USER MOD reduce.3.24.130724 H: found=0, std=0, add=213, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 214 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 -31:sc= 0.0473 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= -0.112 K(o=-0.11,f=-2.2!) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= -0.0137 K(o=-0.014,f=-0.75) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 316 SER OG : rot -40:sc= 0.322 USER MOD Single : A 317 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 319 THR OG1 : rot -69:sc= 0.849 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 293 -31.573 4.211 -10.102 1.00 0.00 N ATOM 9 CA SER A 293 -30.130 3.980 -10.091 1.00 0.00 C ATOM 10 C SER A 293 -29.651 3.656 -8.680 1.00 0.00 C ATOM 11 O SER A 293 -30.301 4.007 -7.695 1.00 0.00 O ATOM 12 CB SER A 293 -29.390 5.207 -10.622 1.00 0.00 C ATOM 13 OG SER A 293 -29.592 6.298 -9.735 1.00 0.00 O ATOM 0 HA SER A 293 -29.915 3.130 -10.739 1.00 0.00 H new ATOM 0 HB2 SER A 293 -28.326 4.992 -10.715 1.00 0.00 H new ATOM 0 HB3 SER A 293 -29.752 5.461 -11.618 1.00 0.00 H new ATOM 0 HG SER A 293 -30.475 6.221 -9.317 1.00 0.00 H new ATOM 19 N LYS A 294 -28.518 2.971 -8.597 1.00 0.00 N ATOM 20 CA LYS A 294 -27.949 2.576 -7.316 1.00 0.00 C ATOM 21 C LYS A 294 -26.963 3.603 -6.775 1.00 0.00 C ATOM 22 O LYS A 294 -26.414 4.423 -7.511 1.00 0.00 O ATOM 23 CB LYS A 294 -27.268 1.211 -7.404 1.00 0.00 C ATOM 24 CG LYS A 294 -28.319 0.134 -7.689 1.00 0.00 C ATOM 25 CD LYS A 294 -27.652 -1.247 -7.748 1.00 0.00 C ATOM 26 CE LYS A 294 -27.207 -1.686 -6.337 1.00 0.00 C ATOM 27 NZ LYS A 294 -27.859 -2.982 -5.990 1.00 0.00 N ATOM 0 H LYS A 294 -27.973 2.676 -9.407 1.00 0.00 H new ATOM 0 HA LYS A 294 -28.787 2.514 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -26.516 1.218 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -26.749 0.990 -6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -29.083 0.145 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -28.821 0.345 -8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -28.348 -1.977 -8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -26.791 -1.214 -8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -26.123 -1.792 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -27.476 -0.924 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -27.559 -3.278 -5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -28.892 -2.866 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -27.581 -3.707 -6.682 1.00 0.00 H new ATOM 41 N ASP A 295 -26.766 3.535 -5.467 1.00 0.00 N ATOM 42 CA ASP A 295 -25.869 4.432 -4.752 1.00 0.00 C ATOM 43 C ASP A 295 -24.479 4.419 -5.383 1.00 0.00 C ATOM 44 O ASP A 295 -23.799 5.445 -5.389 1.00 0.00 O ATOM 45 CB ASP A 295 -25.783 4.035 -3.280 1.00 0.00 C ATOM 46 CG ASP A 295 -27.121 4.301 -2.597 1.00 0.00 C ATOM 47 OD1 ASP A 295 -27.950 4.963 -3.202 1.00 0.00 O ATOM 48 OD2 ASP A 295 -27.298 3.841 -1.481 1.00 0.00 O ATOM 0 H ASP A 295 -27.227 2.851 -4.867 1.00 0.00 H new ATOM 0 HA ASP A 295 -26.270 5.443 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 295 -25.522 2.980 -3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 295 -24.993 4.601 -2.786 1.00 0.00 H new ATOM 