USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 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 -110:sc= -0.446 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -134:sc= -0.0039 (180deg=-0.105) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 23 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.033) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -149:sc= -1.93! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.5) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -1.19 F(o=-2,f=-1.2) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.158 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.748 7.476 -3.496 1.00 0.00 N ATOM 131 CA LYS A 10 54.727 6.012 -3.816 1.00 0.00 C ATOM 132 C LYS A 10 56.087 5.380 -3.494 1.00 0.00 C ATOM 133 O LYS A 10 57.005 6.051 -3.066 1.00 0.00 O ATOM 134 CB LYS A 10 54.405 5.903 -5.318 1.00 0.00 C ATOM 135 CG LYS A 10 55.260 6.875 -6.137 1.00 0.00 C ATOM 136 CD LYS A 10 54.481 8.173 -6.371 1.00 0.00 C ATOM 137 CE LYS A 10 55.440 9.365 -6.318 1.00 0.00 C ATOM 138 NZ LYS A 10 54.990 10.270 -7.411 1.00 0.00 N ATOM 0 HA LYS A 10 53.983 5.481 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.582 4.883 -5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.349 6.115 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.191 7.088 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.529 6.423 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.980 8.139 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 10 53.704 8.284 -5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 10 55.397 9.864 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 10 56.472 9.048 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 55.600 11.112 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 55.048 9.771 -8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 54.007 10.561 -7.238 1.00 0.00 H new ATOM 152 N VAL A 11 56.216 4.091 -3.698 1.00 0.00 N ATOM 153 CA VAL A 11 57.509 3.390 -3.403 1.00 0.00 C ATOM 154 C VAL A 11 57.579 2.087 -4.194 1.00 0.00 C ATOM 155 O VAL A 11 56.583 1.605 -4.692 1.00 0.00 O ATOM 156 CB VAL A 11 57.523 3.083 -1.892 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.844 4.356 -1.111 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.169 2.524 -1.437 1.00 0.00 C ATOM 0 H VAL A 11 55.476 3.489 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 11 58.362 4.009 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 11 58.289 2.332 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.853 4.135 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.822 4.731 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.086 5.111 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 11 56.202 2.315 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.387 3.256 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.954 1.604 -1.980 1.00 0.00 H new ATOM 168 N VAL A 12 58.744 1.509 -4.304 1.00 0.00 N ATOM 169 CA VAL A 12 58.883 0.230 -5.060 1.00 0.00 C ATOM 170 C VAL A 12 58.804 -0.945 -4.061 1.00 0.00 C ATOM 171 O VAL A 12 58.666 -0.744 -2.872 1.00 0.00 O ATOM 172 CB VAL A 12 60.276 0.366 -5.752 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.146 -0.897 -5.650 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.081 0.682 -7.230 1.00 0.00 C ATOM 0 H VAL A 12 59.609 1.868 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 12 58.105 0.039 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 12 60.795 1.167 -5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.097 -0.725 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.328 -1.130 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.631 -1.733 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.053 0.777 -7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.518 -0.123 -7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.532 1.618 -7.333 1.00 0.00 H new ATOM 184 N ALA A 13 58.912 -2.159 -4.539 1.00 0.00 N ATOM 185 CA ALA A 13 58.872 -3.342 -3.630 1.00 0.00 C ATOM 186 C ALA A 13 60.183 -4.126 -3.739 1.00 0.00 C ATOM 187 O ALA A 13 60.731 -4.280 -4.814 1.00 0.00 O ATOM 188 CB ALA A 13 57.710 -4.188 -4.136 1.00 0.00 C ATOM 0 H ALA A 13 59.027 -2.382 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 13 58.748 -3.059 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.614 -5.081 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.788 -3.609 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.896 -4.481 -5.169 1.00 0.00 H new ATOM 194 N LEU A 14 60.690 -4.619 -2.637 1.00 0.00 N ATOM 195 CA LEU A 14 61.968 -5.393 -2.678 1.00 0.00 C ATOM 196 C LEU A 14 61.695 -6.886 -2.468 1.00 0.00 C ATOM 197 O LEU A 14 62.438 -7.731 -2.930 1.00 0.00 O ATOM 198 CB LEU A 14 62.813 -4.837 -1.530 1.00 0.00 C ATOM 199 CG LEU A 14 63.083 -3.350 -1.768 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.742 -2.744 -0.528 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.017 -3.189 -2.970 1.00 0.00 C ATOM 0 H LEU A 14 60.274 -4.519 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 14 62.473 -5.295 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.294 -4.976 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.755 -5.382 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 14 62.141 -2.838 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.934 -1.685 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.079 -2.859 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.684 -3.256 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.211 -2.130 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.958 -3.702 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.549 -3.620 -3.855 1.00 0.00 H new ATOM 213 N TYR A 15 60.634 -7.213 -1.774 1.00 0.00 N ATOM 214 CA TYR A 15 60.305 -8.650 -1.530 1.00 0.00 C ATOM 215 C TYR A 15 58.788 -8.857 -1.538 1.00 0.00 C ATOM 216 O TYR A 15 58.025 -7.919 -1.675 1.00 0.00 O ATOM 217 CB TYR A 15 60.883 -8.958 -0.150 1.00 0.00 C ATOM 218 CG TYR A 15 62.389 -8.863 -0.201 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.131 -9.848 -0.865 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.044 -7.789 0.413 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.527 -9.759 -0.913 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.440 -7.699 0.364 1.00 0.00 C ATOM 223 CZ TYR A 15 65.182 -8.684 -0.298 1.00 0.00 C ATOM 224 OH TYR A 15 