USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=9 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 Set 1.1: A 312 ASN : amide:sc= -1.2 K(o=-1.1,f=-6.8!) USER MOD Set 1.2: A 320 ASN : amide:sc= 0.0944 X(o=-1.1,f=-1.3) USER MOD Set 2.1: A 304 LYS NZ :NH3+ 151:sc= 0.0335 (180deg=0) USER MOD Set 2.2: A 309 ASN : amide:sc= -1 X(o=-0.97,f=-1.1) USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 180:sc= -0.515 USER MOD Single : A 302 TYR OH : rot 180:sc= 0 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 311 MET CE :methyl 177:sc= -4.4! (180deg=-4.55!) USER MOD Single : A 317 SER OG : rot -172:sc= 1.11 USER MOD Single : A 318 HIS :FLIP no HD1:sc= -11.5! C(o=-13!,f=-12!) USER MOD Single : A 328 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.34) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 20.194 9.848 7.505 1.00 0.00 N ATOM 2 CA SER A 290 20.110 10.963 8.484 1.00 0.00 C ATOM 3 C SER A 290 19.696 10.455 9.862 1.00 0.00 C ATOM 4 O SER A 290 19.419 9.269 10.039 1.00 0.00 O ATOM 5 CB SER A 290 19.095 11.986 7.973 1.00 0.00 C ATOM 6 OG SER A 290 19.665 12.815 6.975 1.00 0.00 O ATOM 0 HA SER A 290 21.092 11.426 8.584 1.00 0.00 H new ATOM 0 HB2 SER A 290 18.225 11.469 7.568 1.00 0.00 H new ATOM 0 HB3 SER A 290 18.743 12.599 8.802 1.00 0.00 H new ATOM 0 HG SER A 290 18.996 13.459 6.663 1.00 0.00 H new ATOM 14 N PHE A 291 19.657 11.361 10.833 1.00 0.00 N ATOM 15 CA PHE A 291 19.275 11.005 12.195 1.00 0.00 C ATOM 16 C PHE A 291 17.762 10.865 12.316 1.00 0.00 C ATOM 17 O PHE A 291 17.010 11.448 11.536 1.00 0.00 O ATOM 18 CB PHE A 291 19.782 12.060 13.181 1.00 0.00 C ATOM 19 CG PHE A 291 19.700 11.627 14.617 1.00 0.00 C ATOM 20 CD1 PHE A 291 20.684 10.823 15.170 1.00 0.00 C ATOM 21 CD2 PHE A 291 18.639 12.024 15.415 1.00 0.00 C ATOM 22 CE1 PHE A 291 20.611 10.424 16.492 1.00 0.00 C ATOM 23 CE2 PHE A 291 18.560 11.628 16.736 1.00 0.00 C ATOM 24 CZ PHE A 291 19.548 10.828 17.275 1.00 0.00 C ATOM 0 H PHE A 291 19.885 12.347 10.703 1.00 0.00 H new ATOM 0 HA PHE A 291 19.731 10.044 12.435 1.00 0.00 H new ATOM 0 HB2 PHE A 291 20.817 12.302 12.941 1.00 0.00 H new ATOM 0 HB3 PHE A 291 19.203 12.974 13.052 1.00 0.00 H new ATOM 0 HD1 PHE A 291 21.517 10.504 14.561 1.00 0.00 H new ATOM 0 HD2 PHE A 291 17.864 12.651 14.999 1.00 0.00 H new ATOM 0 HE1 PHE A 291 21.384 9.797 16.911 1.00 0.00 H new ATOM 0 HE2 PHE A 291 17.727 11.944 17.346 1.00 0.00 H new ATOM 0 HZ PHE A 291 19.489 10.519 18.308 1.00 0.00 H new ATOM 34 N GLU A 292 17.322 10.087 13.300 1.00 0.00 N ATOM 35 CA GLU A 292 15.897 9.870 13.523 1.00 0.00 C ATOM 36 C GLU A 292 15.248 9.223 12.302 1.00 0.00 C ATOM 37 O GLU A 292 14.185 9.651 11.850 1.00 0.00 O ATOM 38 CB GLU A 292 15.204 11.194 13.847 1.00 0.00 C ATOM 39 CG GLU A 292 14.134 11.073 14.919 1.00 0.00 C ATOM 40 CD GLU A 292 12.914 11.923 14.623 1.00 0.00 C ATOM 41 OE1 GLU A 292 12.414 11.867 13.480 1.00 0.00 O ATOM 42 OE2 GLU A 292 12.459 12.647 15.534 1.00 0.00 O ATOM 0 H GLU A 292 17.931 9.597 13.955 1.00 0.00 H new ATOM 0 HA GLU A 292 15.784 9.194 14.371 1.00 0.00 H new ATOM 0 HB2 GLU A 292 15.953 11.916 14.172 1.00 0.00 H new ATOM 0 HB3 GLU A 292 14.752 11.590 12.938 1.00 0.00 H new ATOM 0 HG2 GLU A 292 13.832 10.030 15.010 1.00 0.00 H new ATOM 0 HG3 GLU A 292 14.553 11.368 15.881 1.00 0.00 H new ATOM 49 N GLU A 293 15.894 8.188 11.776 1.00 0.00 N ATOM 50 CA GLU A 293 15.385 7.480 10.614 1.00 0.00 C ATOM 51 C GLU A 293 15.724 5.995 10.691 1.00 0.00 C ATOM 52 O GLU A 293 16.796 5.616 11.162 1.00 0.00 O ATOM 53 CB GLU A 293 15.954 8.080 9.326 1.00 0.00 C ATOM 54 CG GLU A 293 15.697 9.571 9.178 1.00 0.00 C ATOM 55 CD GLU A 293 14.244 9.888 8.882 1.00 0.00 C ATOM 56 OE1 GLU A 293 13.360 9.287 9.529 1.00 0.00 O ATOM 57 OE2 GLU A 293 13.989 10.738 8.003 1.00 0.00 O ATOM 0 H GLU A 293 16.774 7.822 12.140 1.00 0.00 H new ATOM 0 HA GLU A 293 14.300 7.588 10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 293 17.029 7.901 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 293 15.521 7.560 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 293 15.996 10.080 10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 293 16.321 9.965 8.376 1.00 0.00 H new ATOM 64 N ASP A 294 14.802 5.158 10.226 1.00 0.00 N ATOM 65 CA ASP A 294 15.004 3.713 10.244 1.00 0.00 C ATOM 66 C ASP A 294 14.930 3.134 8.832 1.00 0.00 C ATOM 67 O ASP A 294 13.867 2.705 8.384 1.00 0.00 O ATOM 68 CB ASP A 294 13.960 3.043 11.142 1.00 0.00 C ATOM 69 CG ASP A 294 14.592 2.231 12.255 1.00 0.00 C ATOM 70 OD1 ASP A 294 15.702 2.593 12.698 1.00 0.00 O ATOM 71 OD2 ASP A 294 13.977 1.232 12.684 1.00 0.00 O ATOM 0 H ASP A 294 13.909 5.455 9.833 1.00 0.00 H new ATOM 0 HA ASP A 294 15.998 3.514 10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 294 13.313 3.806 11.575 1.00 0.00 H new ATOM 0 HB3 ASP A 294 13.327 2.394 10.537 1.00 0.00 H new ATOM 76 N PRO A 295 16.065 3.111 8.111 1.00 0.00 N ATOM 77 CA PRO A 295 16.122 2.578 6.747 1.00 0.00 C ATOM 78 C PRO A 295 15.967 1.062 6.715 1.00 0.00 C ATOM 79 O PRO A 295 16.954 0.327 6.702 1.00 0.00 O ATOM 80 CB PRO A 295 17.517 2.983 6.265 1.00 0.00 C ATOM 81 CG PRO A 295 18.324 3.108 7.509 1.00 0.00 C ATOM 82 CD PRO A 295 17.379 3.600 8.571 1.00 0.00 C ATOM 0 HA PRO A 295 15.314 2.962 6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 295 17.937 2.234 5.594 1.00 0.00 H new ATOM 0 HB3 PRO A 295 17.489 3.924 5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 