USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 339 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 290 SER OG : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 180:sc= 0 USER MOD Single : A 302 TYR OH : rot 180:sc= 0 USER MOD Single : A 304 LYS NZ :NH3+ -161:sc=-0.00327 (180deg=-0.223) USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 307 SER OG : rot 180:sc= 0 USER MOD Single : A 309 ASN : amide:sc=-0.00902 X(o=-0.009,f=0) USER MOD Single : A 311 MET CE :methyl 150:sc= -2.03! (180deg=-2.7!) USER MOD Single : A 312 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.8) USER MOD Single : A 317 SER OG : rot 28:sc= 1.29 USER MOD Single : A 318 HIS : no HD1:sc= -3.65 X(o=-3.6,f=-3.7!) USER MOD Single : A 320 ASN : amide:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 328 ASN : amide:sc= -0.654 X(o=-0.65,f=-1) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 14.312 18.365 10.092 1.00 0.00 N ATOM 2 CA SER A 290 13.730 17.001 9.995 1.00 0.00 C ATOM 3 C SER A 290 14.765 15.992 9.508 1.00 0.00 C ATOM 4 O SER A 290 15.750 16.359 8.867 1.00 0.00 O ATOM 5 CB SER A 290 12.542 17.046 9.032 1.00 0.00 C ATOM 6 OG SER A 290 11.609 16.020 9.322 1.00 0.00 O ATOM 0 HA SER A 290 13.401 16.681 10.984 1.00 0.00 H new ATOM 0 HB2 SER A 290 12.052 18.017 9.100 1.00 0.00 H new ATOM 0 HB3 SER A 290 12.897 16.939 8.007 1.00 0.00 H new ATOM 0 HG SER A 290 10.859 16.072 8.693 1.00 0.00 H new ATOM 14 N PHE A 291 14.534 14.720 9.816 1.00 0.00 N ATOM 15 CA PHE A 291 15.447 13.657 9.411 1.00 0.00 C ATOM 16 C PHE A 291 14.703 12.559 8.657 1.00 0.00 C ATOM 17 O PHE A 291 14.068 11.698 9.265 1.00 0.00 O ATOM 18 CB PHE A 291 16.152 13.066 10.633 1.00 0.00 C ATOM 19 CG PHE A 291 17.428 12.346 10.300 1.00 0.00 C ATOM 20 CD1 PHE A 291 18.529 13.042 9.832 1.00 0.00 C ATOM 21 CD2 PHE A 291 17.523 10.972 10.454 1.00 0.00 C ATOM 22 CE1 PHE A 291 19.704 12.382 9.525 1.00 0.00 C ATOM 23 CE2 PHE A 291 18.695 10.306 10.149 1.00 0.00 C ATOM 24 CZ PHE A 291 19.787 11.012 9.684 1.00 0.00 C ATOM 0 H PHE A 291 13.722 14.400 10.345 1.00 0.00 H new ATOM 0 HA PHE A 291 16.194 14.089 8.745 1.00 0.00 H new ATOM 0 HB2 PHE A 291 16.370 13.867 11.339 1.00 0.00 H new ATOM 0 HB3 PHE A 291 15.474 12.375 11.134 1.00 0.00 H new ATOM 0 HD1 PHE A 291 18.469 14.113 9.705 1.00 0.00 H new ATOM 0 HD2 PHE A 291 16.671 10.415 10.816 1.00 0.00 H new ATOM 0 HE1 PHE A 291 20.556 12.937 9.161 1.00 0.00 H new ATOM 0 HE2 PHE A 291 18.757 9.235 10.274 1.00 0.00 H new ATOM 0 HZ PHE A 291 20.704 10.494 9.445 1.00 0.00 H new ATOM 34 N GLU A 292 14.786 12.597 7.332 1.00 0.00 N ATOM 35 CA GLU A 292 14.120 11.603 6.497 1.00 0.00 C ATOM 36 C GLU A 292 14.874 10.277 6.524 1.00 0.00 C ATOM 37 O GLU A 292 16.064 10.221 6.216 1.00 0.00 O ATOM 38 CB GLU A 292 14.008 12.110 5.058 1.00 0.00 C ATOM 39 CG GLU A 292 12.738 12.902 4.790 1.00 0.00 C ATOM 40 CD GLU A 292 12.993 14.153 3.972 1.00 0.00 C ATOM 41 OE1 GLU A 292 13.584 15.109 4.517 1.00 0.00 O ATOM 42 OE2 GLU A 292 12.601 14.177 2.786 1.00 0.00 O ATOM 0 H GLU A 292 15.307 13.304 6.813 1.00 0.00 H new ATOM 0 HA GLU A 292 13.119 11.439 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 292 14.871 12.737 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 292 14.046 11.259 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 292 12.023 12.268 4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 292 12.280 13.180 5.739 1.00 0.00 H new ATOM 49 N GLU A 293 14.171 9.212 6.894 1.00 0.00 N ATOM 50 CA GLU A 293 14.772 7.885 6.962 1.00 0.00 C ATOM 51 C GLU A 293 15.323 7.467 5.602 1.00 0.00 C ATOM 52 O GLU A 293 15.398 8.275 4.677 1.00 0.00 O ATOM 53 CB GLU A 293 13.744 6.860 7.445 1.00 0.00 C ATOM 54 CG GLU A 293 12.998 7.290 8.699 1.00 0.00 C ATOM 55 CD GLU A 293 13.013 6.229 9.781 1.00 0.00 C ATOM 56 OE1 GLU A 293 12.416 5.152 9.566 1.00 0.00 O ATOM 57 OE2 GLU A 293 13.622 6.472 10.844 1.00 0.00 O ATOM 0 H GLU A 293 13.184 9.242 7.151 1.00 0.00 H new ATOM 0 HA GLU A 293 15.598 7.924 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 293 13.023 6.678 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 293 14.250 5.914 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 293 13.445 8.205 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 293 11.966 7.525 8.440 1.00 0.00 H new ATOM 64 N ASP A 294 15.706 6.199 5.489 1.00 0.00 N ATOM 65 CA ASP A 294 16.247 5.674 4.241 1.00 0.00 C ATOM 66 C ASP A 294 16.478 4.166 4.338 1.00 0.00 C ATOM 67 O ASP A 294 15.985 3.403 3.507 1.00 0.00 O ATOM 68 CB ASP A 294 17.554 6.387 3.882 1.00 0.00 C ATOM 69 CG ASP A 294 17.391 7.340 2.715 1.00 0.00 C ATOM 70 OD1 ASP A 294 16.966 6.886 1.632 1.00 0.00 O ATOM 71 OD2 ASP A 294 17.690 8.541 2.884 1.00 0.00 O ATOM 0 H ASP A 294 15.652 5.517 6.246 1.00 0.00 H new ATOM 0 HA ASP A 294 15.518 5.859 3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 294 17.914 6.939 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 294 18.314 5.645 3.638 1.00 0.00 H new ATOM 76 N PRO A 295 17.230 3.711 5.357 1.00 0.00 N ATOM 77 CA PRO A 295 17.513 2.285 5.549 1.00 0.00 C ATOM 78 C PRO A 295 16.248 1.479 5.815 1.00 0.00 C ATOM 79 O PRO A 295 16.068 0.386 5.278 1.00 0.00 O ATOM 80 CB PRO A 295 18.434 2.252 6.778 1.00 0.00 C ATOM 81 CG PRO A 295 18.944 3.646 6.924 1.00 0.00 C ATOM 82 CD PRO A 295 17.859 4.539 6.399 1.00 0.00 C ATOM 0 HA PRO A 295 17.960 1.840 4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 295 17.891 1.937 