USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 333 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 303 ASN : amide:sc= 0.971 K(o=3.2,f=1.2) USER MOD Set 1.2: A 305 THR OG1 : rot 79:sc= 2.2 USER MOD Single : A 290 SER OG : rot 180:sc= 0.0613 USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 293 SER OG : rot -36:sc= 0.0363 USER MOD Single : A 297 TYR OH : rot 180:sc= 0.457 USER MOD Single : A 301 HIS : no HE2:sc= -14.5! C(o=-14!,f=-11!) USER MOD Single : A 302 ASN : amide:sc= -0.413 K(o=-0.41,f=-3.2!) USER MOD Single : A 306 THR OG1 : rot -165:sc= 1.12 USER MOD Single : A 307 GLN : amide:sc= -5.13! K(o=-5.1!,f=-0.6) USER MOD Single : A 309 THR OG1 : rot 47:sc= 0.0776 USER MOD Single : B 222 THR OG1 : rot 71:sc= -2.7! USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 282 -9.012 6.842 3.434 1.00 15.00 N ATOM 44 CA LEU A 282 -7.692 6.277 3.671 1.00 15.00 C ATOM 45 C LEU A 282 -7.315 6.457 5.140 1.00 15.00 C ATOM 46 O LEU A 282 -7.145 7.585 5.608 1.00 15.00 O ATOM 47 CB LEU A 282 -6.647 6.956 2.779 1.00 15.00 C ATOM 48 CG LEU A 282 -5.258 6.309 2.795 1.00 15.00 C ATOM 49 CD1 LEU A 282 -5.256 5.009 2.006 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.206 7.267 2.261 1.00 15.00 C ATOM 0 HA LEU A 282 -7.716 5.215 3.428 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -7.016 6.961 1.753 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -6.549 7.997 3.088 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.008 6.077 3.830 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -4.259 4.569 2.032 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -5.971 4.315 2.447 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -5.537 5.210 0.972 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.229 6.784 2.283 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -4.452 7.542 1.235 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -4.182 8.163 2.881 1.00 15.00 H new ATOM 62 N PRO A 283 -7.206 5.352 5.889 1.00 15.00 N ATOM 63 CA PRO A 283 -6.891 5.385 7.324 1.00 15.00 C ATOM 64 C PRO A 283 -5.503 5.964 7.612 1.00 15.00 C ATOM 65 O PRO A 283 -4.523 5.614 6.951 1.00 15.00 O ATOM 66 CB PRO A 283 -6.951 3.909 7.742 1.00 15.00 C ATOM 67 CG PRO A 283 -7.708 3.225 6.657 1.00 15.00 C ATOM 68 CD PRO A 283 -7.383 3.976 5.402 1.00 15.00 C ATOM 0 HA PRO A 283 -7.582 6.026 7.870 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -5.951 3.489 7.849 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.450 3.792 8.704 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.415 2.178 6.574 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.779 3.241 6.857 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.480 3.596 4.924 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.186 3.906 4.668 1.00 15.00 H new ATOM 76 N PRO A 284 -5.407 6.859 8.609 1.00 15.00 N ATOM 77 CA PRO A 284 -4.131 7.443 9.033 1.00 15.00 C ATOM 78 C PRO A 284 -3.136 6.371 9.472 1.00 15.00 C ATOM 79 O PRO A 284 -3.417 5.576 10.374 1.00 15.00 O ATOM 80 CB PRO A 284 -4.509 8.350 10.213 1.00 15.00 C ATOM 81 CG PRO A 284 -5.866 7.902 10.638 1.00 15.00 C ATOM 82 CD PRO A 284 -6.534 7.373 9.402 1.00 15.00 C ATOM 0 HA PRO A 284 -3.640 7.982 8.223 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -3.791 8.255 11.027 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -4.517 9.399 9.916 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -5.800 7.131 11.406 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -6.434 8.729 11.065 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.253 6.588 9.637 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.077 8.155 8.871 1.00 15.00 H new ATOM 90 N GLY A 285 -1.982 6.344 8.823 1.00 15.00 N ATOM 91 CA GLY A 285 -1.001 5.309 9.089 1.00 15.00 C ATOM 92 C GLY A 285 -0.826 4.395 7.897 1.00 15.00 C ATOM 93 O GLY A 285 0.071 3.551 7.868 1.00 15.00 O ATOM 0 H GLY A 285 -1.705 7.023 8.114 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.045 5.768 9.341 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.312 4.725 9.955 1.00 15.00 H new ATOM 97 N TRP A 286 -1.696 4.571 6.913 1.00 15.00 N ATOM 98 CA TRP A 286 -1.625 3.818 5.672 1.00 15.00 C ATOM 99 C TRP A 286 -0.767 4.542 4.664 1.00 15.00 C ATOM 100 O TRP A 286 -1.151 5.591 4.143 1.00 15.00 O ATOM 101 CB TRP A 286 -3.027 3.617 5.072 1.00 15.00 C ATOM 102 CG TRP A 286 -3.744 2.418 5.594 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.912 2.067 6.903 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.385 1.399 4.814 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.600 0.884 6.987 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.898 0.450 5.723 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.573 1.181 3.436 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.575 -0.692 5.306 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.239 0.041 3.035 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.728 -0.883 3.963 1.00 15.00 C ATOM 0 H TRP A 286 -2.467 5.237 6.953 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.186 2.847 5.901 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.628 4.504 5.274 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -2.939 3.532 3.989 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.555 