USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=7 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= -1.58! C(o=-1.6!,f=-7.5!) USER MOD Set 1.2: A 320 ASN : amide:sc= 0.00195 X(o=-1.6,f=-1.6) USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 302 TYR OH : rot 180:sc= 0 USER MOD Single : A 304 LYS NZ :NH3+ 180:sc= 0 (180deg=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 309 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.2) USER MOD Single : A 311 MET CE :methyl 162:sc= -2.08 (180deg=-3.05!) USER MOD Single : A 317 SER OG : rot -31:sc= 0.144 USER MOD Single : A 318 HIS : no HD1:sc= -4.37! K(o=-4.4!,f=-2.1) 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 3.604 -2.653 10.676 1.00 0.00 N ATOM 2 CA SER A 290 2.956 -2.271 11.957 1.00 0.00 C ATOM 3 C SER A 290 3.871 -2.559 13.143 1.00 0.00 C ATOM 4 O SER A 290 4.013 -1.734 14.046 1.00 0.00 O ATOM 5 CB SER A 290 1.650 -3.054 12.096 1.00 0.00 C ATOM 6 OG SER A 290 0.547 -2.296 11.628 1.00 0.00 O ATOM 0 HA SER A 290 2.753 -1.200 11.950 1.00 0.00 H new ATOM 0 HB2 SER A 290 1.719 -3.985 11.534 1.00 0.00 H new ATOM 0 HB3 SER A 290 1.493 -3.323 13.141 1.00 0.00 H new ATOM 0 HG SER A 290 -0.275 -2.820 11.726 1.00 0.00 H new ATOM 14 N PHE A 291 4.491 -3.734 13.135 1.00 0.00 N ATOM 15 CA PHE A 291 5.393 -4.131 14.210 1.00 0.00 C ATOM 16 C PHE A 291 6.623 -4.843 13.653 1.00 0.00 C ATOM 17 O PHE A 291 7.190 -5.724 14.302 1.00 0.00 O ATOM 18 CB PHE A 291 4.664 -5.038 15.205 1.00 0.00 C ATOM 19 CG PHE A 291 4.596 -4.471 16.595 1.00 0.00 C ATOM 20 CD1 PHE A 291 5.754 -4.133 17.276 1.00 0.00 C ATOM 21 CD2 PHE A 291 3.374 -4.276 17.218 1.00 0.00 C ATOM 22 CE1 PHE A 291 5.694 -3.611 18.555 1.00 0.00 C ATOM 23 CE2 PHE A 291 3.308 -3.754 18.496 1.00 0.00 C ATOM 24 CZ PHE A 291 4.469 -3.422 19.166 1.00 0.00 C ATOM 0 H PHE A 291 4.385 -4.429 12.396 1.00 0.00 H new ATOM 0 HA PHE A 291 5.724 -3.231 14.728 1.00 0.00 H new ATOM 0 HB2 PHE A 291 3.651 -5.219 14.845 1.00 0.00 H new ATOM 0 HB3 PHE A 291 5.167 -6.004 15.240 1.00 0.00 H new ATOM 0 HD1 PHE A 291 6.714 -4.279 16.803 1.00 0.00 H new ATOM 0 HD2 PHE A 291 2.463 -4.535 16.699 1.00 0.00 H new ATOM 0 HE1 PHE A 291 6.604 -3.351 19.076 1.00 0.00 H new ATOM 0 HE2 PHE A 291 2.349 -3.606 18.970 1.00 0.00 H new ATOM 0 HZ PHE A 291 4.420 -3.016 20.165 1.00 0.00 H new ATOM 34 N GLU A 292 7.030 -4.456 12.448 1.00 0.00 N ATOM 35 CA GLU A 292 8.192 -5.057 11.804 1.00 0.00 C ATOM 36 C GLU A 292 9.212 -3.989 11.419 1.00 0.00 C ATOM 37 O GLU A 292 8.898 -3.055 10.683 1.00 0.00 O ATOM 38 CB GLU A 292 7.763 -5.840 10.562 1.00 0.00 C ATOM 39 CG GLU A 292 7.052 -7.146 10.881 1.00 0.00 C ATOM 40 CD GLU A 292 5.711 -7.266 10.183 1.00 0.00 C ATOM 41 OE1 GLU A 292 5.681 -7.761 9.037 1.00 0.00 O ATOM 42 OE2 GLU A 292 4.691 -6.865 10.783 1.00 0.00 O ATOM 0 H GLU A 292 6.572 -3.729 11.898 1.00 0.00 H new ATOM 0 HA GLU A 292 8.658 -5.741 12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 292 7.104 -5.215 9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 292 8.643 -6.054 9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 292 7.687 -7.982 10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 292 6.905 -7.221 11.958 1.00 0.00 H new ATOM 49 N GLU A 293 10.433 -4.136 11.922 1.00 0.00 N ATOM 50 CA GLU A 293 11.499 -3.185 11.630 1.00 0.00 C ATOM 51 C GLU A 293 11.798 -3.142 10.135 1.00 0.00 C ATOM 52 O GLU A 293 11.429 -4.052 9.392 1.00 0.00 O ATOM 53 CB GLU A 293 12.765 -3.553 12.407 1.00 0.00 C ATOM 54 CG GLU A 293 12.604 -3.453 13.916 1.00 0.00 C ATOM 55 CD GLU A 293 13.874 -3.004 14.612 1.00 0.00 C ATOM 56 OE1 GLU A 293 14.570 -2.122 14.066 1.00 0.00 O ATOM 57 OE2 GLU A 293 14.172 -3.534 15.702 1.00 0.00 O ATOM 0 H GLU A 293 10.709 -4.904 12.534 1.00 0.00 H new ATOM 0 HA GLU A 293 11.165 -2.195 11.942 1.00 0.00 H new ATOM 0 HB2 GLU A 293 13.057 -4.571 12.148 1.00 0.00 H new ATOM 0 HB3 GLU A 293 13.578 -2.898 12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 293 11.801 -2.752 14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 293 12.302 -4.423 14.310 1.00 0.00 H new ATOM 64 N ASP A 294 12.467 -2.079 9.702 1.00 0.00 N ATOM 65 CA ASP A 294 12.815 -1.916 8.295 1.00 0.00 C ATOM 66 C ASP A 294 14.254 -2.357 8.032 1.00 0.00 C ATOM 67 O ASP A 294 15.196 -1.606 8.288 1.00 0.00 O ATOM 68 CB ASP A 294 12.633 -0.456 7.873 1.00 0.00 C ATOM 69 CG ASP A 294 11.282 0.099 8.282 1.00 0.00 C ATOM 70 OD1 ASP A 294 10.282 -0.642 8.187 1.00 0.00 O ATOM 71 OD2 ASP A 294 11.226 1.276 8.698 1.00 0.00 O ATOM 0 H ASP A 294 12.779 -1.318 10.305 1.00 0.00 H new ATOM 0 HA ASP A 294 12.149 -2.547 7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 294 13.422 0.150 8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 294 12.743 -0.377 6.792 1.00 0.00 H new ATOM 76 N PRO A 295 14.448 -3.586 7.520 1.00 0.00 N ATOM 77 CA PRO A 295 15.785 -4.117 7.231 1.00 0.00 C ATOM 78 C PRO A 295 16.494 -3.343 6.126 1.00 0.00 C ATOM 79 O PRO A 295 17.624 -2.887 6.300 1.00 0.00 O ATOM 80 CB PRO A 295 15.518 -5.559 6.788 1.00 0.00 C ATOM 81 CG PRO A 295 14.098 -5.571 6.340 1.00 0.00 C ATOM 82 CD PRO A 295 13.386 -4.553 7.185 1.00 0.00 C ATOM 0 HA PRO A 295 16.442 -4.041 8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 295 16.188 -5.854 5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 295 15.679 -6.259 7.608 1.00 0.00 H new ATOM 0 HG2 PRO A 295 14.021 -5.322 5.282 1.00 0.00 H new ATOM 0 HG3 PRO A 295 