USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 241 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 298 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 299 ASN : amide:sc=-0.00715 X(o=-0.0071,f=-0.45) USER MOD Single : A 302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 303 SER OG : rot 180:sc= 0.103 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 TYR OH : rot -67:sc= 1.18 USER MOD Single : A 307 LYS NZ :NH3+ -158:sc= 1.2 (180deg=0.404) USER MOD Single : A 308 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.115) USER MOD Single : A 312 LYS NZ :NH3+ 175:sc= 1.79 (180deg=1.74) USER MOD Single : A 319 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0124) USER MOD Single : A 322 SER OG : rot 144:sc= 0.912 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 0.908 5.195 -1.089 1.00 25.00 N ATOM 2 CA THR A 298 1.606 3.878 -1.042 1.00 25.00 C ATOM 3 C THR A 298 1.402 3.093 -2.370 1.00 25.00 C ATOM 4 O THR A 298 2.052 3.432 -3.335 1.00 25.00 O ATOM 5 CB THR A 298 1.131 3.037 0.220 1.00 25.00 C ATOM 6 OG1 THR A 298 1.509 1.667 0.081 1.00 25.00 O ATOM 7 CG2 THR A 298 -0.412 3.099 0.448 1.00 25.00 C ATOM 0 HA THR A 298 2.676 4.057 -0.934 1.00 25.00 H new ATOM 0 HB THR A 298 1.622 3.489 1.082 1.00 25.00 H new ATOM 0 HG1 THR A 298 1.210 1.164 0.867 1.00 25.00 H new ATOM 0 HG21 THR A 298 -0.675 2.506 1.324 1.00 25.00 H new ATOM 0 HG22 THR A 298 -0.715 4.134 0.607 1.00 25.00 H new ATOM 0 HG23 THR A 298 -0.925 2.701 -0.427 1.00 25.00 H new ATOM 17 N ASN A 299 0.535 2.084 -2.452 1.00 25.00 N ATOM 18 CA ASN A 299 0.372 1.284 -3.657 1.00 25.00 C ATOM 19 C ASN A 299 -0.357 2.033 -4.752 1.00 25.00 C ATOM 20 O ASN A 299 -1.588 1.979 -4.834 1.00 25.00 O ATOM 21 CB ASN A 299 -0.398 -0.002 -3.306 1.00 25.00 C ATOM 22 CG ASN A 299 0.421 -0.971 -2.509 1.00 25.00 C ATOM 23 OD1 ASN A 299 1.532 -1.277 -2.881 1.00 25.00 O ATOM 24 ND2 ASN A 299 -0.100 -1.442 -1.438 1.00 25.00 N ATOM 0 H ASN A 299 -0.072 1.801 -1.683 1.00 25.00 H new ATOM 0 HA ASN A 299 1.365 1.045 -4.037 1.00 25.00 H new ATOM 0 HB2 ASN A 299 -1.294 0.259 -2.742 1.00 25.00 H new ATOM 0 HB3 ASN A 299 -0.729 -0.484 -4.226 1.00 25.00 H new ATOM 0 HD21 ASN A 299 0.425 -2.101 -0.863 1.00 25.00 H new ATOM 0 HD22 ASN A 299 -1.039 -1.158 -1.160 1.00 25.00 H new ATOM 31 N ARG A 300 0.403 2.731 -5.585 1.00 25.00 N ATOM 32 CA ARG A 300 -0.076 3.449 -6.663 1.00 25.00 C ATOM 33 C ARG A 300 -0.592 2.530 -7.788 1.00 25.00 C ATOM 34 O ARG A 300 -1.273 2.993 -8.703 1.00 25.00 O ATOM 35 CB ARG A 300 1.201 4.122 -7.045 1.00 25.00 C ATOM 36 CG ARG A 300 1.481 5.429 -6.326 1.00 25.00 C ATOM 37 CD ARG A 300 0.692 6.638 -6.847 1.00 25.00 C ATOM 38 NE ARG A 300 1.356 7.264 -8.011 1.00 25.00 N ATOM 39 CZ ARG A 300 1.058 8.456 -8.523 1.00 25.00 C ATOM 40 NH1 ARG A 300 0.107 9.209 -8.032 1.00 25.00 N ATOM 41 NH2 ARG A 300 1.730 8.897 -9.536 1.00 25.00 N ATOM 0 H ARG A 300 1.417 2.788 -5.486 1.00 25.00 H new ATOM 0 HA ARG A 300 -0.926 4.101 -6.462 1.00 25.00 H new ATOM 0 HB2 ARG A 300 2.026 3.436 -6.854 1.00 25.00 H new ATOM 0 HB3 ARG A 300 1.187 4.312 -8.118 1.00 25.00 H new ATOM 0 HG2 ARG A 300 1.259 5.298 -5.267 1.00 25.00 H new ATOM 0 HG3 ARG A 300 2.546 5.648 -6.404 1.00 25.00 H new ATOM 0 HD2 ARG A 300 -0.313 6.323 -7.127 1.00 25.00 H new ATOM 0 HD3 ARG A 300 0.585 7.374 -6.050 1.00 25.00 H new ATOM 0 HE ARG A 300 2.106 6.738 -8.459 1.00 25.00 H new ATOM 0 HH11 ARG A 300 -0.435 8.888 -7.230 1.00 25.00 H