2.637 7.748 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.850 0.404 7.852 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.204 1.890 2.709 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.966 -1.402 6.020 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.386 -0.141 1.981 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.238 -1.767 3.610 1.00 15.00 H new ATOM 121 N GLU A 287 0.398 3.993 4.393 1.00 15.00 N ATOM 122 CA GLU A 287 1.216 4.507 3.331 1.00 15.00 C ATOM 123 C GLU A 287 0.847 3.777 2.060 1.00 15.00 C ATOM 124 O GLU A 287 0.995 2.562 1.957 1.00 15.00 O ATOM 125 CB GLU A 287 2.702 4.352 3.661 1.00 15.00 C ATOM 126 CG GLU A 287 3.267 5.512 4.465 1.00 15.00 C ATOM 127 CD GLU A 287 2.520 5.768 5.759 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.715 5.001 6.724 1.00 15.00 O1- ATOM 129 OE2 GLU A 287 1.754 6.752 5.816 1.00 15.00 O ATOM 0 H GLU A 287 0.792 3.196 4.893 1.00 15.00 H new ATOM 0 HA GLU A 287 1.038 5.574 3.201 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.848 3.427 4.220 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.264 4.255 2.732 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.314 5.311 4.692 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.241 6.415 3.854 1.00 15.00 H new ATOM 136 N VAL A 288 0.320 4.517 1.111 1.00 15.00 N ATOM 137 CA VAL A 288 -0.113 3.932 -0.135 1.00 15.00 C ATOM 138 C VAL A 288 1.042 3.940 -1.120 1.00 15.00 C ATOM 139 O VAL A 288 1.415 4.980 -1.666 1.00 15.00 O ATOM 140 CB VAL A 288 -1.354 4.669 -0.700 1.00 15.00 C ATOM 141 CG1 VAL A 288 -1.177 6.178 -0.645 1.00 15.00 C ATOM 142 CG2 VAL A 288 -1.657 4.221 -2.120 1.00 15.00 C ATOM 0 H VAL A 288 0.181 5.525 1.179 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.416 2.900 0.040 1.00 15.00 H new ATOM 0 HB VAL A 288 -2.203 4.406 -0.069 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.065 6.664 -1.049 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -1.032 6.490 0.389 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -0.307 6.464 -1.236 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -2.532 4.754 -2.491 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.802 4.438 -2.760 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -1.855 3.149 -2.129 1.00 15.00 H new ATOM 152 N ARG A 289 1.649 2.780 -1.304 1.00 15.00 N ATOM 153 CA ARG A 289 2.813 2.689 -2.146 1.00 15.00 C ATOM 154 C ARG A 289 2.371 2.219 -3.523 1.00 15.00 C ATOM 155 O ARG A 289 2.174 1.034 -3.768 1.00 15.00 O ATOM 156 CB ARG A 289 3.872 1.778 -1.490 1.00 15.00 C ATOM 157 CG ARG A 289 5.311 2.058 -1.920 1.00 15.00 C ATOM 158 CD ARG A 289 5.555 1.747 -3.386 1.00 15.00 C ATOM 159 NE ARG A 289 6.893 2.144 -3.828 1.00 15.00 N ATOM 160 CZ ARG A 289 7.885 1.289 -4.078 1.00 15.00 C ATOM 161 NH1 ARG A 289 7.747 -0.001 -3.811 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.033 1.731 -4.572 1.00 15.00 N ATOM 0 H ARG A 289 1.353 1.899 -0.883 1.00 15.00 H new ATOM 0 HA ARG A 289 3.293 3.660 -2.267 1.00 15.00 H new ATOM 0 HB2 ARG A 289 3.803 1.886 -0.407 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.633 0.740 -1.723 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.545 3.106 -1.731 1.00 15.00 H new ATOM 0 HG3 ARG A 289 5.991 1.464 -1.309 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.422 0.678 -3.554 1.00 15.00 H new ATOM 0 HD3 ARG A 289 4.808 2.260 -3.992 1.00 15.00 H new ATOM 0 HE ARG A 289 7.078 3.139 -3.953 1.00 15.00 H new ATOM 0 HH11 ARG A 289 6.876 -0.349 -3.410 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.512 -0.647 -4.006 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.158 2.726 -4.761 1.00 15.00 H new ATOM 0 HH22 ARG A 289 9.792 1.077 -4.763 1.00 15.00 H new ATOM 176 N SER A 290 2.119 3.185 -4.386 1.00 15.00 N ATOM 177 CA SER A 290 1.644 2.920 -5.727 1.00 15.00 C ATOM 178 C SER A 290 2.809 2.888 -6.703 1.00 15.00 C ATOM 179 O SER A 290 3.627 3.804 -6.739 1.00 15.00 O ATOM 180 CB SER A 290 0.622 3.989 -6.105 1.00 15.00 C ATOM 181 OG SER A 290 0.893 5.203 -5.420 1.00 15.00 O ATOM 0 H SER A 290 2.239 4.176 -4.175 1.00 15.00 H new ATOM 0 HA SER A 290 1.162 1.943 -5.769 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.647 4.159 -7.181 1.00 15.00 H new ATOM 0 HB3 SER A 290 -0.382 3.643 -5.860 1.00 15.00 H new ATOM 0 HG SER A 290 0.230 5.878 -5.675 1.00 15.00 H new ATOM 187 N THR A 291 2.889 1.827 -7.486 1.00 15.00 N ATOM 188 CA THR A 291 4.026 1.636 -8.363 1.00 15.00 C ATOM 189 C THR A 291 3.625 1.702 -9.833 1.00 15.00 C ATOM 190 O THR A 291 2.551 1.219 -10.224 1.00 15.00 O ATOM 191 CB THR A 291 4.729 0.298 -8.064 1.00 15.00 C ATOM 192 OG1 THR A 291 3.790 -0.784 -8.152 1.00 15.00 O ATOM 193 CG2 THR A 291 5.346 0.327 -6.674 1.00 15.00 C ATOM 0 H THR A 291 2.185 1.090 -7.532 1.00 15.00 H new ATOM 0 HA THR A 291 4.722 2.452 -8.170 1.00 15.00 H new ATOM 0 HB THR A 291 5.518 0.148 -8.801 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.247 -1.630 -7.962 1.00 15.00 H new ATOM 0 HG21 THR A 291 5.840 -0.624 -6.475 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.077 1.134 -6.617 1.00 15.00 H new ATOM 0 HG23 THR A 291 4.564 0.492 -5.932 1.00 15.00 H new ATOM 201 N VAL A 292 4.518 2.287 -10.635 1.00 15.00 N ATOM 202 CA VAL A 292 4.304 2.497 -12.068 