USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=6 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 -26:sc= 0.202 USER MOD Single : A 299 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 303 SER OG : rot 160:sc=-0.00402 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 TYR OH : rot 180:sc= -0.0182 USER MOD Single : A 307 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.2) USER MOD Single : A 319 LYS NZ :NH3+ 160:sc= -0.622 (180deg=-0.747) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 3.414 10.046 -11.480 1.00 25.00 N ATOM 2 CA THR A 298 2.814 8.992 -10.615 1.00 25.00 C ATOM 3 C THR A 298 2.962 7.629 -11.266 1.00 25.00 C ATOM 4 O THR A 298 3.237 7.544 -12.458 1.00 25.00 O ATOM 5 CB THR A 298 1.315 9.278 -10.389 1.00 25.00 C ATOM 6 OG1 THR A 298 0.679 9.466 -11.653 1.00 25.00 O ATOM 7 CG2 THR A 298 1.107 10.539 -9.559 1.00 25.00 C ATOM 0 HA THR A 298 3.336 8.998 -9.658 1.00 25.00 H new ATOM 0 HB THR A 298 0.888 8.429 -9.855 1.00 25.00 H new ATOM 0 HG1 THR A 298 1.336 9.789 -12.305 1.00 25.00 H new ATOM 0 HG21 THR A 298 0.040 10.711 -9.419 1.00 25.00 H new ATOM 0 HG22 THR A 298 1.586 10.418 -8.587 1.00 25.00 H new ATOM 0 HG23 THR A 298 1.547 11.392 -10.076 1.00 25.00 H new ATOM 17 N ASN A 299 2.796 6.558 -10.498 1.00 25.00 N ATOM 18 CA ASN A 299 2.987 5.208 -11.023 1.00 25.00 C ATOM 19 C ASN A 299 1.696 4.694 -11.639 1.00 25.00 C ATOM 20 O ASN A 299 0.771 4.296 -10.935 1.00 25.00 O ATOM 21 CB ASN A 299 3.452 4.262 -9.905 1.00 25.00 C ATOM 22 CG ASN A 299 4.820 4.622 -9.380 1.00 25.00 C ATOM 23 OD1 ASN A 299 5.571 5.313 -10.036 1.00 25.00 O ATOM 24 ND2 ASN A 299 5.139 4.169 -8.200 1.00 25.00 N ATOM 0 H ASN A 299 2.531 6.596 -9.514 1.00 25.00 H new ATOM 0 HA ASN A 299 3.755 5.242 -11.796 1.00 25.00 H new ATOM 0 HB2 ASN A 299 2.733 4.290 -9.087 1.00 25.00 H new ATOM 0 HB3 ASN A 299 3.468 3.239 -10.281 1.00 25.00 H new ATOM 0 HD21 ASN A 299 6.049 4.393 -7.797 1.00 25.00 H new ATOM 0 HD22 ASN A 299 4.479 3.591 -7.680 1.00 25.00 H new ATOM 31 N ARG A 300 1.638 4.697 -12.965 1.00 25.00 N ATOM 32 CA ARG A 300 0.542 4.285 -13.728 1.00 25.00 C ATOM 33 C ARG A 300 0.175 2.818 -13.539 1.00 25.00 C ATOM 34 O ARG A 300 -0.948 2.407 -13.813 1.00 25.00 O ATOM 35 CB ARG A 300 1.091 4.550 -15.100 1.00 25.00 C ATOM 36 CG ARG A 300 0.721 5.902 -15.639 1.00 25.00 C ATOM 37 CD ARG A 300 1.044 6.046 -17.136 1.00 25.00 C ATOM 38 NE ARG A 300 2.492 6.123 -17.417 1.00 25.00 N ATOM 39 CZ ARG A 300 3.199 7.246 -17.535 1.00 25.00 C ATOM 40 NH1 ARG A 300 2.661 8.436 -17.408 1.00 25.00 N ATOM 41 NH2 ARG A 300 4.473 7.169 -17.797 1.00 25.00 N ATOM 0 H ARG A 300 2.420 5.012 -13.540 1.00 25.00 H new ATOM 0 HA ARG A 300 -0.391 4.789 -13.478 1.00 25.00 H new ATOM 0 HB2 ARG A 300 2.177 4.463 -15.072 1.00 25.00 H new ATOM 0 HB3 ARG A 300 0.727 3.783 -15.783 1.00 25.00 H new ATOM 0 HG2 ARG A 300 -0.344 6.074 -15.482 1.00 25.00 H new ATOM 0 HG3 ARG A 300 1.254 6.671 -15.080 1.00 25.00 H new ATOM 0 HD2 ARG A 300 0.621 5.198 -17.675 1.00 25.00 H new ATOM 0 HD3 ARG A 300 0.558 6.943 -17.521 1.00 25.00 H new ATOM 0 HE ARG A 300 2.993 5.242 -17.530 1.00 25.00 H new ATOM 0 HH11 ARG A 300 1.664 8.527 -17.211 1.00 25.00 H new ATOM 0 HH12 ARG A 300 3.240 9.270 -17.506 1.00 25.00 H new ATOM 0 HH21 ARG A 300 4.916 6.257 -17.909 1.00 25.00 H new ATOM 0 HH22 ARG A 300 5.027 8.020 -17.890 1.00 25.00 H new ATOM 55 N ARG A 301 1.127 2.035 -13.047 1.00 25.00 