new ATOM 0 HH12 ARG A 300 -0.092 10.117 -8.452 1.00 25.00 H new ATOM 0 HH21 ARG A 300 2.480 8.333 -9.935 1.00 25.00 H new ATOM 0 HH22 ARG A 300 1.510 9.809 -9.936 1.00 25.00 H new ATOM 55 N ARG A 301 -0.285 1.236 -7.715 1.00 25.00 N ATOM 56 CA ARG A 301 -0.659 0.269 -8.676 1.00 25.00 C ATOM 57 C ARG A 301 -2.136 -0.160 -8.587 1.00 25.00 C ATOM 58 O ARG A 301 -2.453 -1.331 -8.625 1.00 25.00 O ATOM 59 CB ARG A 301 0.340 -0.877 -8.430 1.00 25.00 C ATOM 60 CG ARG A 301 0.374 -1.489 -7.017 1.00 25.00 C ATOM 61 CD ARG A 301 1.371 -2.667 -7.039 1.00 25.00 C ATOM 62 NE ARG A 301 1.428 -3.423 -5.781 1.00 25.00 N ATOM 63 CZ ARG A 301 2.443 -3.419 -4.921 1.00 25.00 C ATOM 64 NH1 ARG A 301 3.535 -2.716 -5.113 1.00 25.00 N ATOM 65 NH2 ARG A 301 2.358 -4.151 -3.843 1.00 25.00 N ATOM 0 H ARG A 301 0.254 0.844 -6.943 1.00 25.00 H new ATOM 0 HA ARG A 301 -0.607 0.653 -9.695 1.00 25.00 H new ATOM 0 HB2 ARG A 301 0.120 -1.675 -9.139 1.00 25.00 H new ATOM 0 HB3 ARG A 301 1.339 -0.510 -8.664 1.00 25.00 H new ATOM 0 HG2 ARG A 301 0.680 -0.742 -6.284 1.00 25.00 H new ATOM 0 HG3 ARG A 301 -0.618 -1.833 -6.725 1.00 25.00 H new ATOM 0 HD2 ARG A 301 1.098 -3.346 -7.847 1.00 25.00 H new ATOM 0 HD3 ARG A 301 2.366 -2.284 -7.266 1.00 25.00 H new ATOM 0 HE ARG A 301 0.620 -4.000 -5.547 1.00 25.00 H new ATOM 0 HH11 ARG A 301 3.631 -2.141 -5.950 1.00 25.00 H new ATOM 0 HH12 ARG A 301 4.287 -2.745 -4.425 1.00 25.00 H new ATOM 0 HH21 ARG A 301 1.524 -4.713 -3.672 1.00 25.00 H new ATOM 0 HH22 ARG A 301 3.126 -4.161 -3.172 1.00 25.00 H new ATOM 79 N LYS A 302 -3.048 0.800 -8.488 1.00 25.00 N ATOM 80 CA LYS A 302 -4.491 0.500 -8.424 1.00 25.00 C ATOM 81 C LYS A 302 -5.031 0.105 -9.806 1.00 25.00 C ATOM 82 O LYS A 302 -6.209 -0.160 -9.972 1.00 25.00 O ATOM 83 CB LYS A 302 -5.282 1.702 -7.897 1.00 25.00 C ATOM 84 CG LYS A 302 -4.982 2.049 -6.435 1.00 25.00 C ATOM 85 CD LYS A 302 -6.026 3.016 -5.880 1.00 25.00 C ATOM 86 CE LYS A 302 -7.410 2.352 -5.860 1.00 25.00 C ATOM 87 NZ LYS A 302 -8.527 3.294 -5.474 1.00 25.00 N ATOM 0 H LYS A 302 -2.824 1.794 -8.450 1.00 25.00 H new ATOM 0 HA LYS A 302 -4.617 -0.337 -7.737 1.00 25.00 H new ATOM 0 HB2 LYS A 302 -5.062 2.570 -8.519 1.00 25.00 H new ATOM 0 HB3 LYS A 302 -6.348 1.497 -8.000 1.00 25.00 H new ATOM 0 HG2 LYS A 302 -4.969 1.138 -5.836 1.00 25.00 H new ATOM 0 HG3 LYS A 302 -3.990 2.495 -6.359 1.00 25.00 H new ATOM 0 HD2 LYS A 302 -5.748 3.323 -4.872 1.00 25.00 H new ATOM 0 HD3 LYS A 302 -6.057 3.918 -6.491 1.00 25.00 H new ATOM 0 HE2 LYS A 302 -7.620 1.938 -6.846 1.00 25.00 H new ATOM 0 HE3 LYS A 302 -7.393 1.516 -5.161 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 -9.432 2.781 -5.481 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 -8.350 3.671 -4.521 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 -8.569 4.079 -6.154 1.00 25.00 H new ATOM 101 N SER A 303 -4.133 0.066 -10.780 1.00 25.00 N ATOM 102 CA SER A 303 -4.420 -0.315 -12.167 1.00 25.00 C ATOM 103 C SER A 303 -5.128 -1.658 -12.348 1.00 25.00 C ATOM 104 O SER A 303 -5.808 -1.894 -13.331 1.00 25.00 O ATOM 105 CB SER A 303 -3.080 -0.414 -12.852 1.00 25.00 C ATOM 106 OG SER A 303 -2.207 0.583 -12.348 1.00 25.00 O ATOM 0 H SER A 303 -3.153 0.305 -10.628 1.00 25.00 H new ATOM 0 HA SER A 303 -5.099 0.433 -12.575 1.00 25.00 H new ATOM 0 HB2 SER A 303 -2.650 -1.402 -12.689 1.00 25.00 H new ATOM 0 HB3 SER A 303 -3.202 -0.293 -13.928 1.00 25.00 H new ATOM 0 HG SER A 303 -1.338 0.513 -12.795 