7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 295 19.253 1.546 6.637 1.00 0.00 H new ATOM 0 HG2 PRO A 295 19.166 3.873 7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 295 19.869 3.784 6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 295 17.150 4.815 7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 295 18.261 5.466 5.991 1.00 0.00 H new ATOM 90 N GLU A 296 15.378 2.029 6.651 1.00 0.00 N ATOM 91 CA GLU A 296 14.126 1.370 6.998 1.00 0.00 C ATOM 92 C GLU A 296 13.152 1.393 5.824 1.00 0.00 C ATOM 93 O GLU A 296 12.468 2.389 5.592 1.00 0.00 O ATOM 94 CB GLU A 296 13.490 2.047 8.214 1.00 0.00 C ATOM 95 CG GLU A 296 13.998 1.510 9.542 1.00 0.00 C ATOM 96 CD GLU A 296 13.398 0.163 9.895 1.00 0.00 C ATOM 97 OE1 GLU A 296 13.843 -0.853 9.321 1.00 0.00 O ATOM 98 OE2 GLU A 296 12.483 0.123 10.744 1.00 0.00 O ATOM 0 H GLU A 296 15.517 2.933 7.103 1.00 0.00 H new ATOM 0 HA GLU A 296 14.348 0.331 7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 296 13.684 3.118 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 296 12.409 1.917 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 296 15.084 1.421 9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 296 13.766 2.225 10.331 1.00 0.00 H new ATOM 105 N ILE A 297 13.089 0.284 5.093 1.00 0.00 N ATOM 106 CA ILE A 297 12.199 0.171 3.952 1.00 0.00 C ATOM 107 C ILE A 297 12.527 1.226 2.895 1.00 0.00 C ATOM 108 O ILE A 297 13.074 2.284 3.207 1.00 0.00 O ATOM 109 CB ILE A 297 10.722 0.292 4.399 1.00 0.00 C ATOM 110 CG1 ILE A 297 10.077 -1.094 4.472 1.00 0.00 C ATOM 111 CG2 ILE A 297 9.935 1.196 3.468 1.00 0.00 C ATOM 112 CD1 ILE A 297 9.019 -1.211 5.547 1.00 0.00 C ATOM 0 H ILE A 297 13.648 -0.550 5.275 1.00 0.00 H new ATOM 0 HA ILE A 297 12.346 -0.813 3.506 1.00 0.00 H new ATOM 0 HB ILE A 297 10.706 0.743 5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 297 9.630 -1.329 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 297 10.853 -1.838 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 297 8.902 1.260 3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.379 2.192 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 297 9.958 0.787 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 297 8.605 -2.219 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 297 9.465 -1.007 6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 297 8.224 -0.491 5.355 1.00 0.00 H new ATOM 124 N SER A 298 12.189 0.929 1.645 1.00 0.00 N ATOM 125 CA SER A 298 12.446 1.848 0.543 1.00 0.00 C ATOM 126 C SER A 298 11.157 2.529 0.092 1.00 0.00 C ATOM 127 O SER A 298 10.078 1.938 0.148 1.00 0.00 O ATOM 128 CB SER A 298 13.082 1.103 -0.632 1.00 0.00 C ATOM 129 OG SER A 298 14.097 1.882 -1.242 1.00 0.00 O ATOM 0 H SER A 298 11.736 0.058 1.370 1.00 0.00 H new ATOM 0 HA SER A 298 13.137 2.614 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 298 13.503 0.160 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 298 12.316 0.857 -1.368 1.00 0.00 H new ATOM 0 HG SER A 298 14.488 1.382 -1.989 1.00 0.00 H new ATOM 135 N LEU A 299 11.276 3.775 -0.354 1.00 0.00 N ATOM 136 CA LEU A 299 10.120 4.539 -0.812 1.00 0.00 C ATOM 137 C LEU A 299 9.727 4.141 -2.231 1.00 0.00 C ATOM 138 O LEU A 299 8.550 4.161 -2.590 1.00 0.00 O ATOM 139 CB LEU A 299 10.422 6.038 -0.758 1.00 0.00 C ATOM 140 CG LEU A 299 9.227 6.950 -1.044 1.00 0.00 C ATOM 141 CD1 LEU A 299 8.196 6.842 0.067 1.00 0.00 C ATOM 142 CD2 LEU A 299 9.687 8.390 -1.210 1.00 0.00 C ATOM 0 H LEU A 299 12.162 4.278 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 299 9.284 4.316 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 299 10.815 6.279 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 299 11.210 6.261 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 299 8.761 6.628 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 299 7.353 7.497 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 299 7.846 5.812 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 299 8.648 7.139 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 299 8.825 9.026 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 299 10.177 8.723 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 299 10.389 8.454 -2.041 1.00 0.00 H new ATOM 154 N ALA A 300 10.722 3.782 -3.033 1.00 0.00 N ATOM 155 CA ALA A 300 10.488 3.385 -4.416 1.00 0.00 C ATOM 156 C ALA A 300 9.652 2.110 -4.501 1.00 0.00 C ATOM 157 O ALA A 300 8.944 1.887 -5.483 1.00 0.00 O ATOM 158 CB ALA A 300 11.813 3.195 -5.139 1.00 0.00 C ATOM 0 H ALA A 300 11.701 3.758 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 300 9.926 4.183 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.625 2.899 -6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.372 4.131 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.393 2.419 -4.639 1.00 0.00 H new ATOM 164 N ASP A 301 9.742 1.276 -3.472 1.00 0.00 N ATOM 165 CA ASP A 301 8.998 0.021 -3.440 1.00 0.00 C ATOM 166 C ASP A 301 7.532 0.246 -3.066 1.00 0.00 C ATOM 167 O ASP A 301 6.715 -0.670 -3.165 1.00 0.00 O ATOM 168 CB ASP A 301 9.641 -0.950 -2.448 1.00 0.00 C ATOM 169 CG ASP A 301 9.283 -2.394 -2.737 1.00 0.00 C ATOM 170 OD1 ASP A 301 8.878 -2.688 -3.882 1.00 0.00 O ATOM 171 OD2 ASP A 301 9.408 -3.231 -1.819 1.00 0.00 O ATOM 0 H ASP A 301 10.321 1.445 -2.650 1.00 0.00 H new ATOM 0 HA ASP A 301 9.031 -0.407 -4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 301 10.724 -0.834 -2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.323 -0.695 -1.437 1.00 0.00 H new ATOM 176 N TYR A 302 7.203 1.460 -2.628 1.00 0.00 N ATOM 177 CA TYR A 302 5.838 1.784 -2.236 1.00 0.00 C ATOM 178 C TYR A 302 4.840 1.447 -3.341 1.00 0.00 C ATOM 179 O TYR A 302 5.199 1.387 -4.516 1.00 0.00 O ATOM 180 CB TYR A 302 5.736 3.262 -1.875 1.00 0.00 C ATOM 181 CG TYR A 302 6.199 3.544 -0.470 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.313 2.900 0.040 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.520 4.436 0.350 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.745 3.132 1.322 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.947 4.675 1.641 1.00 0.00 C ATOM 186 CZ TYR A 302 7.061 4.020 2.124 1.00 0.00 C ATOM 187 OH TYR A 302 7.491 4.255 3.411 1.00 0.00 O ATOM 0 H TYR A 302 7.863 2.232 -2.537 1.00 0.00 H new ATOM 0 HA TYR A 302 5.589 1.178 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.333 3.846 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.702 3.590 -1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.853 2.202 -0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.647 4.949 -0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.618 2.621 1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.412 5.371 2.270 1.00 0.00 H new ATOM 0 HH TYR A 302 6.899 4.908 3.840 1.00 0.00 H new ATOM 197 N TRP A 303 3.586 1.233 -2.954 1.00 0.00 N ATOM 198 CA TRP A 303 2.536 0.908 -3.913 1.00 0.00 C ATOM 199 C TRP A 303 1.360 1.870 -3.769 1.00 0.00 C ATOM 200 O TRP A 303 1.226 2.552 -2.754 1.00 0.00 O ATOM 201 CB TRP A 303 2.063 -0.534 -3.719 1.00 0.00 C ATOM 202 CG TRP A 303 1.659 -0.844 -2.311 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.489 -1.082 -1.252 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.323 -0.951 -1.807 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.749 -1.329 -0.120 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.417 -1.254 -0.435 1.00 0.00 C ATOM 207 CE3 TRP A 303 -0.944 -0.818 -2.382 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.707 -1.426 0.368 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -2.059 -0.990 -1.584 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.934 -1.290 -0.222 1.00 0.00 C ATOM 0 H TRP A 303 3.273 1.279 -1.984 1.00 0.00 H new ATOM 0 HA TRP A 303 2.947 1.010 -4.917 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.218 -0.723 -4.381 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.861 -1.213 -4.018 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.568 -1.077 -1.298 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.129 -1.535 0.804 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -1.050 -0.585 -3.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.614 -1.658 1.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -3.043 -0.891 -2.018 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.825 -1.417 0.375 1.00 0.00 H new ATOM 221 N LYS A 304 0.514 1.922 -4.793 1.00 0.00 N ATOM 222 CA LYS A 304 -0.646 2.807 -4.780 1.00 0.00 C ATOM 223 C LYS A 304 -1.924 2.038 -4.458 1.00 0.00 C ATOM 224 O LYS A 304 -2.249 1.051 -5.118 1.00 0.00 O ATOM 225 CB LYS A 304 -0.789 3.511 -6.130 1.00 0.00 C ATOM 226 CG LYS A 304 -1.611 4.789 -6.064 1.00 0.00 C ATOM 227 CD LYS A 304 -0.895 5.874 -5.275 1.00 0.00 C ATOM 228 CE LYS A 304 -0.361 6.969 -6.185 1.00 0.00 C ATOM 229 NZ LYS A 304 0.512 6.420 -7.259 1.00 0.00 N ATOM 0 H LYS A 304 0.609 1.363 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.490 3.552 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.203 3.746 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -1.253 2.827 -6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -1.812 5.146 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.576 4.579 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -1.581 6.308 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -0.071 5.433 -4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 304 -1.196 7.507 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 304 0.202 7.691 -5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 1.103 7.182 -7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 1.122 5.676 -6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -0.079 6.018 -8.015 1.00 0.00 H new ATOM 243 N CYS A 305 -2.649 2.500 -3.443 1.00 0.00 N ATOM 244 CA CYS A 305 -3.896 1.858 -3.039 1.00 0.00 C ATOM 245 C CYS A 305 -4.896 1.854 -4.192 1.00 0.00 C ATOM 246 O CYS A 305 -5.185 2.895 -4.781 1.00 0.00 O ATOM 247 CB CYS A 305 -4.494 2.568 -1.825 1.00 0.00 C ATOM 248 SG CYS A 305 -5.651 1.553 -0.879 1.00 0.00 S ATOM 0 H CYS A 305 -2.395 3.316 -2.886 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.676 0.826 -2.767 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.685 2.887 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -5.007 3.470 -2.160 1.00 0.00 H new ATOM 254 N THR A 306 -5.408 0.669 -4.513 1.00 0.00 N ATOM 255 CA THR A 306 -6.360 0.512 -5.609 1.00 0.00 C ATOM 256 C THR A 306 -7.744 1.071 -5.276 1.00 0.00 C ATOM 257 O THR A 306 -8.651 1.006 -6.105 1.00 0.00 O ATOM 258 CB THR A 306 -6.480 -0.965 -5.987 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.092 -1.700 -4.942 1.00 0.00 O ATOM 260 CG2 THR A 306 -5.149 -1.616 -6.289 1.00 0.00 C ATOM 0 H THR A 306 -5.179 -0.199 -4.028 1.00 0.00 H new ATOM 0 HA THR A 306 -5.973 1.087 -6.450 1.00 0.00 H new ATOM 0 HB THR A 306 -7.087 -0.984 -6.892 1.00 0.00 H new ATOM 0 HG1 THR A 306 -7.162 -2.642 -5.202 1.00 0.00 H new ATOM 0 HG21 THR A 306 -5.307 -2.663 -6.550 1.00 0.00 H new ATOM 0 HG22 THR A 306 -4.674 -1.102 -7.124 1.00 0.00 H new ATOM 0 HG23 THR A 306 -4.506 -1.554 -5.411 1.00 0.00 H new ATOM 268 N SER A 307 -7.916 1.619 -4.075 1.00 0.00 N ATOM 269 CA SER A 307 -9.205 2.172 -3.685 1.00 0.00 C ATOM 270 C SER A 307 -9.097 3.660 -3.392 1.00 0.00 C ATOM 271 O SER A 307 -9.800 4.477 -3.986 1.00 0.00 O ATOM 272 CB SER A 307 -9.747 1.436 -2.457 1.00 0.00 C ATOM 273 OG SER A 307 -10.852 2.124 -1.896 1.00 0.00 O ATOM 0 H SER A 307 -7.187 1.690 -3.365 1.00 0.00 H new ATOM 0 HA SER A 307 -9.895 2.037 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 307 -10.048 0.427 -2.738 1.00 0.00 H new ATOM 0 HB3 SER A 307 -8.959 1.338 -1.711 1.00 0.00 H new ATOM 0 HG SER A 307 -11.181 1.633 -1.114 1.00 0.00 H new ATOM 279 N CYS A 308 -8.222 3.999 -2.460 1.00 0.00 N ATOM 280 CA CYS A 308 -8.024 5.386 -2.064 1.00 0.00 C ATOM 281 C CYS A 308 -6.837 6.033 -2.787 1.00 0.00 C ATOM 282 O CYS A 308 -6.667 7.251 -2.736 1.00 0.00 O ATOM 283 CB CYS A 308 -7.839 5.456 -0.549 1.00 0.00 C ATOM 284 SG CYS A 308 -6.211 4.933 0.034 1.00 0.00 S ATOM 0 H CYS A 308 -7.635 3.331 -1.961 1.00 0.00 H new ATOM 0 HA CYS A 308 -8.910 5.952 -2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -8.016 6.480 -0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.598 4.834 -0.074 1.00 0.00 H new ATOM 290 N ASN A 309 -6.021 5.223 -3.457 1.00 0.00 N ATOM 291 CA ASN A 309 -4.863 5.742 -4.181 1.00 0.00 C ATOM 292 C ASN A 309 -3.898 6.466 -3.238 1.00 0.00 C ATOM 293 O ASN A 309 -3.720 7.681 -3.323 1.00 0.00 O ATOM 294 CB ASN A 309 -5.320 6.685 -5.299 1.00 0.00 C ATOM 295 CG ASN A 309 -4.870 6.216 -6.669 1.00 0.00 C ATOM 296 OD1 ASN A 309 -4.209 6.950 -7.403 1.00 0.00 O ATOM 297 ND2 ASN A 309 -5.228 4.987 -7.021 1.00 0.00 N ATOM 0 H ASN A 309 -6.139 4.211 -3.514 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.332 4.898 -4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.407 6.763 -5.283 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.926 7.684 -5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -4.955 4.617 -7.931 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -5.776 4.413 -6.381 1.00 0.00 H new ATOM 304 N GLU A 310 -3.274 5.706 -2.342 1.00 0.00 N ATOM 305 CA GLU A 310 -2.324 6.264 -1.386 1.00 0.00 C ATOM 306 C GLU A 310 -0.966 5.585 -1.517 1.00 0.00 C ATOM 307 O GLU A 310 -0.860 4.487 -2.062 1.00 0.00 O ATOM 308 CB GLU A 310 -2.847 6.090 0.039 1.00 0.00 C ATOM 309 CG GLU A 310 -2.372 7.159 1.009 1.00 0.00 C ATOM 310 CD GLU A 310 -3.370 8.290 1.163 1.00 0.00 C ATOM 311 OE1 GLU A 310 -3.561 9.050 0.191 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.961 8.416 2.255 1.00 0.00 O ATOM 0 H GLU A 310 -3.410 4.699 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.208 7.326 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -3.937 6.092 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.538 5.113 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.189 6.705 1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.421 7.563 0.662 1.00 0.00 H new ATOM 319 N MET A 311 0.068 6.241 -1.006 1.00 0.00 N ATOM 320 CA MET A 311 1.419 5.696 -1.057 1.00 0.00 C ATOM 321 C MET A 311 1.695 4.843 0.175 1.00 0.00 C ATOM 322 O MET A 311 1.954 5.365 1.259 1.00 0.00 O ATOM 323 CB MET A 311 2.447 6.825 -1.154 1.00 0.00 C ATOM 324 CG MET A 311 2.425 7.556 -2.487 1.00 0.00 C ATOM 325 SD MET A 311 2.665 6.452 -3.892 1.00 0.00 S ATOM 326 CE MET A 311 4.285 5.781 -3.527 1.00 0.00 C ATOM 0 H MET A 311 -0.003 7.151 -0.551 1.00 0.00 H new ATOM 0 HA MET A 311 1.503 5.068 -1.944 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.264 7.541 -0.353 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.443 6.413 -0.992 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.472 8.074 -2.596 1.00 0.00 H new ATOM 0 HG3 MET A 311 3.205 8.318 -2.492 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.360 4.771 -3.931 1.00 0.00 H new ATOM 0 HE2 MET A 311 5.050 6.411 -3.980 1.00 0.00 H new ATOM 0 HE3 MET A 311 4.432 5.752 -2.447 1.00 0.00 H new ATOM 336 N ASN A 312 1.628 3.527 0.004 1.00 0.00 N ATOM 337 CA ASN A 312 1.859 2.602 1.107 1.00 0.00 C ATOM 338 C ASN A 312 3.141 1.799 0.899 1.00 0.00 C ATOM 339 O ASN A 312 3.410 1.320 -0.203 1.00 0.00 O ATOM 340 CB ASN A 312 0.673 1.648 1.248 1.00 0.00 C ATOM 341 CG ASN A 312 -0.621 2.375 1.554 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.766 2.990 2.612 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.571 2.309 0.628 1.00 0.00 N ATOM 0 H ASN A 312 1.416 3.078 -0.887 1.00 0.00 H new ATOM 0 HA ASN A 312 1.967 3.189 2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.557 1.078 0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 312 0.880 0.931 2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -2.464 2.779 0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -1.408 1.788 -0.234 1.00 0.00 H new ATOM 350 N PRO A 313 3.951 1.633 1.961 1.00 0.00 N ATOM 351 CA PRO A 313 5.204 0.875 1.886 1.00 0.00 C ATOM 352 C PRO A 313 4.964 -0.609 1.626 1.00 0.00 C ATOM 353 O PRO A 313 3.860 -1.113 1.834 1.00 0.00 O ATOM 354 CB PRO A 313 5.833 1.077 3.267 1.00 0.00 C ATOM 355 CG PRO A 313 4.692 1.408 4.164 1.00 0.00 C ATOM 356 CD PRO A 313 3.709 2.164 3.315 1.00 0.00 C ATOM 0 HA PRO A 313 5.835 1.215 1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.350 0.177 3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.569 