66.558 -8.597 -0.345 1.00 0.00 O ATOM 0 H TYR A 15 59.980 -6.545 -1.365 1.00 0.00 H new ATOM 0 HA TYR A 15 60.716 -9.304 -2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.489 -8.257 0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.582 -9.956 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.626 -10.676 -1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.472 -7.029 0.925 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.099 -10.519 -1.424 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.945 -6.870 0.837 1.00 0.00 H new ATOM 0 HH TYR A 15 66.851 -7.791 0.129 1.00 0.00 H new ATOM 234 N ASP A 16 58.350 -10.082 -1.394 1.00 0.00 N ATOM 235 CA ASP A 16 56.883 -10.366 -1.394 1.00 0.00 C ATOM 236 C ASP A 16 56.311 -10.237 0.020 1.00 0.00 C ATOM 237 O ASP A 16 57.025 -10.326 1.001 1.00 0.00 O ATOM 238 CB ASP A 16 56.760 -11.808 -1.892 1.00 0.00 C ATOM 239 CG ASP A 16 56.626 -11.815 -3.415 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.235 -10.968 -4.048 1.00 0.00 O ATOM 241 OD2 ASP A 16 55.915 -12.666 -3.924 1.00 0.00 O ATOM 0 H ASP A 16 58.947 -10.900 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 16 56.330 -9.666 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.636 -12.383 -1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.893 -12.287 -1.438 1.00 0.00 H new ATOM 246 N TYR A 17 55.023 -10.022 0.129 1.00 0.00 N ATOM 247 CA TYR A 17 54.383 -9.881 1.473 1.00 0.00 C ATOM 248 C TYR A 17 52.855 -9.929 1.318 1.00 0.00 C ATOM 249 O TYR A 17 52.176 -8.928 1.444 1.00 0.00 O ATOM 250 CB TYR A 17 54.869 -8.511 1.988 1.00 0.00 C ATOM 251 CG TYR A 17 54.089 -8.069 3.214 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.816 -8.974 4.249 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.643 -6.745 3.309 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.097 -8.552 5.375 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.926 -6.325 4.434 1.00 0.00 C ATOM 256 CZ TYR A 17 52.652 -7.229 5.467 1.00 0.00 C ATOM 257 OH TYR A 17 51.945 -6.815 6.576 1.00 0.00 O ATOM 0 H TYR A 17 54.384 -9.938 -0.661 1.00 0.00 H new ATOM 0 HA TYR A 17 54.646 -10.678 2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 17 55.930 -8.568 2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.763 -7.766 1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.160 -9.995 4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.853 -6.047 2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 17 52.886 -9.249 6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.584 -5.303 4.506 1.00 0.00 H new ATOM 0 HH TYR A 17 51.012 -6.650 6.326 1.00 0.00 H new ATOM 267 N MET A 18 52.320 -11.092 1.042 1.00 0.00 N ATOM 268 CA MET A 18 50.838 -11.225 0.872 1.00 0.00 C ATOM 269 C MET A 18 50.113 -10.913 2.194 1.00 0.00 C ATOM 270 O MET A 18 50.726 -10.932 3.242 1.00 0.00 O ATOM 271 CB MET A 18 50.602 -12.682 0.454 1.00 0.00 C ATOM 272 CG MET A 18 51.156 -13.631 1.524 1.00 0.00 C ATOM 273 SD MET A 18 50.431 -15.274 1.304 1.00 0.00 S ATOM 274 CE MET A 18 51.982 -16.206 1.288 1.00 0.00 C ATOM 0 H MET A 18 52.846 -11.958 0.927 1.00 0.00 H new ATOM 0 HA MET A 18 50.451 -10.527 0.130 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.536 -12.861 0.314 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.086 -12.877 -0.503 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.242 -13.688 1.449 1.00 0.00 H new ATOM 0 HG3 MET A 18 50.925 -13.250 2.519 1.00 0.00 H new ATOM 0 HE1 MET A 18 51.768 -17.267 1.160 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.606 -15.860 0.464 1.00 0.00 H new ATOM 0 HE3 MET A 18 52.508 -16.053 2.230 1.00 0.00 H new ATOM 284 N PRO A 19 48.823 -10.624 2.114 1.00 0.00 N ATOM 285 CA PRO A 19 48.046 -10.302 3.334 1.00 0.00 C ATOM 286 C PRO A 19 47.893 -11.541 4.223 1.00 0.00 C ATOM 287 O PRO A 19 48.109 -12.657 3.792 1.00 0.00 O ATOM 288 CB PRO A 19 46.691 -9.862 2.765 1.00 0.00 C ATOM 289 CG PRO A 19 46.748 -9.956 1.228 1.00 0.00 C ATOM 290 CD PRO A 19 48.077 -10.596 0.826 1.00 0.00 C ATOM 0 HA PRO A 19 48.516 -9.546 3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 19 45.894 -10.496 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.465 -8.841 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 19 45.914 -10.550 0.854 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.657 -8.964 0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 19 47.938 -11.596 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.597 -10.010 0.068 1.00 0.00 H new ATOM 298 N MET A 20 47.509 -11.344 5.458 1.00 0.00 N ATOM 299 CA MET A 20 47.324 -12.498 6.389 1.00 0.00 C ATOM 300 C MET A 20 45.864 -12.555 6.838 1.00 0.00 C ATOM 301 O MET A 20 45.238 -13.599 6.828 1.00 0.00 O ATOM 302 CB MET A 20 48.237 -12.207 7.583 1.00 0.00 C ATOM 303 CG MET A 20 49.685 -12.072 7.104 1.00 0.00 C ATOM 304 SD MET A 20 50.812 -12.678 8.386 1.00 0.00 S ATOM 305 CE MET A 20 50.616 -14.444 8.044 1.00 0.00 C ATOM 0 H MET A 20 47.315 -10.429 5.864 1.00 0.00 H new ATOM 0 HA MET A 20 47.567 -13.453 5.924 1.00 0.00 H new ATOM 0 HB2 MET A 20 47.921 -11.290 8.080 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.160 -13.010 8.316 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.828 -12.638 6.184 1.00 0.00 H new ATOM 0 HG3 MET A 20 49.907 -11.030 6.875 1.00 0.00 H new ATOM 0 HE1 MET A 20 50.472 -14.982 8.981 1.00 0.00 H new ATOM 0 HE2 MET A 20 49.749 -14.596 7.401 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.509 -14.819 7.544 1.00 0.00 H new ATOM 315 N ASN A 21 45.322 -11.431 7.225 1.00 0.00 N ATOM 316 CA ASN A 21 43.900 -11.389 7.673 1.00 0.00 C ATOM 317 C ASN A 21 43.119 -10.378 6.833 1.00 0.00 C ATOM 318 O ASN A 21 42.140 -10.710 6.191 1.00 0.00 O ATOM 319 CB ASN A 21 43.956 -10.945 9.135 1.00 0.00 C ATOM 320 CG ASN A 21 42.741 -11.497 9.883 1.00 0.00 C ATOM 321 OD1 ASN A 21 42.577 -12.695 9.999 1.00 0.00 O ATOM 322 ND2 ASN A 21 41.877 -10.668 10.401 1.00 0.00 N ATOM 0 H ASN A 21 45.807 -10.534 7.250 1.00 0.00 H new ATOM 0 HA ASN A 21 43.401 -12.351 7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.875 -11.302 9.599 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.970 -9.857 9.195 1.00 0.00 H new ATOM 0 HD21 ASN A 21 41.064 -11.026 10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.014 -9.662 10.304 1.00 0.00 H new ATOM 329 N ALA A 22 43.552 -9.145 6.834 1.00 0.00 N ATOM 330 CA ALA A 22 42.851 -8.091 6.037 1.00 0.00 C ATOM 331 C ALA A 22 43.683 -6.809 6.010 1.00 0.00 C ATOM 332 O ALA A 22 43.797 -6.151 4.994 1.00 0.00 O ATOM 333 CB ALA A 22 41.528 -7.848 6.765 1.00 0.00 C ATOM 0 H ALA A 22 44.366 -8.819 7.355 1.00 0.00 H new ATOM 0 HA ALA A 22 42.697 -8.397 5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.957 -7.084 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 22 40.954 -8.774 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.729 -7.512 7.782 1.00 0.00 H new ATOM 339 N ASN A 23 44.258 -6.454 7.127 1.00 0.00 N ATOM 340 CA ASN A 23 45.086 -5.209 7.190 1.00 0.00 C ATOM 341 C ASN A 23 46.250 -5.277 6.220 1.00 0.00 C ATOM 342 O ASN A 23 46.442 -4.406 5.393 1.00 0.00 O ATOM 343 CB ASN A 23 45.647 -5.156 8.603 1.00 0.00 C ATOM 344 CG ASN A 23 44.706 -4.364 9.512 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.371 -4.809 10.592 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.261 -3.200 9.124 1.00 0.00 N ATOM 0 H ASN A 23 44.191 -6.972 8.003 1.00 0.00 H new ATOM 0 HA ASN A 23 44.483 -4.338 6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.774 -6.167 8.990 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.633 -4.692 8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.634 -2.667 9.727 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.540 -2.823 8.218 1.00 0.00 H new ATOM 353 N ASP A 24 47.056 -6.293 6.360 1.00 0.00 N ATOM 354 CA ASP A 24 48.265 -6.434 5.499 1.00 0.00 C ATOM 355 C ASP A 24 47.934 -6.219 4.015 1.00 0.00 C ATOM 356 O ASP A 24 46.931 -6.693 3.517 1.00 0.00 O ATOM 357 CB ASP A 24 48.764 -7.859 5.740 1.00 0.00 C ATOM 358 CG ASP A 24 49.229 -8.002 7.191 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.747 -7.034 7.726 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.062 -9.076 7.743 1.00 0.00 O ATOM 0 H ASP A 24 46.927 -7.040 7.042 1.00 0.00 H new ATOM 0 HA ASP A 24 49.017 -5.685 5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 24 47.968 -8.574 5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.585 -8.087 5.060 1.00 0.00 H new ATOM 365 N LEU A 25 48.774 -5.499 3.316 1.00 0.00 N ATOM 366 CA LEU A 25 48.522 -5.235 1.870 1.00 0.00 C ATOM 367 C LEU A 25 49.221 -6.295 1.013 1.00 0.00 C ATOM 368 O LEU A 25 50.238 -6.842 1.399 1.00 0.00 O ATOM 369 CB LEU A 25 49.118 -3.846 1.614 1.00 0.00 C ATOM 370 CG LEU A 25 48.752 -3.385 0.199 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.322 -2.835 0.188 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.718 -2.286 -0.252 1.00 0.00 C ATOM 0 H LEU A 25 49.627 -5.081 3.688 1.00 0.00 H new ATOM 0 HA LEU A 25 47.463 -5.274 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.740 -3.135 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.201 -3.877 1.729 1.00 0.00 H new ATOM 0 HG LEU A 25 48.822 -4.234 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.066 -2.508 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.630 -3.615 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.252 -1.989 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.455 -1.961 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.651 -1.440 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.737 -2.674 -0.251 1.00 0.00 H new ATOM 384 N GLN A 26 48.683 -6.587 -0.143 1.00 0.00 N ATOM 385 CA GLN A 26 49.312 -7.613 -1.030 1.00 0.00 C ATOM 386 C GLN A 26 50.448 -6.984 -1.836 1.00 0.00 C ATOM 387 O GLN A 26 50.238 -6.443 -2.905 1.00 0.00 O ATOM 388 CB GLN A 26 48.190 -8.083 -1.957 1.00 0.00 C ATOM 389 CG GLN A 26 48.518 -9.479 -2.489 1.00 0.00 C ATOM 390 CD GLN A 26 47.946 -9.635 -3.900 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.760 -9.843 -4.068 1.00 0.00 O ATOM 392 NE2 GLN A 26 48.744 -9.542 -4.928 1.00 0.00 N ATOM 0 H GLN A 26 47.834 -6.159 -0.512 1.00 0.00 H new ATOM 0 HA GLN A 26 49.742 -8.440 -0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.243 -8.101 -1.418 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.072 -7.385 -2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.597 -9.630 -2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.099 -10.239 -1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 26 49.739 -9.367 -4.787 1.00 0.00 H new ATOM 0 HE22 GLN A 26 48.373 -9.644 -5.873 1.00 0.00 H new ATOM 401 N LEU A 27 51.648 -7.048 -1.323 1.00 0.00 N ATOM 402 CA LEU A 27 52.810 -6.453 -2.039 1.00 0.00 C ATOM 403 C LEU A 27 53.469 -7.490 -2.956 1.00 0.00 C ATOM 404 O LEU A 27 53.032 -8.619 -3.055 1.00 0.00 O ATOM 405 CB LEU A 27 53.765 -6.024 -0.928 1.00 0.00 C ATOM 406 CG LEU A 27 53.255 -4.735 -0.288 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.252 -5.079 0.818 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.433 -3.960 0.309 1.00 0.00 C ATOM 0 H LEU A 27 51.873 -7.491 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 27 52.522 -5.619 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.842 -6.810 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.765 -5.871 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 27 52.765 -4.121 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 27 51.887 -4.160 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.414 -5.630 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.741 -5.692 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.069 -3.040 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 27 54.924 -4.571 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.145 -3.717 -0.479 1.00 0.00 H new ATOM 420 N ARG A 28 54.521 -7.100 -3.624 1.00 0.00 N ATOM 421 CA ARG A 28 55.240 -8.030 -4.545 1.00 0.00 C ATOM 422 C ARG A 28 56.549 -7.379 -4.999 1.00 0.00 C ATOM 423 O ARG A 28 56.555 -6.266 -5.487 1.00 0.00 O ATOM 424 CB ARG A 28 54.299 -8.229 -5.734 1.00 0.00 C ATOM 425 CG ARG A 28 54.826 -9.359 -6.620 1.00 0.00 C ATOM 426 CD ARG A 28 54.349 -9.145 -8.059 1.00 0.00 C ATOM 427 NE ARG A 28 55.266 -9.970 -8.894 1.00 0.00 N ATOM 428 CZ ARG A 28 54.866 -10.419 -10.052 1.00 0.00 C ATOM 429 NH1 ARG A 28 54.867 -9.631 -11.093 1.00 0.00 N ATOM 430 NH2 ARG A 28 54.464 -11.655 -10.170 1.00 0.00 N ATOM 0 H ARG A 28 54.919 -6.162 -3.570 1.00 0.00 H new ATOM 0 HA ARG A 28 55.490 -8.980 -4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.296 -8.467 -5.381 1.00 0.00 H new ATOM 0 HB3 ARG A 28 54.224 -7.307 -6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.915 -9.384 -6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.474 -10.321 -6.248 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.313 -9.459 -8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.399 -8.093 -8.339 1.00 0.00 H new ATOM 0 HE ARG A 28 56.206 -10.184 -8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 28 55.180 -8.665 -11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 28 54.554 -9.982 -11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 28 54.462 -12.271 -9.357 1.00 0.00 H new ATOM 0 HH22 ARG A 28 54.151 -12.005 -11.075 1.00 0.00 H new ATOM 444 N LYS A 29 57.657 -8.055 -4.824 1.00 0.00 N ATOM 445 CA LYS A 29 58.979 -7.467 -5.220 1.00 0.00 C ATOM 446 C LYS A 29 58.969 -6.969 -6.673 1.00 0.00 C ATOM 447 O LYS A 29 58.434 -7.605 -7.561 1.00 0.00 O ATOM 448 CB LYS A 29 60.001 -8.599 -5.022 1.00 0.00 C ATOM 449 CG LYS A 29 59.777 -9.703 -6.061 1.00 0.00 C ATOM 450 CD LYS A 29 60.074 -11.068 -5.436 1.00 0.00 C ATOM 451 CE LYS A 29 60.698 -11.988 -6.488 1.00 0.00 C ATOM 452 NZ LYS A 29 59.548 -12.718 -7.090 1.00 0.00 N ATOM 0 H LYS A 29 57.706 -8.992 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 29 59.222 -6.592 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 29 61.013 -8.205 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.908 -9.011 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 29 58.749 -9.673 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.422 -9.539 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.752 -10.953 -4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 29 59.156 -11.510 -5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.241 -11.416 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.411 -12.678 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 59.895 -13.370 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 59.055 -13.258 -6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 58.890 -12.036 -7.518 1.00 0.00 H new ATOM 466 N GLY A 30 59.561 -5.826 -6.904 1.00 0.00 N ATOM 467 CA GLY A 30 59.606 -5.248 -8.279 1.00 0.00 C ATOM 468 C GLY A 30 58.406 -4.324 -8.499 1.00 0.00 C ATOM 469 O GLY A 30 58.493 -3.351 -9.225 1.00 0.00 O ATOM 0 H GLY A 30 60.021 -5.262 -6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.533 -4.692 -8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.599 -6.048 -9.019 1.00 0.00 H new ATOM 473 N ASP A 31 57.290 -4.614 -7.877 1.00 0.00 N ATOM 474 CA ASP A 31 56.091 -3.750 -8.047 1.00 0.00 C ATOM 475 C ASP A 31 56.205 -2.532 -7.133 1.00 0.00 C ATOM 476 O ASP A 31 56.950 -2.541 -6.175 1.00 0.00 O ATOM 477 CB ASP A 31 54.903 -4.623 -7.640 1.00 0.00 C ATOM 478 CG ASP A 31 53.624 -4.072 -8.275 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.125 -3.074 -7.785 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.166 -4.661 -9.240 1.00 0.00 O ATOM 0 H ASP A 31 57.162 -5.415 -7.258 1.00 0.00 H new ATOM 0 HA ASP A 31 55.983 -3.381 -9.067 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.067 -5.652 -7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.805 -4.639 -6.555 1.00 0.00 H new ATOM 485 N GLU A 32 55.476 -1.488 -7.418 1.00 0.00 N ATOM 486 CA GLU A 32 55.546 -0.269 -6.556 1.00 0.00 C ATOM 487 C GLU A 32 54.158 0.013 -5.985 1.00 0.00 C ATOM 488 O GLU A 32 53.182 -0.581 -6.408 1.00 0.00 O ATOM 489 CB GLU A 32 56.020 0.875 -7.468 1.00 0.00 C ATOM 490 CG GLU A 32 57.237 0.444 -8.297 1.00 0.00 C ATOM 491 CD GLU A 32 56.765 -0.208 -9.599 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.362 0.520 -10.491 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.815 -1.424 -9.682 1.00 0.00 O ATOM 0 H GLU A 32 54.835 -1.424 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 32 56.230 -0.388 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.210 1.175 -8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.276 1.745 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.864 1.308 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.848 -0.257 -7.728 1.00 0.00 H new ATOM 500 N TYR A 33 54.057 0.875 -5.003 1.00 0.00 N ATOM 501 CA TYR A 33 52.724 1.141 -4.387 1.00 0.00 C ATOM 502 C TYR A 33 52.459 2.637 -4.241 1.00 0.00 C ATOM 503 O TYR A 33 53.205 3.469 -4.716 1.00 0.00 O ATOM 504 CB TYR A 33 52.791 0.516 -2.989 1.00 0.00 C ATOM 505 CG TYR A 33 53.416 -0.862 -3.031 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.676 -1.957 -3.485 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.743 -1.032 -2.619 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.262 -3.226 -3.528 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.328 -2.299 -2.661 1.00 0.00 C ATOM 510 CZ TYR A 33 54.588 -3.399 -3.115 1.00 0.00 C ATOM 511 OH TYR A 33 55.167 -4.651 -3.162 1.00 0.00 O ATOM 0 H TYR A 33 54.835 1.401 -4.605 1.00 0.00 H new ATOM 0 HA TYR A 33 51.928 0.730 -5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.371 1.160 -2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.787 0.450 -2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.652 -1.823 -3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.313 -0.184 -2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.691 -4.073 -3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.352 -2.431 -2.343 1.00 0.00 H new ATOM 0 HH TYR A 33 55.830 -4.732 -2.445 1.00 0.00 H new ATOM 521 N PHE A 34 51.401 2.967 -3.550 1.00 0.00 N ATOM 522 CA PHE A 34 51.052 4.397 -3.312 1.00 0.00 C ATOM 523 C PHE A 34 51.077 4.666 -1.809 1.00 0.00 C ATOM 524 O PHE A 34 50.430 3.981 -1.041 1.00 0.00 O ATOM 525 CB PHE A 34 49.639 4.568 -3.860 1.00 0.00 C ATOM 526 CG PHE A 34 49.704 4.971 -5.314 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.130 4.049 -6.277 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.340 6.267 -5.697 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.190 4.423 -7.625 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.400 6.640 -7.045 1.00 0.00 C ATOM 531 CZ PHE A 34 49.826 5.719 -8.009 1.00 0.00 C ATOM 0 H PHE A 34 50.755 2.296 -3.135 1.00 0.00 H new ATOM 0 HA PHE A 34 51.747 5.087 -3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.082 3.637 -3.755 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.105 5.325 -3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.412 3.050 -5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.013 6.979 -4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.517 3.711 -8.369 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.117 