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= -1.06 K(o=-1.1,f=-4!) USER MOD Set 1.2: A 320 ASN : amide:sc= -0.0445 X(o=-1.1,f=-1.6) USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 180:sc= -0.0516 USER MOD Single : A 302 TYR OH : rot 180:sc= 0 USER MOD Single : A 304 LYS NZ :NH3+ 149:sc= -0.0101 (180deg=-0.283) 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 :FLIP amide:sc= -0.494 F(o=-1.2,f=-0.49) USER MOD Single : A 311 MET CE :methyl 154:sc= -3.4! (180deg=-3.93!) USER MOD Single : A 317 SER OG : rot -137:sc= 2.07 USER MOD Single : A 318 HIS : no HD1:sc= -10.6! C(o=-11!,f=-12!) USER MOD Single : A 328 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 21.989 -1.211 19.702 1.00 0.00 N ATOM 2 CA SER A 290 20.638 -0.599 19.821 1.00 0.00 C ATOM 3 C SER A 290 19.732 -1.036 18.675 1.00 0.00 C ATOM 4 O SER A 290 20.110 -1.876 17.857 1.00 0.00 O ATOM 5 CB SER A 290 20.793 0.924 19.820 1.00 0.00 C ATOM 6 OG SER A 290 20.861 1.430 21.141 1.00 0.00 O ATOM 0 HA SER A 290 20.175 -0.931 20.750 1.00 0.00 H new ATOM 0 HB2 SER A 290 21.695 1.201 19.274 1.00 0.00 H new ATOM 0 HB3 SER A 290 19.952 1.378 19.296 1.00 0.00 H new ATOM 0 HG SER A 290 20.962 2.404 21.113 1.00 0.00 H new ATOM 14 N PHE A 291 18.535 -0.463 18.622 1.00 0.00 N ATOM 15 CA PHE A 291 17.574 -0.794 17.577 1.00 0.00 C ATOM 16 C PHE A 291 17.562 0.274 16.488 1.00 0.00 C ATOM 17 O PHE A 291 16.513 0.593 15.928 1.00 0.00 O ATOM 18 CB PHE A 291 16.173 -0.946 18.172 1.00 0.00 C ATOM 19 CG PHE A 291 15.907 -2.310 18.743 1.00 0.00 C ATOM 20 CD1 PHE A 291 16.611 -2.761 19.849 1.00 0.00 C ATOM 21 CD2 PHE A 291 14.954 -3.139 18.175 1.00 0.00 C ATOM 22 CE1 PHE A 291 16.368 -4.015 20.377 1.00 0.00 C ATOM 23 CE2 PHE A 291 14.707 -4.394 18.699 1.00 0.00 C ATOM 24 CZ PHE A 291 15.415 -4.832 19.802 1.00 0.00 C ATOM 0 H PHE A 291 18.207 0.233 19.291 1.00 0.00 H new ATOM 0 HA PHE A 291 17.876 -1.741 17.129 1.00 0.00 H new ATOM 0 HB2 PHE A 291 16.037 -0.200 18.955 1.00 0.00 H new ATOM 0 HB3 PHE A 291 15.434 -0.734 17.399 1.00 0.00 H new ATOM 0 HD1 PHE A 291 17.357 -2.126 20.303 1.00 0.00 H new ATOM 0 HD2 PHE A 291 14.398 -2.801 17.313 1.00 0.00 H new ATOM 0 HE1 PHE A 291 16.923 -4.355 21.239 1.00 0.00 H new ATOM 0 HE2 PHE A 291 13.962 -5.032 18.247 1.00 0.00 H new ATOM 0 HZ PHE A 291 15.223 -5.812 20.214 1.00 0.00 H new ATOM 34 N GLU A 292 18.736 0.825 16.192 1.00 0.00 N ATOM 35 CA GLU A 292 18.859 1.857 15.170 1.00 0.00 C ATOM 36 C GLU A 292 19.335 1.261 13.848 1.00 0.00 C ATOM 37 O GLU A 292 20.435 1.557 13.381 1.00 0.00 O ATOM 38 CB GLU A 292 19.827 2.948 15.632 1.00 0.00 C ATOM 39 CG GLU A 292 19.475 4.333 15.113 1.00 0.00 C ATOM 40 CD GLU A 292 20.701 5.161 14.785 1.00 0.00 C ATOM 41 OE1 GLU A 292 21.747 4.958 15.434 1.00 0.00 O ATOM 42 OE2 GLU A 292 20.613 6.017 13.878 1.00 0.00 O ATOM 0 H GLU A 292 19.614 0.574 16.646 1.00 0.00 H new ATOM 0 HA GLU A 292 17.875 2.298 15.013 1.00 0.00 H new ATOM 0 HB2 GLU A 292 19.843 2.971 16.722 1.00 0.00 H new ATOM 0 HB3 GLU A 292 20.834 2.691 15.304 1.00 0.00 H new ATOM 0 HG2 GLU A 292 18.857 4.236 14.220 1.00 0.00 H new ATOM 0 HG3 GLU A 292 18.877 4.856 15.860 1.00 0.00 H new ATOM 49 N GLU A 293 18.500 0.418 13.250 1.00 0.00 N ATOM 50 CA GLU A 293 18.834 -0.221 11.983 1.00 0.00 C ATOM 51 C GLU A 293 19.029 0.820 10.884 1.00 0.00 C ATOM 52 O GLU A 293 19.094 2.019 11.157 1.00 0.00 O ATOM 53 CB GLU A 293 17.737 -1.207 11.579 1.00 0.00 C ATOM 54 CG GLU A 293 17.295 -2.122 12.710 1.00 0.00 C ATOM 55 CD GLU A 293 17.171 -3.569 12.275 1.00 0.00 C ATOM 56 OE1 GLU A 293 16.096 -3.945 11.762 1.00 0.00 O ATOM 57 OE2 GLU A 293 18.149 -4.327 12.448 1.00 0.00 O ATOM 0 H GLU A 293 17.586 0.161 13.623 1.00 0.00 H new ATOM 0 HA GLU A 293 19.770 -0.765 12.115 1.00 0.00 H new ATOM 0 HB2 GLU A 293 16.874 -0.649 11.216 1.00 0.00 H new ATOM 0 HB3 GLU A 293 18.095 -1.816 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 293 18.011 -2.053 13.529 1.00 0.00 H new ATOM 0 HG3 GLU A 293 16.335 -1.779 13.096 1.00 0.00 H new ATOM 64 N ASP A 294 19.122 0.355 9.644 1.00 0.00 N ATOM 65 CA ASP A 294 19.310 1.246 8.504 1.00 0.00 C ATOM 66 C ASP A 294 18.166 1.096 7.501 1.00 0.00 C ATOM 67 O ASP A 294 17.880 -0.009 7.041 1.00 0.00 O ATOM 68 CB ASP A 294 20.646 0.955 7.818 1.00 0.00 C ATOM 69 CG ASP A 294 21.103 2.098 6.933 1.00 0.00 C ATOM 70 OD1 ASP A 294 20.350 2.469 6.008 1.00 0.00 O ATOM 71 OD2 ASP A 294 22.214 2.619 7.163 1.00 0.00 O ATOM 0 H ASP A 294 19.070 -0.634 9.401 1.00 0.00 H new ATOM 0 HA ASP A 294 19.314 2.272 8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 294 21.405 0.760 8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 294 20.554 0.049 7.218 1.00 0.00 H new ATOM 76 N PRO A 295 17.493 2.207 7.146 1.00 0.00 N ATOM 77 CA PRO A 295 16.380 2.181 6.193 1.00 0.00 C ATOM 78 C PRO A 295 16.850 1.970 4.757 1.00 0.00 C ATOM 79 O PRO A 295 17.455 2.857 4.155 1.00 0.00 O ATOM 80 CB PRO A 295 15.750 3.564 6.351 1.00 0.00 C ATOM 81 CG PRO A 295 16.869 4.438 6.798 1.00 0.00 C ATOM 82 CD PRO A 295 17.763 3.571 7.644 1.00 0.00 C ATOM 0 HA PRO A 295 15.693 1.358 6.390 1.00 0.00 H new ATOM 0 HB2 PRO A 295 15.324 3.915 5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 295 14.942 3.550 7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 295 17.413 4.842 5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 295 16.496 5.288 7.370 1.00 0.00 H new ATOM 0 HD2 PRO A 295 18.812 