12.106 8.664 1.00 0.00 N ATOM 0 H ASN A 30 4.550 10.624 10.772 1.00 0.00 H new ATOM 0 HA ASN A 30 2.713 12.459 9.491 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.267 9.990 8.665 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.049 10.682 7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.557 12.777 8.380 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.962 11.566 9.521 1.00 0.00 H new ATOM 457 N LYS A 31 0.625 11.070 9.139 1.00 0.00 N ATOM 458 CA LYS A 31 -0.667 10.395 9.204 1.00 0.00 C ATOM 459 C LYS A 31 -1.671 11.052 8.263 1.00 0.00 C ATOM 460 O LYS A 31 -1.434 12.145 7.750 1.00 0.00 O ATOM 461 CB LYS A 31 -1.205 10.416 10.636 1.00 0.00 C ATOM 462 CG LYS A 31 -1.134 11.784 11.293 1.00 0.00 C ATOM 463 CD LYS A 31 -2.250 11.975 12.306 1.00 0.00 C ATOM 464 CE LYS A 31 -3.565 12.324 11.626 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.648 12.585 12.615 1.00 0.00 N ATOM 0 H LYS A 31 0.634 11.909 8.558 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.525 9.361 8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.241 10.078 10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.641 9.704 11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.169 11.902 11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.198 12.559 10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.372 11.063 12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.978 12.767 13.004 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.427 13.204 10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.862 11.507 10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.432 11.921 12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.277 12.456 13.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.992 13.560 12.504 1.00 0.00 H new ATOM 479 N GLY A 32 -2.796 10.378 8.040 1.00 0.00 N ATOM 480 CA GLY A 32 -3.820 10.913 7.162 1.00 0.00 C ATOM 481 C GLY A 32 -4.548 9.828 6.393 1.00 0.00 C ATOM 482 O GLY A 32 -4.616 8.681 6.836 1.00 0.00 O ATOM 0 H GLY A 32 -3.016 9.471 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.539 11.481 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.364 11.609 6.458 1.00 0.00 H new ATOM 486 N THR A 33 -5.098 10.191 5.238 1.00 0.00 N ATOM 487 CA THR A 33 -5.828 9.242 4.408 1.00 0.00 C ATOM 488 C THR A 33 -5.001 8.820 3.199 1.00 0.00 C ATOM 489 O THR A 33 -3.943 9.388 2.929 1.00 0.00 O ATOM 490 CB THR A 33 -7.164 9.833 3.921 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.948 11.127 3.348 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.158 9.940 5.067 1.00 0.00 C ATOM 0 H THR A 33 -5.051 11.136 4.857 1.00 0.00 H new ATOM 0 HA THR A 33 -6.031 8.369 5.029 1.00 0.00 H new ATOM 0 HB THR A 33 -7.576 9.166 3.164 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.663 11.325 2.708 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.094 10.360 4.699 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.343 8.949 5.482 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.750 10.588 5.843 1.00 0.00 H new ATOM 500 N PHE A 34 -5.491 7.821 2.472 1.00 0.00 N ATOM 501 CA PHE A 34 -4.796 7.322 1.291 1.00 0.00 C ATOM 502 C PHE A 34 -5.706 6.416 0.467 1.00 0.00 C ATOM 503 O PHE A 34 -6.792 6.042 0.910 1.00 0.00 O ATOM 504 CB PHE A 34 -3.533 6.561 1.699 1.00 0.00 C ATOM 505 CG PHE A 34 -3.786 5.476 2.706 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.192 5.789 3.994 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.617 4.144 2.366 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.426 4.794 4.923 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.850 3.144 3.292 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.254 3.469 4.572 1.00 0.00 C ATOM 0 H PHE A 34 -6.367 7.341 2.680 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.513 8.178 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.080 6.122 0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.811 7.266 2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.327 6.823 4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.300 3.884 1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.743 5.052 5.923 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.716 2.109 3.014 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.435 2.689 5.297 1.00 0.00 H new ATOM 520 N GLN A 35 -5.255 6.068 -0.734 1.00 0.00 N ATOM 521 CA GLN A 35 -6.029 5.207 -1.620 1.00 0.00 C ATOM 522 C GLN A 35 -5.129 4.186 -2.309 1.00 0.00 C ATOM 523 O GLN A 35 -4.288 4.542 -3.135 1.00 0.00 O ATOM 524 CB GLN A 35 -6.763 6.046 -2.668 1.00 0.00 C ATOM 525 CG GLN A 35 -5.838 6.902 -3.519 1.00 0.00 C ATOM 526 CD GLN A 35 -6.593 7.878 -4.399 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.410 9.092 -4.299 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.447 7.352 -5.269 1.00 0.00 N ATOM 0 H GLN A 35 -4.358 6.369 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.761 4.671 -1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.332 5.382 -3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.482 6.692 -2.165 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.160 7.454 -2.869 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.223 6.255 -4.145 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.567 6.340 -5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.983 7.960 -5.889 1.00 0.00 H new ATOM 537 N ILE A 36 -5.312 2.916 -1.963 1.00 0.00 N ATOM 538 CA ILE A 36 -4.517 1.843 -2.548 1.00 0.00 C ATOM 539 C ILE A 36 -5.101 1.392 -3.882 1.00 0.00 C ATOM 540 O ILE A 36 -6.319 1.334 -4.051 1.00 0.00 O ATOM 541 CB ILE A 36 -4.425 0.630 -1.604 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.738 1.026 -0.295 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.676 -0.510 -2.277 1.00 0.00 C ATOM 544 CD1 ILE A 36 -4.043 0.091 0.854 1.00 0.00 C ATOM 0 H ILE A 36 -6.004 2.605 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.516 2.244 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.435 0.290 -1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.660 