7.639 -7.341 1.00 0.00 H new ATOM 0 HZ PHE A 34 49.874 6.008 -9.049 1.00 0.00 H new ATOM 541 N ILE A 35 51.838 5.637 -1.383 1.00 0.00 N ATOM 542 CA ILE A 35 51.936 5.924 0.080 1.00 0.00 C ATOM 543 C ILE A 35 50.926 6.976 0.527 1.00 0.00 C ATOM 544 O ILE A 35 50.561 7.872 -0.210 1.00 0.00 O ATOM 545 CB ILE A 35 53.371 6.428 0.291 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.377 5.362 -0.172 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.606 6.732 1.776 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.135 4.046 0.575 1.00 0.00 C ATOM 0 H ILE A 35 52.396 6.244 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 35 51.713 5.035 0.671 1.00 0.00 H new ATOM 0 HB ILE A 35 53.511 7.337 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.280 5.202 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.394 5.709 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.626 7.089 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.904 7.498 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.455 5.825 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.854 3.299 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.255 4.208 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.124 3.693 0.373 1.00 0.00 H new ATOM 560 N LEU A 36 50.494 6.867 1.756 1.00 0.00 N ATOM 561 CA LEU A 36 49.524 7.844 2.312 1.00 0.00 C ATOM 562 C LEU A 36 50.161 8.577 3.493 1.00 0.00 C ATOM 563 O LEU A 36 49.949 9.759 3.683 1.00 0.00 O ATOM 564 CB LEU A 36 48.330 7.011 2.774 1.00 0.00 C ATOM 565 CG LEU A 36 47.387 6.769 1.594 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.800 5.490 0.864 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.953 6.621 2.110 1.00 0.00 C ATOM 0 H LEU A 36 50.778 6.131 2.403 1.00 0.00 H new ATOM 0 HA LEU A 36 49.224 8.597 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.673 6.059 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.801 7.527 3.575 1.00 0.00 H new ATOM 0 HG LEU A 36 47.442 7.613 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.128 5.318 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.821 5.594 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.746 4.645 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.280 6.449 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.899 5.777 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.658 7.532 2.630 1.00 0.00 H new ATOM 579 N GLU A 37 50.947 7.884 4.290 1.00 0.00 N ATOM 580 CA GLU A 37 51.603 8.555 5.461 1.00 0.00 C ATOM 581 C GLU A 37 52.609 7.618 6.135 1.00 0.00 C ATOM 582 O GLU A 37 52.728 6.460 5.783 1.00 0.00 O ATOM 583 CB GLU A 37 50.464 8.886 6.429 1.00 0.00 C ATOM 584 CG GLU A 37 50.754 10.217 7.126 1.00 0.00 C ATOM 585 CD GLU A 37 49.493 10.705 7.841 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.418 10.523 7.294 1.00 0.00 O ATOM 587 OE2 GLU A 37 49.625 11.254 8.922 1.00 0.00 O ATOM 0 H GLU A 37 51.160 6.893 4.181 1.00 0.00 H new ATOM 0 HA GLU A 37 52.155 9.443 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.519 8.945 5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.359 8.092 7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.567 10.095 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 37 51.081 10.958 6.396 1.00 0.00 H new ATOM 653 N PRO A 42 58.596 1.767 10.268 1.00 0.00 N ATOM 654 CA PRO A 42 58.945 0.429 9.702 1.00 0.00 C ATOM 655 C PRO A 42 57.772 -0.146 8.888 1.00 0.00 C ATOM 656 O PRO A 42 57.960 -0.914 7.968 1.00 0.00 O ATOM 657 CB PRO A 42 59.227 -0.407 10.956 1.00 0.00 C ATOM 658 CG PRO A 42 59.041 0.488 12.196 1.00 0.00 C ATOM 659 CD PRO A 42 58.845 1.935 11.728 1.00 0.00 C ATOM 0 HA PRO A 42 59.787 0.453 9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.551 -1.261 11.001 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.241 -0.805 10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.179 0.158 12.776 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.911 0.416 12.849 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.005 2.415 12.231 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.725 2.548 11.922 1.00 0.00 H new ATOM 667 N TRP A 43 56.569 0.248 9.219 1.00 0.00 N ATOM 668 CA TRP A 43 55.368 -0.228 8.482 1.00 0.00 C ATOM 669 C TRP A 43 54.562 0.995 8.023 1.00 0.00 C ATOM 670 O TRP A 43 54.669 2.055 8.610 1.00 0.00 O ATOM 671 CB TRP A 43 54.587 -1.036 9.510 1.00 0.00 C ATOM 672 CG TRP A 43 55.335 -2.277 9.853 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.170 -2.384 10.897 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.330 -3.580 9.193 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.689 -3.666 10.934 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.200 -4.442 9.903 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.665 -4.094 8.063 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.403 -5.765 9.508 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.869 -5.424 7.664 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.734 -6.258 8.386 1.00 0.00 C ATOM 0 H TRP A 43 56.369 0.892 9.984 1.00 0.00 H new ATOM 0 HA TRP A 43 55.602 -0.822 7.599 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.424 -0.439 10.407 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.604 -1.291 9.114 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.401 -1.595 11.597 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.351 -3.997 11.636 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.994 -3.461 7.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.073 -6.403 10.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.356 -5.808 6.795 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.883 -7.281 8.075 1.00 0.00 H new ATOM 691 N TRP A 44 53.779 0.873 6.979 1.00 0.00 N ATOM 692 CA TRP A 44 53.000 2.053 6.491 1.00 0.00 C ATOM 693 C TRP A 44 51.548 1.693 6.191 1.00 0.00 C ATOM 694 O TRP A 44 51.090 0.600 6.453 1.00 0.00 O ATOM 695 CB TRP A 44 53.680 2.440 5.176 1.00 0.00 C ATOM 696 CG TRP A 44 54.778 3.444 5.368 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.103 4.095 6.513 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.692 3.925 4.353 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.173 4.937 6.255 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.570 4.866 4.932 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.835 3.626 2.993 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.563 5.494 4.177 1.00 0.00 C ATOM 703 CZ3 TRP A 44 56.824 4.250 2.228 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.690 5.185 2.816 1.00 0.00 C ATOM 0 H TRP A 44 53.646 0.013 6.447 1.00 0.00 H new ATOM 0 HA TRP A 44 52.986 2.845 7.240 1.00 0.00 H new ATOM 0 HB2 TRP A 44 54.089 1.546 4.706 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.935 2.848 4.492 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.610 3.977 7.467 1.00 0.00 H new ATOM 0 HE1 TRP A 44 56.613 5.535 6.954 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.175 2.907 2.