1.880 3.252 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.241 0.504 4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 313 5.022 2.010 5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.682 1.991 3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.881 3.239 3.362 1.00 0.00 H new ATOM 364 N PRO A 314 6.001 -1.331 1.172 1.00 0.00 N ATOM 365 CA PRO A 314 5.898 -2.766 0.890 1.00 0.00 C ATOM 366 C PRO A 314 5.484 -3.562 2.124 1.00 0.00 C ATOM 367 O PRO A 314 4.797 -4.578 2.019 1.00 0.00 O ATOM 368 CB PRO A 314 7.315 -3.157 0.449 1.00 0.00 C ATOM 369 CG PRO A 314 8.196 -2.053 0.930 1.00 0.00 C ATOM 370 CD PRO A 314 7.352 -0.813 0.904 1.00 0.00 C ATOM 0 HA PRO A 314 5.138 -2.979 0.139 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.611 -4.113 0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.374 -3.264 -0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.562 -2.256 1.937 1.00 0.00 H new ATOM 0 HG3 PRO A 314 9.071 -1.944 0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.667 -0.094 1.660 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.407 -0.307 -0.060 1.00 0.00 H new ATOM 378 N LEU A 315 5.906 -3.088 3.291 1.00 0.00 N ATOM 379 CA LEU A 315 5.579 -3.749 4.550 1.00 0.00 C ATOM 380 C LEU A 315 5.151 -2.725 5.603 1.00 0.00 C ATOM 381 O LEU A 315 5.942 -1.866 5.994 1.00 0.00 O ATOM 382 CB LEU A 315 6.783 -4.545 5.058 1.00 0.00 C ATOM 383 CG LEU A 315 7.121 -5.797 4.246 1.00 0.00 C ATOM 384 CD1 LEU A 315 8.620 -6.048 4.250 1.00 0.00 C ATOM 385 CD2 LEU A 315 6.373 -7.003 4.794 1.00 0.00 C ATOM 0 H LEU A 315 6.476 -2.248 3.392 1.00 0.00 H new ATOM 0 HA LEU A 315 4.749 -4.433 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 315 7.654 -3.890 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 315 6.595 -4.840 6.090 1.00 0.00 H new ATOM 0 HG LEU A 315 6.805 -5.636 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 315 8.841 -6.942 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 315 9.133 -5.193 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 315 8.963 -6.189 5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 315 6.624 -7.885 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 315 6.658 -7.167 5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 315 5.300 -6.822 4.737 1.00 0.00 H new ATOM 397 N PRO A 316 3.892 -2.795 6.082 1.00 0.00 N ATOM 398 CA PRO A 316 2.909 -3.797 5.652 1.00 0.00 C ATOM 399 C PRO A 316 2.433 -3.555 4.224 1.00 0.00 C ATOM 400 O PRO A 316 2.582 -2.458 3.687 1.00 0.00 O ATOM 401 CB PRO A 316 1.744 -3.622 6.640 1.00 0.00 C ATOM 402 CG PRO A 316 2.269 -2.743 7.727 1.00 0.00 C ATOM 403 CD PRO A 316 3.326 -1.892 7.089 1.00 0.00 C ATOM 0 HA PRO A 316 3.330 -4.802 5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.881 -3.169 6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.418 -4.584 7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.475 -2.128 8.151 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.683 -3.335 8.543 1.00 0.00 H new ATOM 0 HD2 PRO A 316 2.906 -0.993 6.638 1.00 0.00 H new ATOM 0 HD3 PRO A 316 4.076 -1.567 7.810 1.00 0.00 H new ATOM 411 N SER A 317 1.860 -4.587 3.614 1.00 0.00 N ATOM 412 CA SER A 317 1.363 -4.484 2.247 1.00 0.00 C ATOM 413 C SER A 317 -0.118 -4.116 2.226 1.00 0.00 C ATOM 414 O SER A 317 -0.880 -4.620 1.399 1.00 0.00 O ATOM 415 CB SER A 317 1.585 -5.802 1.503 1.00 0.00 C ATOM 416 OG SER A 317 2.848 -5.820 0.862 1.00 0.00 O ATOM 0 H SER A 317 1.728 -5.503 4.044 1.00 0.00 H new ATOM 0 HA SER A 317 1.918 -3.692 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 317 1.518 -6.634 2.204 1.00 0.00 H new ATOM 0 HB3 SER A 317 0.797 -5.943 0.764 1.00 0.00 H new ATOM 0 HG SER A 317 3.474 -5.250 1.356 1.00 0.00 H new ATOM 422 N HIS A 318 -0.523 -3.233 3.136 1.00 0.00 N ATOM 423 CA HIS A 318 -1.914 -2.803 3.210 1.00 0.00 C ATOM 424 C HIS A 318 -2.013 -1.333 3.609 1.00 0.00 C ATOM 425 O HIS A 318 -1.209 -0.839 4.398 1.00 0.00 O ATOM 426 CB HIS A 318 -2.688 -3.677 4.200 1.00 0.00 C ATOM 427 CG HIS A 318 -2.297 -3.467 5.630 1.00 0.00 C ATOM 428 ND1 HIS A 318 -1.230 -4.108 6.222 1.00 0.00 N ATOM 429 CD2 HIS A 318 -2.842 -2.685 6.589 1.00 0.00 C ATOM 430 CE1 HIS A 318 -1.137 -3.730 7.484 1.00 0.00 C ATOM 431 NE2 HIS A 318 -2.104 -2.866 7.732 1.00 0.00 N ATOM 0 H HIS A 318 0.090 -2.804 3.829 1.00 0.00 H new ATOM 0 HA HIS A 318 -2.357 -2.915 2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -3.754 -3.475 4.092 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -2.534 -4.725 3.942 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -3.699 -2.038 6.476 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -0.396 -4.070 8.193 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -2.275 -2.408 8.627 1.00 0.00 H new ATOM 440 N CYS A 319 -3.002 -0.641 3.053 1.00 0.00 N ATOM 441 CA CYS A 319 -3.204 0.775 3.349 1.00 0.00 C ATOM 442 C CYS A 319 -3.606 0.979 4.805 1.00 0.00 C ATOM 443 O CYS A 319 -4.629 0.462 5.256 1.00 0.00 O ATOM 444 CB CYS A 319 -4.271 1.367 2.427 1.00 0.00 C ATOM 445 SG CYS A 319 -4.382 3.170 2.501 1.00 0.00 S ATOM 0 H CYS A 319 -3.675 -1.036 2.396 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.259 1.290 3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.058 1.067 1.401 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.240 0.942 2.688 1.00 0.00 H new ATOM 450 N ASN A 320 -2.796 1.736 5.537 1.00 0.00 N ATOM 451 CA ASN A 320 -3.065 2.008 6.946 