N ATOM 56 CA ARG A 301 0.936 0.629 -12.794 1.00 25.00 C ATOM 57 C ARG A 301 -0.150 0.304 -11.756 1.00 25.00 C ATOM 58 O ARG A 301 -0.548 -0.844 -11.607 1.00 25.00 O ATOM 59 CB ARG A 301 2.316 0.051 -12.457 1.00 25.00 C ATOM 60 CG ARG A 301 2.595 -0.374 -11.015 1.00 25.00 C ATOM 61 CD ARG A 301 3.797 -1.323 -10.966 1.00 25.00 C ATOM 62 NE ARG A 301 4.406 -1.405 -9.624 1.00 25.00 N ATOM 63 CZ ARG A 301 5.403 -2.220 -9.286 1.00 25.00 C ATOM 64 NH1 ARG A 301 5.928 -3.078 -10.116 1.00 25.00 N ATOM 65 NH2 ARG A 301 5.886 -2.164 -8.075 1.00 25.00 N ATOM 0 H ARG A 301 2.061 2.371 -12.813 1.00 25.00 H new ATOM 0 HA ARG A 301 0.532 0.149 -13.686 1.00 25.00 H new ATOM 0 HB2 ARG A 301 2.477 -0.817 -13.096 1.00 25.00 H new ATOM 0 HB3 ARG A 301 3.064 0.794 -12.735 1.00 25.00 H new ATOM 0 HG2 ARG A 301 2.791 0.505 -10.401 1.00 25.00 H new ATOM 0 HG3 ARG A 301 1.717 -0.866 -10.597 1.00 25.00 H new ATOM 0 HD2 ARG A 301 3.481 -2.318 -11.278 1.00 25.00 H new ATOM 0 HD3 ARG A 301 4.548 -0.988 -11.681 1.00 25.00 H new ATOM 0 HE ARG A 301 4.034 -0.790 -8.900 1.00 25.00 H new ATOM 0 HH11 ARG A 301 5.576 -3.145 -11.071 1.00 25.00 H new ATOM 0 HH12 ARG A 301 6.691 -3.682 -9.810 1.00 25.00 H new ATOM 0 HH21 ARG A 301 5.500 -1.502 -7.402 1.00 25.00 H new ATOM 0 HH22 ARG A 301 6.650 -2.782 -7.802 1.00 25.00 H new ATOM 79 N LYS A 302 -0.665 1.316 -11.066 1.00 25.00 N ATOM 80 CA LYS A 302 -1.759 1.110 -10.108 1.00 25.00 C ATOM 81 C LYS A 302 -3.085 0.703 -10.773 1.00 25.00 C ATOM 82 O LYS A 302 -4.076 0.511 -10.083 1.00 25.00 O ATOM 83 CB LYS A 302 -1.985 2.361 -9.247 1.00 25.00 C ATOM 84 CG LYS A 302 -2.610 3.564 -9.988 1.00 25.00 C ATOM 85 CD LYS A 302 -3.303 4.507 -8.998 1.00 25.00 C ATOM 86 CE LYS A 302 -4.484 3.793 -8.325 1.00 25.00 C ATOM 87 NZ LYS A 302 -5.177 4.635 -7.284 1.00 25.00 N ATOM 0 H LYS A 302 -0.349 2.283 -11.147 1.00 25.00 H new ATOM 0 HA LYS A 302 -1.441 0.279 -9.478 1.00 25.00 H new ATOM 0 HB2 LYS A 302 -2.630 2.095 -8.410 1.00 25.00 H new ATOM 0 HB3 LYS A 302 -1.028 2.671 -8.826 1.00 25.00 H new ATOM 0 HG2 LYS A 302 -1.836 4.105 -10.532 1.00 25.00 H new ATOM 0 HG3 LYS A 302 -3.330 3.210 -10.726 1.00 25.00 H new ATOM 0 HD2 LYS A 302 -2.591 4.840 -8.242 1.00 25.00 H new ATOM 0 HD3 LYS A 302 -3.655 5.398 -9.518 1.00 25.00 H new ATOM 0 HE2 LYS A 302 -5.207 3.504 -9.088 1.00 25.00 H new ATOM 0 HE3 LYS A 302 -4.127 2.874 -7.860 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 -5.963 4.096 -6.869 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 -4.500 4.891 -6.537 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 -5.547 5.500 -7.727 1.00 25.00 H new ATOM 101 N SER A 303 -3.094 0.561 -12.098 1.00 25.00 N ATOM 102 CA SER A 303 -4.278 0.095 -12.837 1.00 25.00 C ATOM 103 C SER A 303 -4.754 -1.253 -12.309 1.00 25.00 C ATOM 104 O SER A 303 -5.939 -1.548 -12.321 1.00 25.00 O ATOM 105 CB SER A 303 -3.946 -0.041 -14.314 1.00 25.00 C ATOM 106 OG SER A 303 -5.041 -0.557 -15.055 1.00 25.00 O ATOM 0 H SER A 303 -2.289 0.763 -12.691 1.00 25.00 H new ATOM 0 HA SER A 303 -5.072 0.829 -12.700 1.00 25.00 H new ATOM 0 HB2 SER A 303 -3.663 0.933 -14.714 1.00 25.00 H new ATOM 0 HB3 SER A 303 -3.084 -0.698 -14.434 1.00 25.00 H new ATOM 0 HG SER A 303 -4.926 -0.338 -16.003 1.00 25.00 H new ATOM 112 N GLY A 304 -3.821 -2.060 -11.824 1.00 25.00 N ATOM 113 CA GLY A 304 -4.197 -3.258 -11.088 1.00 25.00 C ATOM 114 C GLY A 304 -4.361 -4.582 -11.806 1.00 25.00 C