3.841 7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 295 17.527 3.665 8.704 1.00 0.00 H new ATOM 90 N GLU A 296 16.567 0.791 4.215 1.00 0.00 N ATOM 91 CA GLU A 296 16.961 0.462 2.849 1.00 0.00 C ATOM 92 C GLU A 296 15.741 0.368 1.936 1.00 0.00 C ATOM 93 O GLU A 296 15.838 0.600 0.731 1.00 0.00 O ATOM 94 CB GLU A 296 17.736 -0.855 2.824 1.00 0.00 C ATOM 95 CG GLU A 296 19.024 -0.817 3.630 1.00 0.00 C ATOM 96 CD GLU A 296 19.502 -2.200 4.029 1.00 0.00 C ATOM 97 OE1 GLU A 296 18.677 -3.138 4.023 1.00 0.00 O ATOM 98 OE2 GLU A 296 20.701 -2.344 4.351 1.00 0.00 O ATOM 0 H GLU A 296 16.066 0.047 4.700 1.00 0.00 H new ATOM 0 HA GLU A 296 17.604 1.261 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 296 17.098 -1.650 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 296 17.971 -1.109 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 296 19.800 -0.323 3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 296 18.870 -0.217 4.527 1.00 0.00 H new ATOM 105 N ILE A 297 14.595 0.024 2.516 1.00 0.00 N ATOM 106 CA ILE A 297 13.358 -0.102 1.754 1.00 0.00 C ATOM 107 C ILE A 297 13.028 1.192 1.020 1.00 0.00 C ATOM 108 O ILE A 297 13.080 1.253 -0.209 1.00 0.00 O ATOM 109 CB ILE A 297 12.173 -0.482 2.665 1.00 0.00 C ATOM 110 CG1 ILE A 297 12.482 -1.769 3.433 1.00 0.00 C ATOM 111 CG2 ILE A 297 10.899 -0.642 1.847 1.00 0.00 C ATOM 112 CD1 ILE A 297 11.367 -2.204 4.359 1.00 0.00 C ATOM 0 H ILE A 297 14.498 -0.173 3.512 1.00 0.00 H new ATOM 0 HA ILE A 297 13.516 -0.897 1.025 1.00 0.00 H new ATOM 0 HB ILE A 297 12.020 0.322 3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 297 12.683 -2.568 2.720 1.00 0.00 H new ATOM 0 HG13 ILE A 297 13.392 -1.625 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 297 10.074 -0.910 2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.670 0.297 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 297 11.040 -1.428 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 297 11.656 -3.123 4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 297 11.180 -1.423 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 297 10.461 -2.381 3.780 1.00 0.00 H new ATOM 124 N SER A 298 12.688 2.221 1.783 1.00 0.00 N ATOM 125 CA SER A 298 12.343 3.521 1.215 1.00 0.00 C ATOM 126 C SER A 298 11.015 3.453 0.467 1.00 0.00 C ATOM 127 O SER A 298 10.387 2.397 0.390 1.00 0.00 O ATOM 128 CB SER A 298 13.448 4.006 0.272 1.00 0.00 C ATOM 129 OG SER A 298 13.286 5.378 -0.042 1.00 0.00 O ATOM 0 H SER A 298 12.643 2.183 2.801 1.00 0.00 H new ATOM 0 HA SER A 298 12.243 4.230 2.037 1.00 0.00 H new ATOM 0 HB2 SER A 298 14.421 3.849 0.736 1.00 0.00 H new ATOM 0 HB3 SER A 298 13.433 3.416 -0.644 1.00 0.00 H new ATOM 0 HG SER A 298 14.005 5.663 -0.644 1.00 0.00 H new ATOM 135 N LEU A 299 10.594 4.589 -0.079 1.00 0.00 N ATOM 136 CA LEU A 299 9.339 4.666 -0.821 1.00 0.00 C ATOM 137 C LEU A 299 9.437 3.944 -2.164 1.00 0.00 C ATOM 138 O LEU A 299 8.423 3.649 -2.796 1.00 0.00 O ATOM 139 CB LEU A 299 8.952 6.129 -1.046 1.00 0.00 C ATOM 140 CG LEU A 299 7.990 6.712 -0.006 1.00 0.00 C ATOM 141 CD1 LEU A 299 8.616 7.913 0.688 1.00 0.00 C ATOM 142 CD2 LEU A 299 6.670 7.099 -0.656 1.00 0.00 C ATOM 0 H LEU A 299 11.104 5.471 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 299 8.570 4.172 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 299 9.860 6.732 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 299 8.497 6.221 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 299 7.792 5.947 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 299 7.918 8.313 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 299 9.534 7.606 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 299 8.845 8.681 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 299 6.000 7.511 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 299 6.850 7.847 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 299 6.213 6.217 -1.104 1.00 0.00 H new ATOM 154 N ALA A 300 10.663 3.671 -2.598 1.00 0.00 N ATOM 155 CA ALA A 300 10.896 2.996 -3.871 1.00 0.00 C ATOM 156 C ALA A 300 10.249 1.614 -3.916 1.00 0.00 C ATOM 157 O ALA A 300 10.049 1.053 -4.993 1.00 0.00 O ATOM 158 CB ALA A 300 12.389 2.884 -4.138 1.00 0.00 C ATOM 0 H ALA A 300 11.513 3.907 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 300 10.431 3.599 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 300 12.551 2.379 -5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.827 3.881 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.860 2.312 -3.339 1.00 0.00 H new ATOM 164 N ASP A 301 9.929 1.063 -2.749 1.00 0.00 N ATOM 165 CA ASP A 301 9.315 -0.259 -2.678 1.00 0.00 C ATOM 166 C ASP A 301 7.833 -0.177 -2.309 1.00 0.00 C ATOM 167 O ASP A 301 7.122 -1.181 -2.350 1.00 0.00 O ATOM 168 CB ASP A 301 10.053 -1.128 -1.659 1.00 0.00 C ATOM 169 CG ASP A 301 11.242 -1.847 -2.265 1.00 0.00 C ATOM 170 OD1 ASP A 301 11.046 -2.596 -3.246 1.00 0.00 O ATOM 171 OD2 ASP A 301 12.369 -1.662 -1.760 1.00 0.00 O ATOM 0 H ASP A 301 10.083 1.508 -1.844 1.00 0.00 H new ATOM 0 HA ASP A 301 9.391 -0.710 -3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 301 10.392 -0.504 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.362 -1.861 -1.243 1.00 0.00 H new ATOM 176 N TYR A 302 7.372 1.015 -1.940 1.00 0.00 N ATOM 177 CA TYR A 302 5.979 1.210 -1.557 1.00 0.00 C ATOM 178 C TYR A 302 5.027 0.769 -2.656 1.00 0.00 C ATOM 179 O TYR A 302 5.450 