53 N ASN A 296 -24.047 3.272 -5.910 1.00 0.00 N ATOM 54 CA ASN A 296 -22.721 3.209 -6.522 1.00 0.00 C ATOM 55 C ASN A 296 -21.615 3.439 -5.503 1.00 0.00 C ATOM 56 O ASN A 296 -20.774 4.322 -5.667 1.00 0.00 O ATOM 57 CB ASN A 296 -22.602 4.255 -7.633 1.00 0.00 C ATOM 58 CG ASN A 296 -21.439 3.895 -8.552 1.00 0.00 C ATOM 59 OD1 ASN A 296 -21.004 2.743 -8.580 1.00 0.00 O ATOM 60 ND2 ASN A 296 -20.901 4.815 -9.306 1.00 0.00 N ATOM 0 H ASN A 296 -24.577 2.401 -5.926 1.00 0.00 H new ATOM 0 HA ASN A 296 -22.604 2.207 -6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 296 -23.529 4.301 -8.204 1.00 0.00 H new ATOM 0 HB3 ASN A 296 -22.445 5.243 -7.201 1.00 0.00 H new ATOM 0 HD21 ASN A 296 -20.120 4.580 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 296 -21.262 5.769 -9.282 1.00 0.00 H new ATOM 67 N ILE A 297 -21.638 2.644 -4.436 1.00 0.00 N ATOM 68 CA ILE A 297 -20.647 2.777 -3.378 1.00 0.00 C ATOM 69 C ILE A 297 -19.276 2.356 -3.913 1.00 0.00 C ATOM 70 O ILE A 297 -19.159 1.418 -4.703 1.00 0.00 O ATOM 71 CB ILE A 297 -21.028 1.864 -2.210 1.00 0.00 C ATOM 72 CG1 ILE A 297 -22.419 2.237 -1.697 1.00 0.00 C ATOM 73 CG2 ILE A 297 -20.014 2.029 -1.076 1.00 0.00 C ATOM 74 CD1 ILE A 297 -22.844 1.236 -0.619 1.00 0.00 C ATOM 0 H ILE A 297 -22.327 1.907 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 297 -20.610 3.813 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 297 -21.030 0.829 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -22.410 3.247 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -23.136 2.232 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -20.288 1.378 -0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -19.020 1.761 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -20.011 3.065 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -23.836 1.498 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -22.868 0.232 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -22.131 1.264 0.205 1.00 0.00 H new ATOM 86 N LYS A 298 -18.259 3.119 -3.519 1.00 0.00 N ATOM 87 CA LYS A 298 -16.888 2.912 -3.994 1.00 0.00 C ATOM 88 C LYS A 298 -16.164 1.749 -3.330 1.00 0.00 C ATOM 89 O LYS A 298 -16.341 1.466 -2.146 1.00 0.00 O ATOM 90 CB LYS A 298 -16.061 4.167 -3.713 1.00 0.00 C ATOM 91 CG LYS A 298 -15.861 4.312 -2.195 1.00 0.00 C ATOM 92 CD LYS A 298 -15.137 5.623 -1.895 1.00 0.00 C ATOM 93 CE LYS A 298 -14.665 5.640 -0.435 1.00 0.00 C ATOM 94 NZ LYS A 298 -13.254 5.161 -0.363 1.00 0.00 N ATOM 0 H LYS A 298 -18.358 3.895 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 298 -16.979 2.689 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -15.095 4.100 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -16.567 5.047 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -16.826 4.294 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -15.284 3.470 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -14.283 5.738 -2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -15.802 6.466 -2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -14.739 6.649 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -15.308 5.004 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -12.934 5.172 