1.054 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.046 2.035 -0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.619 -1.360 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.203 -0.806 -3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.668 -0.182 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.523 0.433 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.117 0.081 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.709 -0.916 0.602 1.00 0.00 H new ATOM 556 N VAL A 37 -4.224 1.070 -4.828 1.00 0.00 N ATOM 557 CA VAL A 37 -4.652 0.620 -6.147 1.00 0.00 C ATOM 558 C VAL A 37 -3.717 -0.455 -6.691 1.00 0.00 C ATOM 559 O VAL A 37 -2.497 -0.292 -6.683 1.00 0.00 O ATOM 560 CB VAL A 37 -4.710 1.789 -7.148 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.026 1.280 -8.546 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.736 2.820 -6.702 1.00 0.00 C ATOM 0 H VAL A 37 -3.212 1.113 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.652 0.202 -6.030 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.733 2.271 -7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.063 2.120 -9.239 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.251 0.582 -8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.991 0.773 -8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.764 3.639 -7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.719 2.353 -6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.460 3.207 -5.721 1.00 0.00 H new ATOM 572 N TYR A 38 -4.298 -1.552 -7.164 1.00 0.00 N ATOM 573 CA TYR A 38 -3.517 -2.655 -7.711 1.00 0.00 C ATOM 574 C TYR A 38 -3.376 -2.524 -9.224 1.00 0.00 C ATOM 575 O TYR A 38 -4.348 -2.666 -9.966 1.00 0.00 O ATOM 576 CB TYR A 38 -4.171 -3.993 -7.362 1.00 0.00 C ATOM 577 CG TYR A 38 -3.483 -5.185 -7.988 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.334 -5.725 -7.423 1.00 0.00 C ATOM 579 CD2 TYR A 38 -3.982 -5.772 -9.145 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.701 -6.813 -7.993 1.00 0.00 C ATOM 581 CE2 TYR A 38 -3.357 -6.861 -9.720 1.00 0.00 C ATOM 582 CZ TYR A 38 -2.217 -7.378 -9.141 1.00 0.00 C ATOM 583 OH TYR A 38 -1.591 -8.463 -9.710 1.00 0.00 O ATOM 0 H TYR A 38 -5.307 -1.701 -7.180 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.522 -2.618 -7.267 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.175 -4.114 -6.279 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.212 -3.974 -7.685 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.929 -5.287 -6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.874 -5.369 -9.602 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.807 -7.219 -7.542 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.759 -7.306 -10.618 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.082 -8.740 -10.512 1.00 0.00 H new ATOM 593 N LYS A 39 -2.156 -2.254 -9.677 1.00 0.00 N ATOM 594 CA LYS A 39 -1.883 -2.105 -11.102 1.00 0.00 C ATOM 595 C LYS A 39 -0.946 -3.204 -11.593 1.00 0.00 C ATOM 596 O LYS A 39 0.238 -3.219 -11.256 1.00 0.00 O ATOM 597 CB LYS A 39 -1.270 -0.732 -11.384 1.00 0.00 C ATOM 598 CG LYS A 39 -2.186 0.427 -11.033 1.00 0.00 C ATOM 599 CD LYS A 39 -1.442 1.752 -11.050 1.00 0.00 C ATOM 600 CE LYS A 39 -1.396 2.347 -12.449 1.00 0.00 C ATOM 601 NZ LYS A 39 -0.905 3.753 -12.438 1.00 0.00 N ATOM 0 H LYS A 39 -1.340 -2.134 -9.077 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.828 -2.190 -11.639 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.343 -0.635 -10.820 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.008 -0.670 -12.440 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.014 0.465 -11.741 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.618 0.264 -10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.929 2.453 -10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.426 1.605 -10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.747 1.741 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.392 2.314 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.888 4.123 -13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.539 4.337 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.055 3.782 -12.040 1.00 0.00 H new ATOM 760 N GLU A 49 -6.606 -8.375 -4.383 1.00 0.00 N ATOM 761 CA GLU A 49 -7.278 -8.141 -3.110 1.00 0.00 C ATOM 762 C GLU A 49 -6.311 -8.319 -1.943 1.00 0.00 C ATOM 763 O GLU A 49 -6.031 -7.373 -1.207 1.00 0.00 O ATOM 764 CB GLU A 49 -8.465 -9.094 -2.952 1.00 0.00 C ATOM 765 CG GLU A 49 -9.485 -8.987 -4.074 1.00 0.00 C ATOM 766 CD GLU A 49 -10.776 -9.716 -3.760 1.00 0.00 C ATOM 767 OE1 GLU A 49 -10.716 -10.761 -3.077 1.00 0.00 O ATOM 768 OE2 GLU A 49 -11.846 -9.244 -4.196 1.00 0.00 O ATOM 0 HA GLU A 49 -7.642 -7.114 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.094 -10.118 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.959 -8.891 -2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.703 -7.936 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.056 -9.394 -4.990 1.00 0.00 H new ATOM 775 N GLU A 50 -5.805 -9.537 -1.781 1.00 0.00 N ATOM 776 CA GLU A 50 -4.871 -9.839 -0.703 1.00 0.00 C ATOM 777 C GLU A 50 -3.843 -8.722 -0.546 1.00 0.00 C ATOM 778 O GLU A 50 -3.514 -8.318 0.569 1.00 0.00 O ATOM 779 CB GLU A 50 -4.160 -11.167 -0.971 1.00 0.00 C ATOM 780 CG GLU A 50 -5.087 -12.371 -0.941 1.00 0.00 C ATOM 781 CD GLU A 50 -5.905 -12.445 0.334 1.00 0.00 C ATOM 782 OE1 GLU A 50 -6.909 -11.711 0.440 1.00 0.00 O ATOM 783 OE2 GLU A 50 -5.540 -13.240 1.226 1.00 0.00 O ATOM 0 H GLU A 50 -6.026 -10.331 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.439 -9.920 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.673 -11.118 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.374 -11.305 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.759 -12.329 -1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.497 -13.282 -1.043 1.00 0.00 H new ATOM 790 N VAL A 51 -3.337 -8.228 -1.672 1.00 0.00 N ATOM 791 CA VAL A 51 -2.347 -7.158 -1.661 1.00 0.00 C ATOM 792 C VAL A 51 -2.951 -5.856 -1.148 1.00 0.00 C ATOM 793 O VAL A 51 -2.530 -5.328 -0.118 1.00 0.00 O ATOM 794 CB VAL A 51 -1.761 -6.921 -3.065 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.757 -5.778 -3.039 1.00 0.00 C ATOM 796 CG2 VAL A 51 -1.118 -8.194 -3.595 1.00 0.00 C ATOM 0 H VAL A 51 -3.597 -8.552 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.548 -7.473 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.573 -6.644 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.354 -5.625 -4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.252 -4.866 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.055 -6.022 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.709 -8.009 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.316 -8.503 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.867 -8.983 -3.653 1.00 0.00 H new ATOM 806 N ILE A 52 -3.941 -5.343 -1.871 1.00 0.00 N ATOM 807 CA ILE A 52 -4.604 -4.103 -1.488 1.00 0.00 C ATOM 808 C ILE A 52 -5.132 -4.181 -0.060 1.00 0.00 C ATOM 809 O ILE A 52 -4.732 -3.400 0.804 1.00 0.00 O ATOM 810 CB ILE A 52 -5.771 -3.773 -2.437 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.264 -3.633 -3.874 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.472 -2.498 -1.991 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.343 -3.827 -4.917 1.00 0.00 C ATOM 0 H ILE A 52 -4.302 -5.767 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.857 -3.312 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.490 -4.591 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.822 -2.645 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.471 -4.361 -4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.294 -2.278 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.862 -2.631 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.762 -1.671 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.912 -3.714 -5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.770 -4.825 -4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.126 -3.082 -4.774 1.00 0.00 H new ATOM 825 N ARG A 53 -6.031 -5.129 0.183 1.00 0.00 N ATOM 826 CA ARG A 53 -6.613 -5.310 1.507 1.00 0.00 C ATOM 827 C ARG A 53 -5.535 -5.262 2.586 1.00 0.00 C ATOM 828 O ARG A 53 -5.658 -4.530 3.567 1.00 0.00 O ATOM 829 CB ARG A 53 -7.365 -6.640 1.580 1.00 0.00 C ATOM 830 CG ARG A 53 -8.445 -6.789 0.521 1.00 0.00 C ATOM 831 CD ARG A 53 -9.599 -5.829 0.765 1.00 0.00 C ATOM 832 NE ARG A 53 -9.317 -4.491 0.253 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.200 -3.499 0.263 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.415 -3.693 0.757 1.00 0.00 N ATOM 835 NH2 ARG A 53 -9.868 -2.309 -0.221 1.00 0.00 N ATOM 0 H ARG A 53 -6.372 -5.784 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.315 -4.494 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.651 -7.457 1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.819 -6.737 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.018 -6.604 -0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.816 -7.814 0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.500 -6.217 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.803 -5.772 1.834 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.391 -4.308 -0.134 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.674 -4.606 1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.091 -2.929 0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.934 -2.156 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.547 -1.548 -0.213 1.00 0.00 H new ATOM 849 N GLU A 54 -4.480 -6.048 2.396 1.00 0.00 N ATOM 850 CA GLU A 54 -3.382 -6.096 3.354 1.00 0.00 C ATOM 851 C GLU A 54 -2.712 -4.731 3.482 1.00 0.00 C ATOM 852 O GLU A 54 -2.729 -4.116 4.549 1.00 0.00 O ATOM 853 CB GLU A 54 -2.351 -7.144 2.931 1.00 0.00 C ATOM 854 CG GLU A 54 -1.061 -7.088 3.731 1.00 0.00 C ATOM 855 CD GLU A 54 -1.165 -7.818 5.057 1.00 0.00 C ATOM 856 OE1 GLU A 54 -1.212 -9.066 5.044 1.00 0.00 O ATOM 857 OE2 GLU A 54 -1.198 -7.142 6.106 1.00 0.00 O ATOM 0 H GLU A 54 -4.363 -6.660 1.588 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.793 -6.373 4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.790 -8.136 3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.119 -7.008 1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.254 -7.524 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.796 -6.047 3.914 1.00 0.00 H new ATOM 864 N LEU A 55 -2.122 -4.263 2.388 1.00 0.00 N ATOM 865 CA LEU A 55 -1.445 -2.971 2.376 1.00 0.00 C ATOM 866 C LEU A 55 -2.165 -1.971 3.275 1.00 0.00 C ATOM 867 O LEU A 55 -1.535 -1.117 3.899 1.00 0.00 O ATOM 868 CB LEU A 55 -1.366 -2.427 0.948 1.00 0.00 C ATOM 869 CG LEU A 55 -0.148 -2.859 0.131 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.453 -2.794 -1.357 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.056 -1.992 0.469 1.00 0.00 C ATOM 0 H LEU A 55 -2.099 -4.759 1.497 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.435 -3.114 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.265 -2.735 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.380 -1.338 0.994 1.00 0.00 H new ATOM 0 HG LEU A 55 0.090 -3.891 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.425 -3.105 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.286 -3.458 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.717 -1.772 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.914 -2.314 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.829 -0.950 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.289 -2.090 1.529 1.00 0.00 H new ATOM 883 N ALA A 56 -3.487 -2.084 3.337 1.00 0.00 N ATOM 884 CA ALA A 56 -4.293 -1.193 4.162 1.00 0.00 C ATOM 885 C ALA A 56 -4.247 -1.611 5.628 1.00 0.00 C ATOM 886 O ALA A 56 -4.004 -0.790 6.511 1.00 0.00 O ATOM 887 CB ALA A 56 -5.730 -1.167 3.664 1.00 0.00 C ATOM 0 H ALA A 56 -4.023 -2.785 2.825 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.875 -0.189 4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.320 -0.497 