USER MOD reduce.3.24.130724 H: found=0, std=0, add=237, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 240 hydrogens (4 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 NoAdj-H: A 303 SEP H2 : A 303 SEP N : A 302 LYS C :(H bumps) USER MOD Single : A 298 THR OG1 : rot 35:sc= 0.608 USER MOD Single : A 299 ASN : amide:sc= 0.734 K(o=0.73,f=-7.5!) USER MOD Single : A 302 LYS NZ :NH3+ -142:sc= -0.399 (180deg=-1.26!) USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 TYR OH : rot -165:sc= 0.613 USER MOD Single : A 307 LYS NZ :NH3+ -135:sc= 0.35 (180deg=0.0701) USER MOD Single : A 308 LYS NZ :NH3+ 176:sc= 0.833 (180deg=0.742) USER MOD Single : A 312 LYS NZ :NH3+ -179:sc= 0.652 (180deg=0.632) USER MOD Single : A 319 LYS NZ :NH3+ 165:sc= 0.159 (180deg=-0.00439) USER MOD Single : A 322 SER OG : rot -110:sc= -0.0601 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 23.712 -15.498 11.538 1.00 25.00 N ATOM 2 CA THR A 298 22.584 -15.461 12.508 1.00 25.00 C ATOM 3 C THR A 298 21.278 -15.274 11.770 1.00 25.00 C ATOM 4 O THR A 298 21.274 -14.655 10.726 1.00 25.00 O ATOM 5 CB THR A 298 22.784 -14.285 13.479 1.00 25.00 C ATOM 6 OG1 THR A 298 24.178 -14.149 13.745 1.00 25.00 O ATOM 7 CG2 THR A 298 22.070 -14.517 14.808 1.00 25.00 C ATOM 0 HA THR A 298 22.558 -16.400 13.061 1.00 25.00 H new ATOM 0 HB THR A 298 22.370 -13.390 13.015 1.00 25.00 H new ATOM 0 HG1 THR A 298 24.688 -14.376 12.940 1.00 25.00 H new ATOM 0 HG21 THR A 298 22.237 -13.663 15.465 1.00 25.00 H new ATOM 0 HG22 THR A 298 21.001 -14.635 14.631 1.00 25.00 H new ATOM 0 HG23 THR A 298 22.462 -15.419 15.279 1.00 25.00 H new ATOM 17 N ASN A 299 20.173 -15.809 12.284 1.00 25.00 N ATOM 18 CA ASN A 299 18.876 -15.688 11.604 1.00 25.00 C ATOM 19 C ASN A 299 18.073 -14.476 12.086 1.00 25.00 C ATOM 20 O ASN A 299 16.881 -14.401 11.852 1.00 25.00 O ATOM 21 CB ASN A 299 18.040 -16.958 11.802 1.00 25.00 C ATOM 22 CG ASN A 299 17.502 -17.085 13.203 1.00 25.00 C ATOM 23 OD1 ASN A 299 18.255 -17.012 14.169 1.00 25.00 O ATOM 24 ND2 ASN A 299 16.218 -17.265 13.328 1.00 25.00 N ATOM 0 H ASN A 299 20.144 -16.328 13.162 1.00 25.00 H new ATOM 0 HA ASN A 299 19.094 -15.549 10.545 1.00 25.00 H new ATOM 0 HB2 ASN A 299 17.209 -16.955 11.097 1.00 25.00 H new ATOM 0 HB3 ASN A 299 18.651 -17.830 11.571 1.00 25.00 H new ATOM 0 HD21 ASN A 299 15.803 -17.351 14.256 1.00 25.00 H new ATOM 0 HD22 ASN A 299 15.628 -17.320 12.498 1.00 25.00 H new ATOM 31 N ARG A 300 18.738 -13.537 12.750 1.00 25.00 N ATOM 32 CA ARG A 300 18.129 -12.283 