13.658 -6.560 6.467 1.00 0.00 H new ATOM 0 HD2 PRO A 295 12.568 -4.080 6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 295 12.955 -5.003 8.079 1.00 0.00 H new ATOM 90 N GLU A 296 15.823 -3.198 4.992 1.00 0.00 N ATOM 91 CA GLU A 296 16.383 -2.481 3.856 1.00 0.00 C ATOM 92 C GLU A 296 15.282 -1.975 2.930 1.00 0.00 C ATOM 93 O GLU A 296 15.470 -1.887 1.716 1.00 0.00 O ATOM 94 CB GLU A 296 17.346 -3.381 3.078 1.00 0.00 C ATOM 95 CG GLU A 296 18.431 -4.002 3.943 1.00 0.00 C ATOM 96 CD GLU A 296 19.476 -4.742 3.128 1.00 0.00 C ATOM 97 OE1 GLU A 296 19.643 -4.409 1.936 1.00 0.00 O ATOM 98 OE2 GLU A 296 20.126 -5.651 3.683 1.00 0.00 O ATOM 0 H GLU A 296 14.886 -3.569 4.834 1.00 0.00 H new ATOM 0 HA GLU A 296 16.931 -1.621 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 296 16.778 -4.176 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 296 17.814 -2.798 2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 296 18.917 -3.220 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 296 17.974 -4.692 4.653 1.00 0.00 H new ATOM 105 N ILE A 297 14.134 -1.641 3.509 1.00 0.00 N ATOM 106 CA ILE A 297 13.005 -1.142 2.734 1.00 0.00 C ATOM 107 C ILE A 297 13.209 0.323 2.356 1.00 0.00 C ATOM 108 O ILE A 297 13.963 1.045 3.009 1.00 0.00 O ATOM 109 CB ILE A 297 11.673 -1.318 3.511 1.00 0.00 C ATOM 110 CG1 ILE A 297 11.003 -2.629 3.103 1.00 0.00 C ATOM 111 CG2 ILE A 297 10.722 -0.148 3.280 1.00 0.00 C ATOM 112 CD1 ILE A 297 9.838 -3.014 3.988 1.00 0.00 C ATOM 0 H ILE A 297 13.961 -1.707 4.512 1.00 0.00 H new ATOM 0 HA ILE A 297 12.947 -1.730 1.818 1.00 0.00 H new ATOM 0 HB ILE A 297 11.909 -1.344 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 297 10.654 -2.544 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 297 11.744 -3.428 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.802 -0.311 3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 297 11.193 0.776 3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.490 -0.072 2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 297 9.411 -3.954 3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 297 10.184 -3.131 5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 297 9.078 -2.234 3.948 1.00 0.00 H new ATOM 124 N SER A 298 12.530 0.754 1.299 1.00 0.00 N ATOM 125 CA SER A 298 12.632 2.130 0.833 1.00 0.00 C ATOM 126 C SER A 298 11.258 2.686 0.469 1.00 0.00 C ATOM 127 O SER A 298 10.232 2.080 0.777 1.00 0.00 O ATOM 128 CB SER A 298 13.567 2.214 -0.376 1.00 0.00 C ATOM 129 OG SER A 298 14.241 3.460 -0.415 1.00 0.00 O ATOM 0 H SER A 298 11.902 0.168 0.748 1.00 0.00 H new ATOM 0 HA SER A 298 13.043 2.732 1.644 1.00 0.00 H new ATOM 0 HB2 SER A 298 14.295 1.404 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 298 12.994 2.078 -1.293 1.00 0.00 H new ATOM 0 HG SER A 298 14.833 3.487 -1.195 1.00 0.00 H new ATOM 135 N LEU A 299 11.247 3.843 -0.186 1.00 0.00 N ATOM 136 CA LEU A 299 9.998 4.480 -0.589 1.00 0.00 C ATOM 137 C LEU A 299 9.621 4.101 -2.019 1.00 0.00 C ATOM 138 O LEU A 299 8.449 4.137 -2.394 1.00 0.00 O ATOM 139 CB LEU A 299 10.116 6.001 -0.470 1.00 0.00 C ATOM 140 CG LEU A 299 8.785 6.748 -0.370 1.00 0.00 C ATOM 141 CD1 LEU A 299 8.937 7.997 0.485 1.00 0.00 C ATOM 142 CD2 LEU A 299 8.271 7.107 -1.756 1.00 0.00 C ATOM 0 H LEU A 299 12.088 4.358 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 299 9.212 4.126 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 299 10.714 6.236 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 299 10.662 6.377 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 299 8.057 6.093 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 299 7.980 8.516 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 299 9.260 7.715 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 299 9.680 8.657 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 299 7.323 7.638 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 299 8.998 7.744 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 299 8.123 6.196 -2.336 1.00 0.00 H new ATOM 154 N ALA A 300 10.624 3.743 -2.812 1.00 0.00 N ATOM 155 CA ALA A 300 10.405 3.365 -4.205 1.00 0.00 C ATOM 156 C ALA A 300 9.556 2.103 -4.320 1.00 0.00 C ATOM 157 O ALA A 300 8.854 1.906 -5.312 1.00 0.00 O ATOM 158 CB ALA A 300 11.739 3.166 -4.908 1.00 0.00 C ATOM 0 H ALA A 300 11.599 3.706 -2.514 1.00 0.00 H new ATOM 0 HA ALA A 300 9.860 4.176 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.565 2.884 -5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.310 4.094 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.300 2.377 -4.407 1.00 0.00 H new ATOM 164 N ASP A 301 9.628 1.249 -3.306 1.00 0.00 N ATOM 165 CA ASP A 301 8.869 0.003 -3.303 1.00 0.00 C ATOM 166 C ASP A 301 7.397 0.239 -2.968 1.00 0.00 C ATOM 167 O ASP A 301 6.574 -0.667 -3.098 1.00 0.00 O ATOM 168 CB ASP A 301 9.480 -0.982 -2.302 1.00 0.00 C ATOM 169 CG ASP A 301 10.466 -1.930 -2.954 1.00 0.00 C ATOM 170 OD1 ASP A 301 10.023 -2.823 -3.706 1.00 0.00 O ATOM 171 OD2 ASP A 301 11.682 -1.780 -2.712 1.00 0.00 O ATOM 0 H ASP A 301 10.203 1.395 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 301 8.920 -0.418 -4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 301 9.983 -0.427 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 301 8.684 -1.558 -1.831 1.00 0.00 H new ATOM 176 N TYR A 302 7.067 1.452 -2.531 1.00 0.00 N ATOM 177 CA TYR A 302 5.695 1.788 -2.172 1.00 0.00 C