ATOM 115 O GLY A 304 -4.381 -5.632 -11.165 1.00 25.00 O ATOM 0 H GLY A 304 -2.817 -1.912 -11.924 1.00 25.00 H new ATOM 0 HA2 GLY A 304 -3.449 -3.405 -10.309 1.00 25.00 H new ATOM 0 HA3 GLY A 304 -5.141 -3.045 -10.587 1.00 25.00 H new ATOM 119 N LYS A 305 -4.443 -4.567 -13.132 1.00 25.00 N ATOM 120 CA LYS A 305 -4.505 -5.816 -13.923 1.00 25.00 C ATOM 121 C LYS A 305 -3.227 -6.642 -13.707 1.00 25.00 C ATOM 122 O LYS A 305 -3.144 -7.823 -14.043 1.00 25.00 O ATOM 123 CB LYS A 305 -4.684 -5.494 -15.417 1.00 25.00 C ATOM 124 CG LYS A 305 -3.588 -4.595 -16.017 1.00 25.00 C ATOM 125 CD LYS A 305 -3.876 -4.310 -17.433 1.00 25.00 C ATOM 126 CE LYS A 305 -4.949 -3.303 -17.329 1.00 25.00 C ATOM 127 NZ LYS A 305 -5.335 -2.652 -18.635 1.00 25.00 N ATOM 0 H LYS A 305 -4.469 -3.714 -13.690 1.00 25.00 H new ATOM 0 HA LYS A 305 -5.362 -6.400 -13.588 1.00 25.00 H new ATOM 0 HB2 LYS A 305 -4.713 -6.430 -15.975 1.00 25.00 H new ATOM 0 HB3 LYS A 305 -5.650 -5.009 -15.557 1.00 25.00 H new ATOM 0 HG2 LYS A 305 -3.527 -3.662 -15.457 1.00 25.00 H new ATOM 0 HG3 LYS A 305 -2.618 -5.084 -15.928 1.00 25.00 H new ATOM 0 HD2 LYS A 305 -3.002 -3.923 -17.958 1.00 25.00 H new ATOM 0 HD3 LYS A 305 -4.202 -5.200 -17.971 1.00 25.00 H new ATOM 0 HE2 LYS A 305 -5.832 -3.777 -16.900 1.00 25.00 H new ATOM 0 HE3 LYS A 305 -4.633 -2.527 -16.632 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 -6.093 -1.960 -18.467 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 -4.508 -2.168 -19.039 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 -5.670 -3.379 -19.299 1.00 25.00 H new ATOM 141 N TYR A 306 -2.254 -5.966 -13.126 1.00 25.00 N ATOM 142 CA TYR A 306 -0.918 -6.449 -12.846 1.00 25.00 C ATOM 143 C TYR A 306 -0.857 -7.730 -12.038 1.00 25.00 C ATOM 144 O TYR A 306 0.108 -8.464 -12.176 1.00 25.00 O ATOM 145 CB TYR A 306 -0.157 -5.320 -12.149 1.00 25.00 C ATOM 146 CG TYR A 306 0.071 -4.158 -13.094 1.00 25.00 C ATOM 147 CD1 TYR A 306 -0.994 -3.318 -13.490 1.00 25.00 C ATOM 148 CD2 TYR A 306 1.348 -3.900 -13.617 1.00 25.00 C ATOM 149 CE1 TYR A 306 -0.797 -2.293 -14.397 1.00 25.00 C ATOM 150 CE2 TYR A 306 1.559 -2.860 -14.530 1.00 25.00 C ATOM 151 CZ TYR A 306 0.481 -2.067 -14.931 1.00 25.00 C ATOM 152 OH TYR A 306 0.673 -1.058 -15.839 1.00 25.00 O ATOM 0 H TYR A 306 -2.386 -5.003 -12.818 1.00 25.00 H new ATOM 0 HA TYR A 306 -0.458 -6.720 -13.796 1.00 25.00 H new ATOM 0 HB2 TYR A 306 -0.718 -4.981 -11.278 1.00 25.00 H new ATOM 0 HB3 TYR A 306 0.801 -5.692 -11.786 1.00 25.00 H new ATOM 0 HD1 TYR A 306 -1.979 -3.479 -13.077 1.00 25.00 H new ATOM 0 HD2 TYR A 306 2.182 -4.514 -13.310 1.00 25.00 H new ATOM 0 HE1 TYR A 306 -1.626 -1.667 -14.694 1.00 25.00 H new ATOM 0 HE2 TYR A 306 2.548 -2.672 -14.921 1.00 25.00 H new ATOM 0 HH TYR A 306 1.615 -1.035 -16.109 1.00 25.00 H new ATOM 162 N LYS A 307 -1.878 -8.029 -11.232 1.00 25.00 N ATOM 163 CA LYS A 307 -1.953 -9.300 -10.559 1.00 25.00 C ATOM 164 C LYS A 307 -1.643 -10.458 -11.487 1.00 25.00 C ATOM 165 O LYS A 307 -0.824 -11.274 -11.159 1.00 25.00 O ATOM 166 CB LYS A 307 -3.330 -9.464 -9.939 1.00 25.00 C ATOM 167 CG LYS A 307 -3.423 -10.589 -8.945 1.00 25.00 C ATOM 168 CD LYS A 307 -2.605 -10.307 -7.764 1.00 25.00 C ATOM 169 CE LYS A 307 -2.552 -11.623 -7.057 1.00 25.00 C ATOM 170 NZ LYS A 307 -1.334 -11.837 -6.200 1.00 25.00 N ATOM 0 H LYS A 307 -2.657 -7.400 -11.038 1.00 25.00 H new ATOM 0 HA LYS A 307 -1.195 -9.313 -9.776 1.00 