USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 103:sc= 0.337! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 23 ASN : amide:sc= -2.14 K(o=-2.1,f=-1.6) USER MOD Single : A 26 GLN : amide:sc= -0.0701 X(o=-0.07,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 24:sc= -1.88 USER MOD Single : A 49 LYS NZ :NH3+ 162:sc=-0.00831 (180deg=-0.529) USER MOD Single : A 50 ASN : amide:sc= -0.0546 K(o=-0.055,f=-1.7!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0841 USER MOD Single : A 58 SER OG : rot 52:sc= -0.0425! USER MOD Single : A 59 ASN : amide:sc= -3.17 K(o=-3.2,f=-2.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -126:sc= 0.406 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 55.140 7.646 -4.302 1.00 0.00 N ATOM 131 CA LYS A 10 54.971 6.170 -4.443 1.00 0.00 C ATOM 132 C LYS A 10 56.200 5.443 -3.887 1.00 0.00 C ATOM 133 O LYS A 10 57.118 6.059 -3.379 1.00 0.00 O ATOM 134 CB LYS A 10 54.832 5.923 -5.947 1.00 0.00 C ATOM 135 CG LYS A 10 53.361 6.036 -6.349 1.00 0.00 C ATOM 136 CD LYS A 10 53.104 5.177 -7.591 1.00 0.00 C ATOM 137 CE LYS A 10 53.227 6.044 -8.846 1.00 0.00 C ATOM 138 NZ LYS A 10 52.742 5.180 -9.959 1.00 0.00 N ATOM 0 HA LYS A 10 54.106 5.800 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.428 6.647 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 10 55.214 4.934 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.722 5.708 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 10 53.108 7.076 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.819 4.355 -7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.110 4.732 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 10 52.628 6.951 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.258 6.358 -9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 52.796 5.705 -10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 53.335 4.328 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 51.756 4.903 -9.779 1.00 0.00 H new ATOM 152 N VAL A 11 56.222 4.140 -3.987 1.00 0.00 N ATOM 153 CA VAL A 11 57.386 3.351 -3.472 1.00 0.00 C ATOM 154 C VAL A 11 57.471 2.028 -4.224 1.00 0.00 C ATOM 155 O VAL A 11 56.493 1.551 -4.760 1.00 0.00 O ATOM 156 CB VAL A 11 57.130 3.102 -1.980 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.320 4.407 -1.207 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.713 2.564 -1.764 1.00 0.00 C ATOM 0 H VAL A 11 55.478 3.582 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 11 58.326 3.884 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 11 57.839 2.359 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.138 4.232 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.339 4.767 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.618 5.154 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.547 2.393 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 11 54.988 3.290 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.594 1.626 -2.306 1.00 0.00 H new ATOM 168 N VAL A 12 58.631 1.437 -4.266 1.00 0.00 N ATOM 169 CA VAL A 12 58.792 0.146 -4.993 1.00 0.00 C ATOM 170 C VAL A 12 58.786 -1.012 -3.972 1.00 0.00 C ATOM 171 O VAL A 12 58.730 -0.790 -2.780 1.00 0.00 O ATOM 172 CB VAL A 12 60.151 0.317 -5.731 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.059 -0.919 -5.630 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.886 0.604 -7.204 1.00 0.00 C ATOM 0 H VAL A 12 59.479 1.794 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 12 57.996 -0.090 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 12 60.671 1.143 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.989 -0.732 -6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.279 -1.124 -4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.554 -1.779 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.834 0.725 -7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.333 -0.226 -7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.301 1.519 -7.297 1.00 0.00 H new ATOM 184 N ALA A 13 58.859 -2.236 -4.435 1.00 0.00 N ATOM 185 CA ALA A 13 58.872 -3.398 -3.496 1.00 0.00 C ATOM 186 C ALA A 13 60.214 -4.131 -3.583 1.00 0.00 C ATOM 187 O ALA A 13 60.843 -4.166 -4.624 1.00 0.00 O ATOM 188 CB ALA A 13 57.743 -4.306 -3.972 1.00 0.00 C ATOM 0 H ALA A 13 58.910 -2.480 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 13 58.740 -3.090 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.688 -5.185 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.798 -3.765 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.935 -4.618 -4.999 1.00 0.00 H new ATOM 194 N LEU A 14 60.652 -4.717 -2.498 1.00 0.00 N ATOM 195 CA LEU A 14 61.953 -5.453 -2.512 1.00 0.00 C ATOM 196 C LEU A 14 61.718 -6.957 -2.334 1.00 0.00 C ATOM 197 O LEU A 14 62.507 -7.770 -2.776 1.00 0.00 O ATOM 198 CB LEU A 14 62.744 -4.891 -1.329 1.00 0.00 C ATOM 199 CG LEU A 14 63.340 -3.533 -1.708 1.00 0.00 C ATOM 200 CD1 LEU A 14 64.026 -2.918 -0.486 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.369 -3.719 -2.827 1.00 0.00 C ATOM 0 H LEU A 14 60.165 -4.718 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 14 62.485 -5.325 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.093 -4.784 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.538 -5.583 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 14 62.544 -2.872 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.451 -1.951 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.296 -2.784 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.821 -3.580 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.793 -2.751 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.164 -4.381 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.883 -4.157 -3.699 1.00 0.00 H new ATOM 213 N TYR A 15 60.642 -7.329 -1.687 1.00 0.00 N ATOM 214 CA TYR A 15 60.354 -8.781 -1.476 1.00 0.00 C ATOM 215 C TYR A 15 58.843 -9.024 -1.410 1.00 0.00 C ATOM 216 O TYR A 15 58.054 -8.102 -1.474 1.00 0.00 O ATOM 217 CB TYR A 15 61.011 -9.123 -0.139 1.00 0.00 C ATOM 218 CG TYR A 15 62.509 -8.977 -0.261 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.230 -9.837 -1.097 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.177 -7.980 0.461 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.619 -9.702 -1.211 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.566 -7.844 0.346 1.00 0.00 C ATOM 223 CZ TYR A 