1.00 0.00 C ATOM 452 C ASN A 320 -4.158 3.063 7.119 1.00 0.00 C ATOM 453 O ASN A 320 -4.541 3.387 8.244 1.00 0.00 O ATOM 454 CB ASN A 320 -1.786 2.466 7.647 1.00 0.00 C ATOM 455 CG ASN A 320 -0.742 1.369 7.723 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.605 0.697 8.745 1.00 0.00 O ATOM 457 ND2 ASN A 320 -0.002 1.181 6.637 1.00 0.00 N ATOM 0 H ASN A 320 -1.947 2.173 5.179 1.00 0.00 H new ATOM 0 HA ASN A 320 -3.418 1.082 7.400 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -1.371 3.322 7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -2.028 2.803 8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 320 0.715 0.456 6.628 1.00 0.00 H new ATOM 0 HD22 ASN A 320 -0.150 1.762 5.812 1.00 0.00 H new ATOM 464 N ARG A 321 -4.656 3.599 6.009 1.00 0.00 N ATOM 465 CA ARG A 321 -5.699 4.616 6.057 1.00 0.00 C ATOM 466 C ARG A 321 -7.079 4.002 5.834 1.00 0.00 C ATOM 467 O ARG A 321 -7.967 4.125 6.679 1.00 0.00 O ATOM 468 CB ARG A 321 -5.431 5.700 5.009 1.00 0.00 C ATOM 469 CG ARG A 321 -5.250 7.087 5.604 1.00 0.00 C ATOM 470 CD ARG A 321 -5.512 8.177 4.575 1.00 0.00 C ATOM 471 NE ARG A 321 -6.731 8.926 4.870 1.00 0.00 N ATOM 472 CZ ARG A 321 -7.009 10.122 4.355 1.00 0.00 C ATOM 473 NH1 ARG A 321 -6.159 10.705 3.519 1.00 0.00 N ATOM 474 NH2 ARG A 321 -8.139 10.735 4.675 1.00 0.00 N ATOM 0 H ARG A 321 -4.355 3.346 5.068 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.684 5.067 7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -4.536 5.436 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.259 5.722 4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -5.928 7.213 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -4.236 7.188 5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -4.664 8.861 4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -5.592 7.729 3.585 1.00 0.00 H new ATOM 0 HE ARG A 321 -7.409 8.508 5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -5.288 10.237 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -6.377 11.621 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -8.796 10.291 5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -8.352 11.651 4.280 1.00 0.00 H new ATOM 488 N CYS A 322 -7.257 3.349 4.690 1.00 0.00 N ATOM 489 CA CYS A 322 -8.533 2.725 4.358 1.00 0.00 C ATOM 490 C CYS A 322 -8.529 1.229 4.671 1.00 0.00 C ATOM 491 O CYS A 322 -9.587 0.626 4.855 1.00 0.00 O ATOM 492 CB CYS A 322 -8.869 2.959 2.878 1.00 0.00 C ATOM 493 SG CYS A 322 -8.034 1.839 1.727 1.00 0.00 S ATOM 0 H CYS A 322 -6.535 3.238 3.978 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.300 3.190 4.977 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -9.946 2.859 2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -8.609 3.985 2.618 1.00 0.00 H new ATOM 498 N TRP A 323 -7.341 0.629 4.722 1.00 0.00 N ATOM 499 CA TRP A 323 -7.220 -0.799 5.005 1.00 0.00 C ATOM 500 C TRP A 323 -7.777 -1.626 3.848 1.00 0.00 C ATOM 501 O TRP A 323 -8.538 -2.572 4.054 1.00 0.00 O ATOM 502 CB TRP A 323 -7.948 -1.150 6.307 1.00 0.00 C ATOM 503 CG TRP A 323 -7.108 -1.947 7.257 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.435 -1.477 8.349 1.00 0.00 C ATOM 505 CD2 TRP A 323 -6.851 -3.355 7.202 1.00 0.00 C ATOM 506 NE1 TRP A 323 -5.774 -2.507 8.974 1.00 0.00 N ATOM 507 CE2 TRP A 323 -6.013 -3.670 8.289 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.246 -4.380 6.337 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.566 -4.965 8.534 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -6.802 -5.666 6.582 1.00 0.00 C ATOM 511 CH2 TRP A 323 -5.969 -5.948 7.672 1.00 0.00 C ATOM 0 H TRP A 323 -6.453 1.107 4.572 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.163 -1.036 5.121 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.266 -0.230 6.797 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.851 -1.713 6.070 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.424 -0.447 8.674 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.199 -2.420 9.812 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -7.886 -4.171 5.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -4.924 -5.186 9.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.102 -6.466 5.922 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -5.638 -6.963 7.836 1.00 0.00 H new ATOM 522 N ALA A 324 -7.391 -1.262 2.628 1.00 0.00 N ATOM 523 CA ALA A 324 -7.849 -1.969 1.437 1.00 0.00 C ATOM 524 C ALA A 324 -7.015 -3.220 1.185 1.00 0.00 C ATOM 525 O ALA A 324 -7.496 -4.191 0.602 1.00 0.00 O ATOM 526 CB ALA A 324 -7.802 -1.049 0.226 1.00 0.00 C ATOM 0 H ALA A 324 -6.762 -0.481 2.439 1.00 0.00 H new ATOM 0 HA ALA A 324 -8.880 -2.280 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -8.146 -1.590 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.447 -0.188 0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.779 -0.710 0.066 1.00 0.00 H new ATOM 532 N LEU A 325 -5.760 -3.189 1.625 1.00 0.00 N ATOM 533 CA LEU A 325 -4.858 -4.323 1.446 1.00 0.00 C ATOM 534 C LEU A 325 -4.548 -4.543 -0.031 1.00 0.00 C ATOM 535 O LEU A 325 -5.401 -4.334 -0.894 1.00 0.00 O ATOM 536 CB LEU A 325 -5.468 -5.590 2.052 1.00 0.00 C ATOM 537 CG LEU A 325 -4.754 -6.117 3.296 1.00 0.00 C ATOM 538 CD1 LEU A 325 -5.623 -7.130 4.024 1.00 0.00 C ATOM 539 CD2 LEU A 325 -3.416 -6.732 2.917 1.00 0.00 C ATOM 0 H LEU A 325 -5.345 -2.392 2.108 1.00 0.00 H new ATOM 0 HA LEU A 325 -3.925 -4.099 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.509 -5.389 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -5.471 -6.373 1.294 1.00 0.00 H new ATOM 0 HG LEU A 325 -4.571 -5.280 3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -5.097 -7.493 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -6.557 -6.657 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -5.839 -7.967 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -2.919 -7.103 3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -3.578 -7.558 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -2.790 -5.977 2.441 1.00 0.00 H new ATOM 551 N ARG A 326 -3.318 -4.965 -0.316 1.00 0.00 N ATOM 552 CA ARG A 326 -2.893 -5.213 -1.690 1.00 0.00 C ATOM 553 C ARG A 326 -3.831 -6.194 -2.386 1.00 0.00 C ATOM 554 O ARG A 326 -4.459 -7.035 -1.740 1.00 0.00 O ATOM 555 CB ARG A 326 -1.462 -5.757 -1.712 1.00 0.00 C ATOM 556 CG ARG A 326 -0.401 -4.671 -1.788 1.00 0.00 C ATOM 557 CD ARG A 326 0.999 -5.251 -1.657 1.00 0.00 C ATOM 558 NE ARG A 326 1.659 -5.388 -2.952 1.00 0.00 N ATOM 559 CZ ARG A 326 2.712 -6.174 -3.167 1.00 0.00 C ATOM 560 NH1 ARG A 326 3.227 -6.892 -2.177 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.251 -6.243 -4.377 1.00 0.00 N ATOM 0 H ARG A 326 -2.599 -5.142 0.386 1.00 0.00 H new ATOM 0 HA ARG A 326 -2.926 -4.266 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -1.295 -6.355 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -1.349 -6.425 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -0.489 -4.140 -2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -0.569 -3.940 -0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 326 1.598 -4.609 -1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.943 -6.226 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 326 1.292 -4.851 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 326 2.816 -6.844 -1.245 1.00 0.00 H new ATOM 0 HH12 ARG A 326 4.034 -7.492 -2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 326 2.859 -5.694 -5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.058 -6.845 -4.542 1.00 0.00 H new ATOM 575 N GLU A 327 -3.924 -6.082 -3.707 1.00 0.00 N ATOM 576 CA GLU A 327 -4.786 -6.957 -4.492 1.00 0.00 C ATOM 577 C GLU A 327 -4.204 -8.363 -4.579 1.00 0.00 C ATOM 578 O GLU A 327 -4.939 -9.347 -4.660 1.00 0.00 O ATOM 579 CB GLU A 327 -4.982 -6.386 -5.898 1.00 0.00 C ATOM 580 CG GLU A 327 -6.180 -6.969 -6.630 1.00 0.00 C ATOM 581 CD GLU A 327 -5.778 -7.903 -7.756 1.00 0.00 C ATOM 582 OE1 GLU A 327 -4.752 -7.632 -8.414 1.00 0.00 O ATOM 583 OE2 GLU A 327 -6.491 -8.904 -7.979 1.00 0.00 O ATOM 0 H GLU A 327 -3.412 -5.392 -4.257 1.00 0.00 H new ATOM 0 HA GLU A 327 -5.753 -7.015 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -5.100 -5.305 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -4.083 -6.571 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -6.807 -7.510 -5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -6.784 -6.157 -7.035 1.00 0.00 H new ATOM 590 N ASN A 328 -2.877 -8.452 -4.561 1.00 0.00 N ATOM 591 CA ASN A 328 -2.196 -9.740 -4.638 1.00 0.00 C ATOM 592 C ASN A 328 -0.824 -9.672 -3.976 1.00 0.00 C ATOM 593 O ASN A 328 0.114 -9.097 -4.526 1.00 0.00 O ATOM 594 CB ASN A 328 -2.050 -10.175 -6.098 1.00 0.00 C ATOM 595 CG ASN A 328 -3.338 -10.738 -6.666 1.00 0.00 C ATOM 596 OD1 ASN A 328 -3.851 -10.249 -7.673 1.00 0.00 O ATOM 597 ND2 ASN A 328 -3.868 -11.770 -6.021 1.00 0.00 N ATOM 0 H ASN A 328 -2.253 -7.648 -4.494 1.00 0.00 H new ATOM 0 HA ASN A 328 -2.799 -10.474 -4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -1.734 -9.322 -6.698 1.00 0.00 H new ATOM 0 HB3 ASN A 328 -1.264 -10.926 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 328 -4.735 -12.190 -6.356 1.00 0.00 H new ATOM 0 HD22 ASN A 328 -3.408 -12.143 -5.190 1.00 0.00 H new ATOM 604 N TRP A 329 -0.715 -10.264 -2.790 1.00 0.00 N ATOM 605 CA TRP A 329 0.545 -10.271 -2.052 1.00 0.00 C ATOM 606 C TRP A 329 0.960 -11.695 -1.701 1.00 0.00 C ATOM 607 O TRP A 329 2.123 -12.070 -1.848 1.00 0.00 O ATOM 608 CB TRP A 329 0.434 -9.431 -0.775 1.00 0.00 C ATOM 609 CG TRP A 329 -0.941 -9.410 -0.182 1.00 0.00 C ATOM 610 CD1 TRP A 329 -2.072 -8.912 -0.760 1.00 0.00 C ATOM 611 CD2 TRP A 329 -1.330 -9.906 1.103 1.00 0.00 C ATOM 612 NE1 TRP A 329 -3.141 -9.071 0.084 1.00 0.00 N ATOM 613 CE2 TRP A 329 -2.712 -9.679 1.236 1.00 0.00 C ATOM 614 CE3 TRP A 329 -0.645 -10.523 2.154 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -3.422 -10.045 2.377 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -1.350 -10.885 3.287 1.00 0.00 C ATOM 617 CH2 TRP A 329 -2.726 -10.646 3.390 1.00 0.00 C ATOM 0 H TRP A 329 -1.482 -10.744 -2.320 1.00 0.00 H new ATOM 0 HA TRP A 329 1.308 -9.832 -2.695 1.00 0.00 H new ATOM 0 HB2 TRP A 329 1.133 -9.819 -0.034 1.00 0.00 H new ATOM 0 HB3 TRP A 329 0.740 -8.408 -0.996 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -2.119 -8.459 -1.739 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -4.100 -8.784 -0.113 1.00 0.00 H new ATOM 0 HE3 TRP A 329 0.416 -10.713 2.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -4.483 -9.861 2.