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 58.227 6.211 4.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 56.922 4.012 1.179 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.453 5.665 2.221 1.00 0.00 H new ATOM 715 N ARG A 45 50.841 2.619 5.596 1.00 0.00 N ATOM 716 CA ARG A 45 49.429 2.376 5.202 1.00 0.00 C ATOM 717 C ARG A 45 49.293 2.825 3.747 1.00 0.00 C ATOM 718 O ARG A 45 48.714 3.852 3.450 1.00 0.00 O ATOM 719 CB ARG A 45 48.587 3.251 6.133 1.00 0.00 C ATOM 720 CG ARG A 45 47.106 3.096 5.780 1.00 0.00 C ATOM 721 CD ARG A 45 46.312 4.255 6.388 1.00 0.00 C ATOM 722 NE ARG A 45 45.029 3.647 6.840 1.00 0.00 N ATOM 723 CZ ARG A 45 44.319 4.235 7.764 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.854 4.510 8.922 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.073 4.547 7.530 1.00 0.00 N ATOM 0 H ARG A 45 51.193 3.548 5.364 1.00 0.00 H new ATOM 0 HA ARG A 45 49.114 1.335 5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.756 2.964 7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.887 4.295 6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.979 3.082 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.729 2.145 6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.850 4.708 7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.139 5.043 5.655 1.00 0.00 H new ATOM 0 HE ARG A 45 44.706 2.772 6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 45 45.827 4.265 9.105 1.00 0.00 H new ATOM 0 HH12 ARG A 45 44.299 4.970 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 45 42.655 4.331 6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 45 42.518 5.006 8.252 1.00 0.00 H new ATOM 739 N ALA A 46 49.872 2.076 2.846 1.00 0.00 N ATOM 740 CA ALA A 46 49.848 2.456 1.405 1.00 0.00 C ATOM 741 C ALA A 46 48.959 1.504 0.605 1.00 0.00 C ATOM 742 O ALA A 46 48.519 0.484 1.104 1.00 0.00 O ATOM 743 CB ALA A 46 51.316 2.335 0.967 1.00 0.00 C ATOM 0 H ALA A 46 50.366 1.207 3.051 1.00 0.00 H new ATOM 0 HA ALA A 46 49.441 3.454 1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.404 2.596 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.930 3.012 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.657 1.311 1.117 1.00 0.00 H new ATOM 749 N ARG A 47 48.695 1.830 -0.635 1.00 0.00 N ATOM 750 CA ARG A 47 47.837 0.947 -1.479 1.00 0.00 C ATOM 751 C ARG A 47 48.647 0.385 -2.645 1.00 0.00 C ATOM 752 O ARG A 47 49.671 0.924 -3.015 1.00 0.00 O ATOM 753 CB ARG A 47 46.721 1.842 -2.009 1.00 0.00 C ATOM 754 CG ARG A 47 45.776 2.224 -0.870 1.00 0.00 C ATOM 755 CD ARG A 47 45.292 3.664 -1.063 1.00 0.00 C ATOM 756 NE ARG A 47 44.230 3.575 -2.104 1.00 0.00 N ATOM 757 CZ ARG A 47 43.256 4.443 -2.116 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.512 5.710 -2.295 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.025 4.044 -1.950 1.00 0.00 N ATOM 0 H ARG A 47 49.038 2.671 -1.099 1.00 0.00 H new ATOM 0 HA ARG A 47 47.447 0.103 -0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.145 2.740 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.169 1.324 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.925 1.544 -0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.287 2.127 0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.900 4.077 -0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 47 46.106 4.315 -1.383 1.00 0.00 H new ATOM 0 HE ARG A 47 44.264 2.836 -2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.474 6.022 -2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.750 6.388 -2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.824 3.054 -1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.263 4.722 -1.959 1.00 0.00 H new ATOM 773 N ASP A 48 48.190 -0.691 -3.226 1.00 0.00 N ATOM 774 CA ASP A 48 48.922 -1.295 -4.372 1.00 0.00 C ATOM 775 C ASP A 48 48.237 -0.930 -5.694 1.00 0.00 C ATOM 776 O ASP A 48 47.486 0.024 -5.770 1.00 0.00 O ATOM 777 CB ASP A 48 48.863 -2.806 -4.116 1.00 0.00 C ATOM 778 CG ASP A 48 47.406 -3.299 -4.091 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.509 -2.470 -4.043 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.215 -4.504 -4.120 1.00 0.00 O ATOM 0 H ASP A 48 47.337 -1.179 -2.954 1.00 0.00 H new ATOM 0 HA ASP A 48 49.948 -0.937 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.417 -3.333 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.347 -3.038 -3.167 1.00 0.00 H new ATOM 785 N LYS A 49 48.496 -1.682 -6.733 1.00 0.00 N ATOM 786 CA LYS A 49 47.868 -1.386 -8.059 1.00 0.00 C ATOM 787 C LYS A 49 46.392 -1.814 -8.082 1.00 0.00 C ATOM 788 O LYS A 49 45.657 -1.458 -8.985 1.00 0.00 O ATOM 789 CB LYS A 49 48.680 -2.192 -9.079 1.00 0.00 C ATOM 790 CG LYS A 49 48.618 -3.689 -8.741 1.00 0.00 C ATOM 791 CD LYS A 49 48.420 -4.501 -10.024 1.00 0.00 C ATOM 792 CE LYS A 49 47.054 -4.170 -10.633 1.00 0.00 C ATOM 793 NZ LYS A 49 46.727 -5.336 -11.501 1.00 0.00 N ATOM 0 H LYS A 49 49.117 -2.491 -6.721 1.00 0.00 H new ATOM 0 HA LYS A 49 47.880 -0.318 -8.278 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.289 -2.022 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 49 49.716 -1.854 -9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.537 -3.997 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 49 47.799 -3.881 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 49 49.213 -4.273 -10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 49 48.484 -5.567 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 49 46.300 -4.031 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 49 47.093 -3.246 -11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 45.803 -5.183 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.459 -5.440 -12.