15 65.287 -8.705 -0.489 1.00 0.00 C ATOM 224 OH TYR A 15 66.655 -8.571 -0.601 1.00 0.00 O ATOM 0 H TYR A 15 59.950 -6.690 -1.296 1.00 0.00 H new ATOM 0 HA TYR A 15 60.735 -9.398 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.633 -8.464 0.643 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.757 -10.142 0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.715 -10.605 -1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.621 -7.316 1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.175 -10.367 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.081 -7.074 0.902 1.00 0.00 H new ATOM 0 HH TYR A 15 66.959 -7.831 -0.035 1.00 0.00 H new ATOM 234 N ASP A 16 58.442 -10.264 -1.285 1.00 0.00 N ATOM 235 CA ASP A 16 56.982 -10.585 -1.215 1.00 0.00 C ATOM 236 C ASP A 16 56.453 -10.372 0.208 1.00 0.00 C ATOM 237 O ASP A 16 57.199 -10.391 1.167 1.00 0.00 O ATOM 238 CB ASP A 16 56.881 -12.060 -1.609 1.00 0.00 C ATOM 239 CG ASP A 16 56.975 -12.190 -3.130 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.004 -11.865 -3.793 1.00 0.00 O ATOM 241 OD2 ASP A 16 58.015 -12.613 -3.606 1.00 0.00 O ATOM 0 H ASP A 16 59.064 -11.071 -1.228 1.00 0.00 H new ATOM 0 HA ASP A 16 56.390 -9.945 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.680 -12.629 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.939 -12.478 -1.255 1.00 0.00 H new ATOM 246 N TYR A 17 55.167 -10.165 0.342 1.00 0.00 N ATOM 247 CA TYR A 17 54.565 -9.945 1.692 1.00 0.00 C ATOM 248 C TYR A 17 53.038 -10.022 1.573 1.00 0.00 C ATOM 249 O TYR A 17 52.335 -9.055 1.790 1.00 0.00 O ATOM 250 CB TYR A 17 55.040 -8.538 2.095 1.00 0.00 C ATOM 251 CG TYR A 17 54.384 -8.070 3.381 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.221 -8.944 4.465 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.948 -6.743 3.486 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.621 -8.487 5.648 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.351 -6.287 4.666 1.00 0.00 C ATOM 256 CZ TYR A 17 53.188 -7.159 5.749 1.00 0.00 C ATOM 257 OH TYR A 17 52.600 -6.711 6.913 1.00 0.00 O ATOM 0 H TYR A 17 54.504 -10.139 -0.432 1.00 0.00 H new ATOM 0 HA TYR A 17 54.859 -10.686 2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.123 -8.541 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.813 -7.834 1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.557 -9.968 4.389 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.073 -6.069 2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.493 -9.161 6.482 1.00 0.00 H new ATOM 0 HE2 TYR A 17 53.016 -5.263 4.741 1.00 0.00 H new ATOM 0 HH TYR A 17 53.245 -6.175 7.420 1.00 0.00 H new ATOM 267 N MET A 18 52.530 -11.176 1.210 1.00 0.00 N ATOM 268 CA MET A 18 51.050 -11.344 1.049 1.00 0.00 C ATOM 269 C MET A 18 50.337 -11.279 2.414 1.00 0.00 C ATOM 270 O MET A 18 50.945 -11.562 3.427 1.00 0.00 O ATOM 271 CB MET A 18 50.863 -12.725 0.407 1.00 0.00 C ATOM 272 CG MET A 18 51.485 -13.807 1.298 1.00 0.00 C ATOM 273 SD MET A 18 50.763 -15.415 0.885 1.00 0.00 S ATOM 274 CE MET A 18 52.214 -16.111 0.060 1.00 0.00 C ATOM 0 H MET A 18 53.080 -12.013 1.017 1.00 0.00 H new ATOM 0 HA MET A 18 50.621 -10.550 0.437 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.802 -12.927 0.263 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.328 -12.743 -0.579 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.565 -13.834 1.156 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.307 -13.575 2.348 1.00 0.00 H new ATOM 0 HE1 MET A 18 51.988 -17.121 -0.283 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.480 -15.489 -0.794 1.00 0.00 H new ATOM 0 HE3 MET A 18 53.049 -16.144 0.759 1.00 0.00 H new ATOM 284 N PRO A 19 49.066 -10.901 2.413 1.00 0.00 N ATOM 285 CA PRO A 19 48.309 -10.804 3.685 1.00 0.00 C ATOM 286 C PRO A 19 48.073 -12.184 4.304 1.00 0.00 C ATOM 287 O PRO A 19 48.154 -13.200 3.641 1.00 0.00 O ATOM 288 CB PRO A 19 46.982 -10.173 3.245 1.00 0.00 C ATOM 289 CG PRO A 19 47.027 -9.940 1.724 1.00 0.00 C ATOM 290 CD PRO A 19 48.321 -10.542 1.174 1.00 0.00 C ATOM 0 HA PRO A 19 48.834 -10.231 4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.149 -10.827 3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.820 -9.230 3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.163 -10.400 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.983 -8.873 1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.129 -11.415 0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.872 -9.828 0.562 1.00 0.00 H new ATOM 298 N MET A 20 47.768 -12.211 5.574 1.00 0.00 N ATOM 299 CA MET A 20 47.504 -13.505 6.269 1.00 0.00 C ATOM 300 C MET A 20 46.111 -13.460 6.895 1.00 0.00 C ATOM 301 O MET A 20 45.345 -14.402 6.807 1.00 0.00 O ATOM 302 CB MET A 20 48.575 -13.610 7.360 1.00 0.00 C ATOM 303 CG MET A 20 49.967 -13.549 6.724 1.00 0.00 C ATOM 304 SD MET A 20 51.123 -14.549 7.695 1.00 0.00 S ATOM 305 CE MET A 20 52.646 -13.776 7.098 1.00 0.00 C ATOM 0 H MET A 20 47.690 -11.384 6.165 1.00 0.00 H new ATOM 0 HA MET A 20 47.541 -14.359 5.593 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.457 -12.799 8.078 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.457 -14.543 7.911 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.926 -13.916 5.698 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.313 -12.516 6.679 1.00 0.00 H new ATOM 0 HE1 MET A 20 53.505 -14.247 7.576 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.718 -13.901 6.018 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.634 -12.713 7.341 1.00 0.00 H new ATOM 315 N ASN A 21 45.781 -12.360 7.522 1.00 0.00 N ATOM 316 CA ASN A 21 44.438 -12.222 8.158 1.00 0.00 C ATOM 317 C ASN A 21 43.599 -11.188 7.395 1.00 0.00 C ATOM 318 O ASN A 21 42.738 -11.536 6.610 1.00 0.00 O ATOM 319 CB ASN A 21 44.723 -11.753 9.587 1.00 0.00 C ATOM 320 CG ASN A 21 44.772 -12.963 10.522 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.790 -13.659 10.687 1.00 0.00 O ATOM 322 ND2 ASN A 21 45.884 -13.246 11.145 1.00 0.00 N ATOM 0 H ASN A 21 46.389 -11.547 7.621 1.00 0.00 H new ATOM 0 HA ASN A 21 43.872 -13.153 8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.670 -11.215 9.622 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.949 -11.059 9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 21 45.928 -14.051 11.770 1.00 0.00 H new ATOM 0 HD22 ASN A 21 46.709 -12.662 11.007 1.00 0.00 H