1.00 25.00 H new ATOM 112 N GLY A 304 -4.912 -2.532 -11.382 1.00 25.00 N ATOM 113 CA GLY A 304 -5.503 -3.867 -11.349 1.00 25.00 C ATOM 114 C GLY A 304 -5.022 -4.904 -12.360 1.00 25.00 C ATOM 115 O GLY A 304 -5.101 -6.097 -12.085 1.00 25.00 O ATOM 0 H GLY A 304 -4.311 -2.335 -10.582 1.00 25.00 H new ATOM 0 HA2 GLY A 304 -5.340 -4.276 -10.352 1.00 25.00 H new ATOM 0 HA3 GLY A 304 -6.580 -3.756 -11.476 1.00 25.00 H new ATOM 119 N LYS A 305 -4.506 -4.496 -13.516 1.00 25.00 N ATOM 120 CA LYS A 305 -4.040 -5.481 -14.504 1.00 25.00 C ATOM 121 C LYS A 305 -2.755 -6.206 -14.143 1.00 25.00 C ATOM 122 O LYS A 305 -2.658 -7.419 -14.261 1.00 25.00 O ATOM 123 CB LYS A 305 -3.900 -4.888 -15.920 1.00 25.00 C ATOM 124 CG LYS A 305 -3.741 -3.354 -16.120 1.00 25.00 C ATOM 125 CD LYS A 305 -2.523 -2.707 -15.522 1.00 25.00 C ATOM 126 CE LYS A 305 -1.447 -3.297 -16.324 1.00 25.00 C ATOM 127 NZ LYS A 305 -0.685 -2.369 -17.250 1.00 25.00 N ATOM 0 H LYS A 305 -4.399 -3.520 -13.793 1.00 25.00 H new ATOM 0 HA LYS A 305 -4.838 -6.224 -14.492 1.00 25.00 H new ATOM 0 HB2 LYS A 305 -3.037 -5.364 -16.385 1.00 25.00 H new ATOM 0 HB3 LYS A 305 -4.778 -5.197 -16.487 1.00 25.00 H new ATOM 0 HG2 LYS A 305 -3.740 -3.151 -17.191 1.00 25.00 H new ATOM 0 HG3 LYS A 305 -4.622 -2.866 -15.704 1.00 25.00 H new ATOM 0 HD2 LYS A 305 -2.551 -1.621 -15.611 1.00 25.00 H new ATOM 0 HD3 LYS A 305 -2.416 -2.937 -14.462 1.00 25.00 H new ATOM 0 HE2 LYS A 305 -0.731 -3.757 -15.643 1.00 25.00 H new ATOM 0 HE3 LYS A 305 -1.875 -4.099 -16.926 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 0.045 -2.908 -17.758 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 -1.343 -1.946 -17.936 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 -0.234 -1.615 -16.693 1.00 25.00 H new ATOM 141 N TYR A 306 -1.793 -5.418 -13.712 1.00 25.00 N ATOM 142 CA TYR A 306 -0.431 -5.851 -13.329 1.00 25.00 C ATOM 143 C TYR A 306 -0.401 -7.061 -12.405 1.00 25.00 C ATOM 144 O TYR A 306 0.297 -7.972 -12.580 1.00 25.00 O ATOM 145 CB TYR A 306 0.531 -4.804 -12.802 1.00 25.00 C ATOM 146 CG TYR A 306 -0.027 -4.325 -11.731 1.00 25.00 C ATOM 147 CD1 TYR A 306 -1.099 -3.658 -11.903 1.00 25.00 C ATOM 148 CD2 TYR A 306 0.397 -4.744 -10.519 1.00 25.00 C ATOM 149 CE1 TYR A 306 -1.918 -3.566 -11.086 1.00 25.00 C ATOM 150 CE2 TYR A 306 -0.380 -4.678 -9.539 1.00 25.00 C ATOM 151 CZ TYR A 306 -1.669 -4.068 -9.729 1.00 25.00 C ATOM 152 OH TYR A 306 -2.571 -4.029 -8.701 1.00 25.00 O ATOM 0 H TYR A 306 -1.926 -4.412 -13.608 1.00 25.00 H new ATOM 0 HA TYR A 306 -0.053 -6.118 -14.316 1.00 25.00 H new ATOM 0 HB2 TYR A 306 1.503 -5.243 -12.575 1.00 25.00 H new ATOM 0 HB3 TYR A 306 0.700 -4.020 -13.540 1.00 25.00 H new ATOM 0 HD1 TYR A 306 -1.252 -3.158 -12.848 1.00 25.00 H new ATOM 0 HD2 TYR A 306 1.397 -5.132 -10.396 1.00 25.00 H new ATOM 0 HE1 TYR A 306 -2.867 -3.109 -11.325 1.00 25.00 H new ATOM 0 HE2 TYR A 306 -0.090 -5.069 -8.575 1.00 25.00 H new ATOM 0 HH TYR A 306 -2.733 -3.098 -8.443 1.00 25.00 H new ATOM 162 N LYS A 307 -1.212 -7.043 -11.413 1.00 25.00 N ATOM 163 CA LYS A 307 -1.438 -8.231 -10.588 1.00 25.00 C ATOM 164 C LYS A 307 -1.578 -9.599 -11.328 1.00 25.00 C ATOM 165 O LYS A 307 -1.067 -10.590 -10.829 1.00 25.00 O ATOM 166 CB LYS A 307 -2.638 -7.995 -9.682 1.00 25.00 C ATOM 167 CG LYS A 307 -2.631 -8.844 -8.425 1.00 25.00 C ATOM 168 CD LYS A 307 -1.496 -8.505 -7.519 1.00 25.00 C ATOM 169 CE LYS A 307 -1.376 -9.688 -6.634 1.00 25.00 C ATOM 170 