USER MOD reduce.3.24.130724 H: found=0, std=0, add=216, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 217 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.79) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS : no HD1:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ 160:sc= -1.83! (180deg=-2.64!) USER MOD Single : A 316 SER OG : rot 140:sc= -4.94! USER MOD Single : A 317 LYS NZ :NH3+ -164:sc= -0.311 (180deg=-1.02!) USER MOD Single : A 319 THR OG1 : rot 120:sc= -4.17! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 292 -24.543 12.298 -11.730 1.00 0.00 N ATOM 2 CA GLY A 292 -25.057 13.485 -11.058 1.00 0.00 C ATOM 3 C GLY A 292 -26.039 13.105 -9.956 1.00 0.00 C ATOM 4 O GLY A 292 -25.887 13.521 -8.806 1.00 0.00 O ATOM 0 HA2 GLY A 292 -24.230 14.054 -10.633 1.00 0.00 H new ATOM 0 HA3 GLY A 292 -25.550 14.133 -11.783 1.00 0.00 H new ATOM 8 N SER A 293 -27.048 12.315 -10.312 1.00 0.00 N ATOM 9 CA SER A 293 -28.048 11.888 -9.340 1.00 0.00 C ATOM 10 C SER A 293 -27.398 11.068 -8.230 1.00 0.00 C ATOM 11 O SER A 293 -27.881 11.045 -7.098 1.00 0.00 O ATOM 12 CB SER A 293 -29.127 11.054 -10.032 1.00 0.00 C ATOM 13 OG SER A 293 -28.562 9.823 -10.467 1.00 0.00 O ATOM 0 H SER A 293 -27.194 11.961 -11.257 1.00 0.00 H new ATOM 0 HA SER A 293 -28.504 12.775 -8.901 1.00 0.00 H new ATOM 0 HB2 SER A 293 -29.953 10.866 -9.346 1.00 0.00 H new ATOM 0 HB3 SER A 293 -29.536 11.600 -10.882 1.00 0.00 H new ATOM 0 HG SER A 293 -29.251 9.285 -10.910 1.00 0.00 H new ATOM 19 N LYS A 294 -26.290 10.408 -8.558 1.00 0.00 N ATOM 20 CA LYS A 294 -25.568 9.612 -7.588 1.00 0.00 C ATOM 21 C LYS A 294 -24.474 10.467 -6.978 1.00 0.00 C ATOM 22 O LYS A 294 -24.012 11.421 -7.603 1.00 0.00 O ATOM 23 CB LYS A 294 -24.988 8.368 -8.261 1.00 0.00 C ATOM 24 CG LYS A 294 -26.148 7.501 -8.760 1.00 0.00 C ATOM 25 CD LYS A 294 -25.614 6.185 -9.338 1.00 0.00 C ATOM 26 CE LYS A 294 -26.769 5.373 -9.949 1.00 0.00 C ATOM 27 NZ LYS A 294 -26.718 3.975 -9.437 1.00 0.00 N ATOM 0 H LYS A 294 -25.878 10.413 -9.491 1.00 0.00 H new ATOM 0 HA LYS A 294 -26.240 9.277 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -24.343 8.653 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -24.372 7.808 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -26.836 7.294 -7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -26.712 8.039 -9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -24.861 6.391 -10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -25.125 5.606 -8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -27.725 5.831 -9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -26.695 5.376 -11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -27.499 3.425 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -25.811 3.541 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -26.809 3.981 -8.401 1.00 0.00 H new ATOM 41 N ASP A 295 -24.071 10.158 -5.757 1.00 0.00 N ATOM 42 CA ASP A 295 -23.047 10.961 -5.113 1.00 0.00 C ATOM 43 C ASP A 295 -21.663 10.495 -5.542 1.00 0.00 C ATOM 44 O ASP A 295 -20.652 10.993 -5.046 1.00 0.00 O ATOM 45 CB ASP A 295 -23.190 10.904 -3.590 1.00 0.00 C ATOM 46 CG ASP A 295 -22.908 9.499 -3.098 1.00 0.00 C ATOM 47 OD1 ASP A 295 -22.382 8.730 -3.873 1.00 0.00 O ATOM 48 OD2 