25.00 H new ATOM 0 HB2 LYS A 307 -3.608 -8.533 -9.445 1.00 25.00 H new ATOM 0 HB3 LYS A 307 -4.057 -9.633 -10.733 1.00 25.00 H new ATOM 0 HG2 LYS A 307 -4.462 -10.733 -8.648 1.00 25.00 H new ATOM 0 HG3 LYS A 307 -3.092 -11.518 -9.409 1.00 25.00 H new ATOM 0 HD2 LYS A 307 -1.610 -9.958 -8.039 1.00 25.00 H new ATOM 0 HD3 LYS A 307 -3.053 -9.534 -7.140 1.00 25.00 H new ATOM 0 HE2 LYS A 307 -3.439 -11.718 -6.431 1.00 25.00 H new ATOM 0 HE3 LYS A 307 -2.599 -12.419 -7.800 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 -1.385 -12.774 -5.751 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 -0.480 -11.782 -6.791 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 -1.294 -11.103 -5.465 1.00 25.00 H new ATOM 184 N LYS A 308 -2.295 -10.514 -12.642 1.00 25.00 N ATOM 185 CA LYS A 308 -1.910 -11.464 -13.688 1.00 25.00 C ATOM 186 C LYS A 308 -0.792 -10.959 -14.606 1.00 25.00 C ATOM 187 O LYS A 308 0.127 -11.687 -14.911 1.00 25.00 O ATOM 188 CB LYS A 308 -3.120 -11.900 -14.515 1.00 25.00 C ATOM 189 CG LYS A 308 -3.979 -12.920 -13.779 1.00 25.00 C ATOM 190 CD LYS A 308 -5.138 -12.255 -13.065 1.00 25.00 C ATOM 191 CE LYS A 308 -6.082 -11.683 -14.093 1.00 25.00 C ATOM 192 NZ LYS A 308 -7.282 -11.028 -13.469 1.00 25.00 N ATOM 0 H LYS A 308 -3.088 -9.919 -12.881 1.00 25.00 H new ATOM 0 HA LYS A 308 -1.506 -12.327 -13.158 1.00 25.00 H new ATOM 0 HB2 LYS A 308 -3.725 -11.027 -14.760 1.00 25.00 H new ATOM 0 HB3 LYS A 308 -2.779 -12.327 -15.458 1.00 25.00 H new ATOM 0 HG2 LYS A 308 -4.360 -13.656 -14.487 1.00 25.00 H new ATOM 0 HG3 LYS A 308 -3.367 -13.460 -13.057 1.00 25.00 H new ATOM 0 HD2 LYS A 308 -5.658 -12.978 -12.436 1.00 25.00 H new ATOM 0 HD3 LYS A 308 -4.773 -11.466 -12.408 1.00 25.00 H new ATOM 0 HE2 LYS A 308 -5.550 -10.954 -14.704 1.00 25.00 H new ATOM 0 HE3 LYS A 308 -6.412 -12.478 -14.761 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 -7.900 -10.651 -14.216 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 -7.807 -11.728 -12.907 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 -6.971 -10.251 -12.852 1.00 25.00 H new ATOM 206 N VAL A 309 -0.905 -9.721 -15.073 1.00 25.00 N ATOM 207 CA VAL A 309 0.008 -9.197 -16.112 1.00 25.00 C ATOM 208 C VAL A 309 1.477 -9.091 -15.704 1.00 25.00 C ATOM 209 O VAL A 309 2.347 -9.612 -16.382 1.00 25.00 O ATOM 210 CB VAL A 309 -0.457 -7.785 -16.604 1.00 25.00 C ATOM 211 CG1 VAL A 309 0.509 -7.216 -17.648 1.00 25.00 C ATOM 212 CG2 VAL A 309 -1.872 -7.854 -17.194 1.00 25.00 C ATOM 0 H VAL A 309 -1.611 -9.056 -14.758 1.00 25.00 H new ATOM 0 HA VAL A 309 -0.049 -9.943 -16.905 1.00 25.00 H new ATOM 0 HB VAL A 309 -0.463 -7.123 -15.738 1.00 25.00 H new ATOM 0 HG11 VAL A 309 0.160 -6.235 -17.971 1.00 25.00 H new ATOM 0 HG12 VAL A 309 1.503 -7.121 -17.211 1.00 25.00 H new ATOM 0 HG13 VAL A 309 0.553 -7.886 -18.507 1.00 25.00 H new ATOM 0 HG21 VAL A 309 -2.175 -6.862 -17.530 1.00 25.00 H new ATOM 0 HG22 VAL A 309 -1.880 -8.541 -18.040 1.00 25.00 H new ATOM 0 HG23 VAL A 309 -2.567 -8.207 -16.432 1.00 25.00 H new ATOM 222 N GLU A 310 1.759 -8.411 -14.610 1.00 25.00 N ATOM 223 CA GLU A 310 3.133 -8.196 -14.191 1.00 25.00 C ATOM 224 C GLU A 310 3.730 -9.499 -13.712 1.00 25.00 C ATOM 225 O GLU A 310 4.909 -9.758 -13.869 1.00 25.00 O ATOM 226 CB GLU A 310 3.145 -7.185 -13.065 1.00 25.00 C ATOM 227 CG GLU A 310 4.398 -6.339 -13.020 1.00 25.00 C ATOM 228 CD GLU A 310 4.242 -5.108 -12.128 1.00 25.00 C