ATOM 178 C TYR A 302 4.716 1.432 -3.287 1.00 0.00 C ATOM 179 O TYR A 302 5.111 1.244 -4.438 1.00 0.00 O ATOM 180 CB TYR A 302 5.592 3.271 -1.835 1.00 0.00 C ATOM 181 CG TYR A 302 5.998 3.563 -0.415 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.098 2.929 0.137 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.283 4.451 0.375 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.481 3.167 1.432 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.659 4.698 1.680 1.00 0.00 C ATOM 186 CZ TYR A 302 6.761 4.052 2.206 1.00 0.00 C ATOM 187 OH TYR A 302 7.141 4.294 3.507 1.00 0.00 O ATOM 0 H TYR A 302 7.732 2.217 -2.418 1.00 0.00 H new ATOM 0 HA TYR A 302 5.426 1.198 -1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.224 3.841 -2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.568 3.607 -1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.665 2.234 -0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.421 4.956 -0.036 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.343 2.663 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.095 5.392 2.286 1.00 0.00 H new ATOM 0 HH TYR A 302 6.528 4.943 3.911 1.00 0.00 H new ATOM 197 N TRP A 303 3.438 1.342 -2.934 1.00 0.00 N ATOM 198 CA TRP A 303 2.398 1.010 -3.901 1.00 0.00 C ATOM 199 C TRP A 303 1.199 1.940 -3.750 1.00 0.00 C ATOM 200 O TRP A 303 1.048 2.616 -2.729 1.00 0.00 O ATOM 201 CB TRP A 303 1.955 -0.444 -3.722 1.00 0.00 C ATOM 202 CG TRP A 303 1.562 -0.777 -2.316 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.401 -1.005 -1.263 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.231 -0.922 -1.809 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.671 -1.281 -0.131 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.337 -1.236 -0.440 1.00 0.00 C ATOM 207 CE3 TRP A 303 -1.041 -0.816 -2.379 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.779 -1.444 0.365 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -2.149 -1.022 -1.577 1.00 0.00 C ATOM 210 CH2 TRP A 303 -2.012 -1.333 -0.219 1.00 0.00 C ATOM 0 H TRP A 303 3.097 1.494 -1.985 1.00 0.00 H new ATOM 0 HA TRP A 303 2.811 1.138 -4.902 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.112 -0.643 -4.384 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.766 -1.104 -4.031 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.479 -0.973 -1.312 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.060 -1.486 0.790 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -1.156 -0.578 -3.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.676 -1.684 1.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -3.137 -0.942 -2.006 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.897 -1.489 0.380 1.00 0.00 H new ATOM 221 N LYS A 304 0.352 1.975 -4.775 1.00 0.00 N ATOM 222 CA LYS A 304 -0.833 2.826 -4.760 1.00 0.00 C ATOM 223 C LYS A 304 -2.086 2.021 -4.425 1.00 0.00 C ATOM 224 O LYS A 304 -2.370 1.004 -5.059 1.00 0.00 O ATOM 225 CB LYS A 304 -1.005 3.515 -6.114 1.00 0.00 C ATOM 226 CG LYS A 304 -2.065 4.605 -6.110 1.00 0.00 C ATOM 227 CD LYS A 304 -1.913 5.535 -7.302 1.00 0.00 C ATOM 228 CE LYS A 304 -0.726 6.470 -7.132 1.00 0.00 C ATOM 229 NZ LYS A 304 -1.143 7.822 -6.671 1.00 0.00 N ATOM 0 H LYS A 304 0.465 1.424 -5.626 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.694 3.581 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 304 -0.051 3.948 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -1.267 2.767 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -3.056 4.150 -6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -1.993 5.180 -5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -1.786 4.946 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -2.824 6.121 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 304 -0.027 6.042 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 304 -0.195 6.558 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 -0.304 8.428 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 -1.790 8.242 -7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -1.627 7.742 -5.754 1.00 0.00 H new ATOM 243 N CYS A 305 -2.835 2.483 -3.428 1.00 0.00 N ATOM 244 CA CYS A 305 -4.060 1.805 -3.016 1.00 0.00 C ATOM 245 C CYS A 305 -5.064 1.759 -4.165 1.00 0.00 C ATOM 246 O CYS A 305 -5.380 2.784 -4.769 1.00 0.00 O ATOM 247 CB CYS A 305 -4.681 2.503 -1.805 1.00 0.00 C ATOM 248 SG CYS A 305 -5.978 1.543 -0.992 1.00 0.00 S ATOM 0 H CYS A 305 -2.616 3.322 -2.891 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.803 0.783 -2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.896 2.720 -1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -5.096 3.460 -2.123 1.00 0.00 H new ATOM 254 N THR A 306 -5.553 0.561 -4.464 1.00 0.00 N ATOM 255 CA THR A 306 -6.510 0.367 -5.550 1.00 0.00 C ATOM 256 C THR A 306 -7.896 0.924 -5.218 1.00 0.00 C ATOM 257 O THR A 306 -8.811 0.834 -6.036 1.00 0.00 O ATOM 258 CB THR A 306 -6.622 -1.119 -5.888 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.105 -1.852 -4.776 1.00 0.00 O ATOM 260 CG2 THR A 306 -5.308 -1.739 -6.310 1.00 0.00 C ATOM 0 H THR A 306 -5.302 -0.294 -3.968 1.00 0.00 H new ATOM 0 HA THR A 306 -6.133 0.920 -6.410 1.00 0.00 H new ATOM 0 HB THR A 306 -7.316 -1.171 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 306 -7.171 -2.801 -5.013 1.00 0.00 H new ATOM 0 HG21 THR A 306 -5.460 -2.795 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 306 -4.933 -1.229 -7.197 1.00 0.00 H new ATOM 0 HG23 THR A 306 -4.583 -1.641 -5.502 1.00 0.00 H new ATOM 268 N SER A 307 -8.061 1.497 -4.027 1.00 0.00 N ATOM 269 CA SER A 307 -9.350 2.050 -3.634 1.00 0.00 C ATOM 270 C SER A 307 -9.259 3.554 -3.420 1.00 0.00 C ATOM 271 O SER A 307 -9.971 4.328 -4.060 1.00 0.00 O ATOM 272 CB SER A 307 -9.850 1.372 -2.357 1.00 0.00 C ATOM 273 OG SER A 307 -11.266 1.324 -2.326 1.00 0.00 O ATOM 0 H SER A 307 -7.326 1.589 -3.326 1.00 0.00 H new ATOM 0 HA SER A 307 -10.057 1.861 -4.442 1.00 0.00 H new ATOM 0 HB2 SER A 307 -9.447 0.361 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 307 -9.482 1.914 -1.486 1.00 0.00 H new ATOM 0 HG SER A 307 -11.560 0.885 -1.501 1.00 0.00 H new ATOM 279 N CYS A 308 -8.391 3.955 -2.506 1.00 0.00 N ATOM 280 CA CYS A 308 -8.211 5.364 -2.188 1.00 0.00 C ATOM 281 C CYS A 308 -7.032 5.981 -2.947 1.00 0.00 C ATOM 282 O CYS A 308 -6.901 7.203 -3.010 1.00 0.00 O ATOM 283 CB CYS A 308 -8.029 5.525 -0.677 1.00 0.00 C ATOM 284 SG CYS A 308 -6.358 5.188 -0.076 1.00 0.00 S ATOM 0 H CYS A 308 -7.797 3.323 -1.969 1.00 0.00 H new ATOM 0 HA CYS A 308 -9.104 5.901 -2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -8.302 6.543 -0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.725 4.858 -0.168 1.00 0.00 H new ATOM 290 N ASN A 309 -6.181 5.137 -3.527 1.00 0.00 N ATOM 291 CA ASN A 309 -5.026 5.616 -4.280 1.00 0.00 C ATOM 292 C ASN A 309 -4.056 6.392 -3.387 1.00 0.00 C ATOM 293 O ASN A 309 -3.827 7.586 -3.591 1.00 0.00 O ATOM 294 CB ASN A 309 -5.487 6.496 -5.445 1.00 0.00 C ATOM 295 CG ASN A 309 -5.570 5.728 -6.750 1.00 0.00 C ATOM 296 OD1 ASN A 309 -5.181 6.230 -7.805 1.00 0.00 O ATOM 297 ND2 ASN A 309 -6.079 4.504 -6.685 1.00 0.00 N ATOM 0 H ASN A 309 -6.270 4.122 -3.490 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.497 4.747 -4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.464 6.920 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.797 7.332 -5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -6.160 3.940 -7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -6.389 4.128 -5.789 1.00 0.00 H new ATOM 304 N GLU A 310 -3.477 5.703 -2.407 1.00 0.00 N ATOM 305 CA GLU A 310 -2.521 6.322 -1.494 1.00 0.00 C ATOM 306 C GLU A 310 -1.167 5.629 -1.595 1.00 0.00 C ATOM 307 O GLU A 310 -1.056 4.549 -2.172 1.00 0.00 O ATOM 308 CB GLU A 310 -3.034 6.258 -0.056 1.00 0.00 C ATOM 309 CG GLU A 310 -2.333 7.222 0.890 1.00 0.00 C ATOM 310 CD GLU A 310 -2.280 8.638 0.350 1.00 0.00 C ATOM 311 OE1 GLU A 310 -1.391 8.924 -0.479 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.128 9.460 0.755 1.00 0.00 O ATOM 0 H GLU A 310 -3.654 4.715 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.405 7.368 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -4.103 6.472 -0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.911 5.242 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.850 7.223 1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.318 6.870 1.075 1.00 0.00 H new ATOM 319 N MET A 311 -0.140 6.257 -1.035 1.00 0.00 N ATOM 320 CA MET A 311 1.207 5.698 -1.072 1.00 0.00 C ATOM 321 C MET A 311 1.536 4.944 0.213 1.00 0.00 C ATOM 322 O MET A 311 1.854 5.552 1.236 1.00 0.00 O ATOM 323 CB MET A 311 2.235 6.808 -1.297 1.00 0.00 C ATOM 324 CG MET A 311 2.236 7.361 -2.714 1.00 0.00 C ATOM 325 SD MET A 311 2.569 6.095 -3.955 1.00 0.00 S ATOM 326 CE MET A 311 4.265 5.675 -3.566 1.00 0.00 C ATOM 0 H MET A 311 -0.213 7.152 -0.551 1.00 0.00 H new ATOM 0 HA MET A 311 1.248 4.991 -1.901 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.037 7.621 -0.599 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.228 6.424 -1.065 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.270 7.821 -2.921 1.00 0.00 H new ATOM 0 HG3 MET A 311 2.987 8.147 -2.792 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.513 4.712 -4.012 1.00 0.00 H new ATOM 0 HE2 MET A 311 4.930 6.441 -3.965 1.00 0.00 H new ATOM 0 HE3 MET A 311 4.386 5.616 -2.484 1.00 0.00 H new ATOM 336 N ASN A 312 1.465 3.617 0.152 1.00 0.00 N ATOM 337 CA ASN A 312 1.763 2.783 1.312 1.00 0.00 C ATOM 338 C ASN A 312 3.021 1.947 1.077 1.00 0.00 C ATOM 339 O ASN A 312 3.285 1.511 -0.042 1.00 0.00 O ATOM 340 CB ASN A 312 0.586 1.860 1.622 1.00 0.00 C ATOM 341 CG ASN A 312 -0.366 2.464 2.631 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.226 2.258 3.836 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.341 3.215 2.140 1.00 0.00 N ATOM 0 H ASN A 312 1.204 3.097 -0.686 1.00 0.00 H new ATOM 0 HA ASN A 312 1.936 3.444 2.162 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.046 1.642 0.701 1.00 0.00 H new ATOM 0 HB3 ASN A 312 0.962 0.911 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -2.015 3.651 2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -1.417 3.358 1.133 1.00 0.00 H new ATOM 350 N PRO A 313 3.812 1.709 2.138 1.00 0.00 N ATOM 351 CA PRO A 313 5.041 0.917 2.042 1.00 0.00 C ATOM 352 C PRO A 313 4.761 -0.548 1.717 1.00 0.00 C ATOM 353 O PRO A 313 3.639 -1.026 1.884 1.00 0.00 O ATOM 354 CB PRO A 313 5.665 1.044 3.435 1.00 0.00 C ATOM 355 CG PRO A 313 4.524 1.371 4.335 1.00 0.00 C ATOM 356 CD PRO A 313 3.570 2.188 3.512 1.00 0.00 C ATOM 0 HA PRO A 313 5.688 1.271 1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.153 0.117 3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.424 1.826 3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.044 0.464 