0.383 -3.745 1.00 0.00 O ATOM 180 CB TYR A 302 5.726 2.676 -1.234 1.00 0.00 C ATOM 181 CG TYR A 302 6.190 3.058 0.142 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.312 2.459 0.690 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.512 4.007 0.895 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.750 2.783 1.947 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.947 4.345 2.162 1.00 0.00 C ATOM 186 CZ TYR A 302 7.067 3.729 2.685 1.00 0.00 C ATOM 187 OH TYR A 302 7.506 4.060 3.947 1.00 0.00 O ATOM 0 H TYR A 302 7.943 1.859 -1.898 1.00 0.00 H new ATOM 0 HA TYR A 302 5.794 0.596 -0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.235 3.298 -1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.660 2.884 -1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.852 1.722 0.115 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.635 4.486 0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.625 2.301 2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.415 5.086 2.740 1.00 0.00 H new ATOM 0 HH TYR A 302 6.916 4.742 4.330 1.00 0.00 H new ATOM 197 N TRP A 303 3.735 0.855 -2.367 1.00 0.00 N ATOM 198 CA TRP A 303 2.718 0.491 -3.337 1.00 0.00 C ATOM 199 C TRP A 303 1.607 1.526 -3.355 1.00 0.00 C ATOM 200 O TRP A 303 1.523 2.381 -2.471 1.00 0.00 O ATOM 201 CB TRP A 303 2.145 -0.896 -3.049 1.00 0.00 C ATOM 202 CG TRP A 303 1.694 -1.099 -1.632 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.476 -1.364 -0.537 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.342 -1.071 -1.164 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.685 -1.500 0.582 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.370 -1.325 0.221 1.00 0.00 C ATOM 207 CE3 TRP A 303 -0.892 -0.855 -1.785 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.792 -1.368 0.992 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -2.042 -0.897 -1.019 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.986 -1.152 0.355 1.00 0.00 C ATOM 0 H TRP A 303 3.370 1.173 -1.469 1.00 0.00 H new ATOM 0 HA TRP A 303 3.190 0.462 -4.319 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.300 -1.072 -3.715 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.901 -1.645 -3.288 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.552 -1.453 -0.550 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.020 -1.698 1.525 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -0.946 -0.659 -2.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.752 -1.565 2.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -3.000 -0.730 -1.489 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.902 -1.179 0.926 1.00 0.00 H new ATOM 221 N LYS A 304 0.762 1.449 -4.372 1.00 0.00 N ATOM 222 CA LYS A 304 -0.343 2.388 -4.515 1.00 0.00 C ATOM 223 C LYS A 304 -1.685 1.700 -4.321 1.00 0.00 C ATOM 224 O LYS A 304 -2.122 0.915 -5.164 1.00 0.00 O ATOM 225 CB LYS A 304 -0.304 3.064 -5.886 1.00 0.00 C ATOM 226 CG LYS A 304 -1.324 4.182 -6.036 1.00 0.00 C ATOM 227 CD LYS A 304 -0.726 5.532 -5.674 1.00 0.00 C ATOM 228 CE LYS A 304 0.337 5.960 -6.675 1.00 0.00 C ATOM 229 NZ LYS A 304 1.701 5.942 -6.079 1.00 0.00 N ATOM 0 H LYS A 304 0.819 0.747 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.229 3.145 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.694 3.467 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -0.481 2.315 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -1.689 4.208 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.184 3.980 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -1.516 6.282 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -0.288 5.481 -4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 304 0.310 5.296 -7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 304 0.112 6.963 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 2.399 5.716 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 1.915 6.875 -5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 1.743 5.221 -5.330 1.00 0.00 H new ATOM 243 N CYS A 305 -2.338 2.009 -3.210 1.00 0.00 N ATOM 244 CA CYS A 305 -3.642 1.430 -2.906 1.00 0.00 C ATOM 245 C CYS A 305 -4.654 1.813 -3.988 1.00 0.00 C ATOM 246 O CYS A 305 -4.927 2.991 -4.211 1.00 0.00 O ATOM 247 CB CYS A 305 -4.082 1.881 -1.505 1.00 0.00 C ATOM 248 SG CYS A 305 -5.854 2.143 -1.268 1.00 0.00 S ATOM 0 H CYS A 305 -1.988 2.656 -2.504 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.580 0.342 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.747 1.135 -0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -3.564 2.810 -1.266 1.00 0.00 H new ATOM 254 N THR A 306 -5.178 0.802 -4.677 1.00 0.00 N ATOM 255 CA THR A 306 -6.131 1.013 -5.769 1.00 0.00 C ATOM 256 C THR A 306 -7.464 1.590 -5.292 1.00 0.00 C ATOM 257 O THR A 306 -8.306 1.965 -6.109 1.00 0.00 O ATOM 258 CB THR A 306 -6.377 -0.304 -6.506 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.032 -1.235 -5.664 1.00 0.00 O ATOM 260 CG2 THR A 306 -5.106 -0.954 -7.010 1.00 0.00 C ATOM 0 H THR A 306 -4.958 -0.178 -4.498 1.00 0.00 H new ATOM 0 HA THR A 306 -5.685 1.746 -6.441 1.00 0.00 H new ATOM 0 HB THR A 306 -6.997 -0.044 -7.364 1.00 0.00 H new ATOM 0 HG1 THR A 306 -7.182 -2.070 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 306 -5.352 -1.884 -7.523 1.00 0.00 H new ATOM 0 HG22 THR A 306 -4.602 -0.280 -7.702 1.00 0.00 H new ATOM 0 HG23 THR A 306 -4.448 -1.167 -6.168 1.00 0.00 H new ATOM 268 