ATOM 229 OE1 GLU A 310 3.582 -5.197 -11.069 1.00 25.00 O ATOM 230 OE2 GLU A 310 4.773 -4.031 -12.493 1.00 25.00 O ATOM 0 H GLU A 310 1.058 -7.998 -13.995 1.00 25.00 H new ATOM 0 HA GLU A 310 3.722 -7.825 -15.029 1.00 25.00 H new ATOM 0 HB2 GLU A 310 2.279 -6.531 -13.167 1.00 25.00 H new ATOM 0 HB3 GLU A 310 3.038 -7.710 -12.116 1.00 25.00 H new ATOM 0 HG2 GLU A 310 5.228 -6.944 -12.656 1.00 25.00 H new ATOM 0 HG3 GLU A 310 4.654 -6.021 -14.031 1.00 25.00 H new ATOM 237 N ILE A 311 2.881 -10.331 -13.132 1.00 25.00 N ATOM 238 CA ILE A 311 3.289 -11.646 -12.656 1.00 25.00 C ATOM 239 C ILE A 311 3.649 -12.510 -13.857 1.00 25.00 C ATOM 240 O ILE A 311 4.495 -13.388 -13.755 1.00 25.00 O ATOM 241 CB ILE A 311 2.148 -12.265 -11.807 1.00 25.00 C ATOM 242 CG1 ILE A 311 2.474 -12.135 -10.306 1.00 25.00 C ATOM 243 CG2 ILE A 311 1.847 -13.733 -12.169 1.00 25.00 C ATOM 244 CD1 ILE A 311 2.415 -10.693 -9.762 1.00 25.00 C ATOM 0 H ILE A 311 1.896 -10.118 -12.978 1.00 25.00 H new ATOM 0 HA ILE A 311 4.168 -11.574 -12.015 1.00 25.00 H new ATOM 0 HB ILE A 311 1.244 -11.701 -12.037 1.00 25.00 H new ATOM 0 HG12 ILE A 311 1.776 -12.752 -9.741 1.00 25.00 H new ATOM 0 HG13 ILE A 311 3.471 -12.537 -10.127 1.00 25.00 H new ATOM 0 HG21 ILE A 311 1.039 -14.105 -11.538 1.00 25.00 H new ATOM 0 HG22 ILE A 311 1.549 -13.796 -13.215 1.00 25.00 H new ATOM 0 HG23 ILE A 311 2.740 -14.338 -12.009 1.00 25.00 H new ATOM 0 HD11 ILE A 311 2.658 -10.695 -8.699 1.00 25.00 H new ATOM 0 HD12 ILE A 311 3.134 -10.072 -10.297 1.00 25.00 H new ATOM 0 HD13 ILE A 311 1.412 -10.291 -9.904 1.00 25.00 H new ATOM 256 N LYS A 312 3.021 -12.243 -14.995 1.00 25.00 N ATOM 257 CA LYS A 312 3.320 -12.978 -16.222 1.00 25.00 C ATOM 258 C LYS A 312 4.682 -12.565 -16.734 1.00 25.00 C ATOM 259 O LYS A 312 5.481 -13.403 -17.068 1.00 25.00 O ATOM 260 CB LYS A 312 2.266 -12.710 -17.305 1.00 25.00 C ATOM 261 CG LYS A 312 1.333 -13.882 -17.577 1.00 25.00 C ATOM 262 CD LYS A 312 2.035 -15.031 -18.301 1.00 25.00 C ATOM 263 CE LYS A 312 2.236 -14.764 -19.794 1.00 25.00 C ATOM 264 NZ LYS A 312 2.943 -15.924 -20.444 1.00 25.00 N ATOM 0 H LYS A 312 2.303 -11.525 -15.096 1.00 25.00 H new ATOM 0 HA LYS A 312 3.310 -14.044 -15.993 1.00 25.00 H new ATOM 0 HB2 LYS A 312 1.669 -11.847 -17.009 1.00 25.00 H new ATOM 0 HB3 LYS A 312 2.774 -12.443 -18.232 1.00 25.00 H new ATOM 0 HG2 LYS A 312 0.926 -14.246 -16.633 1.00 25.00 H new ATOM 0 HG3 LYS A 312 0.490 -13.540 -18.177 1.00 25.00 H new ATOM 0 HD2 LYS A 312 3.005 -15.208 -17.836 1.00 25.00 H new ATOM 0 HD3 LYS A 312 1.451 -15.943 -18.176 1.00 25.00 H new ATOM 0 HE2 LYS A 312 1.271 -14.603 -20.274 1.00 25.00 H new ATOM 0 HE3 LYS A 312 2.817 -13.852 -19.932 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 2.982 -15.775 -21.472 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 3.910 -15.996 -20.068 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 2.426 -16.803 -20.241 1.00 25.00 H new ATOM 278 N GLU A 313 4.945 -11.269 -16.784 1.00 25.00 N ATOM 279 CA GLU A 313 6.239 -10.766 -17.267 1.00 25.00 C ATOM 280 C GLU A 313 7.366 -11.192 -16.333 1.00 25.00 C ATOM 281 O GLU A 313 8.435 -11.615 -16.768 1.00 25.00 O ATOM 282 CB GLU A 313 6.196 -9.239 -17.359 1.00 25.00 C ATOM 283 CG GLU A 313 5.168 -8.710 -18.378 1.00 25.00 C ATOM 284 CD GLU A 313 4.860 -7.222 -18.199 1.00 25.00 C ATOM 285 OE1 GLU A 313 4.213 -6.858 -17.188 1.00 25.00 O ATOM 286 OE2 GLU A 313 5.250 -6.420 -19.073 1.00 25.00 O ATOM 0 H GLU A 313 4.289 -10.542 -16.499 1.00 25.00 H new ATOM 0 HA GLU A 313 6.428 -11.187 -18.254 1.00 25.00 H new ATOM 0 HB2 GLU A 313 5.963 -8.831 -16.376 1.00 25.00 H new ATOM 0 HB3 GLU A 313 7.186 -8.872 -17.630 1.00 25.00 H new ATOM 0 HG2 GLU A 313 5.545 -8.879 -19.387 1.00 25.00 H new ATOM 0 HG3 GLU A 313 4.244 -9.281 -18.283 1.00 25.00 H new ATOM 293 N LEU A 314 7.110 -11.099 -15.038 1.00 25.00 N ATOM 294 CA LEU A 314 8.058 -11.537 -14.025 1.00 25.00 C ATOM 295 C LEU A 314 8.168 -13.062 -14.087 1.00 25.00 C ATOM 296 O LEU A 314 9.156 -13.644 -13.661 1.00 25.00 O ATOM 297 CB LEU A 314 7.569 -11.064 -12.651 1.00 25.00 C ATOM 298 CG LEU A 314 8.399 -11.474 -11.430 1.00 25.00 C ATOM 299 CD1 LEU A 314 9.836 -10.945 -11.500 1.00 25.00 C ATOM 300 CD2 LEU A 314 7.718 -10.960 -10.161 1.00 25.00 C ATOM 0 H LEU A 314 6.242 -10.719 -14.660 1.00 25.00 H new ATOM 0 HA LEU A 314 9.046 -11.111 -14.200 1.00 25.00 H new ATOM 0 HB2 LEU A 314 7.512 -9.976 -12.670 1.00 25.00 H new ATOM 0 HB3 LEU A 314 6.554 -11.434 -12.508 1.00 25.00 H new ATOM 0 HG LEU A 314 8.456 -12.562 -11.415 1.00 25.00 H new ATOM 0 HD11 LEU A 314 10.384 -11.262 -10.613 1.00 25.00 H new ATOM 0 HD12 LEU A 314 10.326 -11.340 -12.390 1.00 25.00 H new ATOM 0 HD13 LEU A 314 9.821 -9.856 -11.548 1.00 25.00 H new ATOM 0 HD21 LEU A 314 8.306 -11.250 -9.290 1.00 25.00 H new ATOM 0 HD22 LEU A 314 7.643 -9.873 -10.203 1.00 25.00 H new ATOM 0 HD23 LEU A 314 6.719 -11.390 -10.084 1.00 25.00 H new ATOM 312 N GLY A 315 7.149 -13.697 -14.635 1.00 25.00 N ATOM 313 CA GLY A 315 7.146 -15.134 -14.827 1.00 25.00 C ATOM 314 C GLY A 315 8.058 -15.567 -15.956 1.00 25.00 C ATOM 315 O GLY A 315 8.831 -16.495 -15.789 1.00 25.00 O ATOM 0 H GLY A 315 6.301 -13.231 -14.959 1.00 25.00 H new ATOM 0 HA2 GLY A 315 7.458 -15.622 -13.904 1.00 25.00 H new ATOM 0 HA3 GLY A 315 6.130 -15.468 -15.036 1.00 25.00 H new ATOM 319 N GLU A 316 7.991 -14.888 -17.096 1.00 25.00 N ATOM 320 CA GLU A 316 8.850 -15.234 -18.238 1.00 25.00 C ATOM 321 C GLU A 316 10.310 -15.147 -17.806 1.00 25.00 C ATOM 322 O GLU A 316 11.161 -15.895 -18.277 1.00 25.00 O ATOM 323 CB GLU A 316 8.642 -14.283 -19.431 1.00 25.00 C ATOM 324 CG GLU A 316 7.197 -14.053 -19.863 1.00 25.00 C ATOM 325 CD GLU A 316 6.426 -15.338 -20.132 1.00 25.00 C ATOM 326 OE1 GLU A 316 6.763 -16.066 -21.084 1.00 25.00 O ATOM 327 OE2 GLU A 316 5.451 -15.610 -19.395 1.00 25.00 O ATOM 0 H GLU A 316 7.361 -14.103 -17.260 1.00 25.00 H new ATOM 0 HA GLU A 316 8.586 -16.243 -18.554 1.00 25.00 H new ATOM 0 HB2 GLU A 316 9.083 -13.318 -19.181 1.00 25.00 H new ATOM 0 HB3 GLU A 316 9.196 -14.676 -20.283 1.00 25.00 H new ATOM 0 HG2 GLU A 316 6.681 -13.486 -19.088 1.00 25.00 H new ATOM 0 HG3 GLU A 316 7.190 -13.440 -20.764 1.00 25.00 H new ATOM 334 N LEU A 317 10.589 -14.212 -16.908 1.00 25.00 N ATOM 335 CA LEU A 317 11.946 -14.037 -16.394 1.00 25.00 C ATOM 336 C LEU A 317 12.340 -14.934 -15.200 1.00 25.00 C ATOM 337 O LEU A 317 13.374 -15.601 -15.235 1.00 25.00 O ATOM 338 CB LEU A 317 12.136 -12.571 -15.980 1.00 25.00 C ATOM 339 CG LEU A 317 11.982 -11.525 -17.099 1.00 25.00 C ATOM 340 CD1 LEU A 317 11.973 -10.125 -16.483 1.00 25.00 C ATOM 341 CD2 LEU A 317 13.111 -11.630 -18.129 1.00 25.00 C ATOM 0 H LEU A 317 9.901 -13.566 -16.521 1.00 25.00 H new ATOM 0 HA LEU A 317 12.598 -14.339 -17.214 1.00 25.00 H new ATOM 0 HB2 LEU A 317 11.417 -12.341 -15.194 