13.164 1.00 25.00 C ATOM 33 C ARG A 300 19.228 -11.231 13.175 1.00 25.00 C ATOM 34 O ARG A 300 20.400 -11.572 13.381 1.00 25.00 O ATOM 35 CB ARG A 300 17.420 -12.359 14.513 1.00 25.00 C ATOM 36 CG ARG A 300 18.263 -12.718 15.698 1.00 25.00 C ATOM 37 CD ARG A 300 18.272 -14.199 15.883 1.00 25.00 C ATOM 38 NE ARG A 300 18.917 -14.571 17.158 1.00 25.00 N ATOM 39 CZ ARG A 300 19.048 -15.807 17.632 1.00 25.00 C ATOM 40 NH1 ARG A 300 18.626 -16.861 16.986 1.00 25.00 N ATOM 41 NH2 ARG A 300 19.620 -15.982 18.792 1.00 25.00 N ATOM 0 H ARG A 300 19.719 -13.627 13.016 1.00 25.00 H new ATOM 0 HA ARG A 300 17.340 -12.026 12.457 1.00 25.00 H new ATOM 0 HB2 ARG A 300 16.954 -11.393 14.707 1.00 25.00 H new ATOM 0 HB3 ARG A 300 16.616 -13.090 14.434 1.00 25.00 H new ATOM 0 HG2 ARG A 300 19.281 -12.354 15.555 1.00 25.00 H new ATOM 0 HG3 ARG A 300 17.874 -12.233 16.593 1.00 25.00 H new ATOM 0 HD2 ARG A 300 17.250 -14.577 15.865 1.00 25.00 H new ATOM 0 HD3 ARG A 300 18.800 -14.669 15.054 1.00 25.00 H new ATOM 0 HE ARG A 300 19.296 -13.813 17.726 1.00 25.00 H new ATOM 0 HH11 ARG A 300 18.174 -16.755 16.078 1.00 25.00 H new ATOM 0 HH12 ARG A 300 18.749 -17.790 17.390 1.00 25.00 H new ATOM 0 HH21 ARG A 300 19.958 -15.178 19.320 1.00 25.00 H new ATOM 0 HH22 ARG A 300 19.729 -16.923 19.170 1.00 25.00 H new ATOM 55 N ARG A 301 18.857 -9.983 12.942 1.00 25.00 N ATOM 56 CA ARG A 301 19.791 -8.849 12.878 1.00 25.00 C ATOM 57 C ARG A 301 19.561 -7.840 13.999 1.00 25.00 C ATOM 58 O ARG A 301 20.252 -6.833 14.086 1.00 25.00 O ATOM 59 CB ARG A 301 19.576 -8.138 11.551 1.00 25.00 C ATOM 60 CG ARG A 301 20.841 -7.539 10.969 1.00 25.00 C ATOM 61 CD ARG A 301 20.530 -6.937 9.635 1.00 25.00 C ATOM 62 NE ARG A 301 21.693 -6.238 9.058 1.00 25.00 N ATOM 63 CZ ARG A 301 21.631 -5.184 8.249 1.00 25.00 C ATOM 64 NH1 ARG A 301 20.495 -4.671 7.856 1.00 25.00 N ATOM 65 NH2 ARG A 301 22.735 -4.631 7.838 1.00 25.00 N ATOM 0 H ARG A 301 17.885 -9.715 12.788 1.00 25.00 H new ATOM 0 HA ARG A 301 20.803 -9.240 12.981 1.00 25.00 H new ATOM 0 HB2 ARG A 301 19.156 -8.844 10.835 1.00 25.00 H new ATOM 0 HB3 ARG A 301 18.839 -7.346 11.688 1.00 25.00 H new ATOM 0 HG2 ARG A 301 21.240 -6.779 11.640 1.00 25.00 H new ATOM 0 HG3 ARG A 301 21.607 -8.307 10.865 1.00 25.00 H new ATOM 0 HD2 ARG A 301 20.203 -7.720 8.952 1.00 25.00 H new ATOM 0 HD3 ARG A 301 19.701 -6.237 9.738 1.00 25.00 H new ATOM 0 HE ARG A 301 22.619 -6.591 9.298 1.00 25.00 H new ATOM 0 HH11 ARG A 301 19.615 -5.080 8.170 1.00 25.00 H new ATOM 0 HH12 ARG A 301 