new ATOM 329 N ALA A 22 43.846 -9.919 7.619 1.00 0.00 N ATOM 330 CA ALA A 22 43.070 -8.855 6.907 1.00 0.00 C ATOM 331 C ALA A 22 43.670 -7.473 7.196 1.00 0.00 C ATOM 332 O ALA A 22 43.089 -6.667 7.899 1.00 0.00 O ATOM 333 CB ALA A 22 41.646 -8.949 7.465 1.00 0.00 C ATOM 0 H ALA A 22 44.554 -9.574 8.267 1.00 0.00 H new ATOM 0 HA ALA A 22 43.091 -8.990 5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.018 -8.197 6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.241 -9.941 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.665 -8.777 8.541 1.00 0.00 H new ATOM 339 N ASN A 23 44.828 -7.199 6.655 1.00 0.00 N ATOM 340 CA ASN A 23 45.483 -5.874 6.885 1.00 0.00 C ATOM 341 C ASN A 23 46.619 -5.656 5.901 1.00 0.00 C ATOM 342 O ASN A 23 46.642 -4.700 5.153 1.00 0.00 O ATOM 343 CB ASN A 23 46.072 -5.943 8.285 1.00 0.00 C ATOM 344 CG ASN A 23 45.070 -5.396 9.302 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.859 -4.203 9.383 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.438 -6.224 10.088 1.00 0.00 N ATOM 0 H ASN A 23 45.353 -7.840 6.059 1.00 0.00 H new ATOM 0 HA ASN A 23 44.765 -5.063 6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.326 -6.974 8.531 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.997 -5.368 8.328 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.767 -5.869 10.770 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.615 -7.226 10.021 1.00 0.00 H new ATOM 353 N ASP A 24 47.582 -6.534 5.944 1.00 0.00 N ATOM 354 CA ASP A 24 48.781 -6.411 5.063 1.00 0.00 C ATOM 355 C ASP A 24 48.384 -6.101 3.603 1.00 0.00 C ATOM 356 O ASP A 24 47.434 -6.651 3.077 1.00 0.00 O ATOM 357 CB ASP A 24 49.497 -7.780 5.209 1.00 0.00 C ATOM 358 CG ASP A 24 50.253 -8.189 3.929 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.599 -8.433 2.928 1.00 0.00 O ATOM 360 OD2 ASP A 24 51.466 -8.258 3.976 1.00 0.00 O ATOM 0 H ASP A 24 47.590 -7.345 6.562 1.00 0.00 H new ATOM 0 HA ASP A 24 49.430 -5.583 5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 24 50.198 -7.733 6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 24 48.762 -8.547 5.454 1.00 0.00 H new ATOM 365 N LEU A 25 49.131 -5.246 2.955 1.00 0.00 N ATOM 366 CA LEU A 25 48.840 -4.913 1.533 1.00 0.00 C ATOM 367 C LEU A 25 49.566 -5.924 0.640 1.00 0.00 C ATOM 368 O LEU A 25 50.754 -6.131 0.775 1.00 0.00 O ATOM 369 CB LEU A 25 49.392 -3.498 1.332 1.00 0.00 C ATOM 370 CG LEU A 25 49.077 -3.020 -0.090 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.627 -2.535 -0.160 1.00 0.00 C ATOM 372 CD2 LEU A 25 50.011 -1.868 -0.468 1.00 0.00 C ATOM 0 H LEU A 25 49.935 -4.762 3.354 1.00 0.00 H new ATOM 0 HA LEU A 25 47.779 -4.954 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.951 -2.818 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.469 -3.490 1.499 1.00 0.00 H new ATOM 0 HG LEU A 25 49.221 -3.848 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.405 -2.196 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.957 -3.353 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.485 -1.710 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.783 -1.532 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.871 -1.042 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.045 -2.209 -0.423 1.00 0.00 H new ATOM 384 N GLN A 26 48.858 -6.575 -0.247 1.00 0.00 N ATOM 385 CA GLN A 26 49.505 -7.602 -1.132 1.00 0.00 C ATOM 386 C GLN A 26 50.684 -7.007 -1.910 1.00 0.00 C ATOM 387 O GLN A 26 50.523 -6.510 -3.009 1.00 0.00 O ATOM 388 CB GLN A 26 48.405 -8.049 -2.097 1.00 0.00 C ATOM 389 CG GLN A 26 47.296 -8.757 -1.316 1.00 0.00 C ATOM 390 CD GLN A 26 46.000 -8.726 -2.128 1.00 0.00 C ATOM 391 OE1 GLN A 26 44.940 -8.475 -1.591 1.00 0.00 O ATOM 392 NE2 GLN A 26 46.041 -8.974 -3.408 1.00 0.00 N ATOM 0 H GLN A 26 47.858 -6.443 -0.400 1.00 0.00 H new ATOM 0 HA GLN A 26 49.909 -8.430 -0.549 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.998 -7.187 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.818 -8.719 -2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.583 -9.788 -1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.146 -8.269 -0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.932 -9.185 -3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.182 -8.957 -3.958 1.00 0.00 H new ATOM 401 N LEU A 27 51.868 -7.068 -1.351 1.00 0.00 N ATOM 402 CA LEU A 27 53.061 -6.524 -2.055 1.00 0.00 C ATOM 403 C LEU A 27 53.659 -7.582 -2.987 1.00 0.00 C ATOM 404 O LEU A 27 53.103 -8.646 -3.179 1.00 0.00 O ATOM 405 CB LEU A 27 54.058 -6.156 -0.950 1.00 0.00 C ATOM 406 CG LEU A 27 53.829 -4.707 -0.512 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.083 -4.681 0.828 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.180 -3.995 -0.364 1.00 0.00 C ATOM 0 H LEU A 27 52.056 -7.473 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 27 52.809 -5.662 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.937 -6.827 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.079 -6.280 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 27 53.230 -4.195 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.923 -3.648 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.120 -5.181 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.675 -5.196 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.015 -2.964 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.782 -4.509 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.704 -4.006 -1.320 1.00 0.00 H new ATOM 420 N ARG A 28 54.791 -7.283 -3.563 1.00 0.00 N ATOM 421 CA ARG A 28 55.473 -8.232 -4.497 1.00 0.00 C ATOM 422 C ARG A 28 56.789 -7.601 -4.961 1.00 0.00 C ATOM 423 O ARG A 28 56.816 -6.464 -5.388 1.00 0.00 O ATOM 424 CB ARG A 28 54.523 -8.410 -5.689 1.00 0.00 C ATOM 425 CG ARG A 28 55.131 -9.396 -6.689 1.00 0.00 C ATOM 426 CD ARG A 28 54.011 -10.140 -7.419 1.00 0.00 C ATOM 427 NE ARG A 28 53.796 -9.373 -8.678 1.00 0.00 N ATOM 428 CZ ARG A 28 52.642 -9.425 -9.284 1.00 0.00 C ATOM 429 NH1 ARG A 28 52.288 -10.508 -9.922 1.00 0.00 N ATOM 430 NH2 ARG A 28 51.842 -8.395 -9.254 1.00 0.00 N ATOM 0 H ARG A 28 55.285 -6.401 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 28 55.695 -9.190 -4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.556 -8.776 -5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 28 54.346 -7.449 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.756 -8.864 -7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 28 55.775 -10.106 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 28 54.294 -11.172 -7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.103 -10.174 -6.818 1.00 0.00 H new ATOM 0 HE ARG A 28 54.551 -8.807 -9.066 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.914 -11.313 -9.946 1.00 0.00 H new ATOM 0 HH12 ARG A 28 51.386 -10.549 -10.396 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.119 -7.549 -8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 28 50.940 -8.436 -9.728 1.00 0.00 H new ATOM 444 N LYS A 29 57.878 -8.322 -4.872 1.00 0.00 N ATOM 445 CA LYS A 29 59.200 -7.753 -5.294 1.00 0.00 C ATOM 446 C LYS A 29 59.135 -7.183 -6.717 1.00 0.00 C ATOM 447 O LYS A 29 58.707 -7.842 -7.644 1.00 0.00 O ATOM 448 CB LYS A 29 60.181 -8.928 -5.226 1.00 0.00 C ATOM 449 CG LYS A 29 61.593 -8.438 -5.552 1.00 0.00 C ATOM 450 CD LYS A 29 62.600 -9.554 -5.265 1.00 0.00 C ATOM 451 CE LYS A 29 63.780 -9.439 -6.232 1.00 0.00 C ATOM 452 NZ LYS A 29 64.450 -10.769 -6.179 1.00 0.00 N ATOM 0 H LYS A 29 57.912 -9.281 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 29 59.503 -6.926 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.161 -9.375 -4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.883 -9.705 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.653 -8.140 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.830 -7.557 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.952 -9.485 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.121 -10.527 -5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.442 -9.207 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 29 64.460 -8.642 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 65.271 -10.770 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.767 -10.960 -5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.780 -11.507 -6.476 1.00 0.00 H new ATOM 466 N GLY A 30 59.561 -5.954 -6.883 1.00 0.00 N ATOM 467 CA GLY A 30 59.534 -5.317 -8.232 1.00 0.00 C ATOM 468 C GLY A 30 58.269 -4.469 -8.382 1.00 0.00 C ATOM 469 O GLY A 30 58.232 -3.536 -9.162 1.00 0.00 O ATOM 0 H GLY A 30 59.928 -5.364 -6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.418 -4.694 -8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.562 -6.084 -9.006 1.00 0.00 H new ATOM 473 N ASP A 31 57.232 -4.783 -7.643 1.00 0.00 N ATOM 474 CA ASP A 31 55.971 -3.993 -7.747 1.00 0.00 C ATOM 475 C ASP A 31 56.090 -2.710 -6.920 1.00 0.00 C ATOM 476 O ASP A 31 56.793 -2.667 -5.931 1.00 0.00 O ATOM 477 CB ASP A 31 54.874 -4.906 -7.186 1.00 0.00 C ATOM 478 CG ASP A 31 53.715 -4.999 -8.184 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.103 -3.977 -8.447 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.460 -6.090 -8.666 1.00 0.00 O ATOM 0 H ASP A 31 57.207 -5.552 -6.974 1.00 0.00 H new ATOM 0 HA ASP A 31 55.753 -3.692 -8.772 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.279 -5.899 -6.991 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.515 -4.516 -6.234 1.00 0.00 H new ATOM 485 N GLU A 32 55.410 -1.665 -7.317 1.00 0.00 N ATOM 486 CA GLU A 32 55.487 -0.380 -6.549 1.00 0.00 C ATOM 487 C GLU A 32 54.080 0.007 -6.082 1.00 0.00 C ATOM 488 O GLU A 32 53.097 -0.483 -6.609 1.00 0.00 O ATOM 489 CB GLU A 32 56.062 0.680 -7.514 1.00 0.00 C ATOM 490 CG GLU A 32 57.150 0.083 -8.424 1.00 0.00 C ATOM 491 CD GLU A 32 56.498 -0.509 -9.675 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.904 0.249 -10.425 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.606 -1.709 -9.863 1.00 0.00 O ATOM 0 H GLU A 32 54.805 -1.643 -8.138 1.00 0.00 H new ATOM 0 HA GLU A 32 56.121 -0.467 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.259 1.090 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.480 1.507 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.868 0.854 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.704 -0.689 -7.889 1.00 0.00 H new ATOM 500 N TYR A 33 53.971 0.835 -5.070 1.00 0.00 N ATOM 501 CA TYR A 33 52.617 1.192 -4.542 1.00 0.00 C ATOM 502 C TYR A 33 52.466 2.701 -4.324 1.00 0.00 C ATOM 503 O TYR A 33 53.272 3.499 -4.762 1.00 0.00 O ATOM 504 CB TYR A 33 52.517 0.480 -3.185 1.00 0.00 C ATOM 505 CG TYR A 33 53.104 -0.912 -3.262 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.361 -1.962 -3.808 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.405 -1.135 -2.804 1.00 0.00 C ATOM 508 CE1 TYR A 33 52.922 -3.238 -3.898 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.965 -2.409 -2.889 1.00 0.00 C ATOM 510 CZ TYR A 33 54.225 -3.461 -3.438 1.00 0.00 C ATOM 511 OH TYR A 33 54.783 -4.714 -3.538 1.00 0.00 O ATOM 0 H TYR A 33 54.756 1.276 -4.590 1.00 0.00 H new ATOM 0 HA TYR A 33 51.840 0.896 -5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.043 1.059 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.473 0.422 -2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.355 -1.787 -4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.977 -0.321 -2.384 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.351 -4.051 -4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.969 -2.583 -2.531 1.00 0.00 H new ATOM 0 HH TYR A 33 54.340 -5.213 -4.256 1.00 0.00 H new ATOM 521 N PHE A 34 51.425 3.078 -3.625 1.00 0.00 N ATOM 522 CA PHE A 34 51.172 4.520 -3.327 1.00 0.00 C ATOM 523 C PHE A 34 51.189 4.742 -1.814 1.00 0.00 C ATOM 524 O PHE A 34 50.505 4.057 -1.080 1.00 0.00 O ATOM 525 CB PHE A 34 49.780 4.799 -3.883 1.00 0.00 C ATOM 526 CG PHE A 34 49.892 5.284 -5.309 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.392 6.564 -5.575 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.496 4.454 -6.365 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.496 7.015 -6.896 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.601 4.904 -7.686 1.00 0.00 C ATOM 531 CZ PHE A 34 50.101 6.184 -7.952 1.00 0.00 C ATOM 0 H PHE A 34 50.730 2.437 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 34 51.925 5.175 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.173 3.894 -3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.277 5.548 -3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.698 7.204 -4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.110 3.467 -6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.881 8.003 -7.101 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.296 