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.752 -0.813 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.150 -2.172 3.712 1.00 0.00 H new ATOM 893 N GLY A 57 -4.482 -2.896 5.880 1.00 0.00 N ATOM 894 CA GLY A 57 -4.463 -3.400 7.241 1.00 0.00 C ATOM 895 C GLY A 57 -3.167 -3.082 7.959 1.00 0.00 C ATOM 896 O GLY A 57 -3.140 -2.975 9.186 1.00 0.00 O ATOM 0 H GLY A 57 -4.685 -3.596 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.297 -2.970 7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.612 -4.480 7.227 1.00 0.00 H new ATOM 900 N ILE A 58 -2.090 -2.933 7.195 1.00 0.00 N ATOM 901 CA ILE A 58 -0.785 -2.626 7.768 1.00 0.00 C ATOM 902 C ILE A 58 -0.683 -1.152 8.146 1.00 0.00 C ATOM 903 O ILE A 58 -0.362 -0.814 9.285 1.00 0.00 O ATOM 904 CB ILE A 58 0.353 -2.973 6.790 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.303 -4.457 6.421 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.701 -2.619 7.400 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.240 -4.832 5.294 1.00 0.00 C ATOM 0 H ILE A 58 -2.095 -3.020 6.179 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.682 -3.236 8.665 1.00 0.00 H new ATOM 0 HB ILE A 58 0.222 -2.387 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.551 -5.050 7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.716 -4.718 6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.496 -2.870 6.697 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.733 -1.551 7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.842 -3.182 8.323 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.151 -5.898 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.979 -4.265 4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.266 -4.603 5.582 1.00 0.00 H new ATOM 919 N VAL A 59 -0.961 -0.279 7.183 1.00 0.00 N ATOM 920 CA VAL A 59 -0.904 1.159 7.416 1.00 0.00 C ATOM 921 C VAL A 59 -1.398 1.510 8.814 1.00 0.00 C ATOM 922 O VAL A 59 -0.765 2.285 9.531 1.00 0.00 O ATOM 923 CB VAL A 59 -1.742 1.929 6.378 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.866 3.393 6.772 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.132 1.791 4.992 1.00 0.00 C ATOM 0 H VAL A 59 -1.228 -0.542 6.234 1.00 0.00 H new ATOM 0 HA VAL A 59 0.141 1.454 7.319 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.743 1.498 6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.461 3.921 6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.352 3.468 7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.874 3.840 6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.737 2.341 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.119 2.194 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.101 0.738 4.711 1.00 0.00 H new ATOM 935 N CYS A 60 -2.532 0.933 9.196 1.00 0.00 N ATOM 936 CA CYS A 60 -3.113 1.185 10.511 1.00 0.00 C ATOM 937 C CYS A 60 -2.104 0.892 11.616 1.00 0.00 C ATOM 938 O CYS A 60 -1.822 1.746 12.457 1.00 0.00 O ATOM 939 CB CYS A 60 -4.367 0.332 10.709 1.00 0.00 C ATOM 940 SG CYS A 60 -5.152 0.538 12.325 1.00 0.00 S ATOM 0 H CYS A 60 -3.067 0.288 8.615 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.387 2.239 10.564 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.089 0.581 9.932 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.104 -0.717 10.576 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.204 -0.222 12.396 1.00 0.00 H new ATOM 946 N THR A 61 -1.563 -0.322 11.610 1.00 0.00 N ATOM 947 CA THR A 61 -0.587 -0.729 12.613 1.00 0.00 C ATOM 948 C THR A 61 0.401 0.394 12.907 1.00 0.00 C ATOM 949 O THR A 61 0.951 0.479 14.005 1.00 0.00 O ATOM 950 CB THR A 61 0.192 -1.980 12.164 1.00 0.00 C ATOM 951 OG1 THR A 61 0.626 -2.724 13.308 1.00 0.00 O ATOM 952 CG2 THR A 61 1.396 -1.592 11.319 1.00 0.00 C ATOM 0 H THR A 61 -1.784 -1.041 10.921 1.00 0.00 H new ATOM 0 HA THR A 61 -1.145 -0.964 13.519 1.00 0.00 H new ATOM 0 HB THR A 61 -0.473 -2.598 11.560 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.119 -3.518 13.014 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.931 -2.491 11.013 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.060 -1.051 10.434 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.061 -0.955 11.903 1.00 0.00 H new ATOM 960 N LEU A 62 0.622 1.254 11.919 1.00 0.00 N ATOM 961 CA LEU A 62 1.545 2.374 12.071 1.00 0.00 C ATOM 962 C LEU A 62 0.928 3.474 12.930 1.00 0.00 C ATOM 963 O LEU A 62 1.369 3.719 14.052 1.00 0.00 O ATOM 964 CB LEU A 62 1.928 2.935 10.701 1.00 0.00 C ATOM 965 CG LEU A 62 2.455 1.921 9.684 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.607 2.568 8.316 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.781 1.338 10.151 1.00 0.00 C ATOM 0 H LEU A 62 0.175 1.198 11.004 1.00 0.00 H new ATOM 0 HA LEU A 62 2.443 2.009 12.570 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.054 3.426 10.274 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.687 3.704 10.845 1.00 0.00 H new ATOM 0 HG LEU A 62 1.733 1.109 9.601 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.983 1.832 7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.638 2.937 7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.309 3.399 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.141 0.619 9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.511 2.139 10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.641 0.838 11.109 1.00 0.00 H new ATOM 979 N ASN A 63 -0.094 4.132 12.394 1.00 0.00 N ATOM 980 CA ASN A 63 -0.773 5.205 13.112 1.00 0.00 C ATOM 981 C ASN A 63 -2.286 5.020 13.064 1.00 0.00 C ATOM 982 O ASN A 63 -2.877 4.929 11.988 1.00 0.00 O ATOM 983 CB ASN A 63 -0.395 6.563 12.517 1.00 0.00 C ATOM 984 CG ASN A 63 -0.432 7.676 13.547 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.141 7.586 14.549 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.334 8.733 13.303 1.00 0.00 N ATOM 0 H ASN A 63 -0.470 3.942 11.465 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.454 5.170 14.154 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.605 6.503 12.087 