20.488 -3.862 7.235 1.00 25.00 H new ATOM 0 HH21 ARG A 301 23.635 -5.006 8.136 1.00 25.00 H new ATOM 0 HH22 ARG A 301 22.700 -3.822 7.217 1.00 25.00 H new ATOM 79 N LYS A 302 18.558 -8.117 14.824 1.00 25.00 N ATOM 80 CA LYS A 302 18.063 -7.194 15.864 1.00 25.00 C ATOM 81 C LYS A 302 17.465 -6.021 15.126 1.00 25.00 C ATOM 82 O LYS A 302 17.637 -4.840 15.457 1.00 25.00 O ATOM 83 CB LYS A 302 19.082 -6.830 16.955 1.00 25.00 C ATOM 84 CG LYS A 302 19.593 -8.042 17.791 1.00 25.00 C ATOM 85 CD LYS A 302 18.515 -9.134 18.130 1.00 25.00 C ATOM 86 CE LYS A 302 17.247 -8.597 18.841 1.00 25.00 C ATOM 87 NZ LYS A 302 15.976 -9.030 18.096 1.00 25.00 N ATOM 0 H LYS A 302 18.051 -9.002 14.797 1.00 25.00 H new ATOM 0 HA LYS A 302 17.304 -7.684 16.474 1.00 25.00 H new ATOM 0 HB2 LYS A 302 19.937 -6.341 16.488 1.00 25.00 H new ATOM 0 HB3 LYS A 302 18.629 -6.104 17.630 1.00 25.00 H new ATOM 0 HG2 LYS A 302 20.408 -8.518 17.247 1.00 25.00 H new ATOM 0 HG3 LYS A 302 20.010 -7.666 18.725 1.00 25.00 H new ATOM 0 HD2 LYS A 302 18.215 -9.627 17.206 1.00 25.00 H new ATOM 0 HD3 LYS A 302 18.974 -9.894 18.762 1.00 25.00 H new ATOM 0 HE2 LYS A 302 17.216 -8.966 19.866 1.00 25.00 H new ATOM 0 HE3 LYS A 302 17.289 -7.509 18.895 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 15.281 -8.256 18.116 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 16.213 -9.258 17.109 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 15.572 -9.870 18.558 1.00 25.00 H new HETATM 101 N SEP A 303 16.724 -6.459 14.120 1.00 25.00 N HETATM 102 CA SEP A 303 15.851 -5.709 13.226 1.00 25.00 C HETATM 103 CB SEP A 303 15.076 -6.762 12.391 1.00 25.00 C HETATM 104 OG SEP A 303 14.510 -7.774 13.257 1.00 25.00 O HETATM 105 C SEP A 303 14.857 -4.813 13.982 1.00 25.00 C HETATM 106 O SEP A 303 14.683 -4.939 15.209 1.00 25.00 O HETATM 107 P SEP A 303 15.255 -9.220 13.532 1.00 25.00 P HETATM 108 O1P SEP A 303 14.181 -10.204 13.418 1.00 25.00 O HETATM 109 O2P SEP A 303 16.287 -9.318 12.484 1.00 25.00 O HETATM 110 O3P SEP A 303 15.818 -9.094 14.903 1.00 25.00 O HETATM 0 HB3 SEP A 303 14.283 -6.274 11.824 1.00 25.00 H new HETATM 0 HB2 SEP A 303 15.746 -7.226 11.667 1.00 25.00 H new HETATM 0 HA SEP A 303 16.449 -5.042 12.606 1.00 25.00 H new HETATM 0 H SEP A 303 16.724 -7.479 14.096 1.00 25.00 H new ATOM 115 N GLY A 304 14.418 -3.758 13.295 1.00 25.00 N ATOM 116 CA GLY A 304 13.617 -2.701 13.901 1.00 25.00 C ATOM 117 C GLY A 304 14.527 -1.699 14.576 1.00 25.00 C ATOM 118 O GLY A 304 14.671 -0.572 14.109 1.00 25.00 O ATOM 0 H