USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 415 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 17 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 20 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ 169:sc=-0.00455 (180deg=-0.128) USER MOD Single : A 11 TYR OH : rot 112:sc= 0.00655 USER MOD Single : A 13 THR OG1 : rot 150:sc= 1.22 USER MOD Single : A 15 GLN : amide:sc= -0.514 K(o=-0.51,f=-5.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 24:sc= 0.289 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N GLU A 9 4.309 7.704 3.161 1.00 0.00 N ATOM 82 CA GLU A 9 5.296 6.795 2.592 1.00 0.00 C ATOM 83 C GLU A 9 4.712 6.033 1.406 1.00 0.00 C ATOM 84 O GLU A 9 3.570 5.575 1.449 1.00 0.00 O ATOM 85 CB GLU A 9 5.788 5.809 3.654 1.00 0.00 C ATOM 86 CG GLU A 9 6.593 6.463 4.765 1.00 0.00 C ATOM 87 CD GLU A 9 8.070 6.555 4.438 1.00 0.00 C ATOM 88 OE1 GLU A 9 8.699 5.496 4.232 1.00 0.00 O ATOM 89 OE2 GLU A 9 8.599 7.685 4.390 1.00 0.00 O ATOM 0 HA GLU A 9 6.140 7.389 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.929 5.300 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.401 5.046 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.203 7.464 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.463 5.894 5.686 1.00 0.00 H new ATOM 96 N LYS A 10 5.505 5.900 0.347 1.00 0.00 N ATOM 97 CA LYS A 10 5.069 5.192 -0.850 1.00 0.00 C ATOM 98 C LYS A 10 5.762 3.837 -0.965 1.00 0.00 C ATOM 99 O LYS A 10 6.983 3.763 -1.100 1.00 0.00 O ATOM 100 CB LYS A 10 5.359 6.031 -2.097 1.00 0.00 C ATOM 101 CG LYS A 10 4.279 7.054 -2.407 1.00 0.00 C ATOM 102 CD LYS A 10 4.198 7.346 -3.895 1.00 0.00 C ATOM 103 CE LYS A 10 3.149 8.405 -4.199 1.00 0.00 C ATOM 104 NZ LYS A 10 3.536 9.738 -3.662 1.00 0.00 N ATOM 0 H LYS A 10 6.453 6.274 0.294 1.00 0.00 H new ATOM 0 HA LYS A 10 3.995 5.025 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.310 6.548 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.474 5.366 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.316 6.685 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.485 7.977 -1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.171 7.682 -4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.958 6.430 -4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.006 8.475 -5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.194 8.104 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.898 10.465 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.467 9.728 -2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.514 9.954 -3.942 1.00 0.00 H new ATOM 118 N TYR A 11 4.973 2.770 -0.911 1.00 0.00 N ATOM 119 CA TYR A 11 5.511 1.418 -1.007 1.00 0.00 C ATOM 120 C TYR A 11 5.172 0.792 -2.356 1.00 0.00 C ATOM 121 O TYR A 11 4.472 1.390 -3.173 1.00 0.00 O ATOM 122 CB TYR A 11 4.962 0.545 0.125 1.00 0.00 C ATOM 123 CG TYR A 11 5.785 0.608 1.391 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.985 1.812 2.055 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.366 -0.537 1.922 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.737 1.874 3.212 1.00 0.00 C ATOM 127 CE2 TYR A 11 7.118 -0.485 3.080 1.00 0.00 C ATOM 128 CZ TYR A 11 7.301 0.723 3.721 1.00 0.00 C ATOM 129 OH TYR A 11 8.052 0.779 4.873 1.00 0.00 O ATOM 0 H TYR A 11 3.960 2.815 -0.801 1.00 0.00 H new ATOM 0 HA TYR A 11 6.596 1.479 -0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.941 0.855 0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.913 -0.489 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.545 2.715 1.659 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.227 -1.484 1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.882 2.818 3.715 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.560 -1.385 3.481 1.00 0.00 H new ATOM 0 HH TYR A 11 7.583 0.306 5.592 1.00 0.00 H new ATOM 139 N VAL A 12 5.675 -0.418 -2.583 1.00 0.00 N ATOM 140 CA VAL A 12 5.426 -1.128 -3.832 1.00 0.00 C ATOM 141 C VAL A 12 5.000 -2.567 -3.570 1.00 0.00 C ATOM 142 O VAL A 12 5.525 -3.230 -2.675 1.00 0.00 O ATOM 143 CB VAL A 12 6.673 -1.130 -4.735 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.544 -2.186 -5.822 1.00 0.00 C ATOM 145 CG2 VAL A 12 6.892 0.248 -5.343 1.00 0.00 C ATOM 0 H VAL A 12 6.257 -0.927 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 12 4.619 -0.600 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 12 7.542 -1.376 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.435 -2.172 -6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.438 -3.169 -5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.666 -1.974 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.777 0.229 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.023 0.525 -5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.033 0.979 -4.547 1.00 0.00 H new ATOM 155 N THR A 13 4.043 -3.049 -4.358 1.00 0.00 N ATOM 156 CA THR A 13 3.545 -4.411 -4.212 1.00 0.00 C ATOM 157 C THR A 13 4.355 -5.386 -5.059 1.00 0.00 C ATOM 158 O THR A 13 4.649 -5.117 -6.224 1.00 0.00 O ATOM 159 CB THR A 13 2.061 -4.512 -4.611 1.00 0.00 C ATOM 160 OG1 THR A 13 1.927 -4.403 -6.032 1.00 0.00 O ATOM 161 CG2 THR A 13 1.244 -3.421 -3.935 1.00 0.00 C ATOM 0 H THR A 13 3.597 -2.515 -5.104 1.00 0.00 H new ATOM 0 HA THR A 13 3.649 -4.675 -3.160 1.00 0.00 H new ATOM 0 HB THR A 13 1.685 -5.482 -4.284 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.148 -4.919 -6.328 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.199 -3.512 -4.232 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.324 -3.524 -2.853 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.622 -2.444 -4.236 1.00 0.00 H new ATOM 169 N VAL A 14 4.711 -6.521 -4.467 1.00 0.00 N ATOM 170 CA VAL A 14 5.486 -7.539 -5.168 1.00 0.00 C ATOM 171 C VAL A 14 4.600 -8.701 -5.603 1.00 0.00 C ATOM 172 O VAL A 14 4.987 -9.505 -6.450 1.00 0.00 O ATOM 173 CB VAL A 14 6.629 -8.080 -4.288 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.744 -7.052 -4.170 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.104 -8.470 -2.916 1.00 0.00 C ATOM 0 H VAL A 14 4.475 -6.759 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 14 5.912 -7.061 -6.050 1.00 0.00 H new ATOM 0 HB VAL A 14 7.039 -8.972 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.543 -7.452 -3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.137 -6.827 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.352 -6.140 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.924 -8.850 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.667 -7.597 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.344 -9.243 -3.024 1.00 0.00 H new ATOM 185 N GLN A 15 3.410 -8.781 -5.019 1.00 0.00 N ATOM 186 CA GLN A 15 2.469 -9.846 -5.345 1.00 0.00 C ATOM 187 C GLN A 15 1.034 -9.329 -5.326 1.00 0.00 C ATOM 188 O GLN A 15 0.676 -8.448 -4.544 1.00 0.00 O ATOM 189 CB GLN A 15 2.618 -11.008 -4.362 1.00 0.00 C ATOM 190 CG GLN A 15 3.970 -11.699 -4.438 1.00 0.00 C ATOM 191 CD GLN A 15 4.057 -12.685 -5.588 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.072 -12.932 -6.284 1.00 0.00 O ATOM 193 NE2 GLN A 15 5.240 -13.251 -5.793 1.00 0.00 N ATOM 0 H GLN A 15 3.074 -8.121 -4.317 1.00 0.00 H new ATOM 0 HA GLN A 15 2.695 -10.200 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.465 -10.638 -3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.834 -11.740 -4.556 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.752 -10.948 -4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.160 -12.222 -3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.029 -13.016 -5.191 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.360 -13.921 -6.553 1.00 0.00 H new ATOM 202 N PRO A 16 0.191 -9.888 -6.207 1.00 0.00 N ATOM 203 CA PRO A 16 -1.219 -9.500 -6.311 1.00 0.00 C ATOM 204 C PRO A 16 -2.033 -9.943 -5.100 1.00 0.00 C ATOM 205 O PRO A 16 -1.714 -10.944 -4.458 1.00 0.00 O ATOM 206 CB PRO A 16 -1.695 -10.226 -7.571 1.00 0.00 C ATOM 207 CG PRO A 16 -0.783 -11.396 -7.702 1.00 0.00 C ATOM 208 CD PRO A 16 0.549 -10.945 -7.169 1.00 0.00 C ATOM 0 HA PRO A 16 -1.342 -8.418 -6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.734 -10.543 -7.477 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.637 -9.579 -8.446 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.160 -12.250 -7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.700 -11.712 -8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.087 -11.762 -6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.192 -10.565 -7.963 1.00 0.00 H new ATOM 216 N TYR A 17 -3.086 -9.193 -4.794 1.00 0.00 N ATOM 217 CA TYR A 17 -3.945 -9.509 -3.658 1.00 0.00 C ATOM 218 C TYR A 17 -5.417 -9.405 -4.045 1.00 0.00 C ATOM 219 O TYR A 17 -5.812 -8.523 -4.809 1.00 0.00 O ATOM 220 CB TYR A 17 -3.645 -8.570 -2.489 1.00 0.00 C ATOM 221 CG TYR A 17 -4.447 -8.878 -1.244 1.00 0.00 C ATOM 222 CD1 TYR A 17 -4.086 -9.922 -0.402 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.566 -8.124 -0.911 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.816 -10.206 0.735 1.00 0.00 C ATOM 225 CE2 TYR A 17 -6.301 -8.401 0.224 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.923 -9.443 1.044 1.00 0.00 C ATOM 227 OH TYR A 17 -6.652 -9.723 2.178 1.00 0.00 O ATOM 0 H TYR A 17 -3.365 -8.362 -5.316 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.740 -10.535 -3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.583 -8.628 -2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.847 -7.544 -2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.220 -10.522 -0.641 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.866 -7.307 -1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.522 -11.021 1.379 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.168 -7.805 0.468 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.399 -9.092 2.251 1.00 0.00 H new ATOM 237 N THR A 18 -6.228 -10.313 -3.510 1.00 0.00 N ATOM 238 CA THR A 18 -7.656 -10.326 -3.796 1.00 0.00 C ATOM 239 C THR A 18 -8.466 -9.910 -2.574 1.00 0.00 C ATOM 240 O THR A 18 -8.445 -10.585 -1.545 1.00 0.00 O ATOM 241 CB THR A 18 -8.124 -11.719 -4.259 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.328 -12.161 -5.365 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.591 -11.692 -4.662 1.00 0.00 C ATOM 0 H THR A 18 -5.919 -11.049 -2.876 1.00 0.00 H new ATOM 0 HA THR A 18 -7.823 -9.609 -4.600 1.00 0.00 H new ATOM 0 HB THR A 18 -8.006 -12.412 -3.426 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.631 -13.048 -5.652 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.898 -12.687 -4.985 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.197 -11.384 -3.810 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.731 -10.986 -5.480 1.00 0.00 H new ATOM 251 N SER A 19 -9.182 -8.797 -2.695 1.00 0.00 N ATOM 252 CA SER A 19 -9.998 -8.290 -1.597 1.00 0.00 C ATOM 253 C SER A 19 -11.287 -9.094 -1.462 1.00 0.00 C ATOM 254 O SER A 19 -12.060 -9.212 -2.412 1.00 0.00 O ATOM 255 CB SER A 19 -10.327 -6.813 -1.819 1.00 0.00 C ATOM 256 OG SER A 19 -11.119 -6.635 -2.980 1.00 0.00 O ATOM 0 H SER A 19 -9.214 -8.229 -3.542 1.00 0.00 H new ATOM 0 HA SER A 19 -9.427 -8.394 -0.674 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.856 -6.421 -0.951 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.403 -6.242 -1.914 1.00 0.00 H new ATOM 0 HG SER A 19 -11.601 -7.465 -3.178 1.00 0.00 H new ATOM 262 N GLN A 20 -11.510 -9.646 -0.274 1.00 0.00 N ATOM 263 CA GLN A 20 -12.705 -10.440 -0.013 1.00 0.00 C ATOM 264 C GLN A 20 -13.890 -9.545 0.333 1.00 0.00 C ATOM 265 O GLN A 20 -14.992 -9.728 -0.186 1.00 0.00 O ATOM 266 CB GLN A 20 -12.448 -11.429 1.125 1.00 0.00 C ATOM 267 CG GLN A 20 -11.697 -12.677 0.690 1.00 0.00 C ATOM 268 CD GLN A 20 -10.218 -12.423 0.477 1.00 0.00 C ATOM 269 OE1 GLN A 20 -9.605 -11.625 1.186 1.00 0.00 O ATOM 270 NE2 GLN A 20 -9.635 -13.103 -0.504 1.00 0.00 N ATOM 0 H GLN A 20 -10.879 -9.558 0.523 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.946 -10.995 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.880 -10.928 1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.402 -11.723 1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.823 -13.454 1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.134 -13.056 -0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.181 -13.755 -1.067 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.641 -12.973 -0.694 1.00 0.00 H new ATOM 279 N SER A 21 -13.656 -8.576 1.213 1.00 0.00 N ATOM 280 CA SER A 21 -14.705 -7.654 1.631 1.00 0.00 C ATOM 281 C SER A 21 -14.282 -6.207 1.394 1.00 0.00 C ATOM 282 O SER A 21 -13.093 -5.891 1.369 1.00 0.00 O ATOM 283 CB SER A 21 -15.039 -7.864 3.110 1.00 0.00 C ATOM 284 OG SER A 21 -15.999 -8.893 3.274 1.00 0.00 O ATOM 0 H SER A 21 -12.749 -8.410 1.650 1.00 0.00 H new ATOM 0 HA SER A 21 -15.593 -7.858 1.033 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.132 -8.118 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.420 -6.936 3.536 1.00 0.00 H new ATOM 0 HG SER A 21 -16.194 -9.009 4.227 1.00 0.00 H new ATOM 290 N LYS A 22 -15.266 -5.331 1.221 1.00 0.00 N ATOM 291 CA LYS A 22 -15.001 -3.917 0.987 1.00 0.00 C ATOM 292 C LYS A 22 -13.941 -3.396 1.952 1.00 0.00 C ATOM 293 O LYS A 22 -13.091 -2.586 1.579 1.00 0.00 O ATOM 294 CB LYS A 22 -16.287 -3.103 1.138 1.00 0.00 C ATOM 295 CG LYS A 22 -16.098 -1.615 0.897 1.00 0.00 C ATOM 296 CD LYS A 22 -17.277 -0.811 1.418 1.00 0.00 C ATOM 297 CE LYS A 22 -17.159 -0.553 2.912 1.00 0.00 C ATOM 298 NZ LYS A 22 -18.269 0.300 3.418 1.00 0.00 N ATOM 0 H LYS A 22 -16.256 -5.576 1.239 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.627 -3.807 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.032 -3.484 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.686 -3.252 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.183 -1.280 1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.975 -1.431 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.334 0.139 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.204 -1.347 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.160 -1.503 3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.205 -0.070 3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.152 0.452 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.254 1.217 2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.178 -0.172 3.240 1.00 0.00 H new ATOM 312 N ASP A 23 -13.994 -3.867 3.193 1.00 0.00 N ATOM 313 CA ASP A 23 -13.037 -3.450 4.211 1.00 0.00 C ATOM 314 C ASP A 23 -11.610 -3.525 3.678 1.00 0.00 C ATOM 315 O ASP A 23 -10.792 -2.644 3.941 1.00 0.00 O ATOM 316 CB ASP A 23 -13.175 -4.324 5.459 1.00 0.00 C ATOM 317 CG ASP A 23 -14.620 -4.515 5.875 1.00 0.00 C ATOM 318 OD1 ASP A 23 -15.304 -3.502 6.128 1.00 0.00 O ATOM 319 OD2 ASP A 23 -15.067 -5.679 5.948 1.00 0.00 O ATOM 0 H ASP A 23 -14.690 -4.538 3.518 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.253 -2.415 4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.723 -5.297 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.621 -3.870 6.280 1.00 0.00 H new ATOM 324 N GLU A 24 -11.318 -4.582 2.929 1.00 0.00 N ATOM 325 CA GLU A 24 -9.988 -4.773 2.360 1.00 0.00 C ATOM 326 C GLU A 24 -9.951 -4.326 0.901 1.00 0.00 C ATOM 327 O GLU A 24 -10.988 -4.233 0.243 1.00 0.00 O ATOM 328 CB GLU A 24 -9.569 -6.240 2.465 1.00 0.00 C ATOM 329 CG GLU A 24 -9.457 -6.740 3.896 1.00 0.00 C ATOM 330 CD GLU A 24 -10.766 -7.292 4.426 1.00 0.00 C ATOM 331 OE1 GLU A 24 -11.504 -7.924 3.643 1.00 0.00 O ATOM 332 OE2 GLU A 24 -11.051 -7.090 5.625 1.00 0.00 O ATOM 0 H GLU A 24 -11.984 -5.320 2.701 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.287 -4.161 2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.292 -6.855 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.608 -6.371 1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.693 -7.516 3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.125 -5.923 4.537 1.00 0.00 H new ATOM 339 N ILE A 25 -8.751 -4.048 0.404 1.00 0.00 N ATOM 340 CA ILE A 25 -8.578 -3.611 -0.976 1.00 0.00 C ATOM 341 C ILE A 25 -7.665 -4.561 -1.743 1.00 0.00 C ATOM 342 O ILE A 25 -6.689 -5.076 -1.200 1.00 0.00 O ATOM 343 CB ILE A 25 -7.995 -2.187 -1.046 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.346 -1.536 -2.385 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.488 -2.222 -0.846 1.00 0.00 C ATOM 346 CD1 ILE A 25 -8.064 -0.050 -2.427 1.00 0.00 C ATOM 0 H ILE A 25 -7.884 -4.118 0.936 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.567 -3.613 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.433 -1.590 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.782 -2.027 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.402 -1.703 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.090 -1.208 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.260 -2.651 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.032 -2.831 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.337 0.345 -3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.649 0.453 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.003 0.124 -2.248 1.00 0.00 H new ATOM 358 N GLY A 26 -7.989 -4.789 -3.013 1.00 0.00 N ATOM 359 CA GLY A 26 -7.187 -5.674 -3.835 1.00 0.00 C ATOM 360 C GLY A 26 -6.399 -4.930 -4.895 1.00 0.00 C ATOM 361 O GLY A 26 -6.961 -4.139 -5.654 1.00 0.00 O ATOM 0 H GLY A 26 -8.793 -4.376 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.498 -6.230 -3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.837 -6.405 -4.317 1.00 0.00 H new ATOM 365 N PHE A 27 -5.095 -5.178 -4.944 1.00 0.00 N ATOM 366 CA PHE A 27 -4.228 -4.522 -5.916 1.00 0.00 C ATOM 367 C PHE A 27 -3.463 -5.549 -6.744 1.00 0.00 C ATOM 368 O PHE A 27 -3.516 -6.747 -6.467 1.00 0.00 O ATOM 369 CB PHE A 27 -3.246 -3.588 -5.207 1.00 0.00 C ATOM 370 CG PHE A 27 -2.668 -4.170 -3.949 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.723 -5.181 -4.008 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.070 -3.706 -2.706 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.188 -5.719 -2.852 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.538 -4.240 -1.547 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.598 -5.248 -1.621 1.00 0.00 C ATOM 0 H PHE A 27 -4.615 -5.829 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.856 -3.936 -6.587 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.434 -3.341 -5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.754 -2.654 -4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.400 -5.554 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.807 -2.919 -2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.451 -6.506 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.858 -3.869 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.184 -5.668 -0.716 1.00 0.00 H new ATOM 385 N GLU A 28 -2.753 -5.072 -7.761 1.00 0.00 N ATOM 386 CA GLU A 28 -1.977 -5.950 -8.630 1.00 0.00 C ATOM 387 C GLU A 28 -0.489 -5.858 -8.307 1.00 0.00 C ATOM 388 O GLU A 28 -0.053 -4.968 -7.577 1.00 0.00 O ATOM 389 CB GLU A 28 -2.216 -5.591 -10.098 1.00 0.00 C ATOM 390 CG GLU A 28 -3.680 -5.622 -10.502 1.00 0.00 