N SER A 307 -7.664 1.661 -3.982 1.00 0.00 N ATOM 269 CA SER A 307 -8.904 2.193 -3.438 1.00 0.00 C ATOM 270 C SER A 307 -8.902 3.716 -3.467 1.00 0.00 C ATOM 271 O SER A 307 -9.578 4.334 -4.289 1.00 0.00 O ATOM 272 CB SER A 307 -9.111 1.697 -2.005 1.00 0.00 C ATOM 273 OG SER A 307 -10.295 0.925 -1.898 1.00 0.00 O ATOM 0 H SER A 307 -6.987 1.359 -3.281 1.00 0.00 H new ATOM 0 HA SER A 307 -9.726 1.838 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 307 -8.254 1.098 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 307 -9.166 2.548 -1.327 1.00 0.00 H new ATOM 0 HG SER A 307 -10.403 0.619 -0.973 1.00 0.00 H new ATOM 279 N CYS A 308 -8.140 4.310 -2.562 1.00 0.00 N ATOM 280 CA CYS A 308 -8.048 5.764 -2.476 1.00 0.00 C ATOM 281 C CYS A 308 -6.826 6.304 -3.216 1.00 0.00 C ATOM 282 O CYS A 308 -6.744 7.502 -3.487 1.00 0.00 O ATOM 283 CB CYS A 308 -8.020 6.217 -1.014 1.00 0.00 C ATOM 284 SG CYS A 308 -6.795 5.366 0.006 1.00 0.00 S ATOM 0 H CYS A 308 -7.575 3.810 -1.875 1.00 0.00 H new ATOM 0 HA CYS A 308 -8.936 6.172 -2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -7.821 7.288 -0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -9.008 6.063 -0.579 1.00 0.00 H new ATOM 290 N ASN A 309 -5.872 5.422 -3.535 1.00 0.00 N ATOM 291 CA ASN A 309 -4.653 5.819 -4.240 1.00 0.00 C ATOM 292 C ASN A 309 -3.602 6.321 -3.259 1.00 0.00 C ATOM 293 O ASN A 309 -2.842 7.241 -3.563 1.00 0.00 O ATOM 294 CB ASN A 309 -4.946 6.894 -5.292 1.00 0.00 C ATOM 295 CG ASN A 309 -4.116 6.717 -6.548 1.00 0.00 C ATOM 296 OD1 ASN A 309 -3.132 7.589 -6.734 1.00 0.00 O flip ATOM 297 ND2 ASN A 309 -4.355 5.807 -7.341 1.00 0.00 N flip ATOM 0 H ASN A 309 -5.923 4.427 -3.315 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.265 4.937 -4.750 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.004 6.865 -5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.750 7.878 -4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -5.121 5.159 -7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -3.787 5.700 -8.181 1.00 0.00 H new ATOM 304 N GLU A 310 -3.558 5.703 -2.085 1.00 0.00 N ATOM 305 CA GLU A 310 -2.592 6.080 -1.062 1.00 0.00 C ATOM 306 C GLU A 310 -1.302 5.297 -1.244 1.00 0.00 C ATOM 307 O GLU A 310 -1.293 4.233 -1.862 1.00 0.00 O ATOM 308 CB GLU A 310 -3.152 5.819 0.338 1.00 0.00 C ATOM 309 CG GLU A 310 -2.662 6.805 1.387 1.00 0.00 C ATOM 310 CD GLU A 310 -3.689 7.873 1.708 1.00 0.00 C ATOM 311 OE1 GLU A 310 -4.860 7.515 1.959 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.324 9.068 1.709 1.00 0.00 O ATOM 0 H GLU A 310 -4.180 4.939 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.388 7.146 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -4.241 5.857 0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.880 4.809 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.409 6.264 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.747 7.281 1.034 1.00 0.00 H new ATOM 319 N MET A 311 -0.218 5.818 -0.693 1.00 0.00 N ATOM 320 CA MET A 311 1.066 5.154 -0.785 1.00 0.00 C ATOM 321 C MET A 311 1.360 4.430 0.518 1.00 0.00 C ATOM 322 O MET A 311 1.079 4.942 1.601 1.00 0.00 O ATOM 323 CB MET A 311 2.174 6.162 -1.096 1.00 0.00 C ATOM 324 CG MET A 311 2.137 6.685 -2.525 1.00 0.00 C ATOM 325 SD MET A 311 3.701 6.458 -3.393 1.00 0.00 S ATOM 326 CE MET A 311 4.048 4.742 -3.018 1.00 0.00 C ATOM 0 H MET A 311 -0.204 6.698 -0.178 1.00 0.00 H new ATOM 0 HA MET A 311 1.031 4.429 -1.598 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.092 7.003 -0.408 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.141 5.694 -0.914 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.345 6.175 -3.073 1.00 0.00 H new ATOM 0 HG3 MET A 311 1.884 7.745 -2.513 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.676 4.318 -3.801 1.00 0.00 H new ATOM 0 HE2 MET A 311 4.567 4.676 -2.062 1.00 0.00 H new ATOM 0 HE3 MET A 311 3.112 4.185 -2.962 1.00 0.00 H new ATOM 336 N ASN A 312 1.906 3.230 0.412 1.00 0.00 N ATOM 337 CA ASN A 312 2.211 2.432 1.588 1.00 0.00 C ATOM 338 C ASN A 312 3.502 1.656 1.397 1.00 0.00 C ATOM 339 O ASN A 312 3.902 1.371 0.270 1.00 0.00 O ATOM 340 CB ASN A 312 1.070 1.459 1.859 1.00 0.00 C ATOM 341 CG ASN A 312 -0.216 2.164 2.249 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.419 2.511 3.412 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.092 2.377 1.274 1.00 0.00 N ATOM 0 H ASN A 312 2.147 2.787 -0.475 1.00 0.00 H new ATOM 0 HA ASN A 312 2.332 3.105 2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.894 0.855 0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 312 1.362 0.775 2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -1.975 2.846 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -0.882 2.072 0.324 1.00 0.00 H new ATOM 350 N PRO A 313 4.169 1.284 2.498 1.00 0.00 N ATOM 351 CA PRO A 313 5.407 0.526 2.429 1.00 0.00 C ATOM 352 C PRO A 313 5.151 -0.946 2.153 1.00 0.00 C ATOM 353 O PRO A 313 4.008 -1.401 2.162 1.00 0.00 O ATOM 354 CB PRO A 313 6.011 0.719 3.818 1.00 0.00 C ATOM 355 CG PRO A 313 4.834 0.868 4.710 1.00 0.00 C ATOM 356 CD PRO A 313 3.769 1.559 3.893 1.00 0.00 C ATOM 0 HA PRO A 313 6.058 0.860 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.624 -0.134 4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.652 1.600 3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.486 -0.104 5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 313 