GLY A 304 14.609 -3.615 12.303 1.00 25.00 H new ATOM 0 HA2 GLY A 304 13.015 -2.205 13.140 1.00 25.00 H new ATOM 0 HA3 GLY A 304 12.925 -3.126 14.628 1.00 25.00 H new ATOM 122 N LYS A 305 15.171 -2.106 15.662 1.00 25.00 N ATOM 123 CA LYS A 305 16.088 -1.210 16.368 1.00 25.00 C ATOM 124 C LYS A 305 17.303 -0.961 15.489 1.00 25.00 C ATOM 125 O LYS A 305 17.669 0.186 15.248 1.00 25.00 O ATOM 126 CB LYS A 305 16.496 -1.789 17.729 1.00 25.00 C ATOM 127 CG LYS A 305 17.364 -0.821 18.548 1.00 25.00 C ATOM 128 CD LYS A 305 17.569 -1.277 19.998 1.00 25.00 C ATOM 129 CE LYS A 305 16.307 -1.060 20.851 1.00 25.00 C ATOM 130 NZ LYS A 305 16.559 -1.346 22.310 1.00 25.00 N ATOM 0 H LYS A 305 15.080 -3.036 16.071 1.00 25.00 H new ATOM 0 HA LYS A 305 15.585 -0.264 16.567 1.00 25.00 H new ATOM 0 HB2 LYS A 305 15.600 -2.037 18.298 1.00 25.00 H new ATOM 0 HB3 LYS A 305 17.043 -2.719 17.575 1.00 25.00 H new ATOM 0 HG2 LYS A 305 18.336 -0.717 18.065 1.00 25.00 H new ATOM 0 HG3 LYS A 305 16.899 0.165 18.546 1.00 25.00 H new ATOM 0 HD2 LYS A 305 17.840 -2.333 20.012 1.00 25.00 H new ATOM 0 HD3 LYS A 305 18.403 -0.729 20.437 1.00 25.00 H new ATOM 0 HE2 LYS A 305 15.964 -0.032 20.737 1.00 25.00 H new ATOM 0 HE3 LYS A 305 15.507 -1.705 20.487 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 15.685 -1.188 22.851 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 16.862 -2.334 22.423 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 17.304 -0.713 22.664 1.00 25.00 H new ATOM 144 N TYR A 306 17.915 -2.023 14.981 1.00 25.00 N ATOM 145 CA TYR A 306 19.037 -1.858 14.065 1.00 25.00 C ATOM 146 C TYR A 306 18.535 -1.240 12.766 1.00 25.00 C ATOM 147 O TYR A 306 19.238 -0.476 12.132 1.00 25.00 O ATOM 148 CB TYR A 306 19.734 -3.186 13.748 1.00 25.00 C ATOM 149 CG TYR A 306 20.869 -2.982 12.770 1.00 25.00 C ATOM 150 CD1 TYR A 306 22.176 -2.690 13.216 1.00 25.00 C ATOM 151 CD2 TYR A 306 20.637 -3.048 11.384 1.00 25.00 C ATOM 152 CE1 TYR A 306 23.223 -2.446 12.281 1.00 25.00 C ATOM 153 CE2 TYR A 306 21.666 -2.795 10.465 1.00 25.00 C ATOM 154 CZ TYR A 306 22.947 -2.493 10.910 1.00 25.00 C ATOM 155 OH TYR A 306 23.927 -2.240 9.983 1.00 25.00 O ATOM 0 H TYR A 306 17.660 -2.990 15.182 1.00 25.00 H new ATOM 0 HA TYR A 306 19.765 -1.210 14.552 1.00 25.00 H new ATOM 0 HB2 TYR A 306 20.117 -3.629 14.668 1.00 25.00 H new ATOM 0 HB3 TYR A 306 19.013 -3.889 13.332 1.00 25.00 H new ATOM 0 HD1 TYR A 306 22.384 -2.651 14.275 1.00 25.00 H new ATOM 0 HD2 TYR A 306 19.651 -3.298 11.022 1.00 25.00 H new ATOM 0 HE1 