4.263 -8.500 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.182 6.531 -8.972 1.00 0.00 H new ATOM 541 N ILE A 35 51.967 5.684 -1.342 1.00 0.00 N ATOM 542 CA ILE A 35 52.035 5.928 0.132 1.00 0.00 C ATOM 543 C ILE A 35 51.102 7.062 0.556 1.00 0.00 C ATOM 544 O ILE A 35 51.107 8.138 -0.011 1.00 0.00 O ATOM 545 CB ILE A 35 53.493 6.307 0.417 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.441 5.202 -0.070 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.692 6.519 1.921 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.100 3.868 0.605 1.00 0.00 C ATOM 0 H ILE A 35 52.556 6.292 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 35 51.720 5.046 0.690 1.00 0.00 H new ATOM 0 HB ILE A 35 53.720 7.230 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.364 5.099 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.473 5.476 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.730 6.788 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.039 7.321 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.449 5.599 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.781 3.095 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.201 3.971 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.075 3.588 0.361 1.00 0.00 H new ATOM 560 N LEU A 36 50.327 6.822 1.577 1.00 0.00 N ATOM 561 CA LEU A 36 49.400 7.865 2.096 1.00 0.00 C ATOM 562 C LEU A 36 49.933 8.380 3.435 1.00 0.00 C ATOM 563 O LEU A 36 49.750 9.528 3.792 1.00 0.00 O ATOM 564 CB LEU A 36 48.062 7.149 2.287 1.00 0.00 C ATOM 565 CG LEU A 36 47.293 7.122 0.963 1.00 0.00 C ATOM 566 CD1 LEU A 36 48.066 6.296 -0.068 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.918 6.490 1.190 1.00 0.00 C ATOM 0 H LEU A 36 50.297 5.935 2.080 1.00 0.00 H new ATOM 0 HA LEU A 36 49.301 8.720 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.231 6.132 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.473 7.658 3.050 1.00 0.00 H new ATOM 0 HG LEU A 36 47.175 8.141 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.515 6.280 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 36 49.047 6.742 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 36 48.187 5.277 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.367 6.469 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 36 46.042 5.472 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.364 7.078 1.922 1.00 0.00 H new ATOM 579 N GLU A 37 50.600 7.526 4.173 1.00 0.00 N ATOM 580 CA GLU A 37 51.168 7.932 5.493 1.00 0.00 C ATOM 581 C GLU A 37 52.052 6.802 6.025 1.00 0.00 C ATOM 582 O GLU A 37 51.749 5.638 5.838 1.00 0.00 O ATOM 583 CB GLU A 37 49.959 8.144 6.407 1.00 0.00 C ATOM 584 CG GLU A 37 50.229 9.323 7.345 1.00 0.00 C ATOM 585 CD GLU A 37 48.927 9.742 8.029 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.199 8.864 8.462 1.00 0.00 O ATOM 587 OE2 GLU A 37 48.678 10.934 8.108 1.00 0.00 O ATOM 0 H GLU A 37 50.776 6.556 3.913 1.00 0.00 H new ATOM 0 HA GLU A 37 51.780 8.832 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.068 8.337 5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.765 7.241 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.971 9.043 8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.643 10.161 6.783 1.00 0.00 H new ATOM 653 N PRO A 42 57.844 2.055 10.891 1.00 0.00 N ATOM 654 CA PRO A 42 58.256 1.312 9.664 1.00 0.00 C ATOM 655 C PRO A 42 57.064 0.775 8.854 1.00 0.00 C ATOM 656 O PRO A 42 57.059 0.860 7.639 1.00 0.00 O ATOM 657 CB PRO A 42 59.114 0.175 10.230 1.00 0.00 C ATOM 658 CG PRO A 42 59.181 0.324 11.762 1.00 0.00 C ATOM 659 CD PRO A 42 58.536 1.660 12.150 1.00 0.00 C ATOM 0 HA PRO A 42 58.782 1.947 8.952 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.686 -0.791 9.962 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.116 0.209 9.803 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.661 -0.502 12.246 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.216 0.291 12.101 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.838 1.549 12.980 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.279 2.397 12.454 1.00 0.00 H new ATOM 667 N TRP A 43 56.065 0.227 9.495 1.00 0.00 N ATOM 668 CA TRP A 43 54.893 -0.310 8.729 1.00 0.00 C ATOM 669 C TRP A 43 54.001 0.851 8.276 1.00 0.00 C ATOM 670 O TRP A 43 53.590 1.680 9.065 1.00 0.00 O ATOM 671 CB TRP A 43 54.150 -1.220 9.710 1.00 0.00 C ATOM 672 CG TRP A 43 55.058 -2.305 10.182 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.850 -2.202 11.257 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.281 -3.634 9.628 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.556 -3.381 11.415 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.239 -4.297 10.432 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.755 -4.323 8.521 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.659 -5.596 10.149 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.176 -5.632 8.233 1.00 0.00 C ATOM 680 CH2 TRP A 43 56.127 -6.266 9.046 1.00 0.00 C ATOM 0 H TRP A 43 56.006 0.127 10.508 1.00 0.00 H new ATOM 0 HA TRP A 43 55.192 -0.855 7.834 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.792 -0.638 10.559 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.273 -1.652 9.227 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.925 -1.336 11.898 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.227 -3.552 12.164 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.023 -3.843 7.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.391 -6.080 10.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.765 -6.153 7.381 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.447 -7.272 8.819 1.00 0.00 H new ATOM 691 N TRP A 44 53.731 0.933 6.998 1.00 0.00 N ATOM 692 CA TRP A 44 52.906 2.058 6.467 1.00 0.00 C ATOM 693 C TRP A 44 51.466 1.636 6.176 1.00 0.00 C ATOM 694 O TRP A 44 51.038 0.543 6.482 1.00 0.00 O ATOM 695 CB TRP A 44 53.569 2.417 5.138 1.00 0.00 C ATOM 696 CG TRP A 44 54.981 2.878 5.320 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.564 3.292 6.474 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.993 2.982 4.292 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.880 3.636 6.206 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.189 3.462 4.868 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.977 2.701 2.920 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.338 3.657 4.097 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.119 2.894 2.140 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.302 3.372 2.725 1.00 0.00 C ATOM 0 H TRP A 44 54.049 0.265 6.296 1.00 0.00 H new ATOM 0 HA TRP A 44 52.860 2.873 7.189 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.554 1.549 4.479 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.993 3.201 4.646 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.083 3.345 7.440 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.538 3.975 6.907 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.072 2.331 2.