295 18.760 2.149 7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 295 19.150 3.805 7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 295 17.635 3.202 9.553 1.00 0.00 H new ATOM 0 HD3 PRO A 295 17.397 4.687 8.653 1.00 0.00 H new ATOM 90 N GLU A 296 14.721 0.599 6.704 1.00 0.00 N ATOM 91 CA GLU A 296 14.436 -0.831 6.675 1.00 0.00 C ATOM 92 C GLU A 296 14.347 -1.342 5.242 1.00 0.00 C ATOM 93 O GLU A 296 14.892 -2.395 4.913 1.00 0.00 O ATOM 94 CB GLU A 296 13.132 -1.127 7.417 1.00 0.00 C ATOM 95 CG GLU A 296 13.292 -1.196 8.927 1.00 0.00 C ATOM 96 CD GLU A 296 11.974 -1.043 9.660 1.00 0.00 C ATOM 97 OE1 GLU A 296 11.128 -0.250 9.199 1.00 0.00 O ATOM 98 OE2 GLU A 296 11.789 -1.717 10.696 1.00 0.00 O ATOM 0 H GLU A 296 13.892 1.194 6.715 1.00 0.00 H new ATOM 0 HA GLU A 296 15.256 -1.348 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 296 12.402 -0.356 7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 296 12.727 -2.074 7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 296 13.745 -2.150 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 296 13.977 -0.413 9.252 1.00 0.00 H new ATOM 105 N ILE A 297 13.655 -0.591 4.397 1.00 0.00 N ATOM 106 CA ILE A 297 13.490 -0.968 2.998 1.00 0.00 C ATOM 107 C ILE A 297 13.711 0.232 2.074 1.00 0.00 C ATOM 108 O ILE A 297 14.830 0.477 1.625 1.00 0.00 O ATOM 109 CB ILE A 297 12.092 -1.581 2.750 1.00 0.00 C ATOM 110 CG1 ILE A 297 11.959 -2.906 3.503 1.00 0.00 C ATOM 111 CG2 ILE A 297 11.845 -1.786 1.260 1.00 0.00 C ATOM 112 CD1 ILE A 297 10.540 -3.224 3.921 1.00 0.00 C ATOM 0 H ILE A 297 13.198 0.284 4.655 1.00 0.00 H new ATOM 0 HA ILE A 297 14.244 -1.722 2.770 1.00 0.00 H new ATOM 0 HB ILE A 297 11.339 -0.887 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 297 12.333 -3.712 2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 297 12.592 -2.876 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 297 10.855 -2.218 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 297 11.903 -0.826 0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 297 12.600 -2.460 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 297 10.521 -4.177 4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 297 10.169 -2.437 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 297 9.906 -3.287 3.037 1.00 0.00 H new ATOM 124 N SER A 298 12.642 0.974 1.792 1.00 0.00 N ATOM 125 CA SER A 298 12.726 2.143 0.920 1.00 0.00 C ATOM 126 C SER A 298 11.336 2.692 0.621 1.00 0.00 C ATOM 127 O SER A 298 10.327 2.077 0.968 1.00 0.00 O ATOM 128 CB SER A 298 13.437 1.787 -0.389 1.00 0.00 C ATOM 129 OG SER A 298 13.214 2.778 -1.378 1.00 0.00 O ATOM 0 H SER A 298 11.707 0.786 2.155 1.00 0.00 H new ATOM 0 HA SER A 298 13.302 2.910 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 298 14.507 1.684 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 298 13.080 0.822 -0.750 1.00 0.00 H new ATOM 0 HG SER A 298 13.680 2.528 -2.203 1.00 0.00 H new ATOM 135 N LEU A 299 11.289 3.851 -0.027 1.00 0.00 N ATOM 136 CA LEU A 299 10.021 4.482 -0.374 1.00 0.00 C ATOM 137 C LEU A 299 9.566 4.061 -1.769 1.00 0.00 C ATOM 138 O LEU A 299 8.369 3.987 -2.049 1.00 0.00 O ATOM 139 CB LEU A 299 10.151 6.007 -0.301 1.00 0.00 C ATOM 140 CG LEU A 299 9.060 6.710 0.509 1.00 0.00 C ATOM 141 CD1 LEU A 299 9.636 7.901 1.258 1.00 0.00 C ATOM 142 CD2 LEU A 299 7.922 7.149 -0.400 1.00 0.00 C ATOM 0 H LEU A 299 12.114 4.372 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 299 9.270 4.154 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 299 11.120 6.254 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 299 10.144 6.406 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 299 8.664 6.005 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 299 8.846 8.389 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 299 10.417 7.560 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 299 10.059 8.609 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 299 7.155 7.647 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 299 8.303 7.838 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 299 7.491 6.276 -0.891 1.00 0.00 H new ATOM 154 N ALA A 300 10.532 3.791 -2.639 1.00 0.00 N ATOM 155 CA ALA A 300 10.242 3.383 -4.007 1.00 0.00 C ATOM 156 C ALA A 300 9.517 2.041 -4.047 1.00 0.00 C ATOM 157 O ALA A 300 8.731 1.777 -4.956 1.00 0.00 O ATOM 158 CB ALA A 300 11.526 3.313 -4.819 1.00 0.00 C ATOM 0 H ALA A 300 11.526 3.848 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 300 9.583 4.132 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.295 3.007 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.001 4.294 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.203 2.588 -4.367 1.00 0.00 H new ATOM 164 N ASP A 301 9.787 1.198 -3.057 1.00 0.00 N ATOM 165 CA ASP A 301 9.161 -0.118 -2.982 1.00 0.00 C ATOM 166 C ASP A 301 7.685 -0.012 -2.603 1.00 0.00 C ATOM 167 O ASP A 301 6.947 -0.994 -2.679 1.00 0.00 O ATOM 168 CB ASP A 301 9.897 -0.996 -1.969 1.00 0.00 C ATOM 169 CG ASP A 301 11.093 -1.702 -2.577 1.00 0.00 C ATOM 170 OD1 ASP A 301 11.751 -1.105 -3.455 1.00 0.00 O ATOM 171 OD2 ASP A 301 11.371 -2.851 -2.176 1.00 0.00 O ATOM 0 H ASP A 301 10.434 1.401 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 301 9.225 -0.575 -3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 301 10.228 -0.381 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.207 -1.737 -1.566 1.00 0.00 H new ATOM 176 N TYR