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 46.690 -6.200 -10.923 1.00 0.00 H new ATOM 807 N ASN A 50 45.952 -2.576 -7.107 1.00 0.00 N ATOM 808 CA ASN A 50 44.531 -3.026 -7.085 1.00 0.00 C ATOM 809 C ASN A 50 43.635 -2.007 -6.363 1.00 0.00 C ATOM 810 O ASN A 50 42.507 -2.308 -6.018 1.00 0.00 O ATOM 811 CB ASN A 50 44.550 -4.351 -6.322 1.00 0.00 C ATOM 812 CG ASN A 50 45.018 -5.469 -7.255 1.00 0.00 C ATOM 813 OD1 ASN A 50 44.579 -5.559 -8.385 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.896 -6.334 -6.827 1.00 0.00 N ATOM 0 H ASN A 50 46.521 -2.904 -6.326 1.00 0.00 H new ATOM 0 HA ASN A 50 44.127 -3.130 -8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 50 45.215 -4.278 -5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.555 -4.576 -5.937 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.213 -7.085 -7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.265 -6.260 -5.879 1.00 0.00 H new ATOM 821 N GLY A 51 44.118 -0.807 -6.135 1.00 0.00 N ATOM 822 CA GLY A 51 43.287 0.221 -5.439 1.00 0.00 C ATOM 823 C GLY A 51 42.926 -0.270 -4.034 1.00 0.00 C ATOM 824 O GLY A 51 41.902 0.096 -3.486 1.00 0.00 O ATOM 0 H GLY A 51 45.053 -0.498 -6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.833 1.162 -5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.380 0.416 -6.010 1.00 0.00 H new ATOM 828 N GLN A 52 43.758 -1.094 -3.449 1.00 0.00 N ATOM 829 CA GLN A 52 43.470 -1.611 -2.078 1.00 0.00 C ATOM 830 C GLN A 52 44.535 -1.121 -1.096 1.00 0.00 C ATOM 831 O GLN A 52 45.720 -1.227 -1.351 1.00 0.00 O ATOM 832 CB GLN A 52 43.522 -3.133 -2.211 1.00 0.00 C ATOM 833 CG GLN A 52 42.129 -3.663 -2.560 1.00 0.00 C ATOM 834 CD GLN A 52 42.053 -5.154 -2.230 1.00 0.00 C ATOM 835 OE1 GLN A 52 41.474 -5.539 -1.234 1.00 0.00 O ATOM 836 NE2 GLN A 52 42.616 -6.017 -3.030 1.00 0.00 N ATOM 0 H GLN A 52 44.627 -1.432 -3.864 1.00 0.00 H new ATOM 0 HA GLN A 52 42.507 -1.268 -1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.235 -3.417 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.869 -3.578 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.370 -3.117 -2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.922 -3.503 -3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 52 43.102 -5.695 -3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 52 42.570 -7.014 -2.819 1.00 0.00 H new ATOM 845 N GLU A 53 44.121 -0.583 0.024 1.00 0.00 N ATOM 846 CA GLU A 53 45.106 -0.080 1.030 1.00 0.00 C ATOM 847 C GLU A 53 45.384 -1.152 2.082 1.00 0.00 C ATOM 848 O GLU A 53 44.544 -1.984 2.370 1.00 0.00 O ATOM 849 CB GLU A 53 44.433 1.134 1.671 1.00 0.00 C ATOM 850 CG GLU A 53 45.447 1.879 2.542 1.00 0.00 C ATOM 851 CD GLU A 53 45.401 1.325 3.967 1.00 0.00 C ATOM 852 OE1 GLU A 53 44.362 1.444 4.594 1.00 0.00 O ATOM 853 OE2 GLU A 53 46.406 0.790 4.405 1.00 0.00 O ATOM 0 H GLU A 53 43.142 -0.470 0.285 1.00 0.00 H new ATOM 0 HA GLU A 53 46.063 0.175 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.044 1.798 0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 53 43.583 0.815 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 53 46.449 1.766 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.223 2.946 2.548 1.00 0.00 H new ATOM 860 N GLY A 54 46.557 -1.131 2.663 1.00 0.00 N ATOM 861 CA GLY A 54 46.898 -2.143 3.704 1.00 0.00 C ATOM 862 C GLY A 54 48.224 -1.751 4.341 1.00 0.00 C ATOM 863 O GLY A 54 48.552 -0.584 4.414 1.00 0.00 O ATOM 0 H GLY A 54 47.293 -0.455 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.114 -2.189 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 54 46.970 -3.135 3.259 1.00 0.00 H new ATOM 867 N TYR A 55 48.993 -2.706 4.800 1.00 0.00 N ATOM 868 CA TYR A 55 50.297 -2.355 5.430 1.00 0.00 C ATOM 869 C TYR A 55 51.463 -2.636 4.477 1.00 0.00 C ATOM 870 O TYR A 55 51.441 -3.570 3.702 1.00 0.00 O ATOM 871 CB TYR A 55 50.399 -3.221 6.685 1.00 0.00 C ATOM 872 CG TYR A 55 49.552 -2.621 7.781 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.160 -2.562 7.637 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.156 -2.123 8.941 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.374 -2.005 8.653 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.371 -1.566 9.957 1.00 0.00 C ATOM 877 CZ TYR A 55 47.979 -1.507 9.813 1.00 0.00 C ATOM 878 OH TYR A 55 47.204 -0.959 10.814 1.00 0.00 O ATOM 0 H TYR A 55 48.776 -3.702 4.766 1.00 0.00 H new ATOM 0 HA TYR A 55 50.348 -1.293 5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.066 -4.236 6.468 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.437 -3.289 7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.693 -2.946 6.742 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.229 -2.169 9.052 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.301 -1.960 8.542 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.838 -1.182 10.852 1.00 0.00 H new ATOM 0 HH TYR A 55 47.781 -0.662 11.549 1.00 0.00 H new ATOM 888 N ILE A 56 52.476 -1.810 4.534 1.00 0.00 N ATOM 889 CA ILE A 56 53.666 -1.982 3.647 1.00 0.00 C ATOM 890 C ILE A 56 54.949 -1.702 4.468 1.00 0.00 C ATOM 891 O ILE A 56 55.225 -0.556 4.762 1.00 0.00 O ATOM 892 CB ILE A 56 53.477 -0.918 2.548 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.381 -1.374 1.585 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.769 -0.711 1.751 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.019 -0.916 2.100 1.00 0.00 C ATOM 0 H ILE A 56 52.530 -1.012 5.167 1.00 0.00 H new ATOM 0 HA ILE A 56 53.758 -2.985 3.229 1.00 0.00 H new ATOM 0 HB ILE A 56 53.203 0.021 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.562 -0.963 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.397 -2.460 1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.606 0.045 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.562 -0.381 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.060 -1.650 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.241 -1.243 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 56 50.838 -1.349 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.005 0.171 2.174 1.00 0.00 H new ATOM 907 N PRO A 57 55.710 -2.732 4.815 1.00 0.00 N ATOM 908 CA PRO A 57 56.954 -2.505 5.592 1.00 0.00 C ATOM 909 C PRO A 57 57.890 -1.550 4.835 1.00 0.00 C ATOM 910 O PRO A 57 58.295 -1.820 3.720 1.00 0.00 O ATOM 911 CB PRO A 57 57.552 -3.911 5.699 1.00 0.00 C ATOM 912 CG PRO A 57 56.618 -4.902 4.979 1.00 0.00 C ATOM 913 CD PRO A 57 55.391 -4.143 4.465 1.00 0.00 C ATOM 0 HA PRO A 57 56.788 -2.043 6.565 