ASP A 295 -23.221 9.214 -1.953 1.00 0.00 O ATOM 0 H ASP A 295 -24.426 9.378 -5.204 1.00 0.00 H new ATOM 0 HA ASP A 295 -23.175 11.998 -5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 295 -22.499 11.607 -3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 295 -24.196 11.206 -3.299 1.00 0.00 H new ATOM 53 N ASN A 296 -21.616 9.580 -6.518 1.00 0.00 N ATOM 54 CA ASN A 296 -20.328 9.138 -7.035 1.00 0.00 C ATOM 55 C ASN A 296 -19.434 8.532 -5.944 1.00 0.00 C ATOM 56 O ASN A 296 -18.338 9.041 -5.707 1.00 0.00 O ATOM 57 CB ASN A 296 -19.601 10.310 -7.693 1.00 0.00 C ATOM 58 CG ASN A 296 -18.366 9.805 -8.432 1.00 0.00 C ATOM 59 OD1 ASN A 296 -17.242 9.993 -7.966 1.00 0.00 O ATOM 60 ND2 ASN A 296 -18.509 9.168 -9.563 1.00 0.00 N ATOM 0 H ASN A 296 -22.431 9.146 -6.951 1.00 0.00 H new ATOM 0 HA ASN A 296 -20.529 8.357 -7.769 1.00 0.00 H new ATOM 0 HB2 ASN A 296 -20.268 10.819 -8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 296 -19.310 11.040 -6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 296 -17.688 8.825 -10.062 1.00 0.00 H new ATOM 0 HD22 ASN A 296 -19.441 9.013 -9.947 1.00 0.00 H new ATOM 67 N ILE A 297 -19.903 7.508 -5.221 1.00 0.00 N ATOM 68 CA ILE A 297 -19.095 6.976 -4.115 1.00 0.00 C ATOM 69 C ILE A 297 -17.767 6.424 -4.627 1.00 0.00 C ATOM 70 O ILE A 297 -17.694 5.710 -5.628 1.00 0.00 O ATOM 71 CB ILE A 297 -19.827 5.826 -3.410 1.00 0.00 C ATOM 72 CG1 ILE A 297 -21.177 6.302 -2.880 1.00 0.00 C ATOM 73 CG2 ILE A 297 -18.974 5.327 -2.243 1.00 0.00 C ATOM 74 CD1 ILE A 297 -21.933 5.123 -2.264 1.00 0.00 C ATOM 0 H ILE A 297 -20.800 7.046 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 297 -18.922 7.800 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 297 -19.992 5.020 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -21.031 7.083 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -21.762 6.740 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -19.490 4.510 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -18.014 4.973 -2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -18.809 6.142 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -22.896 5.466 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -22.092 4.357 -3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -21.350 4.705 -1.443 1.00 0.00 H new ATOM 86 N LYS A 298 -16.717 6.825 -3.910 1.00 0.00 N ATOM 87 CA LYS A 298 -15.333 6.467 -4.220 1.00 0.00 C ATOM 88 C LYS A 298 -14.908 5.096 -3.696 1.00 0.00 C ATOM 89 O LYS A 298 -15.175 4.739 -2.549 1.00 0.00 O ATOM 90 CB LYS A 298 -14.408 7.519 -3.611 1.00 0.00 C ATOM 91 CG LYS A 298 -12.972 7.286 -4.082 1.00 0.00 C ATOM 92 CD LYS A 298 -12.048 8.305 -3.406 1.00 0.00 C ATOM 93 CE LYS A 298 -10.621 8.193 -3.970 1.00 0.00 C ATOM 94 NZ LYS A 298 -10.219 9.504 -4.551 1.00 0.00 N ATOM 0 H LYS A 298 -16.806 7.417 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 298 -15.262 6.426 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -14.737 8.517 -3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -14.455 7.471 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -12.656 6.272 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -12.911 7.385 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -12.430 9.313 -3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -12.035 8.135 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -9.927 7.903 -3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -10.579 7.415 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -9.255 9.433 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -10.876 9.762 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -10.245 10.234 -3.811 1.00 0.00 H new ATOM 108 N HIS A 299 -14.179 4.369 -4.540 1.00 0.00 N ATOM 109 CA HIS A 299 -13.626 3.069 -4.172 1.00 0.00 C ATOM 110 C HIS A 299 -12.106 3.187 -4.291 1.00 0.00 C ATOM 111 O HIS A 299 -11.610 3.738 -5.273 1.00 0.00 O ATOM 112 CB HIS A 299 -14.152 1.976 -5.106 1.00 0.00 C ATOM 113 CG HIS A 299 -13.638 0.637 -4.654 1.00 0.00 C ATOM 114 ND1 HIS A 299 -12.486 0.069 -5.176 1.00 0.00 N ATOM 115 CD2 HIS A 299 -14.111 -0.260 -3.728 1.00 0.00 C ATOM 116 CE1 HIS A 299 -12.307 -1.118 -4.567 1.00 0.00 C ATOM 117 NE2 HIS A 299 -13.269 -1.366 -3.674 1.00 0.00 N ATOM 0 H HIS A 299 -13.957 4.662 -5.491 1.00 0.00 H new ATOM 0 HA HIS A 299 -13.919 2.795 -3.158 1.00 0.00 H new ATOM 0 HB2 HIS A 299 -15.242 1.977 -5.106 1.00 0.00 H new ATOM 0 HB3 HIS A 299 -13.833 2.173 -6.129 1.00 0.00 H new ATOM 0 HD2 HIS A 299 -15.002 -0.127 -3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 299 -11.486 -1.788 -4.775 1.00 0.00 H new ATOM 0 HE2 HIS A 299 -13.365 -2.190 -3.080 1.00 0.00 H new ATOM 126 N VAL A 300 -11.360 2.731 -3.279 1.00 0.00 N ATOM 127 CA VAL A 300 -9.896 2.878 -3.311 1.00 0.00 C ATOM 128 C VAL A 300 -9.137 1.559 -3.140 1.00 0.00 C ATOM 129 O VAL A 300 -8.619 1.281 -2.058 1.00 0.00 O ATOM 130 CB VAL A 300 -9.467 3.828 -2.192 1.00 0.00 C ATOM 131 CG1 VAL A 300 -9.789 5.268 -2.589 1.00 0.00 C ATOM 132 CG2 VAL A 300 -10.220 3.474 -0.908 1.00 0.00 C ATOM 0 H VAL A 300 -11.730 2.269 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 300 -9.646 3.266 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 300 -8.394 3.730 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -9.482 5.943 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -9.253 5.522 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -10.861 5.368 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -9.915 4.150 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -11.292 3.571 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -9.989 2.448 -0.622 1.00 0.00 H new ATOM 142 N PRO A 301 -9.026 0.761 -4.173 1.00 0.00 N ATOM 143 CA PRO A 301 -8.261 -0.511 -4.068 1.00 0.00 C ATOM 144 C PRO A 301 -6.808 -0.245 -3.655 1.00 0.00 C ATOM 145 O PRO A 301 -6.140 -1.105 -3.080 1.00 0.00 O ATOM 146 CB PRO A 301 -8.344 -1.119 -5.469 1.00 0.00 C ATOM 147 CG PRO A 301 -8.633 0.017 -6.406 1.00 0.00 C ATOM 148 CD PRO A 301 -9.154 1.198 -5.574 1.00 0.00 C ATOM 0 HA PRO A 301 -8.663 -1.180 -3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 301 -7.409 -1.613 -5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 301 -9.129 -1.874 -5.519 1.00 0.00 H new ATOM 0 HG2 PRO A 301 -7.732 0.302 -6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 301 -9.372 -0.281 -7.149 1.00 0.00 H new ATOM 0 HD2 PRO A 301 -8.572 2.100 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 301 -10.190 1.430 -5.822 1.00 0.00 H new ATOM 156 N GLY A 302 -6.342 0.967 -3.953 1.00 0.00 N ATOM 157 CA GLY A 302 -4.980 1.392 -3.621 1.00 0.00 C ATOM 158 C GLY A 302 -5.022 2.473 -2.546 1.00 0.00 C ATOM 159 O GLY A 302 -4.397 3.525 -2.681 1.00 0.00 O ATOM 0 H GLY A 302 -6.894 1.680 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -4.399 0.539 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -4.481 1.772 -4.512 1.00 0.00 H new ATOM 163 N GLY A 303 -5.790 2.217 -1.496 1.00 0.00 N ATOM 164 CA GLY A 303 -5.948 3.185 -0.407 1.00 0.00 C ATOM 165 C GLY A 303 -4.788 3.137 0.577 1.00 0.00 C ATOM 166 O GLY A 303 -4.832 3.769 1.633 1.00 0.00 O ATOM 0 H GLY A 303 -6.314 1.351 -1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 303 -6.027 4.189 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 303 -6.880 2.985 0.122 1.00 0.00 H new ATOM 170 N GLY A 304 -3.771 2.362 0.246 1.00 0.00 N ATOM 171 CA GLY A 304 -2.625 2.208 1.129 1.00 0.00 C ATOM 172 C GLY A 304 -2.851 0.972 1.977 1.00 0.00 C ATOM 173 O GLY A 304 -2.037 0.605 2.825 1.00 0.00 O ATOM 0 H GLY A 304 -3.713 1.831 -0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 304 -1.707 2.110 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -2.510 3.088 1.761 1.00 0.00 H new ATOM 177 N SER A 305 -3.972 0.326 1.694 1.00 0.00 N ATOM 178 CA SER A 305 -4.361 -0.897 2.368 1.00 0.00 C ATOM 179 C SER A 305 -3.641 -2.057 1.701 1.00 0.00 C ATOM 180 O SER A 305 -3.912 -3.226 1.980 1.00 0.00 O ATOM 181 CB SER A 305 -5.875 -1.092 2.284 1.00 0.00 C ATOM 182 OG SER A 305 -6.520 -0.057 3.016 1.00 0.00 O ATOM 0 H SER A 305 -4.638 0.639 0.987 1.00 0.00 H new ATOM 0 HA SER A 305 -4.088 -0.845 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 305 -6.199 -1.074 1.243 1.00 0.00 H new ATOM 0 HB3 SER A 305 -6.151 -2.066 2.687 1.00 0.00 H new ATOM 0 HG SER A 305 -7.491 -0.176 2.964 1.00 0.00 H new ATOM 188 N VAL A 306 -2.738 -1.705 0.789 1.00 0.00 N ATOM 189 CA VAL A 306 -1.979 -2.695 0.041 1.00 0.00 C ATOM 190 C VAL A 306 -1.029 -3.451 0.961 1.00 0.00 C ATOM 191 O VAL A 306 -0.607 -4.566 0.658 1.00 0.00 O ATOM 192 CB VAL A 306 -1.164 -2.018 -1.055 1.00 0.00 C ATOM 193 CG1 VAL A 306 -2.094 -1.213 -1.965 1.00 0.00 C ATOM 194 CG2 VAL A 306 -0.138 -1.076 -0.420 1.00 0.00 C ATOM 0 H VAL A 306 -2.516 -0.738 0.552 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.687 -3.394 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 306 -0.649 -2.778 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -1.509 -0.730 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -2.826 -1.881 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -2.610 -0.454 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 306 0.445 -0.592 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -0.655 -0.318 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 306 0.528 -1.646 0.228 1.00 0.00 H new ATOM 204 N GLN A 307 -0.700 -2.825 2.084 1.00 0.00 N ATOM 205 CA GLN A 307 0.196 -3.412 3.080 1.00 0.00 C ATOM 206 C GLN A 307 1.460 -4.031 2.471 1.00 0.00 C ATOM 207 O GLN A 307 1.410 -4.972 1.681 1.00 0.00 O ATOM 208 CB GLN A 307 -0.537 -4.421 3.987 1.00 0.00 C ATOM 209 CG GLN A 307 -1.031 -5.645 3.210 1.00 0.00 C ATOM 210 CD GLN A 307 -1.757 -6.587 4.163 1.00 0.00 C ATOM 211 OE1 GLN A 307 -2.936 -6.384 4.458 1.00 0.00 O ATOM 212 NE2 