1.00 15.00 C ATOM 203 C VAL A 292 4.164 1.162 -12.803 1.00 15.00 C ATOM 204 O VAL A 292 3.715 1.107 -13.949 1.00 15.00 O ATOM 205 CB VAL A 292 5.464 3.312 -12.687 1.00 15.00 C ATOM 206 CG1 VAL A 292 5.130 3.765 -14.101 1.00 15.00 C ATOM 207 CG2 VAL A 292 5.798 4.512 -11.813 1.00 15.00 C ATOM 0 H VAL A 292 5.419 2.632 -10.304 1.00 15.00 H new ATOM 0 HA VAL A 292 3.378 3.060 -12.181 1.00 15.00 H new ATOM 0 HB VAL A 292 6.337 2.661 -12.740 1.00 15.00 H new ATOM 0 HG11 VAL A 292 5.966 4.335 -14.507 1.00 15.00 H new ATOM 0 HG12 VAL A 292 4.946 2.893 -14.729 1.00 15.00 H new ATOM 0 HG13 VAL A 292 4.239 4.392 -14.081 1.00 15.00 H new ATOM 0 HG21 VAL A 292 6.616 5.074 -12.264 1.00 15.00 H new ATOM 0 HG22 VAL A 292 4.921 5.154 -11.726 1.00 15.00 H new ATOM 0 HG23 VAL A 292 6.096 4.169 -10.822 1.00 15.00 H new ATOM 217 N SER A 293 4.559 0.087 -12.130 1.00 15.00 N ATOM 218 CA SER A 293 4.326 -1.269 -12.613 1.00 15.00 C ATOM 219 C SER A 293 2.822 -1.509 -12.829 1.00 15.00 C ATOM 220 O SER A 293 2.415 -2.482 -13.468 1.00 15.00 O ATOM 221 CB SER A 293 4.912 -2.286 -11.629 1.00 15.00 C ATOM 222 OG SER A 293 4.880 -3.599 -12.156 1.00 15.00 O ATOM 0 H SER A 293 5.049 0.131 -11.236 1.00 15.00 H new ATOM 0 HA SER A 293 4.827 -1.396 -13.573 1.00 15.00 H new ATOM 0 HB2 SER A 293 5.940 -2.013 -11.392 1.00 15.00 H new ATOM 0 HB3 SER A 293 4.351 -2.254 -10.695 1.00 15.00 H new ATOM 0 HG SER A 293 4.067 -3.717 -12.691 1.00 15.00 H new ATOM 228 N GLY A 294 2.006 -0.617 -12.274 1.00 15.00 N ATOM 229 CA GLY A 294 0.575 -0.680 -12.469 1.00 15.00 C ATOM 230 C GLY A 294 -0.133 -1.503 -11.420 1.00 15.00 C ATOM 231 O GLY A 294 -1.047 -2.268 -11.733 1.00 15.00 O ATOM 0 H GLY A 294 2.319 0.156 -11.686 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.169 0.332 -12.463 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.367 -1.101 -13.453 1.00 15.00 H new ATOM 235 N ARG A 295 0.298 -1.367 -10.174 1.00 15.00 N ATOM 236 CA ARG A 295 -0.434 -1.959 -9.060 1.00 15.00 C ATOM 237 C ARG A 295 -0.243 -1.138 -7.791 1.00 15.00 C ATOM 238 O ARG A 295 0.872 -0.706 -7.472 1.00 15.00 O ATOM 239 CB ARG A 295 -0.058 -3.437 -8.812 1.00 15.00 C ATOM 240 CG ARG A 295 1.386 -3.698 -8.408 1.00 15.00 C ATOM 241 CD ARG A 295 2.324 -3.687 -9.602 1.00 15.00 C ATOM 242 NE ARG A 295 1.843 -4.533 -10.701 1.00 15.00 N ATOM 243 CZ ARG A 295 2.542 -5.542 -11.229 1.00 15.00 C ATOM 244 NH1 ARG A 295 3.690 -5.916 -10.682 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 2.071 -6.202 -12.278 1.00 15.00 N ATOM 0 H ARG A 295 1.141 -0.858 -9.909 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.488 -1.945 -9.338 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -0.710 -3.831 -8.032 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.269 -4.002 -9.720 1.00 15.00 H new ATOM 0 HG2 ARG A 295 1.704 -2.941 -7.691 1.00 15.00 H new ATOM 0 HG3 ARG A 295 1.452 -4.662 -7.904 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.441 -2.664 -9.959 1.00 15.00 H new ATOM 0 HD3 ARG A 295 3.310 -4.029 -9.289 1.00 15.00 H new ATOM 0 HE ARG A 295 0.918 -4.339 -11.085 1.00 15.00 H new ATOM 0 HH11 ARG A 295 4.042 -5.433 -9.855 1.00 15.00 H new ATOM 0 HH12 ARG A 295 4.221 -6.687 -11.088 1.00 15.00 H new ATOM 0 HH21 ARG A 295 1.173 -5.940 -12.684 1.00 15.00 H new ATOM 0 HH22 ARG A 295 2.607 -6.972 -12.679 1.00 15.00 H new ATOM 259 N ILE A 296 -1.339 -0.923 -7.078 1.00 15.00 N ATOM 260 CA ILE A 296 -1.296 -0.285 -5.775 1.00 15.00 C ATOM 261 C ILE A 296 -1.124 -1.377 -4.723 1.00 15.00 C ATOM 262 O ILE A 296 -1.706 -2.457 -4.839 1.00 15.00 O ATOM 263 CB ILE A 296 -2.580 0.562 -5.516 1.00 15.00 C ATOM 264 CG1 ILE A 296 -2.396 1.517 -4.326 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.799 -0.330 -5.298 1.00 15.00 C ATOM 266 CD1 ILE A 296 -2.623 0.886 -2.966 1.00 15.00 C ATOM 0 H ILE A 296 -2.276 -1.185 -7.385 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.457 0.409 -5.727 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.751 1.164 -6.409 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -1.386 1.925 -4.358 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -3.082 2.356 -4.441 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.677 0.291 -5.120 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.963 -0.945 -6.183 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.629 -0.974 -4.435 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -2.471 1.634 -2.188 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -3.642 0.504 -2.908 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -1.919 0.066 -2.823 1.00 15.00 H new ATOM 278 N TYR A 297 -0.297 -1.122 -3.724 1.00 15.00 N ATOM 279 CA TYR A 297 0.032 -2.156 -2.762 1.00 15.00 C ATOM 280 C TYR A 297 0.330 -1.490 -1.445 1.00 15.00 C ATOM 281 O TYR A 297 1.076 -0.499 -1.377 1.00 15.00 O ATOM 282 CB TYR A 297 1.168 -3.085 -3.256 1.00 15.00 C ATOM 283 CG TYR A 297 2.591 -2.690 -2.913 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.221 -1.651 -3.574 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.317 -3.386 -1.944 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.522 -1.306 -3.279 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.618 -3.042 -1.644 1.00 15.00 C ATOM 288 CZ TYR A 297 5.215 -2.000 -2.314 1.00 