C ATOM 391 CD GLU A 28 -3.872 -5.933 -11.974 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.512 -5.082 -12.813 1.00 0.00 O ATOM 393 OE2 GLU A 28 -4.383 -7.029 -12.286 1.00 0.00 O ATOM 0 H GLU A 28 -2.699 -4.083 -8.004 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.305 -6.975 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.816 -4.595 -10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.659 -6.285 -10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.202 -6.370 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.136 -4.658 -10.275 1.00 0.00 H new ATOM 400 N LYS A 29 0.287 -6.786 -8.857 1.00 0.00 N ATOM 401 CA LYS A 29 1.727 -6.811 -8.630 1.00 0.00 C ATOM 402 C LYS A 29 2.450 -5.897 -9.615 1.00 0.00 C ATOM 403 O LYS A 29 2.349 -6.074 -10.828 1.00 0.00 O ATOM 404 CB LYS A 29 2.260 -8.240 -8.759 1.00 0.00 C ATOM 405 CG LYS A 29 3.721 -8.311 -9.168 1.00 0.00 C ATOM 406 CD LYS A 29 4.169 -9.745 -9.391 1.00 0.00 C ATOM 407 CE LYS A 29 5.612 -9.811 -9.868 1.00 0.00 C ATOM 408 NZ LYS A 29 6.027 -11.205 -10.189 1.00 0.00 N ATOM 0 H LYS A 29 -0.057 -7.531 -9.463 1.00 0.00 H new ATOM 0 HA LYS A 29 1.916 -6.449 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.133 -8.753 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.660 -8.778 -9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.872 -7.736 -10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.339 -7.852 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.065 -10.308 -8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.520 -10.220 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.731 -9.184 -10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.268 -9.405 -9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.016 -11.207 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.937 -11.798 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.418 -11.584 -10.942 1.00 0.00 H new ATOM 422 N GLY A 30 3.181 -4.922 -9.084 1.00 0.00 N ATOM 423 CA GLY A 30 3.910 -3.997 -9.931 1.00 0.00 C ATOM 424 C GLY A 30 3.261 -2.628 -9.989 1.00 0.00 C ATOM 425 O GLY A 30 3.331 -1.941 -11.009 1.00 0.00 O ATOM 0 H GLY A 30 3.281 -4.756 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.930 -3.897 -9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.976 -4.407 -10.939 1.00 0.00 H new ATOM 429 N VAL A 31 2.625 -2.229 -8.891 1.00 0.00 N ATOM 430 CA VAL A 31 1.960 -0.934 -8.821 1.00 0.00 C ATOM 431 C VAL A 31 2.451 -0.128 -7.623 1.00 0.00 C ATOM 432 O VAL A 31 3.276 -0.599 -6.840 1.00 0.00 O ATOM 433 CB VAL A 31 0.431 -1.093 -8.726 1.00 0.00 C ATOM 434 CG1 VAL A 31 -0.130 -1.651 -10.025 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.060 -1.984 -7.550 1.00 0.00 C ATOM 0 H VAL A 31 2.557 -2.785 -8.038 1.00 0.00 H new ATOM 0 HA VAL A 31 2.207 -0.402 -9.740 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.009 -0.110 -8.561 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.211 -1.756 -9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.104 -0.971 -10.844 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.315 -2.626 -10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.024 -2.085 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.510 -2.968 -7.682 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.427 -1.538 -6.626 1.00 0.00 H new ATOM 445 N THR A 32 1.940 1.091 -7.487 1.00 0.00 N ATOM 446 CA THR A 32 2.327 1.964 -6.386 1.00 0.00 C ATOM 447 C THR A 32 1.170 2.169 -5.415 1.00 0.00 C ATOM 448 O THR A 32 0.013 2.270 -5.824 1.00 0.00 O ATOM 449 CB THR A 32 2.803 3.336 -6.897 1.00 0.00 C ATOM 450 OG1 THR A 32 3.997 3.183 -7.672 1.00 0.00 O ATOM 451 CG2 THR A 32 3.063 4.286 -5.737 1.00 0.00 C ATOM 0 H THR A 32 1.256 1.497 -8.126 1.00 0.00 H new ATOM 0 HA THR A 32 3.150 1.473 -5.868 1.00 0.00 H new ATOM 0 HB THR A 32 2.016 3.759 -7.522 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.292 4.060 -7.995 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.398 5.249 -6.123 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.144 4.424 -5.167 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.833 3.867 -5.089 1.00 0.00 H new ATOM 459 N VAL A 33 1.489 2.232 -4.126 1.00 0.00 N ATOM 460 CA VAL A 33 0.475 2.429 -3.096 1.00 0.00 C ATOM 461 C VAL A 33 0.969 3.383 -2.014 1.00 0.00 C ATOM 462 O VAL A 33 2.163 3.444 -1.726 1.00 0.00 O ATOM 463 CB VAL A 33 0.073 1.092 -2.443 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.612 0.188 -3.455 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.290 0.407 -1.841 1.00 0.00 C ATOM 0 H VAL A 33 2.441 2.150 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.396 2.862 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.634 1.298 -1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.888 -0.751 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.508 0.679 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.069 -0.014 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.988 -0.535 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.023 0.212 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.733 1.053 -1.082 1.00 0.00 H new ATOM 475 N GLU A 34 0.040 4.125 -1.418 1.00 0.00 N ATOM 476 CA GLU A 34 0.382 5.076 -0.368 1.00 0.00 C ATOM 477 C GLU A 34 0.019 4.522 1.006 1.00 0.00 C ATOM 478 O GLU A 34 -1.149 4.265 1.296 1.00 0.00 O ATOM 479 CB GLU A 34 -0.338 6.406 -0.600 1.00 0.00 C ATOM 480 CG GLU A 34 0.411 7.350 -1.525 1.00 0.00 C ATOM 481 CD GLU A 34 -0.359 8.627 -1.805 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.607 8.583 -1.779 1.00 0.00 O ATOM 483 OE2 GLU A 34 0.285 9.668 -2.048 1.00 0.00 O ATOM 0 H GLU A 34 -0.954 4.085 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 34 1.459 5.243 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.325 6.207 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.493 6.898 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.374 7.601 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.618 6.841 -2.467 1.00 0.00 H new ATOM 490 N VAL A 35 1.030 4.340 1.851 1.00 0.00 N ATOM 491 CA VAL A 35 0.820 3.818 3.195 1.00 0.00 C ATOM 492 C VAL A 35 0.329 4.910 4.139 1.00 0.00 C ATOM 493 O VAL A 35 1.075 5.828 4.482 1.00 0.00 O ATOM 494 CB VAL A 35 2.110 3.201 3.767 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.876 2.684 5.178 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.615 2.089 2.860 1.00 0.00 C ATOM 