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.078 6.803 11.702 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.351 9.513 13.960 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.906 8.764 12.459 1.00 0.00 H new ATOM 993 N SER A 64 -2.908 4.966 14.237 1.00 0.00 N ATOM 994 CA SER A 64 -4.352 4.788 14.330 1.00 0.00 C ATOM 995 C SER A 64 -5.085 5.894 13.576 1.00 0.00 C ATOM 996 O SER A 64 -6.178 5.683 13.053 1.00 0.00 O ATOM 997 CB SER A 64 -4.793 4.776 15.795 1.00 0.00 C ATOM 998 OG SER A 64 -6.206 4.777 15.902 1.00 0.00 O ATOM 0 H SER A 64 -2.434 5.043 15.137 1.00 0.00 H new ATOM 0 HA SER A 64 -4.605 3.831 13.874 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.388 3.895 16.293 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.386 5.647 16.308 1.00 0.00 H new ATOM 0 HG SER A 64 -6.462 4.768 16.848 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.473 7.073 13.525 1.00 0.00 N ATOM 1005 CA GLU A 65 -5.067 8.212 12.836 1.00 0.00 C ATOM 1006 C GLU A 65 -5.196 7.937 11.340 1.00 0.00 C ATOM 1007 O GLU A 65 -6.009 8.552 10.653 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.226 9.470 13.064 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.334 10.027 14.473 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.622 10.793 14.700 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.592 10.558 13.949 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.661 11.628 15.628 1.00 0.00 O ATOM 0 H GLU A 65 -3.567 7.264 13.952 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.064 8.371 13.246 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.181 9.242 12.852 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.535 10.237 12.354 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.272 9.208 15.189 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.486 10.684 14.666 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.385 7.007 10.844 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.407 6.651 9.430 1.00 0.00 C ATOM 1021 C ASN A 66 -5.746 6.030 9.046 1.00 0.00 C ATOM 1022 O ASN A 66 -6.264 5.160 9.746 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.271 5.677 9.111 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.902 6.288 9.344 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.714 7.494 9.187 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.939 5.455 9.721 1.00 0.00 N ATOM 0 H ASN A 66 -3.706 6.487 11.400 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.270 7.563 8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.377 4.785 9.728 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.351 5.358 8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.002 5.808 9.893 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.141 4.462 9.839 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.303 6.484 7.928 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.582 5.973 7.448 1.00 0.00 C ATOM 1035 C LYS A 67 -7.650 6.023 5.925 1.00 0.00 C ATOM 1036 O LYS A 67 -7.797 7.093 5.334 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.735 6.782 8.047 1.00 0.00 C ATOM 1038 CG LYS A 67 -9.081 6.385 9.471 1.00 0.00 C ATOM 1039 CD LYS A 67 -10.308 7.127 9.974 1.00 0.00 C ATOM 1040 CE LYS A 67 -11.589 6.386 9.624 1.00 0.00 C ATOM 1041 NZ LYS A 67 -12.792 7.063 10.185 1.00 0.00 N ATOM 0 H LYS A 67 -5.889 7.205 7.337 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.672 4.934 7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.474 7.840 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.618 6.659 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.260 5.311 9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.234 6.595 10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.242 7.251 11.055 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.334 8.126 9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.684 6.316 8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.535 5.366 10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.645 6.528 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.714 7.107 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.858 8.027 9.801 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.544 4.857 5.294 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.596 4.767 3.840 1.00 0.00 C ATOM 1057 C VAL A 68 -8.937 5.259 3.307 1.00 0.00 C ATOM 1058 O VAL A 68 -9.992 4.750 3.686 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.364 3.323 3.358 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.281 2.359 4.095 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.570 3.223 1.854 1.00 0.00 C ATOM 0 H VAL A 68 -7.422 3.962 5.768 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.799 5.403 3.455 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.333 3.047 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.102 1.344 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.079 2.411 5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.320 2.631 3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.402 2.196 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.589 3.519 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.867 3.883 1.346 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.888 6.252 2.425 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.099 6.813 1.837 1.00 0.00 C ATOM 1073 C ASP A 69 -9.993 6.861 0.316 1.00 0.00 C ATOM 1074 O ASP A 69 -8.907 7.041 -0.236 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.356 8.216 2.388 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.829 8.576 2.393 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.613 7.857 3.046 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.198 9.576 1.741 1.00 0.00 O ATOM 0 H ASP A 69 -8.023 6.685 2.102 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.936 6.168 2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.966 8.281 3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.809 8.944 1.789 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.127 6.698 -0.356 