A 302 7.257 1.180 -2.187 1.00 0.00 N ATOM 177 CA TYR A 302 5.873 1.401 -1.792 1.00 0.00 C ATOM 178 C TYR A 302 4.901 0.925 -2.859 1.00 0.00 C ATOM 179 O TYR A 302 5.306 0.484 -3.934 1.00 0.00 O ATOM 180 CB TYR A 302 5.635 2.882 -1.527 1.00 0.00 C ATOM 181 CG TYR A 302 6.074 3.306 -0.155 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.211 2.757 0.413 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.348 4.232 0.582 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.621 3.112 1.671 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.755 4.601 1.848 1.00 0.00 C ATOM 186 CZ TYR A 302 6.893 4.038 2.391 1.00 0.00 C ATOM 187 OH TYR A 302 7.301 4.398 3.655 1.00 0.00 O ATOM 0 H TYR A 302 7.852 2.005 -2.116 1.00 0.00 H new ATOM 0 HA TYR A 302 5.697 0.825 -0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.170 3.470 -2.273 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.574 3.102 -1.648 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.786 2.034 -0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.455 4.668 0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.509 2.670 2.097 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.186 5.326 2.411 1.00 0.00 H new ATOM 0 HH TYR A 302 6.679 5.060 4.023 1.00 0.00 H new ATOM 197 N TRP A 303 3.613 1.040 -2.561 1.00 0.00 N ATOM 198 CA TRP A 303 2.582 0.644 -3.504 1.00 0.00 C ATOM 199 C TRP A 303 1.446 1.653 -3.511 1.00 0.00 C ATOM 200 O TRP A 303 1.369 2.524 -2.644 1.00 0.00 O ATOM 201 CB TRP A 303 2.048 -0.753 -3.187 1.00 0.00 C ATOM 202 CG TRP A 303 1.638 -0.950 -1.757 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.452 -1.202 -0.684 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.300 -0.927 -1.252 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.692 -1.336 0.459 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.368 -1.171 0.133 1.00 0.00 C ATOM 207 CE3 TRP A 303 -0.949 -0.723 -1.840 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.772 -1.217 0.935 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -2.076 -0.768 -1.044 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.983 -1.013 0.329 1.00 0.00 C ATOM 0 H TRP A 303 3.261 1.404 -1.675 1.00 0.00 H new ATOM 0 HA TRP A 303 3.033 0.617 -4.496 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.191 -0.955 -3.829 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.814 -1.487 -3.437 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.528 -1.284 -0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.054 -1.526 1.393 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -1.033 -0.533 -2.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.702 -1.407 1.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -3.047 -0.611 -1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.884 -1.042 0.924 1.00 0.00 H new ATOM 221 N LYS A 304 0.571 1.534 -4.499 1.00 0.00 N ATOM 222 CA LYS A 304 -0.558 2.448 -4.625 1.00 0.00 C ATOM 223 C LYS A 304 -1.878 1.736 -4.368 1.00 0.00 C ATOM 224 O LYS A 304 -2.330 0.926 -5.177 1.00 0.00 O ATOM 225 CB LYS A 304 -0.583 3.088 -6.014 1.00 0.00 C ATOM 226 CG LYS A 304 -1.714 4.090 -6.197 1.00 0.00 C ATOM 227 CD LYS A 304 -1.933 4.420 -7.665 1.00 0.00 C ATOM 228 CE LYS A 304 -0.705 5.072 -8.281 1.00 0.00 C ATOM 229 NZ LYS A 304 -0.991 6.455 -8.758 1.00 0.00 N ATOM 0 H LYS A 304 0.619 0.817 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.432 3.227 -3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.369 3.589 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -0.677 2.304 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -2.633 3.685 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -1.485 5.003 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -2.174 3.508 -8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -2.789 5.088 -7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 304 0.099 5.101 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 304 -0.352 4.466 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 -0.123 7.026 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 -1.326 6.421 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -1.724 6.885 -8.158 1.00 0.00 H new ATOM 243 N CYS A 305 -2.496 2.057 -3.240 1.00 0.00 N ATOM 244 CA CYS A 305 -3.778 1.459 -2.876 1.00 0.00 C ATOM 245 C CYS A 305 -4.833 1.797 -3.932 1.00 0.00 C ATOM 246 O CYS A 305 -5.103 2.964 -4.204 1.00 0.00 O ATOM 247 CB CYS A 305 -4.177 1.935 -1.472 1.00 0.00 C ATOM 248 SG CYS A 305 -5.951 2.055 -1.145 1.00 0.00 S ATOM 0 H CYS A 305 -2.134 2.726 -2.561 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.695 0.373 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.739 1.254 -0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -3.730 2.915 -1.302 1.00 0.00 H new ATOM 254 N THR A 306 -5.398 0.759 -4.545 1.00 0.00 N ATOM 255 CA THR A 306 -6.395 0.930 -5.604 1.00 0.00 C ATOM 256 C THR A 306 -7.720 1.484 -5.084 1.00 0.00 C ATOM 257 O THR A 306 -8.604 1.824 -5.871 1.00 0.00 O ATOM 258 CB THR A 306 -6.639 -0.404 -6.313 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.093 -1.383 -5.397 1.00 0.00 O ATOM 260 CG2 THR A 306 -5.405 -0.951 -6.997 1.00 0.00 C ATOM 0 H THR A 306 -5.182 -0.214 -4.327 1.00 0.00 H new ATOM 0 HA THR A 306 -5.991 1.661 -6.305 1.00 0.00 H new ATOM 0 HB THR A 306 -7.393 -0.195 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 306 -7.245 -2.228 -5.870 1.00 0.00 H new ATOM 0 HG21 THR A 306 -5.646 -1.898 -7.480 1.00 0.00 H new ATOM 0 HG22 THR A 306 -5.059 -0.239 -7.746 1.00 0.00 H new ATOM 0 HG23 THR A 306 -4.620 -1.111 -6.258 1.00 0.00 H new ATOM 268 N SER A 307 -7.861 1.577 -3.770 1.00 0.00 N ATOM 269 CA SER A 307 -9.085 2.093 -3.177 1.00 0.00 C ATOM 270 C SER A 307 -9.115 3.614 -3.236 1.00 0.00 C ATOM 271 O SER A 307 -9.838 4.203 -4.038 1.00 0.00 O ATOM 272 CB SER A 307 -9.212 1.619 -1.727 1.00 0.00 C ATOM 273 OG SER A 307 -10.416 0.897 -1.530 1.00 0.00 O ATOM 0 H SER A 307 -7.146 1.303 -3.097 1.00 0.00 H new ATOM 0 HA SER A 307 -9.930 1.710 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 307 -8.360 0.989 -1.471 1.00 0.00 H new ATOM 0 HB3 SER A 307 -9.186 2.478 -1.057 1.00 0.00 H new ATOM 0 HG SER A 307 -10.473 0.604 -0.597 1.00 0.00 H new ATOM 279 N CYS A 308 -8.325 4.239 -2.376 1.00 0.00 N ATOM 280 CA CYS A 308 -8.258 5.697 -2.319 1.00 0.00 C ATOM 281 C CYS A 308 -7.075 6.248 -3.115 1.00 0.00 C ATOM 282 O CYS A 308 -6.998 7.453 -3.357 1.00 0.00 O ATOM 283 CB CYS A 308 -8.184 6.179 -0.869 1.00 0.00 C ATOM 284 SG CYS A 308 -6.925 5.352 0.127 1.00 0.00 S ATOM 0 H CYS A 308 -7.720 3.762 -1.707 1.00 0.00 H new ATOM 0 HA CYS A 308 -9.172 6.077 -2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -7.987 7.251 -0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -9.157 6.031 -0.399 1.00 0.00 H new ATOM 290 N ASN A 309 -6.147 5.372 -3.511 1.00 0.00 N ATOM 291 CA ASN A 309 -4.967 5.789 -4.269 1.00 0.00 C ATOM 292 C ASN A 309 -3.896 6.342 -3.337 1.00 0.00 C ATOM 293 O ASN A 309 -3.177 7.278 -3.686 1.00 0.00 O ATOM 294 CB ASN A 309 -5.333 6.834 -5.329 1.00 0.00 C ATOM 295 CG ASN A 309 -4.417 6.778 -6.535 1.00 0.00 C ATOM 296 OD1 ASN A 309 -3.257 7.185 -6.468 1.00 0.00 O ATOM 297 ND2 ASN A 309 -4.935 6.272 -7.649 1.00 0.00 N ATOM 0 H ASN A 309 -6.191 4.371 -3.319 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.571 4.909 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.363 6.677 -5.650 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -5.286 7.829 -4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -4.366 6.209 -8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -5.902 5.946 -7.660 1.00 0.00 H new ATOM 304 N GLU A 310 -3.793 5.751 -2.151 1.00 0.00 N ATOM 305 CA GLU A 310 -2.805 6.179 -1.169 1.00 0.00 C ATOM 306 C GLU A 310 -1.500 5.424 -1.370 1.00 0.00 C ATOM 307 O GLU A 310 -1.477 4.356 -1.982 1.00 0.00 O ATOM 308 CB GLU A 310 -3.320 5.943 0.253 1.00 0.00 C ATOM 309 CG GLU A 310 -2.813 6.958 1.264 1.00 0.00 C ATOM 310 CD GLU A 310 -3.822 8.057 1.542 1.00 0.00 C ATOM 311 OE1 GLU A 310 -5.034 7.805 1.379 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.398 9.168 1.921 1.00 0.00 O ATOM 0 H GLU A 310 -4.381 4.975 -1.847 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.628 7.246 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -4.410 5.966 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -3.025 4.944 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.571 6.447 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.889 7.403 0.895 1.00 0.00 H new ATOM 319 N MET A 311 -0.417 5.977 -0.844 1.00 0.00 N ATOM 320 CA MET A 311 0.883 5.346 -0.958 1.00 0.00 C ATOM 321 C MET A 311 1.228 4.637 0.343 1.00 0.00 C ATOM 322 O MET A 311 1.011 5.173 1.429 1.00 0.00 O ATOM 323 CB MET A 311 1.953 6.385 -1.297 1.00 0.00 C ATOM 324 CG MET A 311 1.958 6.797 -2.761 1.00 0.00 C ATOM 325 SD MET A 311 3.546 6.503 -3.563 1.00 0.00 S ATOM 326 CE MET A 311 3.781 4.762 -3.212 1.00 0.00 C ATOM 0 H MET A 311 -0.416 6.861 -0.335 1.00 0.00 H new ATOM 0 HA MET A 311 0.850 4.612 -1.764 1.00 0.00 H new ATOM 0 HB2 MET A 311 1.797 7.270 -0.680 1.00 0.00 H new ATOM 0 HB3 MET A 311 2.933 5.984 -1.038 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.181 6.247 -3.291 1.00 0.00 H new ATOM 0 HG3 MET A 311 1.708 7.855 -2.837 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.698 4.415 -3.689 1.00 0.00 H new ATOM 0 HE2 MET A 311 3.855 4.615 -2.135 1.00 0.00 H new ATOM 0 HE3 MET A 311 2.934 4.195 -3.598 1.00 0.00 H new ATOM 336 N ASN A 312 1.750 3.427 0.229 1.00 0.00 N ATOM 337 CA ASN A 312 2.104 2.643 1.401 1.00 0.00 C ATOM 338 C ASN A 312 3.417 1.906 1.190 1.00 0.00 C ATOM 339 O ASN A 312 3.826 1.666 0.054 1.00 0.00 O ATOM 340 CB ASN A 312 1.001 1.634 1.694 1.00 0.00 C ATOM 341 CG ASN A 312 -0.299 2.300 2.100 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.493 2.653 3.263 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.198 2.475 1.139 1.00 0.00 N ATOM 0 H ASN A 312 1.938 2.967 -0.662 1.00 0.00 H new ATOM 0 HA ASN A 312 2.220 3.324 2.244 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.831 1.019 0.810 1.00 0.00 H new ATOM 0 HB3 ASN A 312 1.327 0.964 2.490 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -2.092 2.918 1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -0.995 2.167 0.188 1.00 0.00 H new ATOM 350 N PRO A 313 4.093 1.521 2.280 1.00 0.00 N ATOM 351 CA PRO A 313 5.352 0.799 2.195 1.00 0.00 C ATOM 352 C PRO A 313 5.140 -0.681 1.923 1.00 0.00 C ATOM 353 O PRO A 313 4.014 -1.175 1.951 1.00 0.00 O ATOM 354 CB PRO A 313 5.966 1.014 3.575 1.00 0.00 C ATOM 355 CG PRO A 313 4.795 1.112 4.485 1.00 0.00 C ATOM 356 CD PRO A 313 3.683 1.745 3.681 1.00 0.00 C ATOM 0 HA PRO A 313 5.981 1.150 1.377 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.619 0.187 3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.570 1.921 3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.501 