NZ LYS A 307 0.061 -10.104 -6.448 1.00 25.00 N ATOM 0 H LYS A 307 -1.748 -6.223 -11.129 1.00 25.00 H new ATOM 0 HA LYS A 307 -0.513 -8.347 -10.023 1.00 25.00 H new ATOM 0 HB2 LYS A 307 -2.666 -6.943 -9.399 1.00 25.00 H new ATOM 0 HB3 LYS A 307 -3.550 -8.199 -10.242 1.00 25.00 H new ATOM 0 HG2 LYS A 307 -3.572 -8.707 -7.892 1.00 25.00 H new ATOM 0 HG3 LYS A 307 -2.571 -9.897 -8.701 1.00 25.00 H new ATOM 0 HD2 LYS A 307 -0.577 -8.331 -8.079 1.00 25.00 H new ATOM 0 HD3 LYS A 307 -1.698 -7.599 -6.948 1.00 25.00 H new ATOM 0 HE2 LYS A 307 -1.818 -9.462 -5.663 1.00 25.00 H new ATOM 0 HE3 LYS A 307 -1.943 -10.517 -7.057 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 0.099 -11.102 -6.158 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 0.576 -9.984 -7.344 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 0.501 -9.513 -5.714 1.00 25.00 H new ATOM 184 N LYS A 308 -2.221 -9.673 -12.493 1.00 25.00 N ATOM 185 CA LYS A 308 -2.219 -10.934 -13.289 1.00 25.00 C ATOM 186 C LYS A 308 -0.952 -10.993 -14.156 1.00 25.00 C ATOM 187 O LYS A 308 -0.270 -12.001 -14.250 1.00 25.00 O ATOM 188 CB LYS A 308 -3.456 -11.057 -14.177 1.00 25.00 C ATOM 189 CG LYS A 308 -4.694 -11.462 -13.391 1.00 25.00 C ATOM 190 CD LYS A 308 -5.533 -10.254 -13.027 1.00 25.00 C ATOM 191 CE LYS A 308 -6.070 -9.589 -14.288 1.00 25.00 C ATOM 192 NZ LYS A 308 -7.098 -10.450 -14.995 1.00 25.00 N ATOM 0 H LYS A 308 -2.743 -8.903 -12.912 1.00 25.00 H new ATOM 0 HA LYS A 308 -2.235 -11.768 -12.587 1.00 25.00 H new ATOM 0 HB2 LYS A 308 -3.640 -10.104 -14.674 1.00 25.00 H new ATOM 0 HB3 LYS A 308 -3.268 -11.793 -14.958 1.00 25.00 H new ATOM 0 HG2 LYS A 308 -5.291 -12.158 -13.981 1.00 25.00 H new ATOM 0 HG3 LYS A 308 -4.396 -11.987 -12.484 1.00 25.00 H new ATOM 0 HD2 LYS A 308 -6.361 -10.557 -12.386 1.00 25.00 H new ATOM 0 HD3 LYS A 308 -4.933 -9.543 -12.459 1.00 25.00 H new ATOM 0 HE2 LYS A 308 -6.518 -8.630 -14.028 1.00 25.00 H new ATOM 0 HE3 LYS A 308 -5.243 -9.381 -14.967 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 -7.570 -9.891 -15.734 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 -6.626 -11.269 -15.429 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 -7.805 -10.782 -14.308 1.00 25.00 H new ATOM 206 N VAL A 309 -0.679 -9.840 -14.746 1.00 25.00 N ATOM 207 CA VAL A 309 0.514 -9.499 -15.547 1.00 25.00 C ATOM 208 C VAL A 309 1.805 -9.904 -14.804 1.00 25.00 C ATOM 209 O VAL A 309 2.823 -10.170 -15.393 1.00 25.00 O ATOM 210 CB VAL A 309 0.438 -7.953 -15.612 1.00 25.00 C ATOM 211 CG1 VAL A 309 1.735 -7.136 -15.228 1.00 25.00 C ATOM 212 CG2 VAL A 309 -0.392 -7.322 -16.704 1.00 25.00 C ATOM 0 H VAL A 309 -1.324 -9.053 -14.680 1.00 25.00 H new ATOM 0 HA VAL A 309 0.534 -9.997 -16.516 1.00 25.00 H new ATOM 0 HB VAL A 309 -0.201 -7.827 -14.738 1.00 25.00 H new ATOM 0 HG11 VAL A 309 1.533 -6.069 -15.320 1.00 25.00 H new ATOM 0 HG12 VAL A 309 2.018 -7.365 -14.201 1.00 25.00 H new ATOM 0 HG13 VAL A 309 2.549 -7.410 -15.899 1.00 25.00 H new ATOM 0 HG21 VAL A 309 -0.345 -6.237 -16.616 1.00 25.00 H new ATOM 0 HG22 VAL A 309 -0.004 -7.624 -17.677 1.00 25.00 H new ATOM 0 HG23 VAL A 309 -1.427 -7.649 -16.609 1.00 25.00 H new ATOM 222 N GLU A 310 1.734 -9.929 -13.486 1.00 25.00 N ATOM 223 CA GLU A 310 2.860 -10.165 -12.630 1.00 25.00 C ATOM 224 C GLU A 310 3.433 -11.518 -12.831 1.00 25.00 C ATOM 225 O GLU A 310 4.589 -11.651 -13.159 1.00 25.00 O ATOM 226 CB GLU A 310 2.409 -10.013 -11.175 1.00 25.00 C