TYR A 306 24.222 -2.226 12.628 1.00 25.00 H new ATOM 0 HE2 TYR A 306 21.461 -2.835 9.405 1.00 25.00 H new ATOM 0 HH TYR A 306 23.516 -2.079 9.108 1.00 25.00 H new ATOM 165 N LYS A 307 17.307 -1.560 12.370 1.00 25.00 N ATOM 166 CA LYS A 307 16.774 -1.028 11.111 1.00 25.00 C ATOM 167 C LYS A 307 16.798 0.500 11.140 1.00 25.00 C ATOM 168 O LYS A 307 17.187 1.130 10.166 1.00 25.00 O ATOM 169 CB LYS A 307 15.363 -1.555 10.826 1.00 25.00 C ATOM 170 CG LYS A 307 14.882 -1.299 9.394 1.00 25.00 C ATOM 171 CD LYS A 307 14.071 -0.005 9.275 1.00 25.00 C ATOM 172 CE LYS A 307 13.624 0.237 7.841 1.00 25.00 C ATOM 173 NZ LYS A 307 14.770 0.525 6.910 1.00 25.00 N ATOM 0 H LYS A 307 16.672 -2.170 12.885 1.00 25.00 H new ATOM 0 HA LYS A 307 17.412 -1.373 10.297 1.00 25.00 H new ATOM 0 HB2 LYS A 307 15.340 -2.627 11.020 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.665 -1.090 11.522 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.743 -1.248 8.728 1.00 25.00 H new ATOM 0 HG3 LYS A 307 14.272 -2.139 9.062 1.00 25.00 H new ATOM 0 HD2 LYS A 307 13.198 -0.059 9.926 1.00 25.00 H new ATOM 0 HD3 LYS A 307 14.673 0.837 9.618 1.00 25.00 H new ATOM 0 HE2 LYS A 307 13.082 -0.638 7.482 1.00 25.00 H new ATOM 0 HE3 LYS A 307 12.926 1.074 7.820 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 14.528 1.332 6.301 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 15.620 0.752 7.465 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 14.956 -0.311 6.319 1.00 25.00 H new ATOM 187 N LYS A 308 16.400 1.093 12.258 1.00 25.00 N ATOM 188 CA LYS A 308 16.433 2.552 12.388 1.00 25.00 C ATOM 189 C LYS A 308 17.871 3.058 12.455 1.00 25.00 C ATOM 190 O LYS A 308 18.172 4.118 11.938 1.00 25.00 O ATOM 191 CB LYS A 308 15.652 3.007 13.623 1.00 25.00 C ATOM 192 CG LYS A 308 15.465 4.523 13.680 1.00 25.00 C ATOM 193 CD LYS A 308 14.601 4.943 14.859 1.00 25.00 C ATOM 194 CE LYS A 308 14.478 6.467 14.941 1.00 25.00 C ATOM 195 NZ LYS A 308 13.786 7.055 13.746 1.00 25.00 N ATOM 0 H LYS A 308 16.054 0.598 13.080 1.00 25.00 H new ATOM 0 HA LYS A 308 15.958 2.978 11.504 1.00 25.00 H new ATOM 0 HB2 LYS A 308 14.675 2.525 13.627 1.00 25.00 H new ATOM 0 HB3 LYS A 308 16.175 2.676 14.520 1.00 25.00 H new ATOM 0 HG2 LYS A 308 16.439 5.007 13.753 1.00 25.00 H new ATOM 0 HG3 LYS A 308 15.007 4.868 12.753 1.00 25.00 H new ATOM 0 HD2 LYS A 308 13.610 4.500 14.763 1.00 25.00 H new ATOM 0 HD3 LYS A 308 15.032 4.560 15.784 1.00 25.00 H new ATOM 0 HE2 LYS A 308 13.928 6.735 15.843 1.00 25.00 H new ATOM 0 HE3 LYS A 