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.162 6.722 -1.814 1.00 0.00 C ATOM 1085 C LEU A 70 -11.846 7.988 -2.322 1.00 0.00 C ATOM 1086 O LEU A 70 -12.045 8.160 -3.525 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.891 5.487 -2.347 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.438 4.143 -1.776 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.429 3.048 -2.138 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -10.045 3.792 -2.278 1.00 0.00 C ATOM 0 H LEU A 70 -12.034 6.548 0.085 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.134 6.715 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.956 5.604 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.771 5.458 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.400 4.226 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.090 2.099 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.409 3.294 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.500 2.965 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.739 2.832 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.056 3.728 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.341 4.564 -1.967 1.00 0.00 H new ATOM 1102 N THR A 71 -12.203 8.873 -1.396 1.00 0.00 N ATOM 1103 CA THR A 71 -12.864 10.124 -1.749 1.00 0.00 C ATOM 1104 C THR A 71 -11.929 11.312 -1.558 1.00 0.00 C ATOM 1105 O THR A 71 -11.703 12.092 -2.482 1.00 0.00 O ATOM 1106 CB THR A 71 -14.135 10.344 -0.909 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.000 9.208 -1.021 1.00 0.00 O ATOM 1108 CG2 THR A 71 -14.873 11.596 -1.361 1.00 0.00 C ATOM 0 H THR A 71 -12.046 8.747 -0.396 1.00 0.00 H new ATOM 0 HA THR A 71 -13.142 10.050 -2.800 1.00 0.00 H new ATOM 0 HB THR A 71 -13.838 10.472 0.132 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.805 9.356 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.768 11.731 -0.753 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.223 12.463 -1.246 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.158 11.492 -2.408 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.387 11.444 -0.351 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.475 12.539 -0.038 1.00 0.00 C ATOM 1118 C ASN A 72 -9.112 12.006 0.393 1.00 0.00 C ATOM 1119 O ASN A 72 -8.587 12.356 1.449 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.063 13.420 1.066 1.00 0.00 C ATOM 1121 CG ASN A 72 -11.923 14.541 0.514 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -12.148 14.630 -0.693 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -12.407 15.405 1.399 1.00 0.00 N ATOM 0 H ASN A 72 -11.563 10.807 0.426 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.343 13.137 -0.939 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.661 12.805 1.739 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.253 13.845 1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.991 16.181 1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.195 15.292 2.390 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.525 11.138 -0.444 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.215 10.539 -0.172 1.00 0.00 C ATOM 1132 C PRO A 73 -6.081 11.553 -0.272 1.00 0.00 C ATOM 1133 O PRO A 73 -5.976 12.285 -1.256 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.078 9.475 -1.264 1.00 0.00 C ATOM 1135 CG PRO A 73 -7.945 9.958 -2.375 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.093 10.675 -1.722 1.00 0.00 C ATOM 0 HA PRO A 73 -7.152 10.141 0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.042 9.370 -1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.401 8.497 -0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.394 10.625 -3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.300 9.126 -2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.445 11.508 -2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.944 10.012 -1.567 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.235 11.591 0.753 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.109 12.517 0.779 1.00 0.00 C ATOM 1146 C GLN A 74 -2.871 11.886 0.150 1.00 0.00 C ATOM 1147 O GLN A 74 -1.995 12.587 -0.358 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.805 12.942 2.217 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.727 14.034 2.736 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.197 15.426 2.459 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -3.160 15.592 1.815 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -4.907 16.438 2.945 1.00 0.00 N ATOM 0 H GLN A 74 -5.308 10.992 1.575 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.381 13.398 0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.883 12.072 2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.774 13.291 2.274 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.709 13.925 2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.864 13.909 3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.760 16.255 3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.599 17.398 2.790 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.804 10.560 0.189 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.672 9.835 -0.375 1.00 0.00 C ATOM 1163 C TYR A 75 -2.142 8.614 -1.159 1.00 0.00 C ATOM 1164 O TYR A 75 -2.809 7.732 -0.618 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.712 9.403 0.736 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.332 10.523 1.677 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.691 11.407 1.359 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.997 10.697 2.885 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.043 12.431 2.217 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.653 11.720 3.748 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.368 12.584 3.410 1.00 0.00 C ATOM 1172 OH TYR A 75 0.714 13.604 4.267 1.00 0.00 O ATOM 0 H TYR A 75 -3.520 9.965 0.605 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.149 10.504 -1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.172 8.598 