5.087 1.454 5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.777 1.164 4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.738 2.629 4.098 1.00 0.00 H new ATOM 364 N PRO A 314 6.217 -1.705 1.890 1.00 0.00 N ATOM 365 CA PRO A 314 6.115 -3.135 1.603 1.00 0.00 C ATOM 366 C PRO A 314 5.825 -3.968 2.850 1.00 0.00 C ATOM 367 O PRO A 314 5.362 -5.105 2.751 1.00 0.00 O ATOM 368 CB PRO A 314 7.488 -3.481 1.029 1.00 0.00 C ATOM 369 CG PRO A 314 8.417 -2.469 1.605 1.00 0.00 C ATOM 370 CD PRO A 314 7.611 -1.220 1.841 1.00 0.00 C ATOM 0 HA PRO A 314 5.289 -3.354 0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.787 -4.492 1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.482 -3.436 -0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.852 -2.830 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 314 9.244 -2.272 0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.897 -0.729 2.771 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.754 -0.494 1.041 1.00 0.00 H new ATOM 378 N LEU A 315 6.117 -3.409 4.025 1.00 0.00 N ATOM 379 CA LEU A 315 5.905 -4.119 5.286 1.00 0.00 C ATOM 380 C LEU A 315 4.470 -4.638 5.416 1.00 0.00 C ATOM 381 O LEU A 315 4.254 -5.826 5.651 1.00 0.00 O ATOM 382 CB LEU A 315 6.242 -3.207 6.469 1.00 0.00 C ATOM 383 CG LEU A 315 7.602 -3.467 7.117 1.00 0.00 C ATOM 384 CD1 LEU A 315 7.966 -2.337 8.067 1.00 0.00 C ATOM 385 CD2 LEU A 315 7.595 -4.800 7.851 1.00 0.00 C ATOM 0 H LEU A 315 6.500 -2.469 4.129 1.00 0.00 H new ATOM 0 HA LEU A 315 6.570 -4.982 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 315 6.209 -2.171 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 315 5.467 -3.319 7.227 1.00 0.00 H new ATOM 0 HG LEU A 315 8.356 -3.510 6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 315 8.937 -2.540 8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 315 8.011 -1.398 7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 315 7.211 -2.262 8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 315 8.571 -4.970 8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 315 6.830 -4.784 8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 315 7.379 -5.603 7.146 1.00 0.00 H new ATOM 397 N PRO A 316 3.469 -3.753 5.272 1.00 0.00 N ATOM 398 CA PRO A 316 2.064 -4.123 5.381 1.00 0.00 C ATOM 399 C PRO A 316 1.482 -4.601 4.058 1.00 0.00 C ATOM 400 O PRO A 316 2.214 -4.887 3.111 1.00 0.00 O ATOM 401 CB PRO A 316 1.410 -2.814 5.810 1.00 0.00 C ATOM 402 CG PRO A 316 2.241 -1.748 5.178 1.00 0.00 C ATOM 403 CD PRO A 316 3.629 -2.317 4.999 1.00 0.00 C ATOM 0 HA PRO A 316 1.905 -4.953 6.070 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.375 -2.760 5.473 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.398 -2.715 6.895 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.820 -1.449 4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.268 -0.857 5.805 1.00 0.00 H new ATOM 0 HD2 PRO A 316 4.004 -2.143 3.990 1.00 0.00 H new ATOM 0 HD3 PRO A 316 4.339 -1.858 5.687 1.00 0.00 H new ATOM 411 N SER A 317 0.159 -4.683 4.000 1.00 0.00 N ATOM 412 CA SER A 317 -0.527 -5.124 2.794 1.00 0.00 C ATOM 413 C SER A 317 -1.701 -4.201 2.466 1.00 0.00 C ATOM 414 O SER A 317 -1.895 -3.821 1.314 1.00 0.00 O ATOM 415 CB SER A 317 -1.007 -6.565 2.960 1.00 0.00 C ATOM 416 OG SER A 317 0.086 -7.452 3.117 1.00 0.00 O ATOM 0 H SER A 317 -0.461 -4.449 4.776 1.00 0.00 H new ATOM 0 HA SER A 317 0.176 -5.082 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 317 -1.664 -6.635 3.827 1.00 0.00 H new ATOM 0 HB3 SER A 317 -1.595 -6.858 2.090 1.00 0.00 H new ATOM 0 HG SER A 317 -0.065 -8.256 2.577 1.00 0.00 H new ATOM 422 N HIS A 318 -2.471 -3.827 3.485 1.00 0.00 N ATOM 423 CA HIS A 318 -3.610 -2.929 3.283 1.00 0.00 C ATOM 424 C HIS A 318 -3.201 -1.491 3.527 1.00 0.00 C ATOM 425 O HIS A 318 -2.347 -1.201 4.366 1.00 0.00 O ATOM 426 CB HIS A 318 -4.807 -3.285 4.186 1.00 0.00 C ATOM 427 CG HIS A 318 -4.469 -4.207 5.299 1.00 0.00 C ATOM 428 ND1 HIS A 318 -4.939 -5.497 5.400 1.00 0.00 N ATOM 429 CD2 HIS A 318 -3.682 -4.007 6.354 1.00 0.00 C ATOM 430 CE1 HIS A 318 -4.442 -6.054 6.488 1.00 0.00 C ATOM 431 NE2 HIS A 318 -3.671 -5.166 7.091 1.00 0.00 N ATOM 0 H HIS A 318 -2.331 -4.127 4.450 1.00 0.00 H new ATOM 0 HA HIS A 318 -3.927 -3.052 2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -5.222 -2.367 4.602 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.587 -3.739 3.575 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -3.149 -3.098 6.588 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -4.632 -7.062 6.827 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -3.155 -5.316 7.958 1.00 0.00 H new ATOM 440 N CYS A 319 -3.823 -0.597 2.780 1.00 0.00 N ATOM 441 CA CYS A 319 -3.547 0.825 2.891 1.00 0.00 C ATOM 442 C CYS A 319 -3.695 1.285 4.340 1.00 0.00 C ATOM 443 O CYS A 319 -4.636 0.897 5.034 1.00 0.00 O ATOM 444 CB CYS A 319 -4.484 1.593 1.955 1.00 0.00 C ATOM 445 SG CYS A 319 -4.696 3.348 2.335 1.00 0.00 S ATOM 0 H CYS A 319 -4.529 -0.833 2.083 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.518 1.026 2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.106 1.503 0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.463 1.114 1.976 1.00 0.00 H new ATOM 450 N ASN A 320 -2.747 2.099 4.794 1.00 0.00 N ATOM 451 CA ASN A 320 -2.745 2.601 6.169 1.00 0.00 C ATOM 452 C ASN A 320 -3.735 3.748 6.367 1.00 0.00 C ATOM 453 O ASN A 320 -3.499 4.647 7.175 