308 15.473 6.904 15.032 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 13.668 8.079 13.882 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 14.357 6.882 12.894 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 12.852 6.611 13.632 1.00 25.00 H new ATOM 209 N VAL A 309 18.761 2.300 13.075 1.00 25.00 N ATOM 210 CA VAL A 309 20.175 2.689 13.139 1.00 25.00 C ATOM 211 C VAL A 309 20.768 2.735 11.739 1.00 25.00 C ATOM 212 O VAL A 309 21.536 3.628 11.436 1.00 25.00 O ATOM 213 CB VAL A 309 20.986 1.735 14.066 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.496 1.768 13.767 1.00 25.00 C ATOM 215 CG2 VAL A 309 20.754 2.148 15.504 1.00 25.00 C ATOM 0 H VAL A 309 18.540 1.419 13.539 1.00 25.00 H new ATOM 0 HA VAL A 309 20.237 3.687 13.574 1.00 25.00 H new ATOM 0 HB VAL A 309 20.641 0.717 13.886 1.00 25.00 H new ATOM 0 HG11 VAL A 309 23.015 1.086 14.440 1.00 25.00 H new ATOM 0 HG12 VAL A 309 22.669 1.462 12.735 1.00 25.00 H new ATOM 0 HG13 VAL A 309 22.874 2.780 13.913 1.00 25.00 H new ATOM 0 HG21 VAL A 309 21.315 1.489 16.167 1.00 25.00 H new ATOM 0 HG22 VAL A 309 21.088 3.176 15.646 1.00 25.00 H new ATOM 0 HG23 VAL A 309 19.691 2.076 15.736 1.00 25.00 H new ATOM 225 N GLU A 310 20.403 1.804 10.876 1.00 25.00 N ATOM 226 CA GLU A 310 20.913 1.822 9.509 1.00 25.00 C ATOM 227 C GLU A 310 20.502 3.132 8.820 1.00 25.00 C ATOM 228 O GLU A 310 21.296 3.736 8.111 1.00 25.00 O ATOM 229 CB GLU A 310 20.421 0.587 8.747 1.00 25.00 C ATOM 230 CG GLU A 310 21.283 0.231 7.538 1.00 25.00 C ATOM 231 CD GLU A 310 21.392 -1.278 7.341 1.00 25.00 C ATOM 232 OE1 GLU A 310 20.355 -1.942 7.112 1.00 25.00 O ATOM 233 OE2 GLU A 310 22.520 -1.819 7.431 1.00 25.00 O ATOM 0 H GLU A 310 19.766 1.036 11.088 1.00 25.00 H new ATOM 0 HA GLU A 310 22.002 1.782 9.519 1.00 25.00 H new ATOM 0 HB2 GLU A 310 20.396 -0.264 9.428 1.00 25.00 H new ATOM 0 HB3 GLU A 310 19.397 0.759 8.415 1.00 25.00 H new ATOM 0 HG2 GLU A 310 20.857 0.684 6.643 1.00 25.00 H new ATOM 0 HG3 GLU A 310 22.280 0.653 7.666 1.00 25.00 H new ATOM 240 N ILE A 311 19.275 3.590 9.060 1.00 25.00 N ATOM 241 CA ILE A 311 18.810 4.876 8.513 1.00 25.00 C ATOM 242 C ILE A 311 19.597 6.012 9.194 1.00 25.00 C ATOM 243 O ILE A 311 19.967 6.993 8.561 1.00 25.00 O ATOM 244 CB ILE A 311 17.274 5.108 8.746 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.454 3.924 8.190 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.803 6.422 8.047 1.00 25.00 C ATOM 247 CD1 ILE A 311 14.959 3.967 8.563 1.00 25.00 C ATOM 0 H ILE A 311 18.584 3.098 