0.127 4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 313 5.033 1.715 5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.720 1.282 3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.582 2.807 3.904 1.00 0.00 H new ATOM 364 N PRO A 314 6.227 -1.403 1.640 1.00 0.00 N ATOM 365 CA PRO A 314 6.172 -2.836 1.352 1.00 0.00 C ATOM 366 C PRO A 314 5.930 -3.686 2.601 1.00 0.00 C ATOM 367 O PRO A 314 5.511 -4.840 2.502 1.00 0.00 O ATOM 368 CB PRO A 314 7.549 -3.131 0.759 1.00 0.00 C ATOM 369 CG PRO A 314 8.448 -2.093 1.337 1.00 0.00 C ATOM 370 CD PRO A 314 7.603 -0.870 1.566 1.00 0.00 C ATOM 0 HA PRO A 314 5.343 -3.081 0.688 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.885 -4.134 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.530 -3.075 -0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.889 -2.440 2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 314 9.272 -1.873 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.883 -0.356 2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.711 -0.151 0.754 1.00 0.00 H new ATOM 378 N LEU A 315 6.219 -3.123 3.774 1.00 0.00 N ATOM 379 CA LEU A 315 6.054 -3.849 5.034 1.00 0.00 C ATOM 380 C LEU A 315 4.636 -4.405 5.196 1.00 0.00 C ATOM 381 O LEU A 315 4.457 -5.601 5.426 1.00 0.00 O ATOM 382 CB LEU A 315 6.398 -2.937 6.215 1.00 0.00 C ATOM 383 CG LEU A 315 7.798 -3.141 6.802 1.00 0.00 C ATOM 384 CD1 LEU A 315 8.531 -1.813 6.920 1.00 0.00 C ATOM 385 CD2 LEU A 315 7.716 -3.826 8.159 1.00 0.00 C ATOM 0 H LEU A 315 6.567 -2.170 3.879 1.00 0.00 H new ATOM 0 HA LEU A 315 6.739 -4.697 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 315 6.302 -1.900 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 315 5.663 -3.096 7.004 1.00 0.00 H new ATOM 0 HG LEU A 315 8.360 -3.784 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 315 9.523 -1.981 7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 315 8.626 -1.361 5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 315 7.970 -1.144 7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 315 8.721 -3.962 8.559 1.00 0.00 H new ATOM 0 HD22 LEU A 315 7.133 -3.209 8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 315 7.235 -4.798 8.048 1.00 0.00 H new ATOM 397 N PRO A 316 3.609 -3.546 5.089 1.00 0.00 N ATOM 398 CA PRO A 316 2.217 -3.955 5.233 1.00 0.00 C ATOM 399 C PRO A 316 1.610 -4.444 3.925 1.00 0.00 C ATOM 400 O PRO A 316 2.318 -4.669 2.944 1.00 0.00 O ATOM 401 CB PRO A 316 1.538 -2.666 5.680 1.00 0.00 C ATOM 402 CG PRO A 316 2.322 -1.578 5.025 1.00 0.00 C ATOM 403 CD PRO A 316 3.724 -2.103 4.828 1.00 0.00 C ATOM 0 HA PRO A 316 2.102 -4.791 5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.493 -2.642 5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.553 -2.566 6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.876 -1.302 4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.329 -0.681 5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 316 4.084 -1.908 3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 316 4.427 -1.629 5.513 1.00 0.00 H new ATOM 411 N SER A 317 0.291 -4.595 3.920 1.00 0.00 N ATOM 412 CA SER A 317 -0.420 -5.048 2.734 1.00 0.00 C ATOM 413 C SER A 317 -1.574 -4.106 2.408 1.00 0.00 C ATOM 414 O SER A 317 -1.755 -3.719 1.255 1.00 0.00 O ATOM 415 CB SER A 317 -0.930 -6.473 2.931 1.00 0.00 C ATOM 416 OG SER A 317 0.011 -7.420 2.457 1.00 0.00 O ATOM 0 H SER A 317 -0.307 -4.410 4.725 1.00 0.00 H new ATOM 0 HA SER A 317 0.273 -5.043 1.893 1.00 0.00 H new ATOM 0 HB2 SER A 317 -1.127 -6.649 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 317 -1.876 -6.600 2.405 1.00 0.00 H new ATOM 0 HG SER A 317 -0.389 -8.315 2.474 1.00 0.00 H new ATOM 422 N HIS A 318 -2.347 -3.718 3.423 1.00 0.00 N ATOM 423 CA HIS A 318 -3.456 -2.797 3.194 1.00 0.00 C ATOM 424 C HIS A 318 -3.026 -1.367 3.427 1.00 0.00 C ATOM 425 O HIS A 318 -2.067 -1.088 4.146 1.00 0.00 O ATOM 426 CB HIS A 318 -4.705 -3.091 4.047 1.00 0.00 C ATOM 427 CG HIS A 318 -4.466 -3.869 5.288 1.00 0.00 C ATOM 428 ND1 HIS A 318 -3.507 -3.758 6.214 1.00 0.00 N flip ATOM 429 CD2 HIS A 318 -5.280 -4.900 5.691 1.00 0.00 C flip ATOM 430 CE1 HIS A 318 -3.744 -4.721 7.166 1.00 0.00 C flip ATOM 431 NE2 HIS A 318 -4.826 -5.397 6.820 1.00 0.00 N flip ATOM 0 H HIS A 318 -2.229 -4.020 4.390 1.00 0.00 H new ATOM 0 HA HIS A 318 -3.738 -2.947 2.152 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -5.169 -2.143 4.318 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.423 -3.633 3.432 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -6.156 -5.248 5.163 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -3.146 -4.896 8.048 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -5.238 -6.172 7.340 1.00 0.00 H new ATOM 440 N CYS A 319 -3.759 -0.475 2.801 1.00 0.00 N ATOM 441 CA CYS A 319 -3.500 0.951 2.900 1.00 0.00 C ATOM 442 C CYS A 319 -3.616 1.414 4.350 1.00 0.00 C ATOM 443 O CYS A 319 -4.510 0.981 5.081 1.00 0.00 O ATOM 444 CB CYS A 319 -4.478 1.698 1.990 1.00 0.00 C ATOM 445 SG CYS A 319 -4.680 3.458 2.352 1.00 0.00 S ATOM 0 H CYS A 319 -4.553 -0.714 2.207 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.483 1.168 2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.142 1.592 0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.453 1.216 2.058 1.00 0.00 H new ATOM 450 N ASN A 320 -2.699 2.286 4.762 1.00 0.00 N ATOM 451 CA ASN A 320 -2.677 2.799 6.132 1.00 0.00 C ATOM 452 C ASN A 320 -3.722 