4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 313 4.863 1.929 5.208 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.536 2.028 3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.769 3.255 3.607 1.00 0.00 H new ATOM 364 N PRO A 314 5.783 -1.282 1.246 1.00 0.00 N ATOM 365 CA PRO A 314 5.645 -2.699 0.897 1.00 0.00 C ATOM 366 C PRO A 314 5.095 -3.526 2.054 1.00 0.00 C ATOM 367 O PRO A 314 4.398 -4.519 1.845 1.00 0.00 O ATOM 368 CB PRO A 314 7.077 -3.138 0.554 1.00 0.00 C ATOM 369 CG PRO A 314 7.962 -2.056 1.077 1.00 0.00 C ATOM 370 CD PRO A 314 7.151 -0.794 1.018 1.00 0.00 C ATOM 0 HA PRO A 314 4.941 -2.846 0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.315 -4.097 1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.202 -3.262 -0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.278 -2.270 2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 314 8.867 -1.967 0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.459 -0.078 1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.248 -0.294 0.054 1.00 0.00 H new ATOM 378 N LEU A 315 5.412 -3.108 3.275 1.00 0.00 N ATOM 379 CA LEU A 315 4.948 -3.807 4.468 1.00 0.00 C ATOM 380 C LEU A 315 4.530 -2.809 5.549 1.00 0.00 C ATOM 381 O LEU A 315 5.296 -1.909 5.893 1.00 0.00 O ATOM 382 CB LEU A 315 6.049 -4.728 5.000 1.00 0.00 C ATOM 383 CG LEU A 315 5.823 -6.220 4.742 1.00 0.00 C ATOM 384 CD1 LEU A 315 7.122 -6.895 4.327 1.00 0.00 C ATOM 385 CD2 LEU A 315 5.242 -6.893 5.976 1.00 0.00 C ATOM 0 H LEU A 315 5.989 -2.288 3.464 1.00 0.00 H new ATOM 0 HA LEU A 315 4.080 -4.409 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 315 6.997 -4.436 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 315 6.146 -4.571 6.074 1.00 0.00 H new ATOM 0 HG LEU A 315 5.108 -6.322 3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 315 6.940 -7.955 4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 315 7.497 -6.432 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 315 7.860 -6.782 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 315 5.088 -7.953 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 315 5.933 -6.779 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 315 4.288 -6.430 6.228 1.00 0.00 H new ATOM 397 N PRO A 316 3.307 -2.942 6.103 1.00 0.00 N ATOM 398 CA PRO A 316 2.347 -3.993 5.736 1.00 0.00 C ATOM 399 C PRO A 316 1.779 -3.799 4.334 1.00 0.00 C ATOM 400 O PRO A 316 1.847 -2.705 3.771 1.00 0.00 O ATOM 401 CB PRO A 316 1.230 -3.859 6.784 1.00 0.00 C ATOM 402 CG PRO A 316 1.777 -2.958 7.840 1.00 0.00 C ATOM 403 CD PRO A 316 2.765 -2.067 7.148 1.00 0.00 C ATOM 0 HA PRO A 316 2.818 -4.976 5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.326 -3.441 6.342 1.00 0.00 H new ATOM 0 HB3 PRO A 316 0.962 -4.831 7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 316 0.983 -2.374 8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.257 -3.532 8.633 1.00 0.00 H new ATOM 0 HD2 PRO A 316 2.288 -1.182 6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 316 3.542 -1.718 7.828 1.00 0.00 H new ATOM 411 N SER A 317 1.221 -4.868 3.772 1.00 0.00 N ATOM 412 CA SER A 317 0.644 -4.819 2.433 1.00 0.00 C ATOM 413 C SER A 317 -0.822 -4.387 2.478 1.00 0.00 C ATOM 414 O SER A 317 -1.683 -5.016 1.862 1.00 0.00 O ATOM 415 CB SER A 317 0.764 -6.185 1.756 1.00 0.00 C ATOM 416 OG SER A 317 2.088 -6.681 1.838 1.00 0.00 O ATOM 0 H SER A 317 1.156 -5.780 4.225 1.00 0.00 H new ATOM 0 HA SER A 317 1.200 -4.081 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 317 0.079 -6.889 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 317 0.467 -6.103 0.710 1.00 0.00 H new ATOM 0 HG SER A 317 2.719 -5.931 1.831 1.00 0.00 H new ATOM 422 N HIS A 318 -1.099 -3.309 3.204 1.00 0.00 N ATOM 423 CA HIS A 318 -2.458 -2.793 3.319 1.00 0.00 C ATOM 424 C HIS A 318 -2.444 -1.303 3.645 1.00 0.00 C ATOM 425 O HIS A 318 -1.634 -0.842 4.450 1.00 0.00 O ATOM 426 CB HIS A 318 -3.235 -3.559 4.392 1.00 0.00 C ATOM 427 CG HIS A 318 -2.625 -3.472 5.757 1.00 0.00 C ATOM 428 ND1 HIS A 318 -2.096 -4.561 6.417 1.00 0.00 N ATOM 429 CD2 HIS A 318 -2.466 -2.416 6.590 1.00 0.00 C ATOM 430 CE1 HIS A 318 -1.640 -4.180 7.597 1.00 0.00 C ATOM 431 NE2 HIS A 318 -1.852 -2.883 7.725 1.00 0.00 N ATOM 0 H HIS A 318 -0.400 -2.776 3.722 1.00 0.00 H new ATOM 0 HA HIS A 318 -2.955 -2.934 2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -4.254 -3.174 4.434 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -3.302 -4.607 4.100 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -2.766 -1.397 6.397 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -1.174 -4.820 8.331 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -1.600 -2.319 8.537 1.00 0.00 H new ATOM 440 N CYS A 319 -3.340 -0.555 3.010 1.00 0.00 N ATOM 441 CA CYS A 319 -3.426 0.885 3.227 1.00 0.00 C ATOM 442 C CYS A 319 -3.607 1.215 4.705 1.00 0.00 C ATOM 443 O CYS A 319 -4.581 0.803 5.329 1.00 0.00 O ATOM 444 CB CYS A 319 -4.581 1.479 2.420 1.00 0.00 C ATOM 445 SG CYS A 319 -4.501 3.275 2.239 1.00 0.00 S ATOM 0 H CYS A 319 -4.017 -0.922 2.341 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.487 1.325 2.890 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.591 1.024 1.430 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.522 1.214 2.902 1.00 0.00 H new ATOM 450 N ASN A 320 -2.662 1.966 5.258 1.00 0.00 N ATOM 451 CA ASN A 320 -2.722 2.354 6.663 1.00 0.00 C ATOM 452 C ASN A 320 -3.815 