GLN A 307 -1.120 -7.604 4.672 1.00 0.00 N ATOM 0 H GLN A 307 -1.045 -1.898 2.332 1.00 0.00 H new ATOM 0 HA GLN A 307 0.530 -2.580 3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 307 0.133 -4.745 4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -1.385 -3.929 4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -1.700 -5.335 2.407 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -0.190 -6.158 2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -0.144 -7.770 4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 307 -1.598 -8.234 5.316 1.00 0.00 H new ATOM 221 N ILE A 308 2.584 -3.451 2.883 1.00 0.00 N ATOM 222 CA ILE A 308 3.938 -3.845 2.459 1.00 0.00 C ATOM 223 C ILE A 308 3.997 -4.531 1.095 1.00 0.00 C ATOM 224 O ILE A 308 3.420 -5.595 0.877 1.00 0.00 O ATOM 225 CB ILE A 308 4.524 -4.799 3.509 1.00 0.00 C ATOM 226 CG1 ILE A 308 6.043 -4.907 3.323 1.00 0.00 C ATOM 227 CG2 ILE A 308 3.904 -6.192 3.348 1.00 0.00 C ATOM 228 CD1 ILE A 308 6.728 -3.591 3.717 1.00 0.00 C ATOM 0 H ILE A 308 2.585 -2.671 3.540 1.00 0.00 H new ATOM 0 HA ILE A 308 4.511 -2.923 2.368 1.00 0.00 H new ATOM 0 HB ILE A 308 4.301 -4.409 4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 308 6.433 -5.723 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 308 6.272 -5.146 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 308 4.323 -6.865 4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 308 2.824 -6.127 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 308 4.123 -6.575 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 308 7.805 -3.686 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 308 6.351 -2.783 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 308 6.515 -3.369 4.763 1.00 0.00 H new ATOM 240 N VAL A 309 4.755 -3.908 0.193 1.00 0.00 N ATOM 241 CA VAL A 309 4.961 -4.445 -1.145 1.00 0.00 C ATOM 242 C VAL A 309 6.348 -4.022 -1.647 1.00 0.00 C ATOM 243 O VAL A 309 7.078 -4.819 -2.234 1.00 0.00 O ATOM 244 CB VAL A 309 3.840 -3.959 -2.094 1.00 0.00 C ATOM 245 CG1 VAL A 309 4.418 -3.519 -3.445 1.00 0.00 C ATOM 246 CG2 VAL A 309 2.841 -5.098 -2.337 1.00 0.00 C ATOM 0 H VAL A 309 5.237 -3.027 0.369 1.00 0.00 H new ATOM 0 HA VAL A 309 4.918 -5.534 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 309 3.343 -3.110 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 309 3.610 -3.182 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 309 5.124 -2.703 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 309 4.932 -4.359 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 309 2.052 -4.754 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 309 3.357 -5.944 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 309 2.403 -5.406 -1.388 1.00 0.00 H new ATOM 256 N TYR A 310 6.692 -2.757 -1.404 1.00 0.00 N ATOM 257 CA TYR A 310 7.984 -2.217 -1.824 1.00 0.00 C ATOM 258 C TYR A 310 9.176 -2.937 -1.170 1.00 0.00 C ATOM 259 O TYR A 310 10.231 -3.052 -1.792 1.00 0.00 O ATOM 260 CB TYR A 310 8.048 -0.690 -1.636 1.00 0.00 C ATOM 261 CG TYR A 310 7.239 -0.235 -0.443 1.00 0.00 C ATOM 262 CD1 TYR A 310 7.451 -0.795 0.812 1.00 0.00 C ATOM 263 CD2 TYR A 310 6.294 0.787 -0.599 1.00 0.00 C ATOM 264 CE1 TYR A 310 6.721 -0.344 1.919 1.00 0.00 C ATOM 265 CE2 TYR A 310 5.558 