0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -13.197 4.191 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -12.646 5.785 -0.931 1.00 0.00 H new ATOM 108 N HIS A 299 -15.293 1.130 -4.122 1.00 0.00 N ATOM 109 CA HIS A 299 -14.452 0.040 -3.655 1.00 0.00 C ATOM 110 C HIS A 299 -12.989 0.447 -3.833 1.00 0.00 C ATOM 111 O HIS A 299 -12.627 1.038 -4.850 1.00 0.00 O ATOM 112 CB HIS A 299 -14.729 -1.228 -4.471 1.00 0.00 C ATOM 113 CG HIS A 299 -16.146 -1.686 -4.248 1.00 0.00 C ATOM 114 ND1 HIS A 299 -17.187 -1.278 -5.067 1.00 0.00 N ATOM 115 CD2 HIS A 299 -16.708 -2.529 -3.319 1.00 0.00 C ATOM 116 CE1 HIS A 299 -18.311 -1.868 -4.621 1.00 0.00 C ATOM 117 NE2 HIS A 299 -18.075 -2.643 -3.558 1.00 0.00 N ATOM 0 H HIS A 299 -15.153 1.372 -5.103 1.00 0.00 H new ATOM 0 HA HIS A 299 -14.666 -0.164 -2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 299 -14.564 -1.032 -5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 299 -14.034 -2.016 -4.181 1.00 0.00 H new ATOM 0 HD2 HIS A 299 -16.171 -3.027 -2.525 1.00 0.00 H new ATOM 0 HE1 HIS A 299 -19.285 -1.732 -5.067 1.00 0.00 H new ATOM 0 HE2 HIS A 299 -18.751 -3.199 -3.034 1.00 0.00 H new ATOM 126 N VAL A 300 -12.144 0.127 -2.861 1.00 0.00 N ATOM 127 CA VAL A 300 -10.725 0.473 -2.960 1.00 0.00 C ATOM 128 C VAL A 300 -9.873 -0.793 -2.839 1.00 0.00 C ATOM 129 O VAL A 300 -9.246 -1.038 -1.808 1.00 0.00 O ATOM 130 CB VAL A 300 -10.356 1.435 -1.829 1.00 0.00 C ATOM 131 CG1 VAL A 300 -10.848 2.844 -2.166 1.00 0.00 C ATOM 132 CG2 VAL A 300 -11.018 0.965 -0.535 1.00 0.00 C ATOM 0 H VAL A 300 -12.407 -0.364 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 300 -10.538 0.946 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 300 -9.273 1.452 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -10.583 3.525 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 300 -10.381 3.181 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -11.931 2.831 -2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -10.759 1.647 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -12.100 0.950 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -10.668 -0.038 -0.291 1.00 0.00 H new ATOM 142 N PRO A 301 -9.860 -1.599 -3.872 1.00 0.00 N ATOM 143 CA PRO A 301 -9.089 -2.871 -3.891 1.00 0.00 C ATOM 144 C PRO A 301 -7.579 -2.691 -3.723 1.00 0.00 C ATOM 145 O PRO A 301 -6.886 -3.616 -3.301 1.00 0.00 O ATOM 146 CB PRO A 301 -9.421 -3.453 -5.263 1.00 0.00 C ATOM 147 CG PRO A 301 -9.686 -2.275 -6.150 1.00 0.00 C ATOM 148 CD PRO A 301 -10.072 -1.098 -5.243 1.00 0.00 C ATOM 0 HA PRO A 301 -9.361 -3.511 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 301 -8.594 -4.052 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 301 -10.291 -4.107 -5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 301 -8.802 -2.032 -6.740 1.00 0.00 H new ATOM 0 HG3 PRO A 301 -10.488 -2.497 -6.854 1.00 0.00 H new ATOM 0 HD2 PRO A 301 -9.454 -0.223 -5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 301 -11.109 -0.800 -5.400 1.00 0.00 H new ATOM 156 N GLY A 302 -7.060 -1.518 -4.088 1.00 0.00 N ATOM 157 CA GLY A 302 -5.619 -1.282 -4.001 1.00 0.00 C ATOM 158 C GLY A 302 -5.264 0.099 -3.461 1.00 0.00 C ATOM 159 O GLY A 302 -4.537 0.844 -4.120 1.00 0.00 O ATOM 0 H GLY A 302 -7.604 -0.730 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 302 -5.172 -2.041 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 302 -5.178 -1.402 -4.991 1.00 0.00 H new ATOM 163 N GLY A 303 -5.711 0.433 -2.255 1.00 0.00 N ATOM 164 CA GLY A 303 -5.338 1.708 -1.686 1.00 0.00 C ATOM 165 C GLY A 303 -3.833 1.724 -1.661 1.00 0.00 C ATOM 166 O GLY A 303 -3.172 2.762 -1.660 1.00 0.00 O ATOM 0 H GLY A 303 -6.314 -0.147 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 303 -5.728 2.532 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 303 -5.747 1.822 -0.682 1.00 0.00 H new ATOM 170 N GLY A 304 -3.338 0.505 -1.553 1.00 0.00 N ATOM 171 CA GLY A 304 -1.933 0.210 -1.423 1.00 0.00 C ATOM 172 C GLY A 304 -1.740 -0.005 0.049 1.00 0.00 C ATOM 173 O GLY A 304 -0.717 -0.494 0.526 1.00 0.00 O ATOM 0 H GLY A 304 -3.925 -0.329 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 304 -1.657 -0.676 -1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -1.317 1.031 -1.790 1.00 0.00 H new ATOM 177 N SER A 305 -2.810 0.353 0.749 1.00 0.00 N ATOM 178 CA SER A 305 -2.898 0.206 2.171 1.00 0.00 C ATOM 179 C SER A 305 -2.906 -1.259 2.591 1.00 0.00 C ATOM 180 O SER A 305 -2.550 -1.593 3.722 1.00 0.00 O ATOM 181 CB SER A 305 -4.172 0.879 2.675 1.00 0.00 C ATOM 182 OG SER A 305 -5.303 0.147 2.216 1.00 0.00 O ATOM 0 H SER A 305 -3.645 0.758 0.326 1.00 0.00 H new ATOM 0 HA SER A 305 -2.018 0.678 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 305 -4.169 0.921 3.764 1.00 0.00 H new ATOM 0 HB3 SER A 305 -4.220 1.907 2.317 1.00 0.00 H new ATOM 0 HG SER A 305 -6.123 0.575 2.539 1.00 0.00 H new ATOM 188 N VAL A 306 -3.399 -2.124 1.698 1.00 0.00 N ATOM 189 CA VAL A 306 -3.544 -3.531 2.039 1.00 0.00 C ATOM 190 C VAL A 306 -2.205 -4.160 2.372 1.00 0.00 C ATOM 191 O VAL A 306 -2.048 -4.884 3.354 1.00 0.00 O ATOM 192 CB VAL A 306 -4.019 -4.272 0.799 1.00 0.00 C ATOM 193 CG1 VAL A 306 -4.231 -5.751 1.133 1.00 0.00 C ATOM 194 CG2 VAL A 306 -5.292 -3.634 0.237 1.00 0.00 C ATOM 0 H VAL A 306 -3.697 -1.876 0.755 1.00 0.00 H new ATOM 0 HA VAL A 306 -4.227 -3.597 2.886 1.00 0.00 H new ATOM 0 HB VAL A 306 -3.255 -4.200 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -4.571 -6.280 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -3.292 -6.185 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -4.981 -5.843 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -5.612 -4.181 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -6.080 -3.669 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -5.092 -2.596 -0.030 1.00 0.00 H new ATOM 204 N GLN A 307 -1.255 -3.866 1.507 1.00 0.00 N ATOM 205 CA GLN A 307 0.089 -4.373 1.624 1.00 0.00 C ATOM 206 C GLN A 307 1.075 -3.369 1.075 1.00 0.00 C ATOM 207 O GLN A 307 0.704 -2.472 0.316 1.00 0.00 O ATOM 208 CB GLN A 307 0.211 -5.685 0.854 1.00 0.00 C ATOM 209 CG GLN A 307 0.059 -5.399 -0.641 1.00 0.00 C ATOM 210 CD GLN A 307 -0.093 -6.707 -1.408 1.00 0.00 C ATOM 211 OE1 GLN A 307 -0.800 -7.610 -0.964 1.00 0.00 O ATOM 212 NE2 GLN A 307 0.524 -6.856 -2.548 1.00 0.00 N ATOM 0 H GLN A 307 -1.400 -3.263 0.697 1.00 0.00 H new ATOM 0 HA GLN A 307 0.311 -4.547 