3.395 6.907 1.00 0.00 C ATOM 453 O ASN A 320 -4.107 3.738 8.052 1.00 0.00 O ATOM 454 CB ASN A 320 -1.368 2.907 7.115 1.00 0.00 C ATOM 455 CG ASN A 320 -0.477 1.836 7.711 1.00 0.00 C ATOM 456 OD1 ASN A 320 -0.248 1.805 8.921 1.00 0.00 O ATOM 457 ND2 ASN A 320 0.034 0.951 6.864 1.00 0.00 N ATOM 0 H ASN A 320 -1.846 2.318 4.757 1.00 0.00 H new ATOM 0 HA ASN A 320 -2.963 1.465 7.245 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -0.863 3.364 6.264 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.528 3.694 7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 320 0.643 0.208 7.208 1.00 0.00 H new ATOM 0 HD22 ASN A 320 -0.182 1.014 5.869 1.00 0.00 H new ATOM 464 N ARG A 321 -4.415 3.898 5.830 1.00 0.00 N ATOM 465 CA ARG A 321 -5.468 4.901 5.944 1.00 0.00 C ATOM 466 C ARG A 321 -6.854 4.274 5.808 1.00 0.00 C ATOM 467 O ARG A 321 -7.635 4.263 6.758 1.00 0.00 O ATOM 468 CB ARG A 321 -5.281 5.984 4.880 1.00 0.00 C ATOM 469 CG ARG A 321 -5.942 7.306 5.235 1.00 0.00 C ATOM 470 CD ARG A 321 -6.502 7.998 4.003 1.00 0.00 C ATOM 471 NE ARG A 321 -7.791 7.438 3.600 1.00 0.00 N ATOM 472 CZ ARG A 321 -8.643 8.052 2.783 1.00 0.00 C ATOM 473 NH1 ARG A 321 -8.348 9.243 2.278 1.00 0.00 N ATOM 474 NH2 ARG A 321 -9.794 7.474 2.468 1.00 0.00 N ATOM 0 H ARG A 321 -4.190 3.628 4.873 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.395 5.349 6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -4.215 6.150 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -5.688 5.626 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -6.744 7.132 5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -5.216 7.958 5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -6.617 9.063 4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -5.793 7.905 3.181 1.00 0.00 H new ATOM 0 HE ARG A 321 -8.053 6.523 3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -7.464 9.693 2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -9.005 9.709 1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -10.027 6.558 2.852 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -10.447 7.945 1.842 1.00 0.00 H new ATOM 488 N CYS A 322 -7.158 3.765 4.617 1.00 0.00 N ATOM 489 CA CYS A 322 -8.457 3.150 4.359 1.00 0.00 C ATOM 490 C CYS A 322 -8.462 1.660 4.710 1.00 0.00 C ATOM 491 O CYS A 322 -9.522 1.036 4.764 1.00 0.00 O ATOM 492 CB CYS A 322 -8.860 3.357 2.891 1.00 0.00 C ATOM 493 SG CYS A 322 -8.173 2.145 1.733 1.00 0.00 S ATOM 0 H CYS A 322 -6.525 3.766 3.817 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.188 3.639 5.003 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -9.947 3.329 2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -8.546 4.353 2.580 1.00 0.00 H new ATOM 498 N TRP A 323 -7.280 1.092 4.945 1.00 0.00 N ATOM 499 CA TRP A 323 -7.172 -0.324 5.283 1.00 0.00 C ATOM 500 C TRP A 323 -7.573 -1.195 4.097 1.00 0.00 C ATOM 501 O TRP A 323 -8.612 -1.855 4.116 1.00 0.00 O ATOM 502 CB TRP A 323 -8.044 -0.651 6.501 1.00 0.00 C ATOM 503 CG TRP A 323 -7.324 -1.441 7.551 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.828 -0.972 8.734 1.00 0.00 C ATOM 505 CD2 TRP A 323 -7.018 -2.840 7.514 1.00 0.00 C ATOM 506 NE1 TRP A 323 -6.233 -1.994 9.434 1.00 0.00 N ATOM 507 CE2 TRP A 323 -6.337 -3.150 8.707 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.254 -3.861 6.589 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.890 -4.438 8.996 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -6.810 -5.138 6.877 1.00 0.00 C ATOM 511 CH2 TRP A 323 -6.136 -5.416 8.072 1.00 0.00 C ATOM 0 H TRP A 323 -6.390 1.588 4.908 1.00 0.00 H new ATOM 0 HA TRP A 323 -6.132 -0.537 5.530 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.406 0.279 6.940 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.920 -1.210 6.172 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.894 0.052 9.070 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.786 -1.906 10.347 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -7.774 -3.656 5.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -5.368 -4.656 9.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -6.986 -5.934 6.169 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -5.803 -6.424 8.269 1.00 0.00 H new ATOM 522 N ALA A 324 -6.740 -1.191 3.059 1.00 0.00 N ATOM 523 CA ALA A 324 -7.010 -1.980 1.862 1.00 0.00 C ATOM 524 C ALA A 324 -5.839 -2.898 1.532 1.00 0.00 C ATOM 525 O ALA A 324 -4.761 -2.437 1.157 1.00 0.00 O ATOM 526 CB ALA A 324 -7.314 -1.063 0.686 1.00 0.00 C ATOM 0 H ALA A 324 -5.875 -0.652 3.023 1.00 0.00 H new ATOM 0 HA ALA A 324 -7.881 -2.605 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.514 -1.663 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.188 -0.454 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.458 -0.414 0.500 1.00 0.00 H new ATOM 532 N LEU A 325 -6.059 -4.201 1.671 1.00 0.00 N ATOM 533 CA LEU A 325 -5.023 -5.187 1.387 1.00 0.00 C ATOM 534 C LEU A 325 -4.625 -5.150 -0.086 1.00 0.00 C ATOM 535 O LEU A 325 -5.472 -4.986 -0.964 1.00 0.00 O ATOM 536 CB LEU A 325 -5.503 -6.584 1.770 1.00 0.00 C ATOM 537 CG LEU A 325 -4.778 -7.197 2.967 1.00 0.00 C ATOM 538 CD1 LEU A 325 -3.274 -7.182 2.748 1.00 0.00 C ATOM 539 CD2 LEU A 325 -5.140 -6.455 4.245 1.00 0.00 C ATOM 0 H LEU A 325 -6.946 -4.599 1.979 1.00 0.00 H new ATOM 0 HA LEU A 325 -4.145 -4.940 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.570 -6.540 