1.236 0.502 1.00 0.00 C ATOM 266 CZ TYR A 310 5.773 0.672 1.763 1.00 0.00 C ATOM 267 OH TYR A 310 5.053 1.120 2.853 1.00 0.00 O ATOM 0 H TYR A 310 6.094 -2.088 -0.919 1.00 0.00 H new ATOM 0 HA TYR A 310 8.070 -2.415 -2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 310 9.086 -0.383 -1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 310 7.678 -0.198 -2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 310 8.182 -1.581 0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 310 6.133 1.229 -1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 310 6.890 -0.781 2.892 1.00 0.00 H new ATOM 0 HE2 TYR A 310 4.824 2.018 0.378 1.00 0.00 H new ATOM 0 HH TYR A 310 4.438 1.829 2.570 1.00 0.00 H new ATOM 277 N LYS A 311 9.015 -3.427 0.064 1.00 0.00 N ATOM 278 CA LYS A 311 10.107 -4.145 0.744 1.00 0.00 C ATOM 279 C LYS A 311 11.320 -3.255 1.040 1.00 0.00 C ATOM 280 O LYS A 311 12.354 -3.380 0.382 1.00 0.00 O ATOM 281 CB LYS A 311 10.572 -5.338 -0.099 1.00 0.00 C ATOM 282 CG LYS A 311 9.374 -6.219 -0.464 1.00 0.00 C ATOM 283 CD LYS A 311 9.682 -6.984 -1.756 1.00 0.00 C ATOM 284 CE LYS A 311 10.947 -7.824 -1.569 1.00 0.00 C ATOM 285 NZ LYS A 311 10.983 -8.365 -0.184 1.00 0.00 N ATOM 0 H LYS A 311 8.156 -3.344 0.608 1.00 0.00 H new ATOM 0 HA LYS A 311 9.696 -4.482 1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.063 -4.984 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.307 -5.921 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 311 9.163 -6.919 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 311 8.483 -5.605 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 311 8.842 -7.627 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 311 9.817 -6.284 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 311 10.964 -8.641 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 311 11.832 -7.215 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 11.625 -9.182 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 11.322 -7.629 0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 10.027 -8.663 0.097 1.00 0.00 H new ATOM 299 N PRO A 312 11.233 -2.370 2.009 1.00 0.00 N ATOM 300 CA PRO A 312 12.397 -1.486 2.335 1.00 0.00 C ATOM 301 C PRO A 312 13.666 -2.303 2.579 1.00 0.00 C ATOM 302 O PRO A 312 14.776 -1.802 2.402 1.00 0.00 O ATOM 303 CB PRO A 312 11.962 -0.759 3.629 1.00 0.00 C ATOM 304 CG PRO A 312 10.702 -1.431 4.059 1.00 0.00 C ATOM 305 CD PRO A 312 10.068 -1.919 2.777 1.00 0.00 C ATOM 0 HA PRO A 312 12.636 -0.802 1.521 1.00 0.00 H new ATOM 0 HB2 PRO A 312 12.730 -0.835 4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 312 11.798 0.303 3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 312 10.907 -2.258 4.739 1.00 0.00 H new ATOM 0 HG3 PRO A 312 10.045 -0.740 4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 312 9.359 -2.728 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 312 9.524 -1.126 2.264 1.00 0.00 H new ATOM 313 N VAL A 313 13.497 -3.570 2.954 1.00 0.00 N ATOM 314 CA VAL A 313 14.644 -4.448 3.178 1.00 0.00 C ATOM 315 C VAL A 313 14.649 -5.618 2.211 1.00 0.00 C ATOM 316 O VAL A 313 13.645 -6.310 2.034 1.00 0.00 O ATOM 317 CB VAL A 313 14.631 -4.977 4.618 1.00 0.00 C ATOM 318 CG1 VAL A 313 15.844 -5.898 4.853 1.00 0.00 C ATOM 319 