3.891 6.358 1.00 0.00 C ATOM 453 O ASN A 320 -3.521 4.790 7.175 1.00 0.00 O ATOM 454 CB ASN A 320 -1.286 3.339 6.469 1.00 0.00 C ATOM 455 CG ASN A 320 -0.368 2.265 7.021 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.397 1.960 8.213 1.00 0.00 O ATOM 457 ND2 ASN A 320 0.455 1.688 6.154 1.00 0.00 N ATOM 0 H ASN A 320 -1.958 2.654 4.165 1.00 0.00 H new ATOM 0 HA ASN A 320 -2.921 1.967 6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -0.839 3.770 5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.378 4.144 7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 320 1.097 0.960 6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 320 0.445 1.972 5.174 1.00 0.00 H new ATOM 464 N ARG A 321 -4.839 3.805 5.645 1.00 0.00 N ATOM 465 CA ARG A 321 -5.914 4.778 5.782 1.00 0.00 C ATOM 466 C ARG A 321 -7.262 4.077 5.683 1.00 0.00 C ATOM 467 O ARG A 321 -8.070 4.122 6.611 1.00 0.00 O ATOM 468 CB ARG A 321 -5.808 5.857 4.701 1.00 0.00 C ATOM 469 CG ARG A 321 -4.504 6.640 4.743 1.00 0.00 C ATOM 470 CD ARG A 321 -4.705 8.028 5.331 1.00 0.00 C ATOM 471 NE ARG A 321 -3.857 9.025 4.683 1.00 0.00 N ATOM 472 CZ ARG A 321 -3.747 10.285 5.094 1.00 0.00 C ATOM 473 NH1 ARG A 321 -4.429 10.707 6.152 1.00 0.00 N ATOM 474 NH2 ARG A 321 -2.952 11.126 4.447 1.00 0.00 N ATOM 0 H ARG A 321 -5.023 3.068 4.964 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.826 5.256 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -5.909 5.389 3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.642 6.551 4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -3.770 6.095 5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -4.098 6.726 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -5.750 8.318 5.226 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -4.486 8.005 6.399 1.00 0.00 H new ATOM 0 HE ARG A 321 -3.317 8.738 3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -5.041 10.064 6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -4.341 11.674 6.463 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -2.425 10.807 3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -2.867 12.092 4.762 1.00 0.00 H new ATOM 488 N CYS A 322 -7.490 3.425 4.550 1.00 0.00 N ATOM 489 CA CYS A 322 -8.730 2.702 4.313 1.00 0.00 C ATOM 490 C CYS A 322 -8.564 1.205 4.589 1.00 0.00 C ATOM 491 O CYS A 322 -9.549 0.471 4.673 1.00 0.00 O ATOM 492 CB CYS A 322 -9.206 2.929 2.874 1.00 0.00 C ATOM 493 SG CYS A 322 -8.309 1.973 1.626 1.00 0.00 S ATOM 0 H CYS A 322 -6.826 3.383 3.777 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.482 3.087 5.002 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.265 2.680 2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -9.113 3.989 2.637 1.00 0.00 H new ATOM 498 N TRP A 323 -7.314 0.751 4.722 1.00 0.00 N ATOM 499 CA TRP A 323 -7.034 -0.655 4.977 1.00 0.00 C ATOM 500 C TRP A 323 -7.382 -1.513 3.762 1.00 0.00 C ATOM 501 O TRP A 323 -7.803 -2.662 3.903 1.00 0.00 O ATOM 502 CB TRP A 323 -7.801 -1.146 6.208 1.00 0.00 C ATOM 503 CG TRP A 323 -6.908 -1.594 7.325 1.00 0.00 C ATOM 504 CD1 TRP A 323 -5.963 -0.850 7.970 1.00 0.00 C ATOM 505 CD2 TRP A 323 -6.875 -2.894 7.927 1.00 0.00 C ATOM 506 NE1 TRP A 323 -5.345 -1.605 8.936 1.00 0.00 N ATOM 507 CE2 TRP A 323 -5.888 -2.864 8.931 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.585 -4.080 7.717 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.593 -3.973 9.719 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -7.293 -5.180 8.502 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.304 -5.119 9.492 1.00 0.00 C ATOM 0 H TRP A 323 -6.484 1.341 4.656 1.00 0.00 H new ATOM 0 HA TRP A 323 -5.966 -0.752 5.170 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.447 -0.345 6.568 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.450 -1.972 5.917 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -5.734 0.183 7.752 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -4.603 -1.282 9.556 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -8.348 -4.136 6.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -4.830 -3.930 10.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.836 -6.101 8.349 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -6.099 -5.995 10.089 1.00 0.00 H new ATOM 522 N ALA A 324 -7.189 -0.958 2.568 1.00 0.00 N ATOM 523 CA ALA A 324 -7.467 -1.687 1.334 1.00 0.00 C ATOM 524 C ALA A 324 -6.348 -2.676 1.053 1.00 0.00 C ATOM 525 O ALA A 324 -5.420 -2.379 0.301 1.00 0.00 O ATOM 526 CB ALA A 324 -7.626 -0.726 0.166 1.00 0.00 C ATOM 0 H ALA A 324 -6.842 -0.009 2.429 1.00 0.00 H new ATOM 0 HA ALA A 324 -8.402 -2.233 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.833 -1.290 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.453 -0.044 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.707 -0.154 0.038 1.00 0.00 H new ATOM 532 N LEU A 325 -6.424 -3.843 1.682 1.00 0.00 N ATOM 533 CA LEU A 325 -5.394 -4.859 1.516 1.00 0.00 C ATOM 534 C LEU A 325 -5.057 -5.084 0.050 1.00 0.00 C ATOM 535 O LEU A 325 -5.911 -5.461 -0.753 1.00 0.00 O ATOM 536 CB LEU A 325 -5.797 -6.166 2.193 1.00 0.00 C ATOM 537 CG LEU A 325 -4.616 -7.045 2.586 1.00 0.00 C ATOM 538 CD1 LEU A 325 -3.941 -6.475 3.814 1.00 0.00 C ATOM 539 CD2 LEU A 325 -5.064 -8.478 2.828 1.00 0.00 C ATOM 0 H LEU A 325 -7.184 -4.108 2.308 1.00 0.00 H new ATOM 0 HA LEU A 325 -4.492 -4.490 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.380 -5.937 