ATOM 227 CG GLU A 310 2.790 -8.699 -10.537 1.00 25.00 C ATOM 228 CD GLU A 310 2.035 -8.435 -9.232 1.00 25.00 C ATOM 229 OE1 GLU A 310 1.866 -9.375 -8.423 1.00 25.00 O ATOM 230 OE2 GLU A 310 1.594 -7.280 -9.009 1.00 25.00 O ATOM 0 H GLU A 310 0.863 -9.780 -12.977 1.00 25.00 H new ATOM 0 HA GLU A 310 3.636 -9.439 -12.874 1.00 25.00 H new ATOM 0 HB2 GLU A 310 1.326 -10.124 -11.130 1.00 25.00 H new ATOM 0 HB3 GLU A 310 2.837 -10.825 -10.588 1.00 25.00 H new ATOM 0 HG2 GLU A 310 3.862 -8.693 -10.339 1.00 25.00 H new ATOM 0 HG3 GLU A 310 2.591 -7.888 -11.238 1.00 25.00 H new ATOM 237 N ILE A 311 2.631 -12.543 -12.649 1.00 25.00 N ATOM 238 CA ILE A 311 3.161 -13.879 -12.768 1.00 25.00 C ATOM 239 C ILE A 311 3.520 -14.104 -14.238 1.00 25.00 C ATOM 240 O ILE A 311 4.488 -14.788 -14.576 1.00 25.00 O ATOM 241 CB ILE A 311 2.122 -14.947 -12.288 1.00 25.00 C ATOM 242 CG1 ILE A 311 1.612 -14.620 -10.861 1.00 25.00 C ATOM 243 CG2 ILE A 311 2.726 -16.370 -12.338 1.00 25.00 C ATOM 244 CD1 ILE A 311 2.697 -14.559 -9.749 1.00 25.00 C ATOM 0 H ILE A 311 1.638 -12.481 -12.424 1.00 25.00 H new ATOM 0 HA ILE A 311 4.042 -13.986 -12.135 1.00 25.00 H new ATOM 0 HB ILE A 311 1.272 -14.916 -12.970 1.00 25.00 H new ATOM 0 HG12 ILE A 311 1.096 -13.660 -10.892 1.00 25.00 H new ATOM 0 HG13 ILE A 311 0.873 -15.370 -10.580 1.00 25.00 H new ATOM 0 HG21 ILE A 311 1.983 -17.093 -11.999 1.00 25.00 H new ATOM 0 HG22 ILE A 311 3.021 -16.605 -13.361 1.00 25.00 H new ATOM 0 HG23 ILE A 311 3.600 -16.417 -11.689 1.00 25.00 H new ATOM 0 HD11 ILE A 311 2.227 -14.323 -8.794 1.00 25.00 H new ATOM 0 HD12 ILE A 311 3.200 -15.524 -9.678 1.00 25.00 H new ATOM 0 HD13 ILE A 311 3.427 -13.787 -9.994 1.00 25.00 H new ATOM 256 N LYS A 312 2.727 -13.497 -15.110 1.00 25.00 N ATOM 257 CA LYS A 312 2.781 -13.684 -16.508 1.00 25.00 C ATOM 258 C LYS A 312 4.035 -13.112 -17.131 1.00 25.00 C ATOM 259 O LYS A 312 4.528 -13.611 -18.138 1.00 25.00 O ATOM 260 CB LYS A 312 1.551 -12.936 -16.935 1.00 25.00 C ATOM 261 CG LYS A 312 1.328 -12.807 -18.312 1.00 25.00 C ATOM 262 CD LYS A 312 0.715 -14.057 -18.959 1.00 25.00 C ATOM 263 CE LYS A 312 1.484 -14.503 -20.207 1.00 25.00 C ATOM 264 NZ LYS A 312 2.745 -15.229 -19.848 1.00 25.00 N ATOM 0 H LYS A 312 2.005 -12.836 -14.824 1.00 25.00 H new ATOM 0 HA LYS A 312 2.810 -14.730 -16.813 1.00 25.00 H new ATOM 0 HB2 LYS A 312 0.685 -13.432 -16.497 1.00 25.00 H new ATOM 0 HB3 LYS A 312 1.597 -11.936 -16.505 1.00 25.00 H new ATOM 0 HG2 LYS A 312 0.667 -11.958 -18.486 1.00 25.00 H new ATOM 0 HG3 LYS A 312 2.274 -12.581 -18.804 1.00 25.00 H new ATOM 0 HD2 LYS A 312 0.702 -14.870 -18.233 1.00 25.00 H new ATOM 0 HD3 LYS A 312 -0.322 -13.853 -19.227 1.00 25.00 H new ATOM 0 HE2 LYS A 312 0.851 -15.151 -20.813 1.00 25.00 H new ATOM 0 HE3 LYS A 312 1.726 -13.632 -20.817 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 3.196 -15.590 -20.713 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 3.395 -14.577 -19.364 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 2.520 -16.025 -19.217 1.00 25.00 H new ATOM 278 N GLU A 313 4.547 -12.054 -16.539 1.00 25.00 N ATOM 279 CA GLU A 313 5.744 -11.415 -17.069 1.00 25.00 C ATOM 280 C GLU A 313 6.987 -11.511 -16.194 1.00 25.00 C ATOM 281 O GLU A 313 8.089 -11.610 -16.717 1.00 25.00 O ATOM 282 CB GLU A 313 5.451 -9.925 -17.351 1.00 25.00 C ATOM 283 CG GLU A 313 4.209 -9.650 -18.241 1.00 25.00 C ATOM 284 CD GLU A 313 3.755 -8.187 -18.204 1.00 25.00 C ATOM 