0 H VAL A 35 2.003 4.547 1.627 1.00 0.00 H new ATOM 0 HA VAL A 35 0.059 3.041 3.116 1.00 0.00 H new ATOM 0 HB VAL A 35 2.874 3.977 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.799 2.252 5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.564 3.508 5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.097 1.921 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.527 1.664 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.855 1.311 2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.825 2.494 1.870 1.00 0.00 H new ATOM 506 N ILE A 36 -0.927 4.803 4.556 1.00 0.00 N ATOM 507 CA ILE A 36 -1.517 5.782 5.462 1.00 0.00 C ATOM 508 C ILE A 36 -1.200 5.445 6.915 1.00 0.00 C ATOM 509 O ILE A 36 -0.517 6.204 7.604 1.00 0.00 O ATOM 510 CB ILE A 36 -3.045 5.863 5.287 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.401 6.060 3.812 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.615 6.993 6.130 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.874 5.884 3.517 1.00 0.00 C ATOM 0 H ILE A 36 -1.557 4.049 4.282 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.080 6.748 5.211 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.485 4.925 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.094 7.059 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.831 5.351 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.696 7.038 5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.387 6.814 7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.171 7.939 5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.053 6.038 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.183 4.876 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.449 6.611 4.091 1.00 0.00 H new ATOM 525 N ARG A 37 -1.700 4.303 7.375 1.00 0.00 N ATOM 526 CA ARG A 37 -1.470 3.866 8.747 1.00 0.00 C ATOM 527 C ARG A 37 -0.911 2.447 8.778 1.00 0.00 C ATOM 528 O ARG A 37 -1.625 1.480 8.507 1.00 0.00 O ATOM 529 CB ARG A 37 -2.770 3.932 9.550 1.00 0.00 C ATOM 530 CG ARG A 37 -3.231 5.350 9.846 1.00 0.00 C ATOM 531 CD ARG A 37 -4.335 5.370 10.893 1.00 0.00 C ATOM 532 NE ARG A 37 -3.800 5.439 12.250 1.00 0.00 N ATOM 533 CZ ARG A 37 -3.133 6.485 12.724 1.00 0.00 C ATOM 534 NH1 ARG A 37 -2.919 7.544 11.956 1.00 0.00 N ATOM 535 NH2 ARG A 37 -2.678 6.473 13.972 1.00 0.00 N ATOM 0 H ARG A 37 -2.267 3.664 6.818 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.738 4.536 9.198 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.554 3.411 9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.633 3.399 10.491 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.386 5.943 10.195 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.590 5.816 8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.987 6.225 10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.949 4.475 10.790 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.947 4.640 12.867 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.267 7.557 10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.406 8.345 12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.841 5.660 14.566 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.166 7.276 14.336 1.00 0.00 H new ATOM 626 N TRP A 43 -1.229 -5.079 9.963 1.00 0.00 N ATOM 627 CA TRP A 43 -2.156 -4.454 9.027 1.00 0.00 C ATOM 628 C TRP A 43 -1.662 -3.073 8.611 1.00 0.00 C ATOM 629 O TRP A 43 -1.547 -2.170 9.439 1.00 0.00 O ATOM 630 CB TRP A 43 -3.548 -4.344 9.653 1.00 0.00 C ATOM 631 CG TRP A 43 -4.412 -5.541 9.394 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.945 -6.384 10.325 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.841 -6.028 8.117 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.679 -7.367 9.706 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.632 -7.169 8.351 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.636 -5.610 6.800 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.214 -7.896 7.317 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.214 -6.331 5.773 1.00 0.00 C ATOM 639 CH2 TRP A 43 -5.998 -7.464 6.037 1.00 0.00 C ATOM 0 HA TRP A 43 -2.213 -5.082 8.138 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.445 -4.205 10.729 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.045 -3.455 9.263 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.810 -6.292 11.393 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.178 -8.121 10.178 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.036 -4.738 6.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.815 -8.771 7.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.060 -6.018 4.751 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.440 -8.006 5.214 1.00 0.00 H new ATOM 650 N TRP A 44 -1.372 -2.916 7.324 1.00 0.00 N ATOM 651 CA TRP A 44 -0.890 -1.643 6.799 1.00 0.00 C ATOM 652 C TRP A 44 -1.923 -1.011 5.873 1.00 0.00 C ATOM 653 O TRP A 44 -2.087 -1.435 4.729 1.00 0.00 O ATOM 654 CB TRP A 44 0.429 -1.844 6.052 1.00 0.00 C ATOM 655 CG TRP A 44 1.604 -2.043 6.961 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.599 -2.650 8.184 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.953 -1.630 6.721 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.865 -2.641 8.718 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.714 -2.021 7.839 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.593 -0.970 5.668 1.00 0.00 C ATOM 661 CZ2 TRP A 44 5.081 -1.772 7.934 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.950 -0.723 5.763 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.681 -1.124 6.889 1.00 0.00 C ATOM 0 H TRP A 44 -1.462 -3.654 6.625 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.724 -0.970 7.640 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.337 -2.708 5.394 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.614 -0.978 5.416 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.728 -3.075 8.661 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.130 -3.032 9.622 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.037 -0.659 4.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.647 -2.079 8.