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -5.382 -7.244 0.911 1.00 0.00 H new ATOM 0 HG LEU A 325 -5.098 -8.234 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -2.776 -7.623 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -3.031 -7.758 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -2.935 -6.154 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -4.615 -6.905 5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -4.849 -5.408 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -6.215 -6.520 4.411 1.00 0.00 H new ATOM 551 N ARG A 326 -3.332 -5.303 -0.348 1.00 0.00 N ATOM 552 CA ARG A 326 -2.819 -5.286 -1.714 1.00 0.00 C ATOM 553 C ARG A 326 -3.460 -6.391 -2.551 1.00 0.00 C ATOM 554 O ARG A 326 -3.831 -7.442 -2.030 1.00 0.00 O ATOM 555 CB ARG A 326 -1.296 -5.446 -1.711 1.00 0.00 C ATOM 556 CG ARG A 326 -0.554 -4.215 -2.204 1.00 0.00 C ATOM 557 CD ARG A 326 0.888 -4.204 -1.724 1.00 0.00 C ATOM 558 NE ARG A 326 1.712 -5.170 -2.446 1.00 0.00 N ATOM 559 CZ ARG A 326 3.041 -5.218 -2.365 1.00 0.00 C ATOM 560 NH1 ARG A 326 3.697 -4.359 -1.595 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.715 -6.129 -3.054 1.00 0.00 N ATOM 0 H ARG A 326 -2.619 -5.440 0.368 1.00 0.00 H new ATOM 0 HA ARG A 326 -3.075 -4.325 -2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -0.965 -5.678 -0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -1.027 -6.297 -2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -0.576 -4.188 -3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -1.062 -3.317 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 326 1.305 -3.205 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.917 -4.428 -0.658 1.00 0.00 H new ATOM 0 HE ARG A 326 1.243 -5.847 -3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 326 3.184 -3.657 -1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 326 4.714 -4.400 -1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 326 3.216 -6.793 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.732 -6.166 -2.992 1.00 0.00 H new ATOM 575 N GLU A 327 -3.585 -6.143 -3.851 1.00 0.00 N ATOM 576 CA GLU A 327 -4.177 -7.117 -4.761 1.00 0.00 C ATOM 577 C GLU A 327 -3.309 -8.367 -4.858 1.00 0.00 C ATOM 578 O GLU A 327 -3.814 -9.471 -5.055 1.00 0.00 O ATOM 579 CB GLU A 327 -4.363 -6.502 -6.149 1.00 0.00 C ATOM 580 CG GLU A 327 -5.222 -7.345 -7.079 1.00 0.00 C ATOM 581 CD GLU A 327 -6.603 -6.756 -7.293 1.00 0.00 C ATOM 582 OE1 GLU A 327 -7.342 -6.601 -6.298 1.00 0.00 O ATOM 583 OE2 GLU A 327 -6.944 -6.451 -8.455 1.00 0.00 O ATOM 0 H GLU A 327 -3.284 -5.277 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 327 -5.151 -7.403 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -4.817 -5.517 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -3.384 -6.355 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -4.720 -7.443 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -5.320 -8.349 -6.667 1.00 0.00 H new ATOM 590 N ASN A 328 -2.001 -8.183 -4.716 1.00 0.00 N ATOM 591 CA ASN A 328 -1.059 -9.294 -4.785 1.00 0.00 C ATOM 592 C ASN A 328 0.174 -9.014 -3.931 1.00 0.00 C ATOM 593 O ASN A 328 1.069 -8.275 -4.340 1.00 0.00 O ATOM 594 CB ASN A 328 -0.644 -9.548 -6.236 1.00 0.00 C ATOM 595 CG ASN A 328 -0.559 -11.026 -6.563 1.00 0.00 C ATOM 596 OD1 ASN A 328 -1.293 -11.529 -7.414 1.00 0.00 O ATOM 597 ND2 ASN A 328 0.340 -11.730 -5.886 1.00 0.00 N ATOM 0 H ASN A 328 -1.569 -7.274 -4.552 1.00 0.00 H new ATOM 0 HA ASN A 328 -1.554 -10.184 -4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -1.361 -9.071 -6.905 1.00 0.00 H new ATOM 0 HB3 ASN A 328 0.324 -9.082 -6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 328 0.443 -12.729 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 328 0.927 -11.272 -5.189 1.00 0.00 H new ATOM 604 N TRP A 329 0.212 -9.607 -2.742 1.00 0.00 N ATOM 605 CA TRP A 329 1.335 -9.419 -1.829 1.00 0.00 C ATOM 606 C TRP A 329 1.966 -10.756 -1.460 1.00 0.00 C ATOM 607 O TRP A 329 3.188 -10.897 -1.448 1.00 0.00 O ATOM 608 CB TRP A 329 0.888 -8.686 -0.560 1.00 0.00 C ATOM 609 CG TRP A 329 -0.530 -8.969 -0.172 1.00 0.00 C ATOM 610 CD1 TRP A 329 -1.650 -8.637 -0.876 1.00 0.00 C ATOM 611 CD2 TRP A 329 -0.982 -9.639 1.010 1.00 0.00 C ATOM 612 NE1 TRP A 329 -2.770 -9.061 -0.208 1.00 0.00 N ATOM 613 CE2 TRP A 329 -2.387 -9.679 0.955 1.00 0.00 C ATOM 614 CE3 TRP A 329 -0.335 -10.209 2.110 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -3.157 -10.267 1.956 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -1.100 -10.792 3.104 1.00 0.00 C ATOM 617 CH2 TRP A 329 -2.498 -10.817 3.020 1.00 0.00 C ATOM 0 H TRP A 329 -0.521 -10.221 -2.388 1.00 0.00 H new ATOM 0 HA TRP A 329 2.080 -8.811 -2.341 1.00 0.00 H new ATOM 0 HB2 TRP A 329 1.544 -8.969 0.263 1.00 0.00 H new ATOM 0 HB3 TRP A 329 1.008 -7.613 -0.709 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -1.654 -8.116 -1.822 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -3.732 -8.937 -0.525 1.00 0.00 H new ATOM 0 HE3 TRP A 329 0.742 -10.194 2.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -4.235 -10.288 1.