285 OE1 GLU A 313 4.550 -7.302 -17.817 1.00 25.00 O ATOM 286 OE2 GLU A 313 2.578 -7.925 -18.560 1.00 25.00 O ATOM 0 H GLU A 313 4.163 -11.619 -15.700 1.00 25.00 H new ATOM 0 HA GLU A 313 5.979 -11.971 -17.977 1.00 25.00 H new ATOM 0 HB2 GLU A 313 5.316 -9.412 -16.399 1.00 25.00 H new ATOM 0 HB3 GLU A 313 6.325 -9.484 -17.830 1.00 25.00 H new ATOM 0 HG2 GLU A 313 4.438 -9.927 -19.270 1.00 25.00 H new ATOM 0 HG3 GLU A 313 3.387 -10.288 -17.915 1.00 25.00 H new ATOM 293 N LEU A 314 6.833 -11.499 -14.877 1.00 25.00 N ATOM 294 CA LEU A 314 7.981 -11.576 -13.987 1.00 25.00 C ATOM 295 C LEU A 314 8.558 -12.994 -14.036 1.00 25.00 C ATOM 296 O LEU A 314 9.740 -13.198 -13.778 1.00 25.00 O ATOM 297 CB LEU A 314 7.557 -11.185 -12.557 1.00 25.00 C ATOM 298 CG LEU A 314 8.639 -11.224 -11.479 1.00 25.00 C ATOM 299 CD1 LEU A 314 9.782 -10.245 -11.766 1.00 25.00 C ATOM 300 CD2 LEU A 314 8.013 -10.907 -10.118 1.00 25.00 C ATOM 0 H LEU A 314 5.931 -11.437 -14.405 1.00 25.00 H new ATOM 0 HA LEU A 314 8.755 -10.879 -14.306 1.00 25.00 H new ATOM 0 HB2 LEU A 314 7.147 -10.176 -12.589 1.00 25.00 H new ATOM 0 HB3 LEU A 314 6.748 -11.848 -12.250 1.00 25.00 H new ATOM 0 HG LEU A 314 9.066 -12.227 -11.474 1.00 25.00 H new ATOM 0 HD11 LEU A 314 10.525 -10.310 -10.971 1.00 25.00 H new ATOM 0 HD12 LEU A 314 10.247 -10.497 -12.719 1.00 25.00 H new ATOM 0 HD13 LEU A 314 9.388 -9.230 -11.812 1.00 25.00 H new ATOM 0 HD21 LEU A 314 8.784 -10.934 -9.348 1.00 25.00 H new ATOM 0 HD22 LEU A 314 7.564 -9.914 -10.147 1.00 25.00 H new ATOM 0 HD23 LEU A 314 7.245 -11.646 -9.890 1.00 25.00 H new ATOM 312 N GLY A 315 7.720 -13.968 -14.383 1.00 25.00 N ATOM 313 CA GLY A 315 8.183 -15.346 -14.477 1.00 25.00 C ATOM 314 C GLY A 315 7.791 -16.170 -15.694 1.00 25.00 C ATOM 315 O GLY A 315 8.548 -17.060 -16.078 1.00 25.00 O ATOM 0 H GLY A 315 6.733 -13.831 -14.600 1.00 25.00 H new ATOM 0 HA2 GLY A 315 9.272 -15.333 -14.424 1.00 25.00 H new ATOM 0 HA3 GLY A 315 7.828 -15.874 -13.592 1.00 25.00 H new ATOM 319 N GLU A 316 6.637 -15.942 -16.311 1.00 25.00 N ATOM 320 CA GLU A 316 6.214 -16.836 -17.402 1.00 25.00 C ATOM 321 C GLU A 316 6.892 -16.478 -18.712 1.00 25.00 C ATOM 322 O GLU A 316 6.971 -17.292 -19.615 1.00 25.00 O ATOM 323 CB GLU A 316 4.704 -16.849 -17.593 1.00 25.00 C ATOM 324 CG GLU A 316 3.913 -17.530 -16.495 1.00 25.00 C ATOM 325 CD GLU A 316 2.424 -17.263 -16.660 1.00 25.00 C ATOM 326 OE1 GLU A 316 1.984 -17.073 -17.820 1.00 25.00 O ATOM 327 OE2 GLU A 316 1.696 -17.218 -15.650 1.00 25.00 O ATOM 0 H GLU A 316 5.995 -15.180 -16.093 1.00 25.00 H new ATOM 0 HA GLU A 316 6.524 -17.838 -17.105 1.00 25.00 H new ATOM 0 HB2 GLU A 316 4.358 -15.819 -17.681 1.00 25.00 H new ATOM 0 HB3 GLU A 316 4.479 -17.343 -18.538 1.00 25.00 H new ATOM 0 HG2 GLU A 316 4.100 -18.604 -16.518 1.00 25.00 H new ATOM 0 HG3 GLU A 316 4.247 -17.169 -15.522 1.00 25.00 H new ATOM 334 N LEU A 317 7.366 -15.246 -18.811 1.00 25.00 N ATOM 335 CA LEU A 317 7.972 -14.731 -20.040 1.00 25.00 C ATOM 336 C LEU A 317 9.140 -15.585 -20.564 1.00 25.00 C ATOM 337 O LEU A 317 9.380 -15.647 -21.764 1.00 25.00 O ATOM 338 CB LEU A 317 8.448 -13.296 -19.779 1.00 25.00 C ATOM 339 CG LEU A 317 8.933 -12.468 -20.981 1.00 25.00 C ATOM 340 CD1 LEU A 317 7.826 -12.273 -22.023 1.00 25.00 C ATOM 341 CD2 LEU A 317 9.415 -11.107 -20.482 1.00 25.00 C ATOM 0 H LEU A 317 7.344 -14.572 -18.046 1.00 25.00 H new ATOM 0 HA LEU A 317 7.210 -14.764 -20.818 1.00 25.00 H new