CG2 VAL A 313 14.727 -3.786 5.573 1.00 0.00 C ATOM 0 H VAL A 313 12.588 -4.007 3.108 1.00 0.00 H new ATOM 0 HA VAL A 313 15.546 -3.860 3.009 1.00 0.00 H new ATOM 0 HB VAL A 313 13.713 -5.539 4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 313 15.826 -6.269 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 313 15.801 -6.740 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 313 16.764 -5.338 4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 313 14.719 -4.144 6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 313 15.653 -3.242 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 313 13.878 -3.122 5.413 1.00 0.00 H new ATOM 329 N ASP A 314 15.812 -5.848 1.616 1.00 0.00 N ATOM 330 CA ASP A 314 15.999 -6.948 0.692 1.00 0.00 C ATOM 331 C ASP A 314 17.490 -7.245 0.572 1.00 0.00 C ATOM 332 O ASP A 314 17.958 -8.337 0.898 1.00 0.00 O ATOM 333 CB ASP A 314 15.427 -6.570 -0.677 1.00 0.00 C ATOM 334 CG ASP A 314 15.439 -7.776 -1.610 1.00 0.00 C ATOM 335 OD1 ASP A 314 15.773 -8.854 -1.148 1.00 0.00 O ATOM 336 OD2 ASP A 314 15.112 -7.602 -2.772 1.00 0.00 O ATOM 0 H ASP A 314 16.645 -5.278 1.762 1.00 0.00 H new ATOM 0 HA ASP A 314 15.480 -7.834 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 314 14.408 -6.201 -0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 314 16.013 -5.760 -1.112 1.00 0.00 H new ATOM 341 N LEU A 315 18.226 -6.234 0.106 1.00 0.00 N ATOM 342 CA LEU A 315 19.673 -6.335 -0.060 1.00 0.00 C ATOM 343 C LEU A 315 20.379 -6.589 1.272 1.00 0.00 C ATOM 344 O LEU A 315 21.385 -7.288 1.317 1.00 0.00 O ATOM 345 CB LEU A 315 20.214 -5.045 -0.688 1.00 0.00 C ATOM 346 CG LEU A 315 19.536 -4.787 -2.043 1.00 0.00 C ATOM 347 CD1 LEU A 315 20.177 -3.568 -2.710 1.00 0.00 C ATOM 348 CD2 LEU A 315 19.708 -6.002 -2.959 1.00 0.00 C ATOM 0 H LEU A 315 17.838 -5.330 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 315 19.874 -7.183 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 315 20.036 -4.204 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 315 21.293 -5.122 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 315 18.474 -4.607 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 315 19.697 -3.385 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 315 20.052 -2.695 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 315 21.240 -3.755 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 315 19.224 -5.808 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 315 20.770 -6.188 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 315 19.253 -6.876 -2.493 1.00 0.00 H new ATOM 360 N SER A 316 19.862 -6.005 2.350 1.00 0.00 N ATOM 361 CA SER A 316 20.481 -6.177 3.660 1.00 0.00 C ATOM 362 C SER A 316 20.476 -7.647 4.056 1.00 0.00 C ATOM 363 O SER A 316 21.332 -8.109 4.808 1.00 0.00 O ATOM 364 CB SER A 316 19.719 -5.381 4.710 1.00 0.00 C ATOM 365 OG SER A 316 18.461 -5.988 4.920 1.00 0.00 O ATOM 0 H SER A 316 19.028 -5.417 2.344 1.00 0.00 H new ATOM 0 HA SER A 316 21.508 -5.818 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 316 20.283 -5.350 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 316 19.590 -4.350 4.381 1.00 0.00 H new ATOM 0 HG SER A 316 18.246 -5.974 5.876 1.00 0.00 H new ATOM 371 N LYS A 317 19.489 -8.372 3.545 1.00 