2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 307 1.177 -6.150 1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -0.555 -6.388 1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.811 -4.764 -0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 307 0.929 -4.853 -1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 307 1.110 -6.105 -2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 307 0.421 -7.724 -3.074 1.00 0.00 H new ATOM 221 N ILE A 308 2.333 -3.560 1.405 1.00 0.00 N ATOM 222 CA ILE A 308 3.375 -2.695 0.861 1.00 0.00 C ATOM 223 C ILE A 308 4.430 -3.516 0.106 1.00 0.00 C ATOM 224 O ILE A 308 4.975 -4.501 0.609 1.00 0.00 O ATOM 225 CB ILE A 308 4.028 -1.889 1.980 1.00 0.00 C ATOM 226 CG1 ILE A 308 5.104 -0.978 1.387 1.00 0.00 C ATOM 227 CG2 ILE A 308 4.661 -2.836 2.997 1.00 0.00 C ATOM 228 CD1 ILE A 308 4.480 -0.012 0.379 1.00 0.00 C ATOM 0 H ILE A 308 2.663 -4.291 2.035 1.00 0.00 H new ATOM 0 HA ILE A 308 2.913 -2.006 0.154 1.00 0.00 H new ATOM 0 HB ILE A 308 3.272 -1.283 2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 308 5.596 -0.418 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 308 5.871 -1.579 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 308 5.126 -2.256 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 308 3.892 -3.483 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 308 5.417 -3.447 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 308 5.256 0.631 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 308 4.009 -0.578 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 308 3.730 0.601 0.879 1.00 0.00 H new ATOM 240 N VAL A 309 4.694 -3.054 -1.109 1.00 0.00 N ATOM 241 CA VAL A 309 5.664 -3.643 -2.039 1.00 0.00 C ATOM 242 C VAL A 309 7.135 -3.534 -1.604 1.00 0.00 C ATOM 243 O VAL A 309 7.962 -4.336 -2.041 1.00 0.00 O ATOM 244 CB VAL A 309 5.490 -3.059 -3.452 1.00 0.00 C ATOM 245 CG1 VAL A 309 6.614 -3.573 -4.351 1.00 0.00 C ATOM 246 CG2 VAL A 309 4.138 -3.499 -4.046 1.00 0.00 C ATOM 0 H VAL A 309 4.227 -2.232 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 309 5.436 -4.709 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 309 5.521 -1.971 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 309 6.495 -3.162 -5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 309 7.576 -3.263 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.573 -4.661 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.026 -3.080 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.102 -4.587 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 309 3.328 -3.142 -3.410 1.00 0.00 H new ATOM 256 N TYR A 310 7.491 -2.464 -0.885 1.00 0.00 N ATOM 257 CA TYR A 310 8.911 -2.202 -0.591 1.00 0.00 C ATOM 258 C TYR A 310 9.724 -3.351 0.037 1.00 0.00 C ATOM 259 O TYR A 310 10.914 -3.452 -0.265 1.00 0.00 O ATOM 260 CB TYR A 310 9.142 -0.868 0.183 1.00 0.00 C ATOM 261 CG TYR A 310 8.404 -0.717 1.526 1.00 0.00 C ATOM 262 CD1 TYR A 310 8.111 -1.800 2.365 1.00 0.00 C ATOM 263 CD2 TYR A 310 8.087 0.583 1.963 1.00 0.00 C ATOM 264 CE1 TYR A 310 7.507 -1.592 3.613 1.00 0.00 C ATOM 265 CE2 TYR A 310 7.475 0.786 3.212 1.00 0.00 C ATOM 266 CZ TYR A 310 7.188 -0.305 4.036 1.00 0.00 C ATOM 267 OH TYR A 310 6.600 -0.109 5.268 1.00 0.00 O ATOM 0 H TYR A 310 6.838 -1.780 -0.503 1.00 0.00 H new ATOM 0 HA TYR A 310 9.322 -2.105 -1.596 1.00 0.00 H new ATOM 0 HB2 TYR A 310 10.211 -0.761 0.367 1.00 0.00 H new ATOM 0 HB3 TYR A 310 8.846 -0.042 -0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 310 8.352 -2.804 2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 310 8.316 1.431 1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 310 7.288 -2.436 4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 310 7.226 1.786 3.535 1.00 0.00 H new ATOM 0 HH TYR A 310 6.445 0.848 5.408 1.00 0.00 H new ATOM 277 N LYS A 311 9.177 -4.209 0.876 1.00 0.00 N ATOM 278 CA LYS A 311 10.021 -5.269 1.426 1.00 0.00 C ATOM 279 C LYS A 311 11.276 -4.641 2.081 1.00 0.00 C ATOM 280 O LYS A 311 12.392 -4.857 1.614 1.00 0.00 O ATOM 281 CB LYS A 311 10.441 -6.214 0.268 1.00 0.00 C ATOM 282 CG LYS A 311 9.883 -7.630 0.482 1.00 0.00 C ATOM 283 CD LYS A 311 10.554 -8.279 1.700 1.00 0.00 C ATOM 284 CE LYS A 311 10.646 -9.798 1.494 1.00 0.00 C ATOM 285 NZ LYS A 311 11.356 -10.424 2.649 1.00 0.00 N ATOM 0 H LYS A 311 8.205 -4.205 1.184 1.00 0.00 H new ATOM 0 HA LYS A 311 9.476 -5.834 2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 311 10.079 -5.816 -0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.528 -6.254 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 311 8.804 -7.586 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 311 10.058 -8.237 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 311 11.550 -7.861 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 311 9.983 -8.059 2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 311 9.647 -10.222 1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 311 11.177 -10.017 0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 11.415 -11.452 2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 12.315 -10.029 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 10.833 -10.228 3.526 1.00 0.00 H new ATOM 299 N PRO A 312 11.108 -3.865 3.139 1.00 0.00 N ATOM 300 CA PRO A 312 12.244 -3.202 3.840 1.00 0.00 C ATOM 301 C PRO A 312 13.613 -3.434 3.203 1.00 0.00 C ATOM 302 O PRO A 312 14.494 -4.043 3.810 1.00 0.00 O ATOM 303 CB PRO A 312 12.148 -3.819 5.233 1.00 0.00 C ATOM 304 CG PRO A 312 10.682 -4.126 5.427 1.00 0.00 C ATOM 305 CD PRO A 312 9.993 -3.862 4.085 1.00 0.00 C ATOM 0 HA PRO A 312 12.167 -2.115 3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 312 12.753 -4.723 5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 312 12.511 -3.130 5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 312 10.542 -5.162 5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 312 10.256 -3.499 6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 312 9.260 -4.634 3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 312 9.464 -2.909 4.083 1.00 0.00 H new ATOM 313 N VAL A 313 13.772 -2.920 1.981 1.00 0.00 N ATOM 314 CA VAL A 313 15.025 -3.032 1.231 1.00 0.00 C ATOM 315 C VAL A 313 15.892 -4.179 1.737 1.00 0.00 C ATOM 316 O VAL A 313 17.059 -3.983 2.072 1.00 0.00 O ATOM 317 CB VAL A 313 15.811 -1.720 1.339 1.00 0.00 C ATOM 318 CG1 VAL A 313 15.267 -0.701 0.332 1.00 0.00 C ATOM 319 CG2 VAL A 313 15.659 -1.159 2.755 1.00 0.00 C ATOM 0 H VAL A 313 13.037 -2.416 1.485 1.00 0.00 H new ATOM 0 HA VAL A 313 14.768 -3.236 0.192 1.00 0.00 H new ATOM 0 HB VAL A 313 16.862 -1.911 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 313 15.830 0.229 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 313 15.368 -1.098 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 313 14.215 -0.508 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 313 16.216 -0.226 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 313 14.605 -0.972 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 313 16.048 -1.879 3.475 1.00 0.00 H new ATOM 329 N ASP A 314 15.325 -5.372 1.788 1.00 0.00 N ATOM 330 CA ASP A 314 16.071 -6.525 2.255 1.00 0.00 C ATOM 331 C ASP A 314 17.291 -6.778 1.371 1.00 0.00 C ATOM 332 O ASP A 314 18.328 -7.219 1.860 1.00 0.00 O ATOM 333 CB ASP A 314 15.168 -7.768 2.320 1.00 0.00 C ATOM 334 CG ASP A 314 14.694 -8.190 0.934 1.00 0.00 C ATOM 335 OD1 ASP A 314 13.775 -8.993 0.864 1.00 0.00 O ATOM 336 OD2 ASP A 314 15.247 -7.709 -0.031 1.00 0.00 O ATOM 0 H ASP A 314 14.361 -5.566 1.515 1.00 0.00 H new ATOM 0 HA ASP A 314 16.427 -6.315 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 314 15.712 -8.590 2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 314 14.305 -7.559 2.952 1.00 0.00 H new ATOM 341 N LEU A 315 17.192 -6.499 0.074 1.00 0.00 N ATOM 342 CA LEU A 315 18.349 -6.722 -0.783 1.00 0.00 C ATOM 343 C LEU A 315 19.519 -5.890 -0.286 1.00 0.00 C ATOM 344 O LEU A 315 20.659 -6.355 -0.288 1.00 0.00 O ATOM 345 CB LEU A 315 18.063 -6.362 -2.247 1.00 0.00 C ATOM 346 CG LEU A 315 17.062 -7.348 -2.865 1.00 0.00 C ATOM 347 CD1 LEU A 315 15.618 -6.933 -2.553 1.00 0.00 C ATOM 348 CD2 LEU A 315 17.278 -7.404 -4.382 1.00 0.00 C ATOM 0 H LEU A 315 16.360 -6.134 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 315 18.588 -7.785 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 315 17.666 -5.349 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 315 18.992 -6.374 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 315 17.229 -8.335 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 315 14.929 -7.648 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 315 15.470 -6.915 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 315 15.428 -5.940 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 315 16.569 -8.103 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 315 17.124 -6.413 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 315 18.295 -7.736 -4.593 1.00 0.00 H new ATOM 360 N SER A 316 19.235 -4.674 0.186 1.00 0.00 N ATOM 361 CA SER A 316 20.295 -3.840 0.730 1.00 0.00 C ATOM 362 C SER A 316 20.868 -4.520 1.949 1.00 0.00 C ATOM 363 O SER A 316 22.036 -4.349 2.300 1.00 0.00 O ATOM 364 CB SER A 316 19.774 -2.469 1.127 1.00 0.00 C ATOM 365 OG SER A 316 18.894 -2.604 2.234 1.00 0.00 O ATOM 0 H SER A 316 18.304 -4.258 0.201 1.00 0.00 H new ATOM 0 HA SER A 316 21.058 -3.706 -0.037 1.00 0.00 H new ATOM 0 HB2 SER A 316 20.605 -1.813 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 316 19.253 -2.008 0.288 1.00 0.00 H new ATOM 0 HG SER A 316 18.339 -3.403 2.115 1.00 0.00 H new ATOM 371 N LYS A 317 20.016 -5.306 2.589 