ATOM 0 HB2 LEU A 317 7.629 -12.753 -19.308 1.00 25.00 H new ATOM 0 HB3 LEU A 317 9.261 -13.340 -19.054 1.00 25.00 H new ATOM 0 HG LEU A 317 9.747 -13.009 -21.464 1.00 25.00 H new ATOM 0 HD11 LEU A 317 8.210 -11.683 -22.855 1.00 25.00 H new ATOM 0 HD12 LEU A 317 7.495 -13.245 -22.389 1.00 25.00 H new ATOM 0 HD13 LEU A 317 6.984 -11.752 -21.567 1.00 25.00 H new ATOM 0 HD21 LEU A 317 9.761 -10.512 -21.327 1.00 25.00 H new ATOM 0 HD22 LEU A 317 8.594 -10.590 -19.986 1.00 25.00 H new ATOM 0 HD23 LEU A 317 10.234 -11.247 -19.777 1.00 25.00 H new ATOM 353 N ARG A 318 9.858 -16.253 -19.670 1.00 25.00 N ATOM 354 CA ARG A 318 10.998 -17.085 -20.075 1.00 25.00 C ATOM 355 C ARG A 318 10.576 -18.514 -20.467 1.00 25.00 C ATOM 356 O ARG A 318 11.392 -19.297 -20.942 1.00 25.00 O ATOM 357 CB ARG A 318 12.037 -17.108 -18.932 1.00 25.00 C ATOM 358 CG ARG A 318 13.444 -17.634 -19.310 1.00 25.00 C ATOM 359 CD ARG A 318 14.173 -16.733 -20.319 1.00 25.00 C ATOM 360 NE ARG A 318 15.009 -17.528 -21.239 1.00 25.00 N ATOM 361 CZ ARG A 318 14.633 -17.965 -22.441 1.00 25.00 C ATOM 362 NH1 ARG A 318 13.460 -17.711 -22.952 1.00 25.00 N ATOM 363 NH2 ARG A 318 15.456 -18.677 -23.153 1.00 25.00 N ATOM 0 H ARG A 318 9.678 -16.240 -18.666 1.00 25.00 H new ATOM 0 HA ARG A 318 11.441 -16.644 -20.968 1.00 25.00 H new ATOM 0 HB2 ARG A 318 12.141 -16.096 -18.541 1.00 25.00 H new ATOM 0 HB3 ARG A 318 11.645 -17.724 -18.123 1.00 25.00 H new ATOM 0 HG2 ARG A 318 14.048 -17.721 -18.407 1.00 25.00 H new ATOM 0 HG3 ARG A 318 13.350 -18.636 -19.728 1.00 25.00 H new ATOM 0 HD2 ARG A 318 13.444 -16.159 -20.891 1.00 25.00 H new ATOM 0 HD3 ARG A 318 14.796 -16.015 -19.785 1.00 25.00 H new ATOM 0 HE ARG A 318 15.952 -17.763 -20.930 1.00 25.00 H new ATOM 0 HH11 ARG A 318 12.784 -17.156 -22.427 1.00 25.00 H new ATOM 0 HH12 ARG A 318 13.218 -18.068 -23.877 1.00 25.00 H new ATOM 0 HH21 ARG A 318 16.384 -18.898 -22.791 1.00 25.00 H new ATOM 0 HH22 ARG A 318 15.174 -19.014 -24.073 1.00 25.00 H new ATOM 377 N LYS A 319 9.314 -18.862 -20.262 1.00 25.00 N ATOM 378 CA LYS A 319 8.838 -20.221 -20.548 1.00 25.00 C ATOM 379 C LYS A 319 8.522 -20.441 -22.024 1.00 25.00 C ATOM 380 O LYS A 319 7.368 -20.408 -22.436 1.00 25.00 O ATOM 381 CB LYS A 319 7.597 -20.542 -19.714 1.00 25.00 C ATOM 382 CG LYS A 319 7.858 -20.548 -18.209 1.00 25.00 C ATOM 383 CD LYS A 319 6.625 -21.040 -17.457 1.00 25.00 C ATOM 384 CE LYS A 319 6.277 -22.473 -17.873 1.00 25.00 C ATOM 385 NZ LYS A 319 7.281 -23.478 -17.371 1.00 25.00 N ATOM 0 H LYS A 319 8.599 -18.231 -19.901 1.00 25.00 H new ATOM 0 HA LYS A 319 9.654 -20.893 -20.281 1.00 25.00 H new ATOM 0 HB2 LYS A 319 6.820 -19.811 -19.937 1.00 25.00 H new ATOM 0 HB3 LYS A 319 7.211 -21.517 -20.012 1.00 25.00 H new ATOM 0 HG2 LYS A 319 8.709 -21.190 -17.984 1.00 25.00 H new ATOM 0 HG3 LYS A 319 8.119 -19.544 -17.875 1.00 25.00 H new ATOM 0 HD2 LYS A 319 6.808 -21.001 -16.383 1.00 25.00 H new ATOM 0 HD3 LYS A 319 5.781 -20.381 -17.661 1.00 25.00 H new ATOM 0 HE2 LYS A 319 5.289 -22.729 -17.491 1.00 25.00 H new ATOM 0 HE3 LYS A 319 6.223 -22.530 -18.960 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 6.975 -24.436 -17.635 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 8.210 -23.282 -17.795 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 7.352 -23.410 -16.336 1.00 25.00 H new ATOM 399 N GLU A 320 9.558 -20.681 -22.805 1.00 25.00 N ATOM 400 CA GLU A 320 9.400 -20.990 -24.223 1.00 25.00 C ATOM 