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.245 4.024 4.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.092 2.675 1.083 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.183 3.520 2.119 1.00 0.00 H new ATOM 715 N ARG A 45 50.742 2.514 5.533 1.00 0.00 N ATOM 716 CA ARG A 45 49.340 2.226 5.132 1.00 0.00 C ATOM 717 C ARG A 45 49.181 2.728 3.693 1.00 0.00 C ATOM 718 O ARG A 45 48.563 3.742 3.434 1.00 0.00 O ATOM 719 CB ARG A 45 48.464 3.027 6.097 1.00 0.00 C ATOM 720 CG ARG A 45 48.294 2.246 7.402 1.00 0.00 C ATOM 721 CD ARG A 45 46.916 2.539 7.997 1.00 0.00 C ATOM 722 NE ARG A 45 47.140 3.659 8.952 1.00 0.00 N ATOM 723 CZ ARG A 45 46.954 3.475 10.230 1.00 0.00 C ATOM 724 NH1 ARG A 45 47.558 2.493 10.843 1.00 0.00 N ATOM 725 NH2 ARG A 45 46.163 4.272 10.895 1.00 0.00 N ATOM 0 H ARG A 45 51.075 3.440 5.264 1.00 0.00 H new ATOM 0 HA ARG A 45 49.070 1.171 5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.919 3.997 6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.490 3.219 5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 45 48.401 1.178 7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 45 49.074 2.526 8.110 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.202 2.818 7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.510 1.663 8.504 1.00 0.00 H new ATOM 0 HE ARG A 45 47.439 4.571 8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 45 48.175 1.870 10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 45 47.413 2.349 11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 45 45.691 5.038 10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 45 46.017 4.129 11.894 1.00 0.00 H new ATOM 739 N ALA A 46 49.790 2.036 2.768 1.00 0.00 N ATOM 740 CA ALA A 46 49.759 2.456 1.336 1.00 0.00 C ATOM 741 C ALA A 46 48.834 1.549 0.524 1.00 0.00 C ATOM 742 O ALA A 46 48.359 0.540 1.010 1.00 0.00 O ATOM 743 CB ALA A 46 51.216 2.290 0.876 1.00 0.00 C ATOM 0 H ALA A 46 50.317 1.182 2.947 1.00 0.00 H new ATOM 0 HA ALA A 46 49.383 3.471 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.301 2.575 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.863 2.927 1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.519 1.250 0.995 1.00 0.00 H new ATOM 749 N ARG A 47 48.583 1.899 -0.715 1.00 0.00 N ATOM 750 CA ARG A 47 47.698 1.051 -1.568 1.00 0.00 C ATOM 751 C ARG A 47 48.467 0.559 -2.795 1.00 0.00 C ATOM 752 O ARG A 47 49.413 1.186 -3.234 1.00 0.00 O ATOM 753 CB ARG A 47 46.552 1.961 -2.001 1.00 0.00 C ATOM 754 CG ARG A 47 45.515 2.063 -0.882 1.00 0.00 C ATOM 755 CD ARG A 47 44.566 3.229 -1.167 1.00 0.00 C ATOM 756 NE ARG A 47 45.415 4.447 -1.076 1.00 0.00 N ATOM 757 CZ ARG A 47 45.154 5.482 -1.827 1.00 0.00 C ATOM 758 NH1 ARG A 47 44.057 6.163 -1.640 1.00 0.00 N ATOM 759 NH2 ARG A 47 45.989 5.835 -2.764 1.00 0.00 N ATOM 0 H ARG A 47 48.953 2.734 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 47 47.339 0.173 -1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.935 2.952 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.086 1.568 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.952 1.132 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.013 2.212 0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.113 3.137 -2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 47 43.751 3.261 -0.444 1.00 0.00 H new ATOM 0 HE ARG A 47 46.201 4.473 -0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.404 5.886 -0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.853 6.972 -2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 47 46.846 5.302 -2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 47 45.785 6.644 -3.351 1.00 0.00 H new ATOM 773 N ASP A 48 48.065 -0.554 -3.352 1.00 0.00 N ATOM 774 CA ASP A 48 48.765 -1.091 -4.552 1.00 0.00 C ATOM 775 C ASP A 48 47.980 -0.746 -5.824 1.00 0.00 C ATOM 776 O ASP A 48 47.151 0.143 -5.829 1.00 0.00 O ATOM 777 CB ASP A 48 48.817 -2.608 -4.331 1.00 0.00 C ATOM 778 CG ASP A 48 47.398 -3.193 -4.219 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.455 -2.424 -4.118 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.283 -4.407 -4.235 1.00 0.00 O ATOM 0 H ASP A 48 47.279 -1.115 -3.024 1.00 0.00 H new ATOM 0 HA ASP A 48 49.761 -0.667 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.347 -3.082 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.379 -2.829 -3.423 1.00 0.00 H new ATOM 785 N LYS A 49 48.243 -1.445 -6.898 1.00 0.00 N ATOM 786 CA LYS A 49 47.521 -1.164 -8.179 1.00 0.00 C ATOM 787 C LYS A 49 46.094 -1.734 -8.146 1.00 0.00 C ATOM 788 O LYS A 49 45.294 -1.450 -9.018 1.00 0.00 O ATOM 789 CB LYS A 49 48.347 -1.860 -9.262 1.00 0.00 C ATOM 790 CG LYS A 49 49.724 -1.200 -9.356 1.00 0.00 C ATOM 791 CD LYS A 49 49.689 -0.090 -10.408 1.00 0.00 C ATOM 792 CE LYS A 49 50.952 0.767 -10.290 1.00 0.00 C ATOM 793 NZ LYS A 49 52.069 -0.143 -10.667 1.00 0.00 N ATOM 0 H LYS A 49 48.927 -2.200 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 49 47.422 -0.093 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.455 -2.919 -9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.835 -1.796 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.008 -0.788 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.477 -1.942 -9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 49 49.623 -0.523 -11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 49 48.803 0.529 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 49 50.906 1.632 -10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 49 51.078 1.148 -9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 52.910 0.420 -10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 52.290 -0.771 -9.