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.455 -0.213 4.956 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.740 -0.917 6.933 1.00 0.00 H new ATOM 674 N TYR A 45 -2.617 0.005 6.374 1.00 0.00 N ATOM 675 CA TYR A 45 -3.635 0.695 5.592 1.00 0.00 C ATOM 676 C TYR A 45 -3.004 1.481 4.447 1.00 0.00 C ATOM 677 O TYR A 45 -2.213 2.397 4.672 1.00 0.00 O ATOM 678 CB TYR A 45 -4.446 1.635 6.486 1.00 0.00 C ATOM 679 CG TYR A 45 -5.872 1.828 6.026 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.730 0.744 5.883 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.364 3.095 5.735 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.034 0.916 5.462 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.668 3.277 5.315 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.500 2.184 5.180 1.00 0.00 C ATOM 685 OH TYR A 45 -9.797 2.360 4.762 1.00 0.00 O ATOM 0 H TYR A 45 -2.493 0.369 7.319 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.301 -0.056 5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.451 1.241 7.502 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.951 2.605 6.523 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.371 -0.250 6.105 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.716 3.952 5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.686 0.062 5.354 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.034 4.269 5.094 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.964 3.313 4.607 1.00 0.00 H new ATOM 695 N ILE A 46 -3.360 1.116 3.220 1.00 0.00 N ATOM 696 CA ILE A 46 -2.830 1.788 2.041 1.00 0.00 C ATOM 697 C ILE A 46 -3.953 2.360 1.183 1.00 0.00 C ATOM 698 O ILE A 46 -5.129 2.088 1.420 1.00 0.00 O ATOM 699 CB ILE A 46 -1.980 0.832 1.183 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.849 -0.299 0.628 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.827 0.269 2.000 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.219 -1.028 -0.538 1.00 0.00 C ATOM 0 H ILE A 46 -4.013 0.359 3.017 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.199 2.601 2.398 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.566 1.392 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.054 -1.014 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.809 0.112 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.236 -0.405 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.197 1.086 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.221 -0.279 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.890 -1.816 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.039 -0.326 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.273 -1.468 -0.223 1.00 0.00 H new ATOM 714 N ARG A 47 -3.581 3.153 0.183 1.00 0.00 N ATOM 715 CA ARG A 47 -4.558 3.763 -0.711 1.00 0.00 C ATOM 716 C ARG A 47 -4.208 3.486 -2.170 1.00 0.00 C ATOM 717 O ARG A 47 -3.165 3.920 -2.662 1.00 0.00 O ATOM 718 CB ARG A 47 -4.627 5.273 -0.471 1.00 0.00 C ATOM 719 CG ARG A 47 -5.855 5.931 -1.080 1.00 0.00 C ATOM 720 CD ARG A 47 -5.692 7.440 -1.170 1.00 0.00 C ATOM 721 NE ARG A 47 -5.430 8.040 0.136 1.00 0.00 N ATOM 722 CZ ARG A 47 -5.590 9.333 0.395 1.00 0.00 C ATOM 723 NH1 ARG A 47 -6.009 10.157 -0.555 1.00 0.00 N ATOM 724 NH2 ARG A 47 -5.332 9.805 1.608 1.00 0.00 N ATOM 0 H ARG A 47 -2.611 3.388 -0.028 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.532 3.322 -0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.618 5.463 0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.733 5.739 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.032 5.523 -2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.732 5.694 -0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.873 7.676 -1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.595 7.878 -1.596 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.107 7.433 0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.210 9.799 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.131 11.149 -0.352 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.010 9.175 2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.455 10.798 1.806 1.00 0.00 H new ATOM 738 N TYR A 48 -5.084 2.760 -2.855 1.00 0.00 N ATOM 739 CA TYR A 48 -4.866 2.422 -4.258 1.00 0.00 C ATOM 740 C TYR A 48 -6.141 2.622 -5.071 1.00 0.00 C ATOM 741 O TYR A 48 -7.246 2.368 -4.590 1.00 0.00 O ATOM 742 CB TYR A 48 -4.387 0.975 -4.385 1.00 0.00 C ATOM 743 CG TYR A 48 -4.338 0.478 -5.813 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.660 1.189 -6.794 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.971 -0.704 -6.180 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.613 0.739 -8.099 1.00 0.00 C ATOM 747 CE2 TYR A 48 -4.927 -1.163 -7.483 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.248 -0.438 -8.438 1.00 0.00 C ATOM 749 OH TYR A 48 -4.202 -0.890 -9.737 1.00 0.00 O ATOM 0 H TYR A 48 -5.951 2.394 -2.463 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.099 3.088 -4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.393 0.890 -3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.048 0.330 -3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.161 2.110 -6.532 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.506 -1.273 -5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.082 1.305 -8.850 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.422 -2.085 -7.751 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.698 -1.732 -9.808 1.00 0.00 H new ATOM 759 N LEU A 49 -5.979 3.080 -6.307 1.00 0.00 N ATOM 760 CA LEU A 49 -7.116 3.315 -7.190 1.00 0.00 C ATOM 761 C LEU A 49 -8.134 4.241 -6.534 1.00 0.00 C ATOM 762 O LEU A 49 -9.340 4.089 -6.720 1.00 0.00 O ATOM 763 CB LEU A 49 -7.782 1.988 -7.560 1.00 0.00 C ATOM 764 CG LEU A 49 -7.243 1.291 -8.811 1.00 0.00 C ATOM 765 CD1 LEU A 49 -8.052 0.040 -9.115 1.00 0.00 C ATOM 766 CD2 LEU A 49 -7.260 2.241 -10.000 1.00 0.00 C ATOM 0 H LEU A 49 -5.072 3.296 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.747 3.795 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.680 1.306 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.848 2.166 -7.699 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.211 0.995 -8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.654 -0.442 -10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.989 -0.648 -8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.094 0.312 -9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.873 1.728 -10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.282 2.568 -10.190 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.637 3.108 -9.782 1.00 0.00 H new ATOM 778 N GLY A 50 -7.638 5.207 -5.765 1.00 0.00 N