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -6.448 -6.727 1.522 1.00 0.00 H new ATOM 0 HG LEU A 325 -3.899 -7.058 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -3.097 -7.107 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -3.585 -5.468 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -4.654 -6.440 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -4.203 -9.086 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -5.799 -8.498 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -5.511 -8.878 1.918 1.00 0.00 H new ATOM 551 N ARG A 326 -3.793 -4.831 -0.275 1.00 0.00 N ATOM 552 CA ARG A 326 -3.269 -4.978 -1.626 1.00 0.00 C ATOM 553 C ARG A 326 -3.836 -6.214 -2.330 1.00 0.00 C ATOM 554 O ARG A 326 -4.437 -7.083 -1.700 1.00 0.00 O ATOM 555 CB ARG A 326 -1.752 -5.090 -1.543 1.00 0.00 C ATOM 556 CG ARG A 326 -1.007 -4.119 -2.425 1.00 0.00 C ATOM 557 CD ARG A 326 0.430 -4.001 -1.967 1.00 0.00 C ATOM 558 NE ARG A 326 1.314 -3.593 -3.049 1.00 0.00 N ATOM 559 CZ ARG A 326 2.587 -3.972 -3.159 1.00 0.00 C ATOM 560 NH1 ARG A 326 3.145 -4.737 -2.227 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.310 -3.578 -4.199 1.00 0.00 N ATOM 0 H ARG A 326 -3.097 -4.515 0.401 1.00 0.00 H new ATOM 0 HA ARG A 326 -3.566 -4.107 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -1.444 -4.933 -0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -1.459 -6.105 -1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -1.041 -4.457 -3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -1.489 -3.142 -2.392 1.00 0.00 H new ATOM 0 HD2 ARG A 326 0.493 -3.277 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.763 -4.959 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 326 0.935 -2.978 -3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 326 2.599 -5.038 -1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 326 4.120 -5.023 -2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 326 2.892 -2.984 -4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.284 -3.869 -4.282 1.00 0.00 H new ATOM 575 N GLU A 327 -3.625 -6.289 -3.640 1.00 0.00 N ATOM 576 CA GLU A 327 -4.103 -7.420 -4.428 1.00 0.00 C ATOM 577 C GLU A 327 -2.934 -8.245 -4.958 1.00 0.00 C ATOM 578 O GLU A 327 -3.017 -9.469 -5.053 1.00 0.00 O ATOM 579 CB GLU A 327 -4.969 -6.934 -5.591 1.00 0.00 C ATOM 580 CG GLU A 327 -6.192 -6.147 -5.153 1.00 0.00 C ATOM 581 CD GLU A 327 -7.158 -5.888 -6.293 1.00 0.00 C ATOM 582 OE1 GLU A 327 -7.855 -6.837 -6.710 1.00 0.00 O ATOM 583 OE2 GLU A 327 -7.217 -4.735 -6.770 1.00 0.00 O ATOM 0 H GLU A 327 -3.126 -5.581 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 327 -4.707 -8.053 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -4.363 -6.311 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -5.292 -7.795 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -6.707 -6.693 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -5.874 -5.195 -4.728 1.00 0.00 H new ATOM 590 N ASN A 328 -1.845 -7.565 -5.300 1.00 0.00 N ATOM 591 CA ASN A 328 -0.657 -8.234 -5.819 1.00 0.00 C ATOM 592 C ASN A 328 0.525 -8.048 -4.872 1.00 0.00 C ATOM 593 O ASN A 328 1.386 -7.197 -5.097 1.00 0.00 O ATOM 594 CB ASN A 328 -0.307 -7.694 -7.207 1.00 0.00 C ATOM 595 CG ASN A 328 0.203 -8.778 -8.136 1.00 0.00 C ATOM 596 OD1 ASN A 328 -0.411 -9.836 -8.270 1.00 0.00 O ATOM 597 ND2 ASN A 328 1.333 -8.519 -8.783 1.00 0.00 N ATOM 0 H ASN A 328 -1.760 -6.551 -5.227 1.00 0.00 H new ATOM 0 HA ASN A 328 -0.873 -9.300 -5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -1.189 -7.228 -7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 328 0.450 -6.916 -7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 328 1.725 -9.211 -9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 328 1.809 -7.628 -8.642 1.00 0.00 H new ATOM 604 N TRP A 329 0.557 -8.847 -3.810 1.00 0.00 N ATOM 605 CA TRP A 329 1.631 -8.769 -2.828 1.00 0.00 C ATOM 606 C TRP A 329 2.317 -10.119 -2.661 1.00 0.00 C ATOM 607 O TRP A 329 3.441 -10.317 -3.121 1.00 0.00 O ATOM 608 CB TRP A 329 1.104 -8.271 -1.474 1.00 0.00 C ATOM 609 CG TRP A 329 -0.329 -8.625 -1.191 1.00 0.00 C ATOM 610 CD1 TRP A 329 -1.408 -8.375 -1.986 1.00 0.00 C ATOM 611 CD2 TRP A 329 -0.838 -9.277 -0.019 1.00 0.00 C ATOM 612 NE1 TRP A 329 -2.551 -8.833 -1.388 1.00 0.00 N ATOM 613 CE2 TRP A 329 -2.231 -9.393 -0.181 1.00 0.00 C ATOM 614 CE3 TRP A 329 -0.254 -9.778 1.147 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -3.047 -9.987 0.778 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -1.064 -10.367 2.099 1.00 0.00 C ATOM 617 CH2 TRP A 329 -2.447 -10.469 1.909 1.00 0.00 C ATOM 0 H TRP A 329 -0.149 -9.555 -3.608 1.00 0.00 H new ATOM 0 HA TRP A 329 2.364 -8.052 -3.198 1.00 0.00 H new ATOM 0 HB2 TRP A 329 1.729 -8.683 -0.682 1.00 0.00 H new ATOM 0 HB3 TRP A 329 1.211 -7.187 -1.434 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -1.367 -7.886 -2.948 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -3.491 -8.767 -1.779 1.00 0.00 H new ATOM 0 HE3 TRP A 329 0.812 -9.706 1.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -4.115 -10.064 0.