15.00 C ATOM 289 OH TYR A 297 6.510 -1.647 -2.019 1.00 15.00 O ATOM 0 H TYR A 297 0.153 -0.221 -3.560 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.818 -2.826 -2.632 1.00 15.00 H new ATOM 0 HB2 TYR A 297 0.988 -4.081 -2.852 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.092 -3.163 -4.341 1.00 15.00 H new ATOM 0 HD1 TYR A 297 2.685 -1.101 -4.333 1.00 15.00 H new ATOM 0 HD2 TYR A 297 2.851 -4.208 -1.421 1.00 15.00 H new ATOM 0 HE1 TYR A 297 4.997 -0.491 -3.805 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.164 -3.587 -0.888 1.00 15.00 H new ATOM 0 HH TYR A 297 6.857 -2.234 -1.315 1.00 15.00 H new ATOM 299 N PHE A 298 -0.290 -1.985 -0.409 1.00 15.00 N ATOM 300 CA PHE A 298 -0.272 -1.288 0.829 1.00 15.00 C ATOM 301 C PHE A 298 0.855 -1.633 1.737 1.00 15.00 C ATOM 302 O PHE A 298 1.198 -2.789 1.947 1.00 15.00 O ATOM 303 CB PHE A 298 -1.580 -1.430 1.533 1.00 15.00 C ATOM 304 CG PHE A 298 -2.334 -0.209 1.281 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.902 0.970 1.850 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.419 -0.206 0.438 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.542 2.135 1.591 1.00 15.00 C ATOM 308 CE2 PHE A 298 -4.073 0.964 0.181 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.628 2.127 0.763 1.00 15.00 C ATOM 0 H PHE A 298 -0.808 -2.863 -0.406 1.00 15.00 H new ATOM 0 HA PHE A 298 -0.104 -0.245 0.560 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -2.123 -2.301 1.166 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.429 -1.576 2.603 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -1.046 0.965 2.508 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.753 -1.126 -0.019 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.198 3.058 2.033 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.932 0.976 -0.473 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.147 3.052 0.562 1.00 15.00 H new ATOM 319 N VAL A 299 1.377 -0.577 2.309 1.00 15.00 N ATOM 320 CA VAL A 299 2.466 -0.642 3.221 1.00 15.00 C ATOM 321 C VAL A 299 2.165 0.279 4.405 1.00 15.00 C ATOM 322 O VAL A 299 2.457 1.474 4.396 1.00 15.00 O ATOM 323 CB VAL A 299 3.764 -0.230 2.494 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.169 -1.297 1.482 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.560 1.086 1.766 1.00 15.00 C ATOM 0 H VAL A 299 1.040 0.371 2.142 1.00 15.00 H new ATOM 0 HA VAL A 299 2.601 -1.656 3.596 1.00 15.00 H new ATOM 0 HB VAL A 299 4.551 -0.120 3.240 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.086 -0.991 0.978 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.336 -2.243 1.998 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.375 -1.421 0.746 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.482 1.367 1.257 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.760 0.977 1.034 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.291 1.861 2.484 1.00 15.00 H new ATOM 335 N ASP A 300 1.520 -0.269 5.410 1.00 15.00 N ATOM 336 CA ASP A 300 1.204 0.507 6.595 1.00 15.00 C ATOM 337 C ASP A 300 2.354 0.375 7.578 1.00 15.00 C ATOM 338 O ASP A 300 2.736 -0.735 7.953 1.00 15.00 O ATOM 339 CB ASP A 300 -0.149 0.064 7.195 1.00 15.00 C ATOM 340 CG ASP A 300 -0.068 -0.401 8.641 1.00 15.00 C ATOM 341 OD1 ASP A 300 0.024 0.451 9.545 1.00 15.00 O1- ATOM 342 OD2 ASP A 300 -0.102 -1.624 8.875 1.00 15.00 O ATOM 0 H ASP A 300 1.205 -1.239 5.435 1.00 15.00 H new ATOM 0 HA ASP A 300 1.089 1.561 6.341 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -0.851 0.895 7.131 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.556 -0.744 6.587 1.00 15.00 H new ATOM 347 N HIS A 301 2.948 1.508 7.947 1.00 15.00 N ATOM 348 CA HIS A 301 4.130 1.492 8.802 1.00 15.00 C ATOM 349 C HIS A 301 3.734 1.337 10.265 1.00 15.00 C ATOM 350 O HIS A 301 4.572 1.043 11.114 1.00 15.00 O ATOM 351 CB HIS A 301 4.958 2.779 8.684 1.00 15.00 C ATOM 352 CG HIS A 301 5.359 3.227 7.304 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.620 4.546 7.031 1.00 15.00 N ATOM 354 CD2 HIS A 301 5.637 2.554 6.155 1.00 15.00 C ATOM 355 CE1 HIS A 301 6.042 4.666 5.796 1.00 15.00 C ATOM 356 NE2 HIS A 301 6.071 3.471 5.236 1.00 15.00 N ATOM 0 H HIS A 301 2.634 2.438 7.671 1.00 15.00 H new ATOM 0 HA HIS A 301 4.730 0.646 8.466 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.391 3.586 9.148 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.867 2.649 9.272 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.503 5.316 7.689 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.534 1.491 5.997 1.00 15.00 H new ATOM 0 HE1 HIS A 301 6.321 5.592 5.315 1.00 15.00 H new ATOM 365 N ASN A 302 2.459 1.556 10.555 1.00 15.00 N ATOM 366 CA ASN A 302 1.979 1.574 11.932 1.00 15.00 C ATOM 367 C ASN A 302 1.891 0.156 12.481 1.00 15.00 C ATOM 368 O ASN A 302 2.599 -0.202 13.425 1.00 15.00 O ATOM 369 CB ASN A 302 0.612 2.268 12.004 1.00 15.00 C ATOM 370 CG ASN A 302 0.118 2.505 13.426 1.00 15.00 C ATOM 371 OD1 ASN A 302 0.407 1.745 14.349 1.00 15.00 O ATOM 372 ND2 ASN A 302 -0.642 3.574 13.610 1.00 15.00 N ATOM 0 H ASN A 302 1.737 1.724 9.855 1.00 15.00 H new ATOM 0 HA ASN A 302 2.686 2.134 12.544 1.00 15.00 H new ATOM 0 HB2 ASN A 302 0.673 3.225 11.486 1.00 15.00 H new ATOM 0 HB3 ASN A 302 -0.121 1.663 