1.00 0.00 N ATOM 372 CA LYS A 317 20.408 -6.036 3.774 1.00 0.00 C ATOM 373 C LYS A 317 21.110 -7.311 3.353 1.00 0.00 C ATOM 374 O LYS A 317 20.632 -8.031 2.474 1.00 0.00 O ATOM 375 CB LYS A 317 19.165 -6.374 4.601 1.00 0.00 C ATOM 376 CG LYS A 317 19.569 -6.951 5.955 1.00 0.00 C ATOM 377 CD LYS A 317 18.301 -7.223 6.773 1.00 0.00 C ATOM 378 CE LYS A 317 17.508 -8.383 6.154 1.00 0.00 C ATOM 379 NZ LYS A 317 17.028 -9.279 7.244 1.00 0.00 N ATOM 0 H LYS A 317 19.048 -5.452 2.303 1.00 0.00 H new ATOM 0 HA LYS A 317 21.082 -5.430 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 317 18.562 -5.478 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 317 18.546 -7.092 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 317 20.136 -7.872 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 317 20.218 -6.253 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 317 18.568 -7.464 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 317 17.682 -6.327 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 317 16.663 -7.999 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 317 18.136 -8.940 5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 317 16.489 -10.068 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 317 17.843 -9.653 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 317 16.416 -8.742 7.891 1.00 0.00 H new ATOM 393 N VAL A 318 22.241 -7.588 3.972 1.00 0.00 N ATOM 394 CA VAL A 318 22.996 -8.789 3.636 1.00 0.00 C ATOM 395 C VAL A 318 23.367 -9.562 4.896 1.00 0.00 C ATOM 396 O VAL A 318 23.682 -8.971 5.929 1.00 0.00 O ATOM 397 CB VAL A 318 24.256 -8.394 2.868 1.00 0.00 C ATOM 398 CG1 VAL A 318 25.173 -7.581 3.785 1.00 0.00 C ATOM 399 CG2 VAL A 318 24.983 -9.652 2.399 1.00 0.00 C ATOM 0 H VAL A 318 22.657 -7.009 4.702 1.00 0.00 H new ATOM 0 HA VAL A 318 22.378 -9.435 3.013 1.00 0.00 H new ATOM 0 HB VAL A 318 23.983 -7.792 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 318 26.073 -7.297 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 318 24.652 -6.683 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 318 25.448 -8.183 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 318 25.882 -9.370 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 318 25.259 -10.256 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 318 24.327 -10.230 1.747 1.00 0.00 H new ATOM 409 N THR A 319 23.320 -10.890 4.796 1.00 0.00 N ATOM 410 CA THR A 319 23.644 -11.752 5.927 1.00 0.00 C ATOM 411 C THR A 319 24.974 -11.352 6.554 1.00 0.00 C ATOM 412 O THR A 319 25.977 -11.941 6.187 1.00 0.00 O ATOM 413 CB THR A 319 23.713 -13.211 5.468 1.00 0.00 C ATOM 414 OG1 THR A 319 24.492 -13.958 6.393 1.00 0.00 O ATOM 415 CG2 THR A 319 24.347 -13.284 4.073 1.00 0.00 C ATOM 416 OXT THR A 319 24.967 -10.469 7.392 1.00 0.00 O ATOM 0 H THR A 319 23.061 -11.389 3.945 1.00 0.00 H new ATOM 0 HA THR A 319 22.860 -11.640 6.675 1.00 0.00 H new ATOM 0 HB THR A 319 22.707 -13.628 5.423 1.00 0.00 H new ATOM 0 HG1 THR A 319 25.429 -13.677 6.334 1.00 0.00 H new ATOM 0 HG21 THR A 319 24.395 -14.324 3.749 1.00 0.00 H new ATOM 0 HG22 THR A 319 23.743 -12.712 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 319 25.354 -12.869 4.109 1.00 0.00 H new