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -0.623 -10.755 3.005 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -3.053 -10.938 2.671 1.00 0.00 H new ATOM 628 N LEU A 330 1.634 -11.045 -2.003 1.00 0.00 N ATOM 629 CA LEU A 330 2.178 -12.379 -1.777 1.00 0.00 C ATOM 630 C LEU A 330 2.318 -13.139 -3.097 1.00 0.00 C ATOM 631 O LEU A 330 1.319 -13.480 -3.730 1.00 0.00 O ATOM 632 CB LEU A 330 1.281 -13.165 -0.818 1.00 0.00 C ATOM 633 CG LEU A 330 1.361 -12.727 0.645 1.00 0.00 C ATOM 634 CD1 LEU A 330 0.265 -13.393 1.462 1.00 0.00 C ATOM 635 CD2 LEU A 330 2.730 -13.050 1.224 1.00 0.00 C ATOM 0 H LEU A 330 0.702 -10.898 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 330 3.167 -12.270 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 330 0.248 -13.074 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 330 1.544 -14.221 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 330 1.215 -11.648 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 330 0.338 -13.070 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -0.709 -13.112 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 330 0.380 -14.476 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 330 2.769 -12.731 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 330 2.905 -14.124 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 330 3.498 -12.526 0.655 1.00 0.00 H new ATOM 647 N PRO A 331 3.561 -13.414 -3.532 1.00 0.00 N ATOM 648 CA PRO A 331 3.814 -14.137 -4.783 1.00 0.00 C ATOM 649 C PRO A 331 3.012 -15.430 -4.878 1.00 0.00 C ATOM 650 O PRO A 331 3.450 -16.480 -4.407 1.00 0.00 O ATOM 651 CB PRO A 331 5.313 -14.440 -4.723 1.00 0.00 C ATOM 652 CG PRO A 331 5.879 -13.367 -3.859 1.00 0.00 C ATOM 653 CD PRO A 331 4.816 -13.048 -2.845 1.00 0.00 C ATOM 0 HA PRO A 331 3.519 -13.555 -5.656 1.00 0.00 H new ATOM 0 HB2 PRO A 331 5.501 -15.428 -4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 331 5.760 -14.426 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 331 6.795 -13.701 -3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 331 6.134 -12.486 -4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.952 -13.620 -1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 331 4.829 -11.994 -2.568 1.00 0.00 H new ATOM 661 N GLU A 332 1.836 -15.347 -5.490 1.00 0.00 N ATOM 662 CA GLU A 332 0.971 -16.510 -5.647 1.00 0.00 C ATOM 663 C GLU A 332 0.789 -16.857 -7.121 1.00 0.00 C ATOM 664 O GLU A 332 -0.197 -16.464 -7.744 1.00 0.00 O ATOM 665 CB GLU A 332 -0.391 -16.251 -5.000 1.00 0.00 C ATOM 666 CG GLU A 332 -0.298 -15.694 -3.588 1.00 0.00 C ATOM 667 CD GLU A 332 -1.189 -16.434 -2.609 1.00 0.00 C ATOM 668 OE1 GLU A 332 -0.954 -17.640 -2.388 1.00 0.00 O ATOM 669 OE2 GLU A 332 -2.120 -15.806 -2.062 1.00 0.00 O ATOM 0 H GLU A 332 1.460 -14.486 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 332 1.447 -17.355 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -0.952 -15.553 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -0.956 -17.183 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 332 0.736 -15.750 -3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -0.573 -14.639 -3.599 1.00 0.00 H new ATOM 676 N ASP A 333 1.746 -17.597 -7.672 1.00 0.00 N ATOM 677 CA ASP A 333 1.690 -17.997 -9.073 1.00 0.00 C ATOM 678 C ASP A 333 2.774 -19.022 -9.390 1.00 0.00 C ATOM 679 O ASP A 333 3.659 -19.277 -8.573 1.00 0.00 O ATOM 680 CB ASP A 333 1.847 -16.775 -9.981 1.00 0.00 C ATOM 681 CG ASP A 333 1.174 -16.965 -11.326 1.00 0.00 C ATOM 682 OD1 ASP A 333 -0.040 -16.689 -11.427 1.00 0.00 O ATOM 683 OD2 ASP A 333 1.861 -17.391 -12.278 1.00 0.00 O ATOM 0 H ASP A 333 2.569 -17.931 -7.170 1.00 0.00 H new ATOM 0 HA ASP A 333 0.718 -18.454 -9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 333 1.424 -15.901 -9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 333 2.907 -16.573 -10.133 1.00 0.00 H new ATOM 688 N LYS A 334 2.698 -19.606 -10.582 1.00 0.00 N ATOM 689 CA LYS A 334 3.672 -20.604 -11.009 1.00 0.00 C ATOM 690 C LYS A 334 4.729 -19.980 -11.914 1.00 0.00 C ATOM 691 O LYS A 334 5.261 -20.638 -12.808 1.00 0.00 O ATOM 692 CB LYS A 334 2.972 -21.752 -11.737 1.00 0.00 C ATOM 693 CG LYS A 334 3.792 -23.031 -11.786 1.00 0.00 C ATOM 694 CD LYS A 334 3.032 -24.154 -12.474 1.00 0.00 C ATOM 695 CE LYS A 334 2.963 -23.939 -13.978 1.00 0.00 C ATOM 696 NZ LYS A 334 1.723 -24.518 -14.565 1.00 0.00 N ATOM 0 H LYS A 334 1.972 -19.405 -11.269 1.00 0.00 H new ATOM 0 HA LYS A 334 4.167 -20.996 -10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 334 2.022 -21.958 -11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 334 2.742 -21.439 -12.755 1.00 0.00 H new ATOM 0 HG2 LYS A 334 4.727 -22.845 -12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 334 4.054 -23.335 -10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 334 3.518 -25.107 -12.263 1.00 0.00 H new ATOM 0 HD3 LYS A 334 2.023 -24.215 -12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 334 3.003 -22.871 -14.194 1.00 0.00 H new ATOM 0 HE3 LYS A 334 3.834 -24.393 -14.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 1.714 -24.351 -15.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 1.697 -25.541 -14.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 0.891 -24.067 -14.133 1.00 0.00 H new ATOM 710 N GLY A 335 5.027 -18.707 -11.677 1.00 0.00 N ATOM 711 CA GLY A 335 6.019 -18.016 -12.481 1.00 0.00 C ATOM 712 C GLY A 335 5.609 -16.595 -12.813 1.00 0.00 C ATOM 713 O GLY A 335 6.063 -16.072 -13.853 1.00 0.00 O ATOM 714 OXT GLY A 335 4.831 -16.004 -12.034 1.00 0.00 O ATOM 0 H GLY A 335 4.600 -18.142 -10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 335 6.969 -18.001 -11.947 1.00 0.00 H new ATOM 0 HA3 GLY A 335 6.182 -18.569 -13.406 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.473 3.241 0.891 1.00 0.00 ZN