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 51.789 -0.715 -11.489 1.00 0.00 H new ATOM 807 N ASN A 50 45.767 -2.535 -7.158 1.00 0.00 N ATOM 808 CA ASN A 50 44.398 -3.118 -7.083 1.00 0.00 C ATOM 809 C ASN A 50 43.437 -2.188 -6.327 1.00 0.00 C ATOM 810 O ASN A 50 42.355 -2.592 -5.945 1.00 0.00 O ATOM 811 CB ASN A 50 44.573 -4.434 -6.323 1.00 0.00 C ATOM 812 CG ASN A 50 45.102 -5.508 -7.275 1.00 0.00 C ATOM 813 OD1 ASN A 50 44.807 -5.490 -8.454 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.876 -6.450 -6.811 1.00 0.00 N ATOM 0 H ASN A 50 46.394 -2.808 -6.401 1.00 0.00 H new ATOM 0 HA ASN A 50 43.968 -3.262 -8.074 1.00 0.00 H new ATOM 0 HB2 ASN A 50 45.265 -4.297 -5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.621 -4.749 -5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.233 -7.171 -7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.124 -6.465 -5.822 1.00 0.00 H new ATOM 821 N GLY A 51 43.816 -0.949 -6.108 1.00 0.00 N ATOM 822 CA GLY A 51 42.918 -0.005 -5.378 1.00 0.00 C ATOM 823 C GLY A 51 42.653 -0.528 -3.963 1.00 0.00 C ATOM 824 O GLY A 51 41.620 -0.259 -3.380 1.00 0.00 O ATOM 0 H GLY A 51 44.709 -0.554 -6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.376 0.983 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.977 0.106 -5.917 1.00 0.00 H new ATOM 828 N GLN A 52 43.578 -1.273 -3.412 1.00 0.00 N ATOM 829 CA GLN A 52 43.387 -1.818 -2.036 1.00 0.00 C ATOM 830 C GLN A 52 44.475 -1.286 -1.100 1.00 0.00 C ATOM 831 O GLN A 52 45.629 -1.190 -1.470 1.00 0.00 O ATOM 832 CB GLN A 52 43.506 -3.333 -2.191 1.00 0.00 C ATOM 833 CG GLN A 52 42.126 -3.929 -2.474 1.00 0.00 C ATOM 834 CD GLN A 52 42.168 -5.443 -2.256 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.500 -5.905 -1.183 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.842 -6.240 -3.238 1.00 0.00 N ATOM 0 H GLN A 52 44.459 -1.527 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 52 42.429 -1.526 -1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.191 -3.573 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.923 -3.770 -1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.382 -3.477 -1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.825 -3.707 -3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.563 -5.852 -4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.866 -7.251 -3.104 1.00 0.00 H new ATOM 845 N GLU A 53 44.112 -0.939 0.110 1.00 0.00 N ATOM 846 CA GLU A 53 45.119 -0.411 1.079 1.00 0.00 C ATOM 847 C GLU A 53 45.484 -1.492 2.096 1.00 0.00 C ATOM 848 O GLU A 53 44.692 -2.370 2.388 1.00 0.00 O ATOM 849 CB GLU A 53 44.423 0.762 1.771 1.00 0.00 C ATOM 850 CG GLU A 53 45.428 1.504 2.653 1.00 0.00 C ATOM 851 CD GLU A 53 44.707 2.603 3.436 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.923 3.316 2.831 1.00 0.00 O ATOM 853 OE2 GLU A 53 44.952 2.714 4.626 1.00 0.00 O ATOM 0 H GLU A 53 43.159 -0.999 0.468 1.00 0.00 H new ATOM 0 HA GLU A 53 46.045 -0.106 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.005 1.441 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 53 43.591 0.400 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.908 0.808 3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 53 46.216 1.938 2.038 1.00 0.00 H new ATOM 860 N GLY A 54 46.676 -1.438 2.637 1.00 0.00 N ATOM 861 CA GLY A 54 47.090 -2.465 3.636 1.00 0.00 C ATOM 862 C GLY A 54 48.365 -1.997 4.327 1.00 0.00 C ATOM 863 O GLY A 54 48.645 -0.816 4.373 1.00 0.00 O ATOM 0 H GLY A 54 47.378 -0.727 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.298 -2.618 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.258 -3.423 3.144 1.00 0.00 H new ATOM 867 N TYR A 55 49.140 -2.906 4.864 1.00 0.00 N ATOM 868 CA TYR A 55 50.395 -2.488 5.550 1.00 0.00 C ATOM 869 C TYR A 55 51.621 -2.778 4.678 1.00 0.00 C ATOM 870 O TYR A 55 51.639 -3.705 3.892 1.00 0.00 O ATOM 871 CB TYR A 55 50.442 -3.286 6.854 1.00 0.00 C ATOM 872 CG TYR A 55 49.754 -2.504 7.947 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.434 -1.472 8.603 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.436 -2.813 8.304 1.00 0.00 C ATOM 875 CE1 TYR A 55 49.796 -0.747 9.616 1.00 0.00 C ATOM 876 CE2 TYR A 55 47.798 -2.088 9.317 1.00 0.00 C ATOM 877 CZ TYR A 55 48.478 -1.055 9.973 1.00 0.00 C ATOM 878 OH TYR A 55 47.849 -0.340 10.972 1.00 0.00 O ATOM 0 H TYR A 55 48.958 -3.910 4.856 1.00 0.00 H new ATOM 0 HA TYR A 55 50.407 -1.415 5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 55 49.954 -4.251 6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.476 -3.488 7.132 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.451 -1.235 8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 55 47.912 -3.610 7.798 1.00 0.00 H new ATOM 0 HE1 TYR A 55 50.320 0.050 10.122 1.00 0.00 H new ATOM 0 HE2 TYR A 55 46.781 -2.325 9.593 1.00 0.00 H new ATOM 0 HH TYR A 55 46.938 -0.681 11.094 1.00 0.00 H new ATOM 888 N ILE A 56 52.633 -1.958 4.802 1.00 0.00 N ATOM 889 CA ILE A 56 53.868 -2.125 3.976 1.00 0.00 C ATOM 890 C ILE A 56 55.115 -1.723 4.805 1.00 0.00 C ATOM 891 O ILE A 56 55.318 -0.547 5.035 1.00 0.00 O ATOM 892 CB ILE A 56 53.654 -1.132 2.823 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.503 -1.623 1.944 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.919 -0.996 1.975 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.200 -0.961 2.386 1.00 0.00 C ATOM 0 H ILE A 56 52.657 -1.170 5.449 1.00 0.00 H new ATOM 0 HA ILE A 56 54.030 -3.148 3.637 1.00 0.00 H new ATOM 0 HB ILE A 56 53.416 -0.155 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.705 -1.389 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.414 -2.707 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.740 -0.288 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.738 -0.636 2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.182 -1.967 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.382 -1.313 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 56 50.996 -1.218 3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.291 0.121 2.291 1.00 0.00 H new ATOM 907 N PRO A 57 55.932 -2.683 5.222 1.00 0.00 N ATOM 908 CA PRO A 57 57.151 -2.336 6.002 1.00 0.00 C ATOM 909 C PRO A 57 58.038 -1.376 5.195 1.00 0.00 C ATOM 910 O PRO A 57 58.306 -1.598 4.030 1.00 0.00 O ATOM 911 CB PRO A 57 57.829 -3.697 6.197 1.00 0.00 C ATOM 912 CG PRO A 57 56.968 -4.781 5.524 1.00 0.00 C ATOM 913 CD PRO A 57 55.703 -4.127 4.956 1.00 0.00 C ATOM 0 HA PRO A 57 56.946 -1.829 6.945 