1.00 25.00 H new ATOM 0 HB3 LEU A 317 13.129 -12.464 -15.545 1.00 25.00 H new ATOM 0 HG LEU A 317 11.041 -11.714 -17.616 1.00 25.00 H new ATOM 0 HD11 LEU A 317 11.864 -9.381 -17.272 1.00 25.00 H new ATOM 0 HD12 LEU A 317 11.139 -10.039 -15.786 1.00 25.00 H new ATOM 0 HD13 LEU A 317 12.909 -9.955 -15.951 1.00 25.00 H new ATOM 0 HD21 LEU A 317 12.968 -10.876 -18.903 1.00 25.00 H new ATOM 0 HD22 LEU A 317 14.069 -11.467 -17.636 1.00 25.00 H new ATOM 0 HD23 LEU A 317 13.100 -12.622 -18.582 1.00 25.00 H new ATOM 353 N ARG A 318 11.562 -14.894 -14.122 1.00 25.00 N ATOM 354 CA ARG A 318 11.921 -15.581 -12.864 1.00 25.00 C ATOM 355 C ARG A 318 11.100 -16.782 -12.359 1.00 25.00 C ATOM 356 O ARG A 318 11.680 -17.741 -11.843 1.00 25.00 O ATOM 357 CB ARG A 318 11.982 -14.524 -11.745 1.00 25.00 C ATOM 358 CG ARG A 318 12.561 -15.027 -10.410 1.00 25.00 C ATOM 359 CD ARG A 318 14.056 -15.331 -10.519 1.00 25.00 C ATOM 360 NE ARG A 318 14.556 -16.041 -9.327 1.00 25.00 N ATOM 361 CZ ARG A 318 14.869 -17.336 -9.277 1.00 25.00 C ATOM 362 NH1 ARG A 318 14.771 -18.130 -10.316 1.00 25.00 N ATOM 363 NH2 ARG A 318 15.292 -17.839 -8.150 1.00 25.00 N ATOM 0 H ARG A 318 10.674 -14.394 -14.085 1.00 25.00 H new ATOM 0 HA ARG A 318 12.866 -16.057 -13.124 1.00 25.00 H new ATOM 0 HB2 ARG A 318 12.583 -13.683 -12.091 1.00 25.00 H new ATOM 0 HB3 ARG A 318 10.976 -14.145 -11.568 1.00 25.00 H new ATOM 0 HG2 ARG A 318 12.398 -14.276 -9.637 1.00 25.00 H new ATOM 0 HG3 ARG A 318 12.029 -15.926 -10.098 1.00 25.00 H new ATOM 0 HD2 ARG A 318 14.241 -15.936 -11.407 1.00 25.00 H new ATOM 0 HD3 ARG A 318 14.608 -14.400 -10.647 1.00 25.00 H new ATOM 0 HE ARG A 318 14.672 -15.497 -8.472 1.00 25.00 H new ATOM 0 HH11 ARG A 318 14.444 -17.763 -11.210 1.00 25.00 H new ATOM 0 HH12 ARG A 318 15.022 -19.115 -10.231 1.00 25.00 H new ATOM 0 HH21 ARG A 318 15.378 -17.244 -7.326 1.00 25.00 H new ATOM 0 HH22 ARG A 318 15.536 -18.828 -8.093 1.00 25.00 H new ATOM 377 N LYS A 319 9.776 -16.696 -12.418 1.00 25.00 N ATOM 378 CA LYS A 319 8.892 -17.637 -11.691 1.00 25.00 C ATOM 379 C LYS A 319 7.755 -18.247 -12.525 1.00 25.00 C ATOM 380 O LYS A 319 7.658 -18.016 -13.700 1.00 25.00 O ATOM 381 CB LYS A 319 8.291 -16.868 -10.495 1.00 25.00 C ATOM 382 CG LYS A 319 7.985 -15.381 -10.807 1.00 25.00 C ATOM 383 CD LYS A 319 6.768 -14.876 -10.063 1.00 25.00 C ATOM 384 CE LYS A 319 5.560 -15.625 -10.566 1.00 25.00 C ATOM 385 NZ LYS A 319 4.227 -15.319 -9.955 1.00 25.00 N ATOM 0 H LYS A 319 9.278 -15.988 -12.959 1.00 25.00 H new ATOM 0 HA LYS A 319 9.507 -18.486 -11.393 1.00 25.00 H new ATOM 0 HB2 LYS A 319 7.371 -17.362 -10.181 1.00 25.00 H new ATOM 0 HB3 LYS A 319 8.984 -16.920 -9.655 1.00 25.00 H new ATOM 0 HG2 LYS A 319 8.849 -14.771 -10.542 1.00 25.00 H new ATOM 0 HG3 LYS A 319 7.828 -15.262 -11.879 1.00 25.00 H new ATOM 0 HD2 LYS A 319 6.889 -15.027 -8.990 1.00 25.00 H new ATOM 0 HD3 LYS A 319 6.644 -13.805 -10.222 1.00 25.00 H new ATOM 0 HE2 LYS A 319 5.482 -15.448 -11.639 1.00 25.00 H new ATOM 0 HE3 LYS A 319 5.750 -16.690 -10.432 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 3.471 -15.632 -10.597 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 4.139 -15.818 -9.047 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 4.145 -14.294 -9.797 1.00 25.00 H new ATOM 399 N GLU A 320 6.881 -19.007 -11.879 1.00 25.00 N ATOM 400 CA GLU A 320 5.701 -19.573 -12.544 1.00 25.00 C ATOM 401 C GLU A 