11.471 1.00 15.00 H new ATOM 0 HD21 ASN A 302 -1.006 3.787 14.539 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -0.863 4.184 12.823 1.00 15.00 H new ATOM 379 N ASN A 303 1.030 -0.648 11.881 1.00 15.00 N ATOM 380 CA ASN A 303 0.855 -2.031 12.309 1.00 15.00 C ATOM 381 C ASN A 303 1.757 -2.964 11.506 1.00 15.00 C ATOM 382 O ASN A 303 1.991 -4.107 11.901 1.00 15.00 O ATOM 383 CB ASN A 303 -0.615 -2.449 12.162 1.00 15.00 C ATOM 384 CG ASN A 303 -0.877 -3.888 12.576 1.00 15.00 C ATOM 385 OD1 ASN A 303 -1.100 -4.176 13.753 1.00 15.00 O ATOM 386 ND2 ASN A 303 -0.878 -4.799 11.611 1.00 15.00 N ATOM 0 H ASN A 303 0.440 -0.370 11.096 1.00 15.00 H new ATOM 0 HA ASN A 303 1.138 -2.105 13.359 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -1.236 -1.786 12.765 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.921 -2.316 11.124 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -1.068 -5.776 11.833 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -0.689 -4.522 10.648 1.00 15.00 H new ATOM 393 N ARG A 304 2.282 -2.447 10.396 1.00 15.00 N ATOM 394 CA ARG A 304 3.019 -3.243 9.422 1.00 15.00 C ATOM 395 C ARG A 304 2.090 -4.257 8.771 1.00 15.00 C ATOM 396 O ARG A 304 1.993 -5.410 9.199 1.00 15.00 O ATOM 397 CB ARG A 304 4.242 -3.927 10.040 1.00 15.00 C ATOM 398 CG ARG A 304 4.990 -4.838 9.078 1.00 15.00 C ATOM 399 CD ARG A 304 6.236 -5.411 9.724 1.00 15.00 C ATOM 400 NE ARG A 304 5.936 -6.047 11.006 1.00 15.00 N ATOM 401 CZ ARG A 304 6.773 -6.062 12.039 1.00 15.00 C ATOM 402 NH1 ARG A 304 7.999 -5.570 11.909 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 6.387 -6.584 13.192 1.00 15.00 N ATOM 0 H ARG A 304 2.207 -1.460 10.148 1.00 15.00 H new ATOM 0 HA ARG A 304 3.397 -2.567 8.655 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.927 -3.163 10.408 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.922 -4.511 10.903 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.336 -5.650 8.759 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.265 -4.280 8.183 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.691 -6.140 9.054 1.00 15.00 H new ATOM 0 HD3 ARG A 304 6.967 -4.616 9.874 1.00 15.00 H new ATOM 0 HE ARG A 304 5.032 -6.506 11.114 1.00 15.00 H new ATOM 0 HH11 ARG A 304 8.300 -5.180 11.016 1.00 15.00 H new ATOM 0 HH12 ARG A 304 8.640 -5.582 12.702 1.00 15.00 H new ATOM 0 HH21 ARG A 304 5.449 -6.974 13.287 1.00 15.00 H new ATOM 0 HH22 ARG A 304 7.027 -6.597 13.986 1.00 15.00 H new ATOM 417 N THR A 305 1.354 -3.790 7.778 1.00 15.00 N ATOM 418 CA THR A 305 0.414 -4.632 7.063 1.00 15.00 C ATOM 419 C THR A 305 0.513 -4.382 5.564 1.00 15.00 C ATOM 420 O THR A 305 0.407 -3.241 5.107 1.00 15.00 O ATOM 421 CB THR A 305 -1.034 -4.361 7.521 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.056 -4.029 8.916 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.912 -5.578 7.275 1.00 15.00 C ATOM 0 H THR A 305 1.391 -2.826 7.448 1.00 15.00 H new ATOM 0 HA THR A 305 0.668 -5.669 7.282 1.00 15.00 H new ATOM 0 HB THR A 305 -1.423 -3.523 6.942 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.786 -3.094 9.034 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.929 -5.366 7.605 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.918 -5.813 6.211 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.520 -6.428 7.833 1.00 15.00 H new ATOM 431 N THR A 306 0.738 -5.441 4.803 1.00 15.00 N ATOM 432 CA THR A 306 0.801 -5.326 3.359 1.00 15.00 C ATOM 433 C THR A 306 -0.466 -5.893 2.726 1.00 15.00 C ATOM 434 O THR A 306 -0.754 -7.086 2.848 1.00 15.00 O ATOM 435 CB THR A 306 2.029 -6.053 2.788 1.00 15.00 C ATOM 436 OG1 THR A 306 3.160 -5.870 3.653 1.00 15.00 O ATOM 437 CG2 THR A 306 2.359 -5.521 1.401 1.00 15.00 C ATOM 0 H THR A 306 0.879 -6.385 5.161 1.00 15.00 H new ATOM 0 HA THR A 306 0.887 -4.266 3.119 1.00 15.00 H new ATOM 0 HB THR A 306 1.799 -7.116 2.718 1.00 15.00 H new ATOM 0 HG1 THR A 306 3.978 -6.130 3.181 1.00 15.00 H new ATOM 0 HG21 THR A 306 3.231 -6.045 1.008 1.00 15.00 H new ATOM 0 HG22 THR A 306 1.509 -5.683 0.738 1.00 15.00 H new ATOM 0 HG23 THR A 306 2.574 -4.454 1.462 1.00 15.00 H new ATOM 445 N GLN A 307 -1.225 -5.035 2.056 1.00 15.00 N ATOM 446 CA GLN A 307 -2.512 -5.429 1.493 1.00 15.00 C ATOM 447 C GLN A 307 -2.598 -5.056 0.016 1.00 15.00 C ATOM 448 O GLN A 307 -2.286 -3.934 -0.358 1.00 15.00 O ATOM 449 CB GLN A 307 -3.654 -4.729 2.243 1.00 15.00 C ATOM 450 CG GLN A 307 -3.611 -4.877 3.760 1.00 15.00 C ATOM 451 CD GLN A 307 -3.988 -6.263 4.261 1.00 15.00 C ATOM 452 OE1 GLN A 307 -4.565 -6.397 5.339 1.00 15.00 O ATOM 453 NE2 GLN A 307 -3.641 -7.299 3.516 1.00 15.00 N ATOM 0 H GLN A 307 -0.972 -4.061 1.889 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.603 -6.510 1.597 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.635 -3.668 1.995 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.603 -5.124 1.881 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -2.607 -4.637 4.109 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -4.286 -4.146 4.205 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -3.163 -7.151 2.627 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -3.851 -8.246 3.830 1.00 15.00 H new ATOM 462 N PHE A 308 -3.028 -5.991 -0.820 1.00 15.00 N ATOM 463 CA PHE