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.829 -3.686 5.763 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.945 -3.912 7.259 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.530 -5.269 4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.702 -5.553 6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.586 -4.329 3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.802 -4.492 5.450 1.00 0.00 H new ATOM 921 N SER A 58 58.474 -0.302 5.803 1.00 0.00 N ATOM 922 CA SER A 58 59.326 0.697 5.078 1.00 0.00 C ATOM 923 C SER A 58 60.554 0.032 4.444 1.00 0.00 C ATOM 924 O SER A 58 61.020 0.449 3.399 1.00 0.00 O ATOM 925 CB SER A 58 59.762 1.702 6.145 1.00 0.00 C ATOM 926 OG SER A 58 60.701 2.608 5.581 1.00 0.00 O ATOM 0 H SER A 58 58.277 -0.070 6.777 1.00 0.00 H new ATOM 0 HA SER A 58 58.776 1.167 4.263 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.897 2.246 6.524 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.207 1.180 6.992 1.00 0.00 H new ATOM 0 HG SER A 58 60.334 2.987 4.755 1.00 0.00 H new ATOM 932 N ASN A 59 61.084 -0.986 5.069 1.00 0.00 N ATOM 933 CA ASN A 59 62.290 -1.670 4.507 1.00 0.00 C ATOM 934 C ASN A 59 61.906 -2.509 3.284 1.00 0.00 C ATOM 935 O ASN A 59 62.620 -2.564 2.300 1.00 0.00 O ATOM 936 CB ASN A 59 62.813 -2.547 5.657 1.00 0.00 C ATOM 937 CG ASN A 59 61.887 -3.744 5.917 1.00 0.00 C ATOM 938 OD1 ASN A 59 62.050 -4.793 5.328 1.00 0.00 O ATOM 939 ND2 ASN A 59 60.917 -3.626 6.783 1.00 0.00 N ATOM 0 H ASN A 59 60.735 -1.375 5.945 1.00 0.00 H new ATOM 0 HA ASN A 59 63.050 -0.969 4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.814 -2.905 5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.898 -1.948 6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 59 60.297 -4.415 6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.780 -2.745 7.278 1.00 0.00 H new ATOM 946 N TYR A 60 60.787 -3.169 3.359 1.00 0.00 N ATOM 947 CA TYR A 60 60.331 -4.030 2.224 1.00 0.00 C ATOM 948 C TYR A 60 60.114 -3.201 0.951 1.00 0.00 C ATOM 949 O TYR A 60 60.126 -3.732 -0.143 1.00 0.00 O ATOM 950 CB TYR A 60 59.011 -4.651 2.692 1.00 0.00 C ATOM 951 CG TYR A 60 59.245 -6.081 3.127 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.738 -6.350 4.409 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.968 -7.134 2.248 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.954 -7.673 4.813 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.185 -8.458 2.651 1.00 0.00 C ATOM 956 CZ TYR A 60 59.678 -8.727 3.933 1.00 0.00 C ATOM 957 OH TYR A 60 59.892 -10.031 4.330 1.00 0.00 O ATOM 0 H TYR A 60 60.160 -3.152 4.163 1.00 0.00 H new ATOM 0 HA TYR A 60 61.075 -4.787 1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.599 -4.072 3.519 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.278 -4.621 1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.952 -5.537 5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.587 -6.926 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.333 -7.881 5.803 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.972 -9.271 1.973 1.00 0.00 H new ATOM 0 HH TYR A 60 59.649 -10.639 3.601 1.00 0.00 H new ATOM 967 N VAL A 61 59.914 -1.910 1.078 1.00 0.00 N ATOM 968 CA VAL A 61 59.696 -1.066 -0.143 1.00 0.00 C ATOM 969 C VAL A 61 60.655 0.123 -0.171 1.00 0.00 C ATOM 970 O VAL A 61 61.174 0.547 0.845 1.00 0.00 O ATOM 971 CB VAL A 61 58.252 -0.561 -0.064 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.289 -1.745 -0.161 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.024 0.174 1.262 1.00 0.00 C ATOM 0 H VAL A 61 59.892 -1.407 1.965 1.00 0.00 H new ATOM 0 HA VAL A 61 59.877 -1.648 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 61 58.071 0.127 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.262 -1.384 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.441 -2.261 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.477 -2.435 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 61 56.995 0.529 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.211 -0.507 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.704 1.023 1.329 1.00 0.00 H new ATOM 983 N THR A 62 60.869 0.674 -1.336 1.00 0.00 N ATOM 984 CA THR A 62 61.766 1.857 -1.467 1.00 0.00 C ATOM 985 C THR A 62 61.050 2.927 -2.298 1.00 0.00 C ATOM 986 O THR A 62 59.843 3.009 -2.282 1.00 0.00 O ATOM 987 CB THR A 62 63.028 1.338 -2.174 1.00 0.00 C ATOM 988 OG1 THR A 62 63.942 2.413 -2.346 1.00 0.00 O ATOM 989 CG2 THR A 62 62.671 0.752 -3.545 1.00 0.00 C ATOM 0 H THR A 62 60.456 0.351 -2.211 1.00 0.00 H new ATOM 0 HA THR A 62 62.025 2.310 -0.510 1.00 0.00 H new ATOM 0 HB THR A 62 63.480 0.556 -1.564 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.197 2.478 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.576 0.389 -4.032 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.972 -0.074 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.211 1.524 -4.162 1.00 0.00 H new ATOM 997 N GLU A 63 61.771 3.739 -3.022 1.00 0.00 N ATOM 998 CA GLU A 63 61.110 4.792 -3.851 1.00 0.00 C ATOM 999 C GLU A 63 60.520 4.172 -5.120 1.00 0.00 C ATOM 1000 O GLU A 63 61.102 3.290 -5.717 1.00 0.00 O ATOM 1001 CB GLU A 63 62.216 5.791 -4.198 1.00 0.00 C ATOM 1002 CG GLU A 63 62.250 6.902 -3.148 1.00 0.00 C ATOM 1003 CD GLU A 63 61.346 8.053 -3.593 1.00 0.00 C ATOM 1004 OE1 GLU A 63 60.150 7.835 -3.695 1.00 0.00 O ATOM 1005 OE2 GLU A 63 61.864 9.133 -3.823 1.00 0.00 O ATOM 0 H GLU A 63 62.789 3.720 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 63 60.288 5.274 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.180 5.283 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.040 6.216 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.918 6.516 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.271 7.259 -3.014 1.00 0.00 H new ATOM 1012 N ALA A 64 59.360 4.628 -5.528 1.00 0.00 N ATOM 1013 CA ALA A 64 58.702 4.068 -6.755 1.00 0.00 C ATOM 1014 C ALA A 64 59.678 4.033 -7.940 1.00 0.00 C ATOM 1015 O ALA A 64 59.902 3.000 -8.541 1.00 0.00 O ATOM 1016 CB ALA A 64 57.544 5.020 -7.054 1.00 0.00 C ATOM 0 H ALA A 64 58.836 5.369 -5.062 1.00 0.00 H new ATOM 0 HA ALA A 64 58.368 3.042 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.011 4.677 -7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.861 5.039 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.933 6.023 -7.229 1.00 0.00 H new