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.545 -3.934 5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.668 -4.193 6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.141 -5.379 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.312 -5.695 5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.255 -4.273 3.391 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.474 -4.482 4.946 1.00 0.00 H new ATOM 921 N SER A 58 58.221 -0.429 5.429 1.00 0.00 N ATOM 922 CA SER A 58 59.117 0.567 4.750 1.00 0.00 C ATOM 923 C SER A 58 60.383 -0.105 4.202 1.00 0.00 C ATOM 924 O SER A 58 60.796 0.152 3.087 1.00 0.00 O ATOM 925 CB SER A 58 59.482 1.580 5.835 1.00 0.00 C ATOM 926 OG SER A 58 60.356 2.559 5.288 1.00 0.00 O ATOM 0 H SER A 58 57.908 -0.157 6.361 1.00 0.00 H new ATOM 0 HA SER A 58 58.622 1.032 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.581 2.056 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 58 59.962 1.075 6.674 1.00 0.00 H new ATOM 0 HG SER A 58 60.591 3.211 5.981 1.00 0.00 H new ATOM 932 N ASN A 59 60.997 -0.961 4.978 1.00 0.00 N ATOM 933 CA ASN A 59 62.237 -1.651 4.505 1.00 0.00 C ATOM 934 C ASN A 59 61.926 -2.487 3.258 1.00 0.00 C ATOM 935 O ASN A 59 62.696 -2.541 2.318 1.00 0.00 O ATOM 936 CB ASN A 59 62.680 -2.531 5.690 1.00 0.00 C ATOM 937 CG ASN A 59 61.758 -3.748 5.864 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.676 -3.635 6.584 1.00 0.00 O flip ATOM 939 ND2 ASN A 59 62.032 -4.811 5.341 1.00 0.00 N flip ATOM 0 H ASN A 59 60.694 -1.213 5.919 1.00 0.00 H new ATOM 0 HA ASN A 59 63.026 -0.957 4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.704 -2.869 5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.679 -1.939 6.605 1.00 0.00 H new ATOM 0 HD21 ASN A 59 62.878 -4.899 4.778 1.00 0.00 H new ATOM 0 HD22 ASN A 59 61.416 -5.614 5.465 1.00 0.00 H new ATOM 946 N TYR A 60 60.797 -3.138 3.265 1.00 0.00 N ATOM 947 CA TYR A 60 60.403 -3.986 2.098 1.00 0.00 C ATOM 948 C TYR A 60 60.269 -3.133 0.831 1.00 0.00 C ATOM 949 O TYR A 60 60.555 -3.590 -0.259 1.00 0.00 O ATOM 950 CB TYR A 60 59.048 -4.593 2.477 1.00 0.00 C ATOM 951 CG TYR A 60 59.245 -5.997 3.001 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.691 -6.198 4.313 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.979 -7.096 2.176 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.871 -7.499 4.799 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.159 -8.396 2.663 1.00 0.00 C ATOM 956 CZ TYR A 60 59.605 -8.597 3.975 1.00 0.00 C ATOM 957 OH TYR A 60 59.781 -9.879 4.454 1.00 0.00 O ATOM 0 H TYR A 60 60.124 -3.121 4.032 1.00 0.00 H new ATOM 0 HA TYR A 60 61.149 -4.752 1.886 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.562 -3.977 3.234 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.390 -4.608 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.896 -5.350 4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.635 -6.941 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.215 -7.654 5.811 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.954 -9.244 2.027 1.00 0.00 H new ATOM 0 HH TYR A 60 59.550 -10.524 3.754 1.00 0.00 H new ATOM 967 N VAL A 61 59.834 -1.902 0.960 1.00 0.00 N ATOM 968 CA VAL A 61 59.685 -1.032 -0.250 1.00 0.00 C ATOM 969 C VAL A 61 60.770 0.047 -0.285 1.00 0.00 C ATOM 970 O VAL A 61 61.472 0.270 0.683 1.00 0.00 O ATOM 971 CB VAL A 61 58.301 -0.384 -0.143 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.224 -1.469 -0.207 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.181 0.379 1.180 1.00 0.00 C ATOM 0 H VAL A 61 59.577 -1.464 1.845 1.00 0.00 H new ATOM 0 HA VAL A 61 59.787 -1.617 -1.164 1.00 0.00 H new ATOM 0 HB VAL A 61 58.168 0.313 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.239 -1.009 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.302 -2.004 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.362 -2.168 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.194 0.837 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.319 -0.312 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.945 1.156 1.223 1.00 0.00 H new ATOM 983 N THR A 62 60.899 0.719 -1.399 1.00 0.00 N ATOM 984 CA THR A 62 61.925 1.797 -1.523 1.00 0.00 C ATOM 985 C THR A 62 61.343 2.958 -2.358 1.00 0.00 C ATOM 986 O THR A 62 60.229 3.381 -2.119 1.00 0.00 O ATOM 987 CB THR A 62 63.122 1.118 -2.207 1.00 0.00 C ATOM 988 OG1 THR A 62 64.180 2.056 -2.341 1.00 0.00 O ATOM 989 CG2 THR A 62 62.714 0.608 -3.591 1.00 0.00 C ATOM 0 H THR A 62 60.334 0.566 -2.234 1.00 0.00 H new ATOM 0 HA THR A 62 62.226 2.232 -0.570 1.00 0.00 H new ATOM 0 HB THR A 62 63.452 0.275 -1.600 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.946 1.626 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.568 0.128 -4.068 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.903 -0.113 -3.489 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.379 1.445 -4.203 1.00 0.00 H new ATOM 997 N GLU A 63 62.067 3.480 -3.324 1.00 0.00 N ATOM 998 CA GLU A 63 61.521 4.604 -4.144 1.00 0.00 C ATOM 999 C GLU A 63 60.735 4.053 -5.335 1.00 0.00 C ATOM 1000 O GLU A 63 61.196 3.183 -6.044 1.00 0.00 O ATOM 1001 CB GLU A 63 62.743 5.391 -4.616 1.00 0.00 C ATOM 1002 CG GLU A 63 63.003 6.554 -3.658 1.00 0.00 C ATOM 1003 CD GLU A 63 64.317 7.242 -4.033 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.602 7.327 -5.216 1.00 0.00 O ATOM 1005 OE2 GLU A 63 65.017 7.672 -3.131 1.00 0.00 O ATOM 0 H GLU A 63 63.007 3.176 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 63 60.835 5.233 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.615 4.738 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.578 5.768 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.181 7.268 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.051 6.190 -2.632 1.00 0.00 H new ATOM 1012 N ALA A 64 59.544 4.558 -5.548 1.00 0.00 N ATOM 1013 CA ALA A 64 58.678 4.079 -6.680 1.00 0.00 C ATOM 1014 C ALA A 64 59.472 3.941 -7.989 1.00 0.00 C ATOM 1015 O ALA A 64 59.153 3.127 -8.834 1.00 0.00 O ATOM 1016 CB ALA A 64 57.612 5.156 -6.831 1.00 0.00 C ATOM 0 H ALA A 64 59.126 5.293 -4.978 1.00 0.00 H new ATOM 0 HA ALA A 64 58.264 3.092 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.933 4.885 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.051 5.245 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.088 6.109 -7.060 1.00 0.00 H new