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -0.611 -11.235 3.959 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -3.067 -11.280 3.812 1.00 0.00 H new ATOM 628 N LEU A 330 1.120 -11.732 -1.158 1.00 0.00 N ATOM 629 CA LEU A 330 1.587 -13.062 -0.785 1.00 0.00 C ATOM 630 C LEU A 330 2.343 -13.717 -1.941 1.00 0.00 C ATOM 631 O LEU A 330 1.891 -13.683 -3.085 1.00 0.00 O ATOM 632 CB LEU A 330 0.406 -13.941 -0.371 1.00 0.00 C ATOM 633 CG LEU A 330 -0.602 -13.270 0.568 1.00 0.00 C ATOM 634 CD1 LEU A 330 -2.020 -13.441 0.044 1.00 0.00 C ATOM 635 CD2 LEU A 330 -0.481 -13.837 1.975 1.00 0.00 C ATOM 0 H LEU A 330 0.105 -11.628 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 330 2.268 -12.958 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 330 -0.118 -14.266 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 330 0.792 -14.837 0.115 1.00 0.00 H new ATOM 0 HG LEU A 330 -0.377 -12.204 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -2.720 -12.958 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -2.101 -12.986 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -2.256 -14.503 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 330 -1.205 -13.348 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 330 -0.678 -14.909 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 330 0.526 -13.660 2.353 1.00 0.00 H new ATOM 647 N PRO A 331 3.509 -14.328 -1.658 1.00 0.00 N ATOM 648 CA PRO A 331 4.319 -14.990 -2.683 1.00 0.00 C ATOM 649 C PRO A 331 3.703 -16.306 -3.147 1.00 0.00 C ATOM 650 O PRO A 331 3.685 -16.609 -4.340 1.00 0.00 O ATOM 651 CB PRO A 331 5.648 -15.243 -1.973 1.00 0.00 C ATOM 652 CG PRO A 331 5.288 -15.353 -0.532 1.00 0.00 C ATOM 653 CD PRO A 331 4.127 -14.420 -0.320 1.00 0.00 C ATOM 0 HA PRO A 331 4.410 -14.385 -3.585 1.00 0.00 H new ATOM 0 HB2 PRO A 331 6.123 -16.155 -2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.351 -14.428 -2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 331 5.017 -16.377 -0.275 1.00 0.00 H new ATOM 0 HG3 PRO A 331 6.130 -15.077 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 331 3.428 -14.811 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 331 4.456 -13.444 0.038 1.00 0.00 H new ATOM 661 N GLU A 332 3.199 -17.084 -2.195 1.00 0.00 N ATOM 662 CA GLU A 332 2.581 -18.368 -2.505 1.00 0.00 C ATOM 663 C GLU A 332 1.065 -18.230 -2.615 1.00 0.00 C ATOM 664 O GLU A 332 0.412 -17.704 -1.714 1.00 0.00 O ATOM 665 CB GLU A 332 2.934 -19.399 -1.432 1.00 0.00 C ATOM 666 CG GLU A 332 4.428 -19.608 -1.258 1.00 0.00 C ATOM 667 CD GLU A 332 4.933 -20.844 -1.978 1.00 0.00 C ATOM 668 OE1 GLU A 332 4.718 -20.945 -3.204 1.00 0.00 O ATOM 669 OE2 GLU A 332 5.541 -21.710 -1.316 1.00 0.00 O ATOM 0 H GLU A 332 3.206 -16.848 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 332 2.968 -18.707 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 332 2.507 -19.082 -0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 332 2.470 -20.351 -1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 332 4.959 -18.732 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 332 4.658 -19.692 -0.196 1.00 0.00 H new ATOM 676 N ASP A 333 0.512 -18.707 -3.726 1.00 0.00 N ATOM 677 CA ASP A 333 -0.926 -18.636 -3.954 1.00 0.00 C ATOM 678 C ASP A 333 -1.673 -19.572 -3.009 1.00 0.00 C ATOM 679 O ASP A 333 -1.069 -20.215 -2.151 1.00 0.00 O ATOM 680 CB ASP A 333 -1.252 -18.992 -5.405 1.00 0.00 C ATOM 681 CG ASP A 333 -0.747 -20.368 -5.791 1.00 0.00 C ATOM 682 OD1 ASP A 333 0.474 -20.606 -5.677 1.00 0.00 O ATOM 683 OD2 ASP A 333 -1.572 -21.209 -6.206 1.00 0.00 O ATOM 0 H ASP A 333 1.038 -19.146 -4.481 1.00 0.00 H new ATOM 0 HA ASP A 333 -1.250 -17.614 -3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 333 -2.331 -18.950 -5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 333 -0.810 -18.247 -6.067 1.00 0.00 H new ATOM 688 N LYS A 334 -2.990 -19.644 -3.173 1.00 0.00 N ATOM 689 CA LYS A 334 -3.819 -20.501 -2.335 1.00 0.00 C ATOM 690 C LYS A 334 -3.754 -21.951 -2.807 1.00 0.00 C ATOM 691 O LYS A 334 -3.386 -22.845 -2.046 1.00 0.00 O ATOM 692 CB LYS A 334 -5.270 -20.008 -2.344 1.00 0.00 C ATOM 693 CG LYS A 334 -5.789 -19.621 -0.969 1.00 0.00 C ATOM 694 CD LYS A 334 -6.734 -20.674 -0.411 1.00 0.00 C ATOM 695 CE LYS A 334 -7.661 -20.088 0.641 1.00 0.00 C ATOM 696 NZ LYS A 334 -8.427 -21.144 1.358 1.00 0.00 N ATOM 0 H LYS A 334 -3.506 -19.119 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 334 -3.435 -20.455 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -5.349 -19.147 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -5.908 -20.789 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -4.949 -19.487 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -6.306 -18.663 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -7.325 -21.100 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -6.156 -21.489 0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -7.077 -19.513 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -8.356 -19.395 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -9.047 -20.702 2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -9.004 -21.677 0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -7.765 -21.791 1.832 1.00 0.00 H new ATOM 710 N GLY A 335 -4.115 -22.173 -4.067 1.00 0.00 N ATOM 711 CA GLY A 335 -4.089 -23.515 -4.618 1.00 0.00 C ATOM 712 C GLY A 335 -3.846 -23.524 -6.115 1.00 0.00 C ATOM 713 O GLY A 335 -2.953 -24.272 -6.566 1.00 0.00 O ATOM 714 OXT GLY A 335 -4.548 -22.784 -6.835 1.00 0.00 O ATOM 0 H GLY A 335 -4.425 -21.449 -4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -3.308 -24.092 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -5.036 -24.011 -4.404 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.247 3.069 0.759 1.00 0.00 ZN