1.00 0.00 O ATOM 454 CB ASN A 320 -1.338 3.062 6.554 1.00 0.00 C ATOM 455 CG ASN A 320 -0.353 1.911 6.633 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.450 1.055 7.510 1.00 0.00 O ATOM 457 ND2 ASN A 320 0.602 1.887 5.711 1.00 0.00 N ATOM 0 H ASN A 320 -1.965 2.428 4.228 1.00 0.00 H new ATOM 0 HA ASN A 320 -3.058 1.781 6.815 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -0.984 3.789 5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.376 3.571 7.517 1.00 0.00 H new ATOM 0 HD21 ASN A 320 1.293 1.137 5.712 1.00 0.00 H new ATOM 0 HD22 ASN A 320 0.644 2.619 5.001 1.00 0.00 H new ATOM 464 N ARG A 321 -4.846 3.706 5.642 1.00 0.00 N ATOM 465 CA ARG A 321 -5.874 4.731 5.752 1.00 0.00 C ATOM 466 C ARG A 321 -7.251 4.092 5.637 1.00 0.00 C ATOM 467 O ARG A 321 -8.061 4.155 6.562 1.00 0.00 O ATOM 468 CB ARG A 321 -5.699 5.794 4.663 1.00 0.00 C ATOM 469 CG ARG A 321 -4.327 6.455 4.660 1.00 0.00 C ATOM 470 CD ARG A 321 -4.410 7.934 5.005 1.00 0.00 C ATOM 471 NE ARG A 321 -3.645 8.258 6.207 1.00 0.00 N ATOM 472 CZ ARG A 321 -3.209 9.481 6.504 1.00 0.00 C ATOM 473 NH1 ARG A 321 -3.464 10.500 5.692 1.00 0.00 N ATOM 474 NH2 ARG A 321 -2.519 9.686 7.617 1.00 0.00 N ATOM 0 H ARG A 321 -5.058 2.969 4.969 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.779 5.216 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -5.872 5.335 3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.461 6.562 4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -3.679 5.951 5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -3.869 6.336 3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -4.037 8.523 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -5.453 8.214 5.152 1.00 0.00 H new ATOM 0 HE ARG A 321 -3.432 7.502 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -3.996 10.349 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -3.127 11.434 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -2.322 8.907 8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -2.185 10.622 7.845 1.00 0.00 H new ATOM 488 N CYS A 322 -7.500 3.468 4.492 1.00 0.00 N ATOM 489 CA CYS A 322 -8.766 2.802 4.239 1.00 0.00 C ATOM 490 C CYS A 322 -8.661 1.292 4.488 1.00 0.00 C ATOM 491 O CYS A 322 -9.671 0.589 4.494 1.00 0.00 O ATOM 492 CB CYS A 322 -9.228 3.081 2.803 1.00 0.00 C ATOM 493 SG CYS A 322 -8.400 2.087 1.535 1.00 0.00 S ATOM 0 H CYS A 322 -6.835 3.411 3.721 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.506 3.200 4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.302 2.904 2.740 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -9.065 4.136 2.582 1.00 0.00 H new ATOM 498 N TRP A 323 -7.435 0.797 4.689 1.00 0.00 N ATOM 499 CA TRP A 323 -7.214 -0.628 4.932 1.00 0.00 C ATOM 500 C TRP A 323 -7.448 -1.436 3.658 1.00 0.00 C ATOM 501 O TRP A 323 -7.819 -2.608 3.716 1.00 0.00 O ATOM 502 CB TRP A 323 -8.144 -1.135 6.037 1.00 0.00 C ATOM 503 CG TRP A 323 -7.440 -1.830 7.164 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.825 -1.242 8.232 1.00 0.00 C ATOM 505 CD2 TRP A 323 -7.297 -3.245 7.345 1.00 0.00 C ATOM 506 NE1 TRP A 323 -6.310 -2.204 9.067 1.00 0.00 N ATOM 507 CE2 TRP A 323 -6.587 -3.440 8.545 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.699 -4.367 6.611 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -6.275 -4.709 9.028 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -7.387 -5.624 7.092 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.684 -5.786 8.293 1.00 0.00 C ATOM 0 H TRP A 323 -6.585 1.361 4.688 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.179 -0.757 5.248 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.705 -0.291 6.439 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.870 -1.821 5.599 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.754 -0.177 8.396 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.804 -2.027 9.935 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -8.243 -4.252 5.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -5.729 -4.837 9.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.690 -6.497 6.533 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -6.461 -6.782 8.645 1.00 0.00 H new ATOM 522 N ALA A 324 -7.229 -0.805 2.508 1.00 0.00 N ATOM 523 CA ALA A 324 -7.419 -1.471 1.226 1.00 0.00 C ATOM 524 C ALA A 324 -6.395 -2.579 1.040 1.00 0.00 C ATOM 525 O ALA A 324 -5.427 -2.422 0.295 1.00 0.00 O ATOM 526 CB ALA A 324 -7.323 -0.470 0.087 1.00 0.00 C ATOM 0 H ALA A 324 -6.920 0.165 2.439 1.00 0.00 H new ATOM 0 HA ALA A 324 -8.414 -1.915 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.467 -0.985 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.092 0.293 0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.340 0.001 0.099 1.00 0.00 H new ATOM 532 N LEU A 325 -6.607 -3.695 1.729 1.00 0.00 N ATOM 533 CA LEU A 325 -5.696 -4.827 1.645 1.00 0.00 C ATOM 534 C LEU A 325 -5.314 -5.113 0.199 1.00 0.00 C ATOM 535 O LEU A 325 -6.154 -5.493 -0.618 1.00 0.00 O ATOM 536 CB LEU A 325 -6.314 -6.057 2.309 1.00 0.00 C ATOM 537 CG LEU A 325 -5.336 -7.190 2.630 1.00 0.00 C ATOM 538 CD1 LEU A 325 -5.346 -8.233 1.527 1.00 0.00 C ATOM 539 CD2 LEU A 325 -3.929 -6.652 2.843 1.00 0.00 C ATOM 0 H LEU A 325 -7.402 -3.838 2.351 1.00 0.00 H new ATOM 0 HA LEU A 325 -4.781 -4.575 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.798 -5.745 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -7.095 -6.448 1.656 1.00 0.00 H new ATOM 0 HG LEU A 325 -5.661 -7.663 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -4.645 -9.030 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -6.349 -8.649 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -5.052 -7.769 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -3.254 -7.478 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -3.592 -6.146 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -3.931 -5.947 3.674 1.00 0.00 H new ATOM 551 N ARG A 326 -4.038 -4.899 -0.101 1.00 0.00 N ATOM 552 CA ARG A 326 -3.495 -5.097 -1.441 1.00 0.00 C ATOM 553 C ARG A 326 -4.068 -6.347 -2.115 1.00 0.00 C ATOM 554 O ARG A 326 -4.642 -7.212 -1.456 1.00 0.00 O ATOM 555 CB ARG A 326 -1.977 -5.213 -1.357 1.00 0.00 C ATOM 556 CG ARG A 326 -1.243 -4.156 -2.151 1.00 0.00 C ATOM 557 CD ARG A 326 0.240 -4.184 -1.842 1.00 0.00 C ATOM 558 NE ARG A 326 1.044 -3.892 -3.022 1.00 0.00 N ATOM 559 CZ ARG A 326 2.366 -4.041 -3.078 1.00 0.00 C ATOM 560 NH1 ARG A 326 3.038 -4.464 -2.014 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.017 -3.764 -4.199 1.00 0.00 N ATOM 0 H ARG A 326 -3.348 -4.582 0.580 1.00 0.00 H new ATOM 0 HA ARG A 326 -3.778 -4.237 -2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -1.673 -5.146 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -1.676 -6.198 -1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -1.400 -4.321 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -1.649 -3.172 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 326 0.462 -3.457 -1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.511 -5.164 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 326 0.565 -3.553 -3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 326 2.542 -4.676 -1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 326 4.051 -4.577 -2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 326 2.505 -3.437 -5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.030 -3.878 -4.242 1.00 0.00 H new ATOM 575 N GLU A 327 -3.891 -6.436 -3.430 1.00 0.00 N ATOM 576 CA GLU A 327 -4.377 -7.583 -4.191 1.00 0.00 C ATOM 577 C GLU A 327 -3.214 -8.341 -4.820 1.00 0.00 C ATOM 578 O GLU A 327 -3.199 -9.572 -4.840 1.00 0.00 O ATOM 579 CB GLU A 327 -5.357 -7.129 -5.275 1.00 0.00 C ATOM 580 CG GLU A 327 -6.629 -6.506 -4.724 1.00 0.00 C ATOM 581 CD GLU A 327 -7.488 -5.881 -5.806 1.00 0.00 C ATOM 582 OE1 GLU A 327 -6.934 -5.162 -6.664 1.00 0.00 O ATOM 583 OE2 GLU A 327 -8.716 -6.111 -5.795 1.00 0.00 O ATOM 0 H GLU A 327 -3.415 -5.729 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 327 -4.898 -8.252 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -4.860 -6.407 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -5.621 -7.985 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -7.207 -7.269 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -6.368 -5.746 -3.988 1.00 0.00 H new ATOM 590 N ASN A 328 -2.238 -7.595 -5.322 1.00 0.00 N ATOM 591 CA ASN A 328 -1.061 -8.188 -5.944 1.00 0.00 C ATOM 592 C ASN A 328 0.183 -7.887 -5.114 1.00 0.00 C ATOM 593 O ASN A 328 0.940 -6.967 -5.423 1.00 0.00 O ATOM 594 CB ASN A 328 -0.885 -7.657 -7.369 1.00 0.00 C ATOM 595 CG ASN A 328 -1.314 -8.665 -8.418 1.00 0.00 C ATOM 596 OD1 ASN A 328 -2.501 -8.952 -8.572 1.00 0.00 O ATOM 597 ND2 ASN A 328 -0.346 -9.209 -9.146 1.00 0.00 N ATOM 0 H ASN A 328 -2.239 -6.575 -5.310 1.00 0.00 H new ATOM 0 HA ASN A 328 -1.200 -9.268 -5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -1.467 -6.743 -7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 328 0.160 -7.393 -7.529 1.00 0.00 H new ATOM 0 HD21 ASN A 328 -0.573 -9.894 -9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 328 0.625 -8.942 -8.985 1.00 0.00 H new ATOM 604 N TRP A 329 0.382 -8.663 -4.054 1.00 0.00 N ATOM 605 CA TRP A 329 1.527 -8.476 -3.171 1.00 0.00 C ATOM 606 C TRP A 329 2.383 -9.734 -3.108 1.00 0.00 C ATOM 607 O TRP A 329 3.472 -9.785 -3.680 1.00 0.00 O ATOM 608 CB TRP A 329 1.081 -8.067 -1.758 1.00 0.00 C ATOM 609 CG TRP A 329 -0.261 -8.600 -1.338 1.00 0.00 C ATOM 610 CD1 TRP A 329 -1.431 -8.537 -2.039 1.00 0.00 C ATOM 611 CD2 TRP A 329 -0.575 -9.260 -0.103 1.00 0.00 C ATOM 612 NE1 TRP A 329 -2.440 -9.132 -1.331 1.00 0.00 N ATOM 613 CE2 TRP A 329 -1.943 -9.584 -0.138 1.00 0.00 C ATOM 614 CE3 TRP A 329 0.170 -9.616 1.025 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -2.581 -10.244 0.908 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -0.464 -10.270 2.065 1.00 0.00 C ATOM 617 CH2 TRP A 329 -1.828 -10.580 1.998 1.00 0.00 C ATOM 0 H TRP A 329 -0.236 -9.429 -3.785 1.00 0.00 H new ATOM 0 HA TRP A 329 2.129 -7.669 -3.587 1.00 0.00 H new ATOM 0 HB2 TRP A 329 1.831 -8.407 -1.044 1.00 0.00 H new ATOM 0 HB3 TRP A 329 1.057 -6.979 -1.701 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -1.544 -8.083 -3.012 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -3.407 -9.224 -1.642 1.00 0.00 H new ATOM 0 HE3 TRP A 329 1.223 -9.384 1.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -3.633 -10.482 0.