320 4.819 -18.455 -13.067 1.00 25.00 C ATOM 402 O GLU A 320 4.399 -17.593 -12.304 1.00 25.00 O ATOM 403 CB GLU A 320 4.896 -20.412 -11.549 1.00 25.00 C ATOM 404 CG GLU A 320 5.439 -21.822 -11.338 1.00 25.00 C ATOM 405 CD GLU A 320 5.139 -22.755 -12.516 1.00 25.00 C ATOM 406 OE1 GLU A 320 4.434 -22.336 -13.464 1.00 25.00 O ATOM 407 OE2 GLU A 320 5.605 -23.912 -12.481 1.00 25.00 O ATOM 0 H GLU A 320 6.962 -19.250 -10.892 1.00 25.00 H new ATOM 0 HA GLU A 320 6.032 -20.200 -13.372 1.00 25.00 H new ATOM 0 HB2 GLU A 320 4.874 -19.896 -10.589 1.00 25.00 H new ATOM 0 HB3 GLU A 320 3.866 -20.480 -11.898 1.00 25.00 H new ATOM 0 HG2 GLU A 320 6.517 -21.772 -11.185 1.00 25.00 H new ATOM 0 HG3 GLU A 320 5.007 -22.241 -10.429 1.00 25.00 H new ATOM 414 N PRO A 321 4.507 -18.456 -14.377 1.00 25.00 N ATOM 415 CA PRO A 321 3.619 -17.417 -14.909 1.00 25.00 C ATOM 416 C PRO A 321 2.171 -17.620 -14.459 1.00 25.00 C ATOM 417 O PRO A 321 1.253 -16.950 -14.942 1.00 25.00 O ATOM 418 CB PRO A 321 3.770 -17.596 -16.420 1.00 25.00 C ATOM 419 CG PRO A 321 4.024 -19.025 -16.589 1.00 25.00 C ATOM 420 CD PRO A 321 4.925 -19.387 -15.447 1.00 25.00 C ATOM 0 HA PRO A 321 3.872 -16.415 -14.563 1.00 25.00 H new ATOM 0 HB2 PRO A 321 2.869 -17.286 -16.950 1.00 25.00 H new ATOM 0 HB3 PRO A 321 4.592 -16.997 -16.812 1.00 25.00 H new ATOM 0 HG2 PRO A 321 3.097 -19.598 -16.560 1.00 25.00 H new ATOM 0 HG3 PRO A 321 4.497 -19.233 -17.549 1.00 25.00 H new ATOM 0 HD2 PRO A 321 4.797 -20.427 -15.148 1.00 25.00 H new ATOM 0 HD3 PRO A 321 5.976 -19.257 -15.706 1.00 25.00 H new ATOM 428 N SER A 322 1.980 -18.540 -13.522 1.00 25.00 N ATOM 429 CA SER A 322 0.708 -18.812 -12.931 1.00 25.00 C ATOM 430 C SER A 322 0.186 -17.590 -12.209 1.00 25.00 C ATOM 431 O SER A 322 0.917 -16.754 -11.675 1.00 25.00 O ATOM 432 CB SER A 322 0.828 -19.964 -11.935 1.00 25.00 C ATOM 433 OG SER A 322 1.681 -19.602 -10.864 1.00 25.00 O ATOM 0 H SER A 322 2.732 -19.122 -13.154 1.00 25.00 H new ATOM 0 HA SER A 322 0.015 -19.084 -13.727 1.00 25.00 H new ATOM 0 HB2 SER A 322 -0.158 -20.226 -11.551 1.00 25.00 H new ATOM 0 HB3 SER A 322 1.219 -20.849 -12.437 1.00 25.00 H new ATOM 0 HG SER A 322 1.748 -20.348 -10.232 1.00 25.00 H new ATOM 439 N LEU A 323 -1.122 -17.563 -12.226 1.00 25.00 N ATOM 440 CA LEU A 323 -1.966 -16.517 -11.626 1.00 25.00 C ATOM 441 C LEU A 323 -1.691 -16.345 -10.129 1.00 25.00 C ATOM 442 O LEU A 323 -1.690 -15.179 -9.658 1.00 25.00 O ATOM 443 CB LEU A 323 -3.440 -16.902 -11.864 1.00 25.00 C ATOM 444 CG LEU A 323 -4.545 -15.933 -11.408 1.00 25.00 C ATOM 445 CD1 LEU A 323 -5.749 -16.088 -12.343 1.00 25.00 C ATOM 446 CD2 LEU A 323 -4.992 -16.202 -9.972 1.00 25.00 C ATOM 447 OXT LEU A 323 -1.496 -17.371 -9.449 1.00 25.00 O ATOM 0 H LEU A 323 -1.670 -18.296 -12.676 1.00 25.00 H new ATOM 0 HA LEU A 323 -1.737 -15.560 -12.095 1.00 25.00 H new ATOM 0 HB2 LEU A 323 -3.568 -17.068 -12.934 1.00 25.00 H new ATOM 0 HB3 LEU A 323 -3.615 -17.857 -11.369 1.00 25.00 H new ATOM 0 HG LEU A 323 -4.143 -14.921 -11.445 1.00 25.00 H new ATOM 0 HD11 LEU A 323 -6.541 -15.407 -12.032 1.00 25.00 H new ATOM 0 HD12 LEU A 323 -5.449 -15.854 -13.364 1.00 25.00 H new ATOM 0 HD13 LEU A 323 -6.114 -17.114 -12.299 1.00 25.00 H new ATOM 0 HD21 LEU A 323 -5.773 -15.493 -9.695 1.00 25.00 H new ATOM 0 HD22 LEU A 323 -5.380 -17.218 -9.896 1.00 25.00 H new ATOM 0 HD23 LEU A 323 -4.142 -16.087 -9.299 1.00 25.00 H new TER 459 LEU A 323