A 308 -3.347 -5.668 -2.208 1.00 15.00 C ATOM 464 C PHE A 308 -4.732 -5.027 -2.301 1.00 15.00 C ATOM 465 O PHE A 308 -5.106 -4.463 -3.330 1.00 15.00 O ATOM 466 CB PHE A 308 -3.229 -6.897 -3.125 1.00 15.00 C ATOM 467 CG PHE A 308 -1.851 -7.067 -3.719 1.00 15.00 C ATOM 468 CD1 PHE A 308 -1.071 -5.952 -3.991 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.339 -8.323 -4.032 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.183 -6.082 -4.555 1.00 15.00 C ATOM 471 CE2 PHE A 308 -0.087 -8.450 -4.591 1.00 15.00 C ATOM 472 CZ PHE A 308 0.674 -7.330 -4.853 1.00 15.00 C ATOM 0 H PHE A 308 -3.164 -6.970 -0.567 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.612 -4.945 -2.561 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.486 -7.791 -2.557 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.957 -6.811 -3.932 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.450 -4.968 -3.758 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.929 -9.206 -3.835 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.777 -5.204 -4.761 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.301 -9.430 -4.825 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.655 -7.434 -5.292 1.00 15.00 H new ATOM 482 N THR A 309 -5.501 -5.151 -1.225 1.00 15.00 N ATOM 483 CA THR A 309 -6.802 -4.504 -1.124 1.00 15.00 C ATOM 484 C THR A 309 -6.640 -3.018 -0.801 1.00 15.00 C ATOM 485 O THR A 309 -6.065 -2.663 0.231 1.00 15.00 O ATOM 486 CB THR A 309 -7.658 -5.172 -0.032 1.00 15.00 C ATOM 487 OG1 THR A 309 -6.925 -5.202 1.202 1.00 15.00 O ATOM 488 CG2 THR A 309 -8.044 -6.588 -0.432 1.00 15.00 C ATOM 0 H THR A 309 -5.242 -5.699 -0.404 1.00 15.00 H new ATOM 0 HA THR A 309 -7.303 -4.610 -2.086 1.00 15.00 H new ATOM 0 HB THR A 309 -8.571 -4.590 0.094 1.00 15.00 H new ATOM 0 HG1 THR A 309 -6.528 -4.322 1.368 1.00 15.00 H new ATOM 0 HG21 THR A 309 -8.648 -7.037 0.356 1.00 15.00 H new ATOM 0 HG22 THR A 309 -8.618 -6.561 -1.358 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.143 -7.182 -0.581 1.00 15.00 H new ATOM 496 N ASP A 310 -7.147 -2.162 -1.678 1.00 15.00 N ATOM 497 CA ASP A 310 -7.004 -0.716 -1.522 1.00 15.00 C ATOM 498 C ASP A 310 -8.357 -0.027 -1.359 1.00 15.00 C ATOM 499 O ASP A 310 -9.286 -0.269 -2.132 1.00 15.00 O ATOM 500 CB ASP A 310 -6.273 -0.128 -2.728 1.00 15.00 C ATOM 501 CG ASP A 310 -6.411 1.381 -2.803 1.00 15.00 C ATOM 502 OD1 ASP A 310 -5.898 2.080 -1.907 1.00 15.00 O ATOM 503 OD2 ASP A 310 -7.050 1.870 -3.749 1.00 15.00 O1- ATOM 0 H ASP A 310 -7.664 -2.444 -2.511 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.424 -0.540 -0.616 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.217 -0.392 -2.675 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -6.667 -0.573 -3.642 1.00 15.00 H new ATOM 508 N PRO A 311 -8.477 0.852 -0.348 1.00 15.00 N ATOM 509 CA PRO A 311 -9.686 1.632 -0.108 1.00 15.00 C ATOM 510 C PRO A 311 -9.775 2.902 -0.962 1.00 15.00 C ATOM 511 O PRO A 311 -10.839 3.523 -1.044 1.00 15.00 O ATOM 512 CB PRO A 311 -9.574 1.987 1.371 1.00 15.00 C ATOM 513 CG PRO A 311 -8.109 2.093 1.619 1.00 15.00 C ATOM 514 CD PRO A 311 -7.441 1.131 0.665 1.00 15.00 C ATOM 0 HA PRO A 311 -10.583 1.072 -0.372 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.083 2.925 1.594 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -10.028 1.221 1.999 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -7.760 3.112 1.450 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -7.871 1.842 2.653 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -6.551 1.570 0.214 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.125 0.220 1.173 1.00 15.00 H new ATOM 522 N ARG A 312 -8.660 3.310 -1.567 1.00 15.00 N ATOM 523 CA ARG A 312 -8.642 4.509 -2.407 1.00 15.00 C ATOM 524 C ARG A 312 -9.458 4.280 -3.674 1.00 15.00 C ATOM 525 O ARG A 312 -10.144 5.180 -4.155 1.00 15.00 O ATOM 526 CB ARG A 312 -7.208 4.903 -2.781 1.00 15.00 C ATOM 527 CG ARG A 312 -6.352 5.350 -1.607 1.00 15.00 C ATOM 528 CD ARG A 312 -6.423 6.856 -1.392 1.00 15.00 C ATOM 529 NE ARG A 312 -7.721 7.297 -0.878 1.00 15.00 N ATOM 530 CZ ARG A 312 -8.062 8.580 -0.726 1.00 15.00 C ATOM 531 NH1 ARG A 312 -7.248 9.541 -1.143 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -9.231 8.900 -0.184 1.00 15.00 N ATOM 0 H ARG A 312 -7.762 2.832 -1.493 1.00 15.00 H new ATOM 0 HA ARG A 312 -9.085 5.323 -1.834 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -6.725 4.053 -3.264 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -7.245 5.708 -3.515 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -6.681 4.838 -0.702 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -5.317 5.057 -1.780 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -5.641 7.156 -0.695 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -6.220 7.363 -2.336 1.00 15.00 H new ATOM 0 HE ARG A 312 -8.404 6.584 -0.621 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -6.359 9.302 -1.581 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -7.512 10.519 -1.025 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -9.871 8.166 0.118 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -9.489 9.880 -0.069 1.00 15.00 H new ATOM 546 N LEU A 313 -9.343 3.081 -4.224 1.00 15.00 N ATOM 547 CA LEU A 313 -10.134 2.680 -5.378 1.00 15.00 C ATOM 548 C LEU A 313 -11.566 2.393 -4.953 1.00 15.00 C ATOM 549 O LEU A 313 -11.831 1.282 -4.450 1.00 15.00 O ATOM 550 CB LEU A 313 -9.523 1.441 -6.039 1.00 15.00 C ATOM 551 CG LEU A 313 -8.112 1.628 -6.598 1.00 15.00 C ATOM 552 CD1 LEU A 313 -7.545 0.297 -7.068 1.00 15.00 C ATOM 553 CD2 LEU A 313 -8.116 2.643 -7.733 1.00 15.00 C ATOM 0 H LEU A 313 -8.703 2.362 -3.886 1.00 15.00 H new ATOM 0 HA LEU A 313 -10.135 3.495 -6.101 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -9.502 0.632 -5.308 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -10.178 1.122 -6.850 1.00 15.00 H new ATOM 0 HG LEU A 313 -7.473 2.010 -5.802 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -6.540 0.449 -7.463 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -7.504 -0.398 -6.229 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -8.184 -0.115 -7.849 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -7.103 2.763 -8.118 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -8.769 2.292 -8.532 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -8.479 3.602 -7.362 1.00 15.00 H new ATOM 566 N ASP B 221 0.495 -8.468 -9.524 1.00 15.00 N ATOM 567 CA ASP B 221 1.789 -8.497 -8.809 1.00 15.00 C ATOM 568 C ASP B 221 1.807 -9.716 -7.889 1.00 15.00 C ATOM 569 O ASP B 221 0.779 -10.363 -7.692 1.00 15.00 O ATOM 570 CB ASP B 221 1.981 -7.193 -8.009 1.00 15.00 C ATOM 571 CG ASP B 221 3.437 -6.904 -7.651 1.00 15.00 C ATOM 572 OD1 ASP B 221 4.089 -7.744 -7.010 1.00 15.00 O ATOM 573 OD2 ASP B 221 3.937 -5.814 -8.003 1.00 15.00 O1- ATOM 0 HA ASP B 221 2.612 -8.572 -9.520 1.00 15.00 H new ATOM 0 HB2 ASP B 221 1.586 -6.359 -8.589 1.00 15.00 H new ATOM 0 HB3 ASP B 221 1.394 -7.249 -7.092 1.00 15.00 H new ATOM 578 N THR B 222 2.961 -10.014 -7.329 1.00 15.00 N ATOM 579 CA THR B 222 3.152 -11.189 -6.493 1.00 15.00 C ATOM 580 C THR B 222 2.617 -10.905 -5.091 1.00 15.00 C ATOM 581 O THR B 222 2.494 -9.741 -4.718 1.00 15.00 O ATOM 582 CB THR B 222 4.668 -11.548 -6.464 1.00 15.00 C ATOM 583 OG1 THR B 222 4.917 -12.805 -5.820 1.00 15.00 O ATOM 584 CG2 THR B 222 5.467 -10.458 -5.765 1.00 15.00 C ATOM 0 H THR B 222 3.801 -9.446 -7.440 1.00 15.00 H new ATOM 0 HA THR B 222 2.604 -12.040 -6.897 1.00 15.00 H new ATOM 0 HB THR B 222 4.988 -11.630 -7.503 1.00 15.00 H new ATOM 0 HG1 THR B 222 4.595 -13.534 -6.390 1.00 15.00 H new ATOM 0 HG21 THR B 222 6.523 -10.729 -5.756 1.00 15.00 H new ATOM 0 HG22 THR B 222 5.339 -9.515 -6.297 1.00 15.00 H new ATOM 0 HG23 THR B 222 5.112 -10.347 -4.740 1.00 15.00 H new ATOM 592 N PRO B 223 2.296 -11.950 -4.289 1.00 15.00 N ATOM 593 CA PRO B 223 1.695 -11.761 -2.964 1.00 15.00 C ATOM 594 C PRO B 223 2.445 -10.722 -2.135 1.00 15.00 C ATOM 595 O PRO B 223 3.676 -10.625 -2.197 1.00 15.00 O ATOM 596 CB PRO B 223 1.830 -13.145 -2.329 1.00 15.00 C ATOM 597 CG PRO B 223 1.761 -14.087 -3.478 1.00 15.00 C ATOM 598 CD PRO B 223 2.418 -13.382 -4.633 1.00 15.00 C ATOM 0 HA PRO B 223 0.670 -11.395 -3.021 1.00 15.00 H new ATOM 0 HB2 PRO B 223 2.772 -13.245 -1.789 1.00 15.00 H new ATOM 0 HB3 PRO B 223 1.031 -13.333 -1.612 1.00 15.00 H new ATOM 0 HG2 PRO B 223 2.274 -15.021 -3.248 1.00 15.00 H new ATOM 0 HG3 PRO B 223 0.727 -14.341 -3.713 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.461 -13.680 -4.742 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.921 -13.610 -5.576 1.00 15.00 H new ATOM 606 N PRO B 224 1.693 -9.980 -1.305 1.00 15.00 N ATOM 607 CA PRO B 224 2.137 -8.716 -0.713 1.00 15.00 C ATOM 608 C PRO B 224 3.527 -8.769 -0.071 1.00 15.00 C ATOM 609 O PRO B 224 3.795 -9.555 0.841 1.00 15.00 O ATOM 610 CB PRO B 224 1.071 -8.408 0.348 1.00 15.00 C ATOM 611 CG PRO B 224 0.138 -9.573 0.375 1.00 15.00 C ATOM 612 CD PRO B 224 0.320 -10.311 -0.915 1.00 15.00 C ATOM 0 HA PRO B 224 2.236 -7.953 -1.485 1.00 15.00 H new ATOM 0 HB2 PRO B 224 1.530 -8.258 1.325 1.00 15.00 H new ATOM 0 HB3 PRO B 224 0.536 -7.490 0.103 1.00 15.00 H new ATOM 0 HG2 PRO B 224 0.355 -10.221 1.224 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.893 -9.238 0.485 1.00 15.00 H new ATOM 0 HD2 PRO B 224 0.187 -11.385 -0.786 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.400 -9.989 -1.667 1.00 15.00 H new ATOM 620 N PRO B 225 4.417 -7.899 -0.575 1.00 15.00 N ATOM 621 CA PRO B 225 5.823 -7.804 -0.161 1.00 15.00 C ATOM 622 C PRO B 225 6.004 -7.118 1.192 1.00 15.00 C ATOM 623 O PRO B 225 5.035 -6.723 1.837 1.00 15.00 O ATOM 624 CB PRO B 225 6.466 -6.937 -1.259 1.00 15.00 C ATOM 625 CG PRO B 225 5.424 -6.753 -2.309 1.00 15.00 C ATOM 626 CD PRO B 225 4.109 -6.916 -1.619 1.00 15.00 C ATOM 0 HA PRO B 225 6.263 -8.795 -0.047 1.00 15.00 H new ATOM 0 HB2 PRO B 225 6.788 -5.976 -0.857 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.351 -7.423 -1.670 1.00 15.00 H new ATOM 0 HG2 PRO B 225 5.504 -5.768 -2.769 1.00 15.00 H new ATOM 0 HG3 PRO B 225 5.540 -7.487 -3.106 1.00 15.00 H new ATOM 0 HD2 PRO B 225 3.752 -5.976 -1.198 1.00 15.00 H new ATOM 0 HD3 PRO B 225 3.336 -7.275 -2.299 1.00 15.00 H new ATOM 634 N ALA B 226 7.255 -6.996 1.624 1.00 15.00 N ATOM 635 CA ALA B 226 7.582 -6.206 2.805 1.00 15.00 C ATOM 636 C ALA B 226 7.208 -4.746 2.562 1.00 15.00 C ATOM 637 O ALA B 226 7.192 -4.291 1.414 1.00 15.00 O ATOM 638 CB ALA B 