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 0.101 -10.546 2.943 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -2.295 -11.095 2.825 1.00 0.00 H new ATOM 628 N LEU A 330 1.886 -10.746 -2.413 1.00 0.00 N ATOM 629 CA LEU A 330 2.609 -12.006 -2.276 1.00 0.00 C ATOM 630 C LEU A 330 2.060 -13.057 -3.239 1.00 0.00 C ATOM 631 O LEU A 330 0.852 -13.292 -3.291 1.00 0.00 O ATOM 632 CB LEU A 330 2.517 -12.519 -0.839 1.00 0.00 C ATOM 633 CG LEU A 330 2.806 -11.474 0.239 1.00 0.00 C ATOM 634 CD1 LEU A 330 2.355 -11.975 1.603 1.00 0.00 C ATOM 635 CD2 LEU A 330 4.287 -11.127 0.260 1.00 0.00 C ATOM 0 H LEU A 330 0.986 -10.722 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 330 3.655 -11.823 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 330 1.517 -12.921 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 330 3.216 -13.346 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 330 2.244 -10.570 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 330 2.569 -11.218 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 330 1.283 -12.174 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 330 2.889 -12.893 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 330 4.475 -10.382 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 330 4.868 -12.025 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 330 4.580 -10.726 -0.710 1.00 0.00 H new ATOM 647 N PRO A 331 2.942 -13.711 -4.018 1.00 0.00 N ATOM 648 CA PRO A 331 2.532 -14.742 -4.977 1.00 0.00 C ATOM 649 C PRO A 331 2.080 -16.027 -4.291 1.00 0.00 C ATOM 650 O PRO A 331 1.388 -16.851 -4.889 1.00 0.00 O ATOM 651 CB PRO A 331 3.802 -14.991 -5.795 1.00 0.00 C ATOM 652 CG PRO A 331 4.917 -14.628 -4.876 1.00 0.00 C ATOM 653 CD PRO A 331 4.403 -13.500 -4.025 1.00 0.00 C ATOM 0 HA PRO A 331 1.678 -14.425 -5.575 1.00 0.00 H new ATOM 0 HB2 PRO A 331 3.872 -16.032 -6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 331 3.818 -14.381 -6.698 1.00 0.00 H new ATOM 0 HG2 PRO A 331 5.208 -15.479 -4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 331 5.801 -14.323 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.818 -13.536 -3.018 1.00 0.00 H new ATOM 0 HD3 PRO A 331 4.666 -12.529 -4.444 1.00 0.00 H new ATOM 661 N GLU A 332 2.476 -16.195 -3.031 1.00 0.00 N ATOM 662 CA GLU A 332 2.110 -17.382 -2.264 1.00 0.00 C ATOM 663 C GLU A 332 0.597 -17.574 -2.244 1.00 0.00 C ATOM 664 O GLU A 332 -0.160 -16.613 -2.111 1.00 0.00 O ATOM 665 CB GLU A 332 2.640 -17.271 -0.832 1.00 0.00 C ATOM 666 CG GLU A 332 4.135 -17.006 -0.756 1.00 0.00 C ATOM 667 CD GLU A 332 4.475 -15.839 0.151 1.00 0.00 C ATOM 668 OE1 GLU A 332 4.317 -15.979 1.383 1.00 0.00 O ATOM 669 OE2 GLU A 332 4.899 -14.786 -0.368 1.00 0.00 O ATOM 0 H GLU A 332 3.050 -15.524 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 332 2.561 -18.249 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 332 2.111 -16.468 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 332 2.415 -18.194 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 332 4.641 -17.901 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 332 4.516 -16.806 -1.757 1.00 0.00 H new ATOM 676 N ASP A 333 0.164 -18.825 -2.379 1.00 0.00 N ATOM 677 CA ASP A 333 -1.259 -19.146 -2.379 1.00 0.00 C ATOM 678 C ASP A 333 -1.963 -18.495 -3.565 1.00 0.00 C ATOM 679 O ASP A 333 -1.627 -17.381 -3.963 1.00 0.00 O ATOM 680 CB ASP A 333 -1.908 -18.688 -1.070 1.00 0.00 C ATOM 681 CG ASP A 333 -2.980 -19.647 -0.591 1.00 0.00 C ATOM 682 OD1 ASP A 333 -3.915 -19.930 -1.369 1.00 0.00 O ATOM 683 OD2 ASP A 333 -2.884 -20.115 0.565 1.00 0.00 O ATOM 0 H ASP A 333 0.778 -19.632 -2.490 1.00 0.00 H new ATOM 0 HA ASP A 333 -1.362 -20.228 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 333 -1.141 -18.591 -0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 333 -2.345 -17.699 -1.211 1.00 0.00 H new ATOM 688 N LYS A 334 -2.942 -19.199 -4.123 1.00 0.00 N ATOM 689 CA LYS A 334 -3.693 -18.690 -5.265 1.00 0.00 C ATOM 690 C LYS A 334 -5.195 -18.804 -5.023 1.00 0.00 C ATOM 691 O LYS A 334 -5.631 -19.264 -3.968 1.00 0.00 O ATOM 692 CB LYS A 334 -3.309 -19.451 -6.535 1.00 0.00 C ATOM 693 CG LYS A 334 -1.809 -19.539 -6.760 1.00 0.00 C ATOM 694 CD LYS A 334 -1.454 -20.657 -7.729 1.00 0.00 C ATOM 695 CE LYS A 334 -1.063 -20.110 -9.093 1.00 0.00 C ATOM 696 NZ LYS A 334 -2.237 -19.564 -9.829 1.00 0.00 N ATOM 0 H LYS A 334 -3.234 -20.123 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 334 -3.443 -17.637 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -3.720 -20.459 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -3.769 -18.963 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -1.442 -18.589 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -1.307 -19.709 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -0.631 -21.245 -7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -2.304 -21.331 -7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -0.315 -19.326 -8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -0.601 -20.902 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -1.929 -19.201 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -2.940 -20.318 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -2.663 -18.792 -9.278 1.00 0.00 H new ATOM 710 N GLY A 335 -5.981 -18.380 -6.008 1.00 0.00 N ATOM 711 CA GLY A 335 -7.424 -18.443 -5.884 1.00 0.00 C ATOM 712 C GLY A 335 -8.125 -18.418 -7.229 1.00 0.00 C ATOM 713 O GLY A 335 -7.438 -18.585 -8.258 1.00 0.00 O ATOM 714 OXT GLY A 335 -9.359 -18.231 -7.252 1.00 0.00 O ATOM 0 H GLY A 335 -5.643 -17.994 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -7.700 -19.353 -5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -7.771 -17.603 -5.282 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.480 3.231 0.812 1.00 0.00 ZN