401 C GLU A 320 8.683 -22.318 -24.411 1.00 25.00 C ATOM 402 O GLU A 320 8.921 -23.269 -23.667 1.00 25.00 O ATOM 403 CB GLU A 320 10.765 -21.068 -24.897 1.00 25.00 C ATOM 404 CG GLU A 320 11.386 -19.715 -25.144 1.00 25.00 C ATOM 405 CD GLU A 320 12.716 -19.822 -25.867 1.00 25.00 C ATOM 406 OE1 GLU A 320 12.774 -20.471 -26.931 1.00 25.00 O ATOM 407 OE2 GLU A 320 13.711 -19.256 -25.355 1.00 25.00 O ATOM 0 H GLU A 320 10.526 -20.669 -22.484 1.00 25.00 H new ATOM 0 HA GLU A 320 8.807 -20.195 -24.675 1.00 25.00 H new ATOM 0 HB2 GLU A 320 11.436 -21.660 -24.275 1.00 25.00 H new ATOM 0 HB3 GLU A 320 10.664 -21.593 -25.847 1.00 25.00 H new ATOM 0 HG2 GLU A 320 10.702 -19.104 -25.733 1.00 25.00 H new ATOM 0 HG3 GLU A 320 11.531 -19.204 -24.192 1.00 25.00 H new ATOM 414 N PRO A 321 7.809 -22.409 -25.434 1.00 25.00 N ATOM 415 CA PRO A 321 7.215 -23.711 -25.747 1.00 25.00 C ATOM 416 C PRO A 321 8.199 -24.564 -26.545 1.00 25.00 C ATOM 417 O PRO A 321 7.862 -25.650 -27.007 1.00 25.00 O ATOM 418 CB PRO A 321 6.007 -23.330 -26.601 1.00 25.00 C ATOM 419 CG PRO A 321 6.476 -22.145 -27.354 1.00 25.00 C ATOM 420 CD PRO A 321 7.330 -21.370 -26.373 1.00 25.00 C ATOM 0 HA PRO A 321 6.952 -24.299 -24.867 1.00 25.00 H new ATOM 0 HB2 PRO A 321 5.716 -24.141 -27.269 1.00 25.00 H new ATOM 0 HB3 PRO A 321 5.138 -23.097 -25.986 1.00 25.00 H new ATOM 0 HG2 PRO A 321 7.051 -22.438 -28.232 1.00 25.00 H new ATOM 0 HG3 PRO A 321 5.638 -21.545 -27.707 1.00 25.00 H new ATOM 0 HD2 PRO A 321 8.159 -20.868 -26.872 1.00 25.00 H new ATOM 0 HD3 PRO A 321 6.753 -20.601 -25.860 1.00 25.00 H new ATOM 428 N SER A 322 9.410 -24.042 -26.710 1.00 25.00 N ATOM 429 CA SER A 322 10.479 -24.717 -27.452 1.00 25.00 C ATOM 430 C SER A 322 10.973 -25.973 -26.722 1.00 25.00 C ATOM 431 O SER A 322 11.853 -25.890 -25.862 1.00 25.00 O ATOM 432 CB SER A 322 11.651 -23.748 -27.640 1.00 25.00 C ATOM 433 OG SER A 322 11.196 -22.503 -28.150 1.00 25.00 O ATOM 0 H SER A 322 9.683 -23.135 -26.332 1.00 25.00 H new ATOM 0 HA SER A 322 10.077 -25.025 -28.417 1.00 25.00 H new ATOM 0 HB2 SER A 322 12.158 -23.593 -26.687 1.00 25.00 H new ATOM 0 HB3 SER A 322 12.382 -24.181 -28.323 1.00 25.00 H new ATOM 0 HG SER A 322 11.717 -21.776 -27.750 1.00 25.00 H new ATOM 439 N LEU A 323 10.396 -27.119 -27.064 1.00 25.00 N ATOM 440 CA LEU A 323 10.721 -28.405 -26.439 1.00 25.00 C ATOM 441 C LEU A 323 10.814 -29.469 -27.527 1.00 25.00 C ATOM 442 O LEU A 323 11.306 -30.584 -27.243 1.00 25.00 O ATOM 443 CB LEU A 323 9.618 -28.793 -25.439 1.00 25.00 C ATOM 444 CG LEU A 323 9.396 -27.857 -24.239 1.00 25.00 C ATOM 445 CD1 LEU A 323 8.132 -28.282 -23.497 1.00 25.00 C ATOM 446 CD2 LEU A 323 10.589 -27.882 -23.284 1.00 25.00 C ATOM 447 OXT LEU A 323 10.374 -29.168 -28.658 1.00 25.00 O ATOM 0 H LEU A 323 9.682 -27.187 -27.789 1.00 25.00 H new ATOM 0 HA LEU A 323 11.670 -28.326 -25.909 1.00 25.00 H new ATOM 0 HB2 LEU A 323 8.678 -28.870 -25.986 1.00 25.00 H new ATOM 0 HB3 LEU A 323 9.845 -29.787 -25.054 1.00 25.00 H new ATOM 0 HG LEU A 323 9.287 -26.839 -24.612 1.00 25.00 H new ATOM 0 HD11 LEU A 323 7.971 -27.621 -22.645 1.00 25.00 H new ATOM 0 HD12 LEU A 323 7.277 -28.222 -24.170 1.00 25.00 H new ATOM 0 HD13 LEU A 323 8.244 -29.307 -23.145 1.00 25.00 H new ATOM 0 HD21 LEU A 323 10.399 -27.210 -22.447 1.00 25.00 H new ATOM 0 HD22 LEU A 323 10.734 -28.895 -22.910 1.00 25.00 H new ATOM 0 HD23 LEU A 323 11.485 -27.559 -23.813 1.00 25.00 H new TER 459 LEU A 323