1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.193 8.996 0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.220 11.292 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.796 10.022 3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.843 13.108 1.955 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.181 11.842 4.682 1.00 0.00 H new ATOM 0 HH TYR A 75 0.141 13.572 5.061 1.00 0.00 H new ATOM 1182 N THR A 76 -1.789 8.570 -2.440 1.00 0.00 N ATOM 1183 CA THR A 76 -2.175 7.460 -3.301 1.00 0.00 C ATOM 1184 C THR A 76 -1.063 6.421 -3.389 1.00 0.00 C ATOM 1185 O THR A 76 -0.035 6.649 -4.028 1.00 0.00 O ATOM 1186 CB THR A 76 -2.522 7.944 -4.722 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.495 8.993 -4.657 1.00 0.00 O ATOM 1188 CG2 THR A 76 -3.059 6.800 -5.568 1.00 0.00 C ATOM 0 H THR A 76 -1.236 9.291 -2.904 1.00 0.00 H new ATOM 0 HA THR A 76 -3.059 7.006 -2.854 1.00 0.00 H new ATOM 0 HB THR A 76 -1.611 8.321 -5.186 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.710 9.297 -5.564 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.297 7.166 -6.567 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.306 6.015 -5.639 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.960 6.397 -5.105 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.275 5.277 -2.745 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.291 4.202 -2.752 1.00 0.00 C ATOM 1198 C VAL A 77 -0.643 3.142 -3.790 1.00 0.00 C ATOM 1199 O VAL A 77 -1.499 2.289 -3.556 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.179 3.533 -1.369 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.852 4.250 -0.511 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.535 3.510 -0.679 1.00 0.00 C ATOM 0 H VAL A 77 -2.120 5.072 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 77 0.668 4.653 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 77 0.152 2.504 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.917 3.763 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.824 4.211 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.554 5.290 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.439 3.034 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.895 4.531 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.244 2.949 -1.288 1.00 0.00 H new ATOM 1212 N VAL A 78 0.024 3.201 -4.938 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.217 2.245 -6.012 1.00 0.00 C ATOM 1214 C VAL A 78 0.873 1.180 -6.054 1.00 0.00 C ATOM 1215 O VAL A 78 2.049 1.470 -5.835 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.287 2.946 -7.382 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.343 4.041 -7.368 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.073 3.511 -7.762 1.00 0.00 C ATOM 0 H VAL A 78 0.736 3.901 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.177 1.771 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.571 2.209 -8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.378 4.525 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.316 3.605 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.092 4.779 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.005 4.002 -8.732 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.389 4.234 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.801 2.702 -7.816 1.00 0.00 H new ATOM 1228 N VAL A 79 0.474 -0.056 -6.338 1.00 0.00 N ATOM 1229 CA VAL A 79 1.417 -1.166 -6.411 1.00 0.00 C ATOM 1230 C VAL A 79 1.511 -1.715 -7.830 1.00 0.00 C ATOM 1231 O VAL A 79 0.639 -2.459 -8.277 1.00 0.00 O ATOM 1232 CB VAL A 79 1.016 -2.307 -5.457 1.00 0.00 C ATOM 1233 CG1 VAL A 79 1.062 -1.835 -4.012 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.366 -2.835 -5.810 1.00 0.00 C ATOM 0 H VAL A 79 -0.496 -0.314 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 79 2.389 -0.775 -6.110 1.00 0.00 H new ATOM 0 HB VAL A 79 1.731 -3.122 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.776 -2.654 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.073 -1.509 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.370 -1.003 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.633 -3.641 -5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.096 -2.030 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.361 -3.214 -6.832 1.00 0.00 H new ATOM 1244 N GLU A 80 2.576 -1.343 -8.534 1.00 0.00 N ATOM 1245 CA GLU A 80 2.784 -1.799 -9.903 1.00 0.00 C ATOM 1246 C GLU A 80 3.601 -3.087 -9.930 1.00 0.00 C ATOM 1247 O GLU A 80 4.488 -3.288 -9.100 1.00 0.00 O ATOM 1248 CB GLU A 80 3.489 -0.716 -10.723 1.00 0.00 C ATOM 1249 CG GLU A 80 3.850 -1.158 -12.131 1.00 0.00 C ATOM 1250 CD GLU A 80 3.921 0.001 -13.106 1.00 0.00 C ATOM 1251 OE1 GLU A 80 3.263 1.032 -12.852 1.00 0.00 O ATOM 1252 OE2 GLU A 80 4.636 -0.122 -14.123 1.00 0.00 O ATOM 0 H GLU A 80 3.308 -0.727 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 80 1.808 -2.000 -10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.845 0.161 -10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.397 -0.411 -10.203 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.812 -1.671 -12.111 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.111 -1.879 -12.482 1.00 0.00 H new ATOM 1259 N ILE A 81 3.295 -3.955 -10.889 1.00 0.00 N ATOM 1260 CA ILE A 81 4.001 -5.223 -11.024 1.00 0.00 C ATOM 1261 C ILE A 81 4.814 -5.264 -12.314 1.00 0.00 C ATOM 1262 O ILE A 81 4.257 -5.381 -13.406 1.00 0.00 O ATOM 1263 CB ILE A 81 3.026 -6.415 -11.006 1.00 0.00 C ATOM 1264 CG1 ILE A 81 2.088 -6.316 -9.801 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.795 -7.727 -10.979 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.814 -6.199 -8.479 1.00 0.00 C ATOM 0 H ILE A 81 2.563 -3.803 -11.583 1.00 0.00 H new ATOM 0 HA ILE A 81 4.674 -5.303 -10.170 1.00 0.00 H new ATOM 0 HB ILE A 81 2.424 -6.388 -11.914 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.438 -5.450 -9.927 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.446 -7.196 -9.777 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.092 -8.560 -10.966 