0.00 N ATOM 372 CA LYS A 317 19.352 -9.790 3.848 1.00 0.00 C ATOM 373 C LYS A 317 20.604 -10.572 3.443 1.00 0.00 C ATOM 374 O LYS A 317 21.009 -11.508 4.131 1.00 0.00 O ATOM 375 CB LYS A 317 18.127 -10.334 3.115 1.00 0.00 C ATOM 376 CG LYS A 317 17.872 -11.778 3.530 1.00 0.00 C ATOM 377 CD LYS A 317 16.679 -12.314 2.747 1.00 0.00 C ATOM 378 CE LYS A 317 16.313 -13.699 3.277 1.00 0.00 C ATOM 379 NZ LYS A 317 17.551 -14.394 3.735 1.00 0.00 N ATOM 0 H LYS A 317 18.773 -8.002 2.920 1.00 0.00 H new ATOM 0 HA LYS A 317 19.228 -9.910 4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 317 17.255 -9.722 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 317 18.283 -10.278 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 317 18.755 -12.387 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 317 17.676 -11.833 4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 317 15.830 -11.637 2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 317 16.920 -12.370 1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 317 15.606 -13.610 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 317 15.822 -14.282 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 317 17.360 -15.411 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 317 18.307 -14.254 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 317 17.850 -14.002 4.651 1.00 0.00 H new ATOM 393 N VAL A 318 21.211 -10.187 2.321 1.00 0.00 N ATOM 394 CA VAL A 318 22.411 -10.866 1.842 1.00 0.00 C ATOM 395 C VAL A 318 23.512 -10.823 2.900 1.00 0.00 C ATOM 396 O VAL A 318 24.297 -11.761 3.033 1.00 0.00 O ATOM 397 CB VAL A 318 22.892 -10.217 0.536 1.00 0.00 C ATOM 398 CG1 VAL A 318 23.581 -8.874 0.822 1.00 0.00 C ATOM 399 CG2 VAL A 318 23.866 -11.161 -0.178 1.00 0.00 C ATOM 0 H VAL A 318 20.894 -9.416 1.733 1.00 0.00 H new ATOM 0 HA VAL A 318 22.169 -11.911 1.648 1.00 0.00 H new ATOM 0 HB VAL A 318 22.029 -10.033 -0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 318 23.915 -8.429 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 318 22.877 -8.201 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 318 24.440 -9.037 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 318 24.207 -10.699 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 318 24.723 -11.355 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 318 23.362 -12.100 -0.405 1.00 0.00 H new ATOM 409 N THR A 319 23.558 -9.726 3.652 1.00 0.00 N ATOM 410 CA THR A 319 24.561 -9.558 4.697 1.00 0.00 C ATOM 411 C THR A 319 24.344 -8.227 5.424 1.00 0.00 C ATOM 412 O THR A 319 24.406 -7.199 4.769 1.00 0.00 O ATOM 413 CB THR A 319 25.976 -9.600 4.078 1.00 0.00 C ATOM 414 OG1 THR A 319 25.867 -9.674 2.665 1.00 0.00 O ATOM 415 CG2 THR A 319 26.746 -10.826 4.583 1.00 0.00 C ATOM 416 OXT THR A 319 24.121 -8.258 6.623 1.00 0.00 O ATOM 0 H THR A 319 22.913 -8.942 3.556 1.00 0.00 H new ATOM 0 HA THR A 319 24.464 -10.371 5.416 1.00 0.00 H new ATOM 0 HB THR A 319 26.513 -8.697 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 319 26.307 -8.896 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 319 27.741 -10.840 4.137 1.00 0.00 H new ATOM 0 HG22 THR A 319 26.836 -10.778 5.668 1.00 0.00 H new ATOM 0 HG23 THR A 319 26.210 -11.733 4.303 1.00 0.00 H new TER 424 THR A 319