ATOM 779 CA GLY A 50 -8.517 6.146 -5.095 1.00 0.00 C ATOM 780 C GLY A 50 -9.410 5.475 -4.071 1.00 0.00 C ATOM 781 O GLY A 50 -10.450 6.015 -3.693 1.00 0.00 O ATOM 0 H GLY A 50 -6.643 5.355 -5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.918 6.912 -4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.136 6.652 -5.836 1.00 0.00 H new ATOM 785 N LYS A 51 -9.007 4.292 -3.622 1.00 0.00 N ATOM 786 CA LYS A 51 -9.778 3.543 -2.635 1.00 0.00 C ATOM 787 C LYS A 51 -8.916 3.185 -1.429 1.00 0.00 C ATOM 788 O LYS A 51 -7.772 2.757 -1.577 1.00 0.00 O ATOM 789 CB LYS A 51 -10.349 2.271 -3.264 1.00 0.00 C ATOM 790 CG LYS A 51 -11.639 2.499 -4.034 1.00 0.00 C ATOM 791 CD LYS A 51 -12.849 2.469 -3.117 1.00 0.00 C ATOM 792 CE LYS A 51 -13.023 3.790 -2.382 1.00 0.00 C ATOM 793 NZ LYS A 51 -14.452 4.062 -2.063 1.00 0.00 N ATOM 0 H LYS A 51 -8.150 3.830 -3.926 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.600 4.174 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.605 1.843 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.529 1.537 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.593 3.460 -4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.745 1.733 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.744 2.255 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.739 1.661 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.442 3.772 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.626 4.601 -2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.529 4.970 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.002 4.104 -2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.824 3.301 -1.459 1.00 0.00 H new ATOM 807 N GLU A 52 -9.474 3.362 -0.235 1.00 0.00 N ATOM 808 CA GLU A 52 -8.755 3.055 0.996 1.00 0.00 C ATOM 809 C GLU A 52 -9.229 1.731 1.587 1.00 0.00 C ATOM 810 O GLU A 52 -10.428 1.500 1.739 1.00 0.00 O ATOM 811 CB GLU A 52 -8.945 4.179 2.016 1.00 0.00 C ATOM 812 CG GLU A 52 -8.642 5.562 1.462 1.00 0.00 C ATOM 813 CD GLU A 52 -9.256 6.671 2.294 1.00 0.00 C ATOM 814 OE1 GLU A 52 -10.500 6.785 2.304 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.495 7.425 2.935 1.00 0.00 O ATOM 0 H GLU A 52 -10.420 3.716 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.695 2.967 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.973 4.159 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.300 3.992 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.562 5.702 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.016 5.630 0.440 1.00 0.00 H new ATOM 822 N GLY A 53 -8.278 0.864 1.921 1.00 0.00 N ATOM 823 CA GLY A 53 -8.617 -0.427 2.492 1.00 0.00 C ATOM 824 C GLY A 53 -7.499 -0.996 3.342 1.00 0.00 C ATOM 825 O GLY A 53 -6.426 -0.402 3.447 1.00 0.00 O ATOM 0 H GLY A 53 -7.279 1.032 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.516 -0.327 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.851 -1.126 1.689 1.00 0.00 H new ATOM 829 N TRP A 54 -7.751 -2.149 3.951 1.00 0.00 N ATOM 830 CA TRP A 54 -6.756 -2.800 4.797 1.00 0.00 C ATOM 831 C TRP A 54 -5.887 -3.752 3.984 1.00 0.00 C ATOM 832 O TRP A 54 -6.385 -4.710 3.395 1.00 0.00 O ATOM 833 CB TRP A 54 -7.442 -3.559 5.934 1.00 0.00 C ATOM 834 CG TRP A 54 -7.690 -2.716 7.148 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.898 -2.432 7.716 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.704 -2.047 7.941 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.723 -1.627 8.815 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.387 -1.377 8.975 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.311 -1.951 7.881 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.722 -0.621 9.938 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.653 -1.200 8.837 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.358 -0.543 9.855 1.00 0.00 C ATOM 0 H TRP A 54 -8.635 -2.652 3.875 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.115 -2.027 5.221 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.392 -3.955 5.575 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.826 -4.414 6.214 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.851 -2.788 7.354 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.468 -1.273 9.415 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.758 -2.455 7.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.264 -0.114 10.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.577 -1.118 8.799 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.815 0.036 10.588 1.00 0.00 H new ATOM 853 N ALA A 55 -4.587 -3.481 3.956 1.00 0.00 N ATOM 854 CA ALA A 55 -3.649 -4.317 3.216 1.00 0.00 C ATOM 855 C ALA A 55 -2.600 -4.920 4.145 1.00 0.00 C ATOM 856 O ALA A 55 -2.157 -4.296 5.109 1.00 0.00 O ATOM 857 CB ALA A 55 -2.978 -3.509 2.115 1.00 0.00 C ATOM 0 H ALA A 55 -4.159 -2.690 4.437 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.209 -5.135 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.280 -4.145 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.735 -3.130 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.437 -2.672 2.556 1.00 0.00 H new ATOM 863 N PRO A 56 -2.195 -6.165 3.851 1.00 0.00 N ATOM 864 CA PRO A 56 -1.193 -6.879 4.648 1.00 0.00 C ATOM 865 C PRO A 56 0.202 -6.283 4.498 1.00 0.00 C ATOM 866 O PRO A 56 0.560 -5.777 3.434 1.00 0.00 O ATOM 867 CB PRO A 56 -1.232 -8.299 4.076 1.00 0.00 C ATOM 868 CG PRO A 56 -1.728 -8.131 2.681 1.00 0.00 C ATOM 869 CD PRO A 56 -2.680 -6.969 2.717 1.00 0.00 C ATOM 0 HA PRO A 56 -1.410 -6.827 5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.244 -8.760 4.092 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.893 -8.942 4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.904 -7.939 1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.228 -9.035 2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.659 -6.403 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.709 -7.297 2.868 1.00 0.00 H new ATOM 877 N ALA A 57 0.986 -6.346 5.569 1.00 0.00 N ATOM 878 CA ALA A 57 2.343 -5.815 5.554 1.00 0.00 C ATOM 879 C ALA A 57 3.329 -6.841 5.008 1.00 0.00 C ATOM 880 O ALA A 57 4.527 -6.777 5.289 1.00 0.00 O ATOM 881 CB ALA A 57 2.753 -5.378 6.953 1.00 0.00 C ATOM 0 H ALA A 57 0.705 -6.760 6.458 1.00 0.00 H new ATOM 0 HA ALA A 57 2.360 -4.948 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.769 -4.983 6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.072 -4.604 7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.713 -6.233 7.628 1.00 0.00 H new ATOM 887 N SER A 58 2.819 -7.788 4.228 1.00 0.00 N ATOM 888 CA SER A 58 3.654 -8.832 3.646 1.00 0.00 C ATOM 889 C SER A 58 3.738 -8.679 2.129 1.00 0.00 C ATOM 890 O SER A 58 4.720 -9.083 1.507 1.00 0.00 O ATOM 891 CB SER A 58 3.102 -10.214 4.000 1.00 0.00 C ATOM 892 OG SER A 58 3.921 -11.242 3.471 1.00 0.00 O ATOM 0 H SER A 58 1.831 -7.854 3.984 1.00 0.00 H new ATOM 0 HA SER A 58 4.657 -8.732 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.038 -10.317 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.089 -10.315 3.610 1.00 0.00 H new ATOM 0 HG SER A 58 3.547 -12.115 3.713 1.00 0.00 H new ATOM 898 N TYR A 59 2.700 -8.093 1.543 1.00 0.00 N ATOM 899 CA TYR A 59 2.653 -7.888 0.100 1.00 0.00 C ATOM 900 C TYR A 59 3.066 -6.464 -0.262 1.00 0.00 C ATOM 901 O TYR A 59 2.653 -5.927 -1.290 1.00 0.00 O ATOM 902 CB TYR A 59 1.248 -8.173 -0.431 1.00 0.00 C ATOM 903 CG TYR A 59 0.896 -9.644 -0.453 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.784 -10.369 0.727 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.676 -10.308 -1.654 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.463 -11.713 0.712 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.354 -11.651 -1.678 1.00 0.00 C ATOM 908 CZ TYR A 59 0.249 -12.350 -0.493 1.00 0.00 C ATOM 909 OH TYR A 59 -0.071 -13.687 -0.513 1.00 0.00 O ATOM 0 H TYR A 59 1.880 -7.752 2.045 1.00 0.00 H new ATOM 0 HA TYR A 59 3.357 -8.580 -0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.521 -7.643 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.162 -7.772 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.951 -9.874 1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.758 -9.765 -2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.380 -12.262 1.638 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.185 -12.152 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.190 -13.981 -1.440 1.00 0.00 H new ATOM 919 N LEU A 60 3.887 -5.859 0.590 1.00 0.00 N ATOM 920 CA LEU A 60 4.358 -4.497 0.362 1.00 0.00 C ATOM 921 C LEU A 60 5.846 -4.377 0.674 1.00 0.00 C ATOM 922 O LEU A 60 6.347 -4.998 1.612 1.00 0.00 O ATOM 923 CB LEU A 60 3.564 -3.511 1.220 1.00 0.00 C ATOM 924 CG LEU A 60 2.041 -3.615 1.126 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.384 -2.874 2.280 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.551 -3.070 -0.208 1.00 0.00 C ATOM 0 H LEU A 60 4.240 -6.290 1.444 1.00 0.00 H new ATOM 0 HA LEU A 60 4.205 -4.257 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.854 -3.651 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.857 -2.499 0.940 1.00 0.00 H new ATOM 0 HG LEU A 60 1.763 -4.667 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.300 -2.959 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.711 -3.309 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.669 -1.823 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.465 -3.152 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.841 -2.023 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.996 -3.644 -1.021 1.00 0.00 H new ATOM 938 N LYS A 61 6.549 -3.573 -0.117 1.00 0.00 N ATOM 939 CA LYS A 61 7.979 -3.367 0.076 1.00 0.00 C ATOM 940 C LYS A 61 8.340 -1.892 -0.067 1.00 0.00 C ATOM 941 O LYS A 61 7.882 -1.216 -0.989 1.00 0.00 O ATOM 942 CB LYS A 61 8.775 -4.198 -0.933 1.00 0.00 C ATOM 943 CG LYS A 61 8.711 -3.658 -2.351 1.00 0.00 C ATOM 944 CD LYS A 61 9.686 -4.379 -3.266 1.00 0.00 C ATOM 945 CE LYS A 61 9.849 -3.651 -4.592 1.00 0.00 C ATOM 946 NZ LYS A 61 10.829 -2.535 -4.496 1.00 0.00 N ATOM 0 H LYS A 61 6.150 -3.053 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 61 8.235 -3.689 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.817 -4.239 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.399 -5.221 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.698 -3.768 -2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.936 -2.592 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.655 -4.462 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.333 -5.394 -3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.176 -4.357 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.883 -3.260 -4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.911 -2.065 -5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.505 -1.848 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.757 -2.911 -4.215 1.00 0.00 H new ATOM 960 N LYS A 62 9.165 -1.399 0.850 1.00 0.00 N ATOM 961 CA LYS A 62 9.591 -0.004 0.826 1.00 0.00 C ATOM 962 C LYS A 62 10.400 0.295 -0.431 1.00 0.00 C ATOM 963 O LYS A 62 11.552 -0.121 -0.553 1.00 0.00 O ATOM 964 CB LYS A 62 10.423 0.318 2.070 1.00 0.00 C ATOM 965 CG LYS A 62 10.320 1.768 2.511 1.00 0.00 C ATOM 966 CD LYS A 62 10.676 2.721 1.381 1.00 0.00 C ATOM 967 CE LYS A 62 10.346 4.161 1.743 1.00 0.00 C ATOM 968 NZ LYS A 62 10.278 5.033 0.538 1.00 0.00 N ATOM 0 H LYS A 62 9.552 -1.945 1.620 1.00 0.00 H new ATOM 0 HA LYS A 62 8.699 0.623 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.102 -0.326 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.468 0.081 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.307 1.973 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.986 1.940 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.738 2.636 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.133 2.437 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.392 4.194 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.102 4.546 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.051 6.006 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.196 5.022 0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.540 4.681 -0.104 1.00 0.00 H new ATOM 982 N ALA A 63 9.791 1.020 -1.364 1.00 0.00 N ATOM 983 CA ALA A 63 10.457 1.378 -2.611 1.00 0.00 C ATOM 984 C ALA A 63 11.948 1.611 -2.389 1.00 0.00 C ATOM 985 O ALA A 63 12.783 1.125 -3.152 1.00 0.00 O ATOM 986 CB ALA A 63 9.811 2.616 -3.216 1.00 0.00 C ATOM 0 H ALA A 63 8.837 1.371 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 63 10.346 0.546 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.317 2.873 -4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.759 2.415 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.893 3.448 -2.517 1.00 0.00 H new