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.426 -7.797 -11.865 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.419 -7.765 -10.086 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.087 -6.133 -7.669 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.444 -7.076 -8.331 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.435 -5.303 -8.483 1.00 0.00 H new ATOM 1356 N CYS A 87 6.439 -2.571 -7.042 1.00 0.00 N ATOM 1357 CA CYS A 87 6.735 -1.162 -7.272 1.00 0.00 C ATOM 1358 C CYS A 87 5.700 -0.271 -6.592 1.00 0.00 C ATOM 1359 O CYS A 87 4.607 -0.058 -7.118 1.00 0.00 O ATOM 1360 CB CYS A 87 6.775 -0.865 -8.771 1.00 0.00 C ATOM 1361 SG CYS A 87 8.325 -1.334 -9.576 1.00 0.00 S ATOM 0 HA CYS A 87 7.713 -0.947 -6.841 1.00 0.00 H new ATOM 0 HB2 CYS A 87 5.953 -1.390 -9.257 1.00 0.00 H new ATOM 0 HB3 CYS A 87 6.607 0.201 -8.924 1.00 0.00 H new ATOM 0 HG CYS A 87 8.261 -1.046 -10.842 1.00 0.00 H new ATOM 1367 N LEU A 88 6.051 0.245 -5.419 1.00 0.00 N ATOM 1368 CA LEU A 88 5.152 1.113 -4.666 1.00 0.00 C ATOM 1369 C LEU A 88 5.414 2.580 -4.988 1.00 0.00 C ATOM 1370 O LEU A 88 6.514 3.087 -4.768 1.00 0.00 O ATOM 1371 CB LEU A 88 5.317 0.870 -3.165 1.00 0.00 C ATOM 1372 CG LEU A 88 4.538 -0.311 -2.586 1.00 0.00 C ATOM 1373 CD1 LEU A 88 5.258 -1.619 -2.876 1.00 0.00 C ATOM 1374 CD2 LEU A 88 4.335 -0.133 -1.088 1.00 0.00 C ATOM 0 H LEU A 88 6.951 0.078 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 88 4.129 0.875 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.376 0.718 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.014 1.773 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 88 3.559 -0.345 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.689 -2.448 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.351 -1.752 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.250 -1.596 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.779 -0.983 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.305 -0.073 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.776 0.784 -0.903 1.00 0.00 H new ATOM 1386 N SER A 89 4.396 3.258 -5.507 1.00 0.00 N ATOM 1387 CA SER A 89 4.516 4.668 -5.861 1.00 0.00 C ATOM 1388 C SER A 89 3.557 5.519 -5.035 1.00 0.00 C ATOM 1389 O SER A 89 2.345 5.303 -5.051 1.00 0.00 O ATOM 1390 CB SER A 89 4.238 4.867 -7.352 1.00 0.00 C ATOM 1391 OG SER A 89 4.357 6.232 -7.715 1.00 0.00 O ATOM 0 H SER A 89 3.478 2.854 -5.692 1.00 0.00 H new ATOM 0 HA SER A 89 5.536 4.986 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.936 4.269 -7.938 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.236 4.510 -7.589 1.00 0.00 H new ATOM 0 HG SER A 89 4.176 6.333 -8.673 1.00 0.00 H new ATOM 1397 N VAL A 90 4.109 6.488 -4.311 1.00 0.00 N ATOM 1398 CA VAL A 90 3.305 7.374 -3.479 1.00 0.00 C ATOM 1399 C VAL A 90 3.134 8.740 -4.134 1.00 0.00 C ATOM 1400 O VAL A 90 4.111 9.384 -4.514 1.00 0.00 O ATOM 1401 CB VAL A 90 3.934 7.560 -2.085 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.024 8.391 -1.194 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.229 6.210 -1.450 1.00 0.00 C ATOM 0 H VAL A 90 5.111 6.679 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 90 2.328 6.903 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 90 4.876 8.096 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.485 8.511 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.869 9.371 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.064 7.887 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.673 6.360 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.302 5.646 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.924 5.655 -2.081 1.00 0.00 H new ATOM 1413 N VAL A 91 1.885 9.177 -4.263 1.00 0.00 N ATOM 1414 CA VAL A 91 1.586 10.467 -4.871 1.00 0.00 C ATOM 1415 C VAL A 91 0.735 11.328 -3.943 1.00 0.00 C ATOM 1416 O VAL A 91 -0.361 10.933 -3.544 1.00 0.00 O ATOM 1417 CB VAL A 91 0.851 10.298 -6.214 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.517 11.655 -6.815 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.687 9.470 -7.178 1.00 0.00 C ATOM 0 H VAL A 91 1.064 8.656 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 91 2.541 10.962 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.084 9.768 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.002 11.515 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.124 12.209 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.437 12.215 -6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.153 9.361 -8.122 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.639 9.970 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.869 8.485 -6.748 1.00 0.00 H new ATOM 1429 N LYS A 92 1.246 12.506 -3.604 1.00 0.00 N ATOM 1430 CA LYS A 92 0.533 13.425 -2.724 1.00 0.00 C ATOM 1431 C LYS A 92 -0.306 14.410 -3.532 1.00 0.00 C ATOM 1432 O LYS A 92 0.228 15.321 -4.165 1.00 0.00 O ATOM 1433 CB LYS A 92 1.523 14.187 -1.839 1.00 0.00 C ATOM 1434 CG LYS A 92 0.857 14.990 -0.735 1.00 0.00 C ATOM 1435 CD LYS A 92 1.883 15.677 0.150 1.00 0.00 C ATOM 1436 CE LYS A 92 1.224 16.655 1.111 1.00 0.00 C ATOM 1437 NZ LYS A 92 1.065 18.006 0.506 1.00 0.00 N ATOM 0 H LYS A 92 2.152 12.848 -3.925 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.134 12.840 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.219 13.477 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.111 14.860 -2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.196 15.737 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.235 14.331 -0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.438 14.928 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.605 16.207 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.247 16.272 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.823 16.732 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.612 18.643 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.999 18.383 0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.472 17.937 -0.346 1.00 0.00 H new