226 9.060 -6.331 3.137 1.00 15.00 C ATOM 0 H ALA B 226 8.059 -7.434 1.174 1.00 15.00 H new ATOM 0 HA ALA B 226 7.012 -6.582 3.655 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.286 -5.735 4.021 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.302 -7.376 3.332 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.653 -5.972 2.296 1.00 15.00 H new ATOM 644 N TYR B 227 6.925 -4.007 3.626 1.00 15.00 N ATOM 645 CA TYR B 227 6.388 -2.665 3.472 1.00 15.00 C ATOM 646 C TYR B 227 7.488 -1.610 3.390 1.00 15.00 C ATOM 647 O TYR B 227 8.531 -1.703 4.042 1.00 15.00 O ATOM 648 CB TYR B 227 5.429 -2.319 4.610 1.00 15.00 C ATOM 649 CG TYR B 227 6.130 -1.861 5.869 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.684 -2.766 6.763 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.249 -0.513 6.148 1.00 15.00 C ATOM 652 CE1 TYR B 227 7.341 -2.334 7.899 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.898 -0.068 7.275 1.00 15.00 C ATOM 654 CZ TYR B 227 7.447 -0.980 8.152 1.00 15.00 C ATOM 655 OH TYR B 227 8.096 -0.539 9.280 1.00 15.00 O ATOM 0 H TYR B 227 7.056 -4.309 4.591 1.00 15.00 H new ATOM 0 HA TYR B 227 5.841 -2.658 2.529 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.749 -1.535 4.276 1.00 15.00 H new ATOM 0 HB3 TYR B 227 4.820 -3.193 4.840 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.600 -3.825 6.568 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.823 0.207 5.465 1.00 15.00 H new ATOM 0 HE1 TYR B 227 7.769 -3.050 8.585 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.978 0.991 7.473 1.00 15.00 H new ATOM 0 HH TYR B 227 8.081 0.441 9.304 1.00 15.00 H new ATOM 665 N LEU B 228 7.217 -0.613 2.570 1.00 15.00 N ATOM 666 CA LEU B 228 8.113 0.505 2.321 1.00 15.00 C ATOM 667 C LEU B 228 7.362 1.824 2.462 1.00 15.00 C ATOM 668 O LEU B 228 6.149 1.840 2.423 1.00 15.00 O ATOM 669 CB LEU B 228 8.747 0.396 0.928 1.00 15.00 C ATOM 670 CG LEU B 228 9.630 -0.834 0.696 1.00 15.00 C ATOM 671 CD1 LEU B 228 10.086 -0.896 -0.753 1.00 15.00 C ATOM 672 CD2 LEU B 228 10.831 -0.813 1.627 1.00 15.00 C ATOM 0 H LEU B 228 6.345 -0.555 2.044 1.00 15.00 H new ATOM 0 HA LEU B 228 8.912 0.476 3.061 1.00 15.00 H new ATOM 0 HB2 LEU B 228 7.950 0.394 0.185 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.346 1.289 0.750 1.00 15.00 H new ATOM 0 HG LEU B 228 9.040 -1.725 0.913 1.00 15.00 H new ATOM 0 HD11 LEU B 228 10.712 -1.776 -0.900 1.00 15.00 H new ATOM 0 HD12 LEU B 228 9.215 -0.957 -1.406 1.00 15.00 H new ATOM 0 HD13 LEU B 228 10.658 0.000 -0.993 1.00 15.00 H new ATOM 0 HD21 LEU B 228 11.446 -1.695 1.447 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.420 0.085 1.441 1.00 15.00 H new ATOM 0 HD23 LEU B 228 10.489 -0.814 2.662 1.00 15.00 H new ATOM 684 N PRO B 229 8.051 2.952 2.645 1.00 15.00 N ATOM 685 CA PRO B 229 7.372 4.242 2.708 1.00 15.00 C ATOM 686 C PRO B 229 7.212 4.842 1.309 1.00 15.00 C ATOM 687 O PRO B 229 8.053 4.633 0.432 1.00 15.00 O ATOM 688 CB PRO B 229 8.337 5.106 3.543 1.00 15.00 C ATOM 689 CG PRO B 229 9.421 4.181 3.996 1.00 15.00 C ATOM 690 CD PRO B 229 9.461 3.067 2.995 1.00 15.00 C ATOM 0 HA PRO B 229 6.369 4.172 3.130 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.744 5.924 2.949 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.824 5.554 4.394 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.380 4.697 4.043 1.00 15.00 H new ATOM 0 HG3 PRO B 229 9.215 3.799 4.996 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.081 3.311 2.132 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.856 2.145 3.421 1.00 15.00 H new ATOM 698 N PRO B 230 6.135 5.630 1.099 1.00 15.00 N ATOM 699 CA PRO B 230 5.443 5.687 -0.189 1.00 15.00 C ATOM 700 C PRO B 230 5.951 6.724 -1.183 1.00 15.00 C ATOM 701 O PRO B 230 6.490 7.775 -0.818 1.00 15.00 O ATOM 702 CB PRO B 230 4.033 6.054 0.258 1.00 15.00 C ATOM 703 CG PRO B 230 4.245 7.003 1.388 1.00 15.00 C ATOM 704 CD PRO B 230 5.521 6.573 2.069 1.00 15.00 C ATOM 0 HA PRO B 230 5.569 4.755 -0.740 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.466 6.517 -0.550 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.474 5.174 0.576 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.324 8.028 1.025 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.405 6.975 2.082 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.174 7.422 2.270 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.322 6.090 3.026 1.00 15.00 H new ATOM 712 N GLU B 231 5.726 6.404 -2.453 1.00 15.00 N ATOM 713 CA GLU B 231 5.985 7.305 -3.558 1.00 15.00 C ATOM 714 C GLU B 231 4.699 7.447 -4.395 1.00 15.00 C ATOM 715 O GLU B 231 4.193 6.451 -4.912 1.00 15.00 O ATOM 716 CB GLU B 231 7.136 6.763 -4.424 1.00 15.00 C ATOM 717 CG GLU B 231 6.912 5.352 -4.967 1.00 15.00 C ATOM 718 CD GLU B 231 8.095 4.846 -5.760 1.00 15.00 C ATOM 719 OE1 GLU B 231 9.016 4.266 -5.149 1.00 15.00 O1- ATOM 720 OE2 GLU B 231 8.104 5.014 -6.993 1.00 15.00 O ATOM 0 H GLU B 231 5.354 5.499 -2.742 1.00 15.00 H new ATOM 0 HA GLU B 231 6.279 8.283 -3.177 1.00 15.00 H new ATOM 0 HB2 GLU B 231 7.292 7.441 -5.263 1.00 15.00 H new ATOM 0 HB3 GLU B 231 8.052 6.770 -3.834 1.00 15.00 H new ATOM 0 HG2 GLU B 231 6.717 4.673 -4.137 1.00 15.00 H new ATOM 0 HG3 GLU B 231 6.024 5.346 -5.600 1.00 15.00 H new