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -0.831 -11.360 4.106 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -3.249 -10.942 4.288 1.00 0.00 H new ATOM 628 N LEU A 330 -0.002 -12.484 -1.236 1.00 0.00 N ATOM 629 CA LEU A 330 0.257 -13.869 -0.863 1.00 0.00 C ATOM 630 C LEU A 330 0.544 -14.721 -2.096 1.00 0.00 C ATOM 631 O LEU A 330 0.103 -14.399 -3.199 1.00 0.00 O ATOM 632 CB LEU A 330 -0.936 -14.445 -0.097 1.00 0.00 C ATOM 633 CG LEU A 330 -1.305 -13.693 1.186 1.00 0.00 C ATOM 634 CD1 LEU A 330 -2.728 -13.161 1.105 1.00 0.00 C ATOM 635 CD2 LEU A 330 -1.141 -14.594 2.401 1.00 0.00 C ATOM 0 H LEU A 330 -0.970 -12.187 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 330 1.136 -13.887 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 330 -1.803 -14.454 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 330 -0.719 -15.482 0.157 1.00 0.00 H new ATOM 0 HG LEU A 330 -0.627 -12.846 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -2.971 -12.630 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -2.814 -12.479 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -3.420 -13.992 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 330 -1.408 -14.042 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 330 -1.793 -15.462 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 330 -0.105 -14.925 2.472 1.00 0.00 H new ATOM 647 N PRO A 331 1.290 -15.827 -1.924 1.00 0.00 N ATOM 648 CA PRO A 331 1.634 -16.727 -3.030 1.00 0.00 C ATOM 649 C PRO A 331 0.413 -17.453 -3.585 1.00 0.00 C ATOM 650 O PRO A 331 0.236 -17.551 -4.799 1.00 0.00 O ATOM 651 CB PRO A 331 2.606 -17.724 -2.394 1.00 0.00 C ATOM 652 CG PRO A 331 2.287 -17.694 -0.940 1.00 0.00 C ATOM 653 CD PRO A 331 1.856 -16.285 -0.642 1.00 0.00 C ATOM 0 HA PRO A 331 2.055 -16.186 -3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 331 2.473 -18.724 -2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 331 3.642 -17.438 -2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 331 1.496 -18.404 -0.699 1.00 0.00 H new ATOM 0 HG3 PRO A 331 3.156 -17.971 -0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 331 1.118 -16.251 0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 331 2.696 -15.665 -0.328 1.00 0.00 H new ATOM 661 N GLU A 332 -0.426 -17.960 -2.688 1.00 0.00 N ATOM 662 CA GLU A 332 -1.631 -18.678 -3.088 1.00 0.00 C ATOM 663 C GLU A 332 -2.875 -18.026 -2.493 1.00 0.00 C ATOM 664 O GLU A 332 -2.849 -17.525 -1.368 1.00 0.00 O ATOM 665 CB GLU A 332 -1.547 -20.140 -2.649 1.00 0.00 C ATOM 666 CG GLU A 332 -0.566 -20.964 -3.466 1.00 0.00 C ATOM 667 CD GLU A 332 -0.604 -22.438 -3.111 1.00 0.00 C ATOM 668 OE1 GLU A 332 -0.332 -22.772 -1.938 1.00 0.00 O ATOM 669 OE2 GLU A 332 -0.904 -23.257 -4.004 1.00 0.00 O ATOM 0 H GLU A 332 -0.294 -17.887 -1.679 1.00 0.00 H new ATOM 0 HA GLU A 332 -1.706 -18.636 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -1.256 -20.179 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -2.537 -20.590 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -0.791 -20.844 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 332 0.443 -20.582 -3.309 1.00 0.00 H new ATOM 676 N ASP A 333 -3.964 -18.036 -3.255 1.00 0.00 N ATOM 677 CA ASP A 333 -5.218 -17.446 -2.803 1.00 0.00 C ATOM 678 C ASP A 333 -5.769 -18.197 -1.595 1.00 0.00 C ATOM 679 O ASP A 333 -6.419 -17.610 -0.730 1.00 0.00 O ATOM 680 CB ASP A 333 -6.245 -17.450 -3.938 1.00 0.00 C ATOM 681 CG ASP A 333 -6.763 -16.061 -4.257 1.00 0.00 C ATOM 682 OD1 ASP A 333 -7.731 -15.624 -3.600 1.00 0.00 O ATOM 683 OD2 ASP A 333 -6.199 -15.410 -5.161 1.00 0.00 O ATOM 0 H ASP A 333 -4.003 -18.446 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 333 -5.021 -16.416 -2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 333 -5.792 -17.880 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 333 -7.082 -18.092 -3.664 1.00 0.00 H new ATOM 688 N LYS A 334 -5.506 -19.498 -1.543 1.00 0.00 N ATOM 689 CA LYS A 334 -5.974 -20.331 -0.440 1.00 0.00 C ATOM 690 C LYS A 334 -4.801 -20.980 0.287 1.00 0.00 C ATOM 691 O LYS A 334 -4.123 -21.851 -0.260 1.00 0.00 O ATOM 692 CB LYS A 334 -6.932 -21.407 -0.957 1.00 0.00 C ATOM 693 CG LYS A 334 -8.387 -21.147 -0.603 1.00 0.00 C ATOM 694 CD LYS A 334 -8.725 -21.671 0.784 1.00 0.00 C ATOM 695 CE LYS A 334 -10.185 -22.085 0.884 1.00 0.00 C ATOM 696 NZ LYS A 334 -10.335 -23.557 1.052 1.00 0.00 N ATOM 0 H LYS A 334 -4.971 -19.999 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 334 -6.505 -19.693 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -6.837 -21.476 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -6.634 -22.373 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -8.588 -20.077 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -9.033 -21.623 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -8.087 -22.524 1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -8.512 -20.902 1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -10.650 -21.574 1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -10.715 -21.766 -0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -11.345 -23.798 1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -9.914 -24.044 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -9.851 -23.858 1.922 1.00 0.00 H new ATOM 710 N GLY A 335 -4.566 -20.552 1.523 1.00 0.00 N ATOM 711 CA GLY A 335 -3.475 -21.102 2.304 1.00 0.00 C ATOM 712 C GLY A 335 -2.842 -20.074 3.221 1.00 0.00 C ATOM 713 O GLY A 335 -3.433 -18.989 3.395 1.00 0.00 O ATOM 714 OXT GLY A 335 -1.754 -20.355 3.766 1.00 0.00 O ATOM 0 H GLY A 335 -5.113 -19.833 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -3.844 -21.937 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -2.716 -21.501 1.631 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.058 2.876 0.998 1.00 0.00 ZN