9.626 1.00 25.00 H new ATOM 0 HA ILE A 311 18.979 4.863 7.436 1.00 25.00 H new ATOM 0 HB ILE A 311 17.111 5.190 9.821 1.00 25.00 H new ATOM 0 HG12 ILE A 311 16.547 3.909 7.104 1.00 25.00 H new ATOM 0 HG13 ILE A 311 16.883 2.993 8.559 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.736 6.564 8.220 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.353 7.269 8.456 1.00 25.00 H new ATOM 0 HG23 ILE A 311 16.990 6.351 6.975 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.452 3.102 8.135 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.854 3.949 9.648 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.512 4.880 8.170 1.00 25.00 H new ATOM 259 N LYS A 312 19.864 5.879 10.488 1.00 25.00 N ATOM 260 CA LYS A 312 20.619 6.899 11.228 1.00 25.00 C ATOM 261 C LYS A 312 22.003 7.075 10.626 1.00 25.00 C ATOM 262 O LYS A 312 22.432 8.208 10.398 1.00 25.00 O ATOM 263 CB LYS A 312 20.725 6.538 12.715 1.00 25.00 C ATOM 264 CG LYS A 312 21.183 7.699 13.611 1.00 25.00 C ATOM 265 CD LYS A 312 22.498 7.396 14.344 1.00 25.00 C ATOM 266 CE LYS A 312 23.720 7.802 13.514 1.00 25.00 C ATOM 267 NZ LYS A 312 24.999 7.345 14.145 1.00 25.00 N ATOM 0 H LYS A 312 19.573 5.080 11.050 1.00 25.00 H new ATOM 0 HA LYS A 312 20.079 7.842 11.147 1.00 25.00 H new ATOM 0 HB2 LYS A 312 19.754 6.186 13.063 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.423 5.709 12.828 1.00 25.00 H new ATOM 0 HG2 LYS A 312 21.308 8.595 13.003 1.00 25.00 H new ATOM 0 HG3 LYS A 312 20.405 7.917 14.343 1.00 25.00 H new ATOM 0 HD2 LYS A 312 22.513 7.926 15.296 1.00 25.00 H new ATOM 0 HD3 LYS A 312 22.550 6.331 14.571 1.00 25.00 H new ATOM 0 HE2 LYS A 312 23.637 7.378 12.513 1.00 25.00 H new ATOM 0 HE3 LYS A 312 23.738 8.886 13.400 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 25.803 7.654 13.562 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 25.083 7.756 15.097 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 25.000 6.307 14.215 1.00 25.00 H new ATOM 281 N GLU A 313 22.695 5.977 10.358 1.00 25.00 N ATOM 282 CA GLU A 313 24.019 6.052 9.721 1.00 25.00 C ATOM 283 C GLU A 313 23.899 6.616 8.300 1.00 25.00 C ATOM 284 O GLU A 313 24.769 7.356 7.834 1.00 25.00 O ATOM 285 CB GLU A 313 24.710 4.678 9.663 1.00 25.00 C ATOM 286 CG GLU A 313 24.869 3.939 11.006 1.00 25.00 C ATOM 287 CD GLU A 313 25.224 4.851 12.177 1.00 25.00 C ATOM 288 OE1 GLU A 313 26.132 5.704 12.054 1.00 25.00 O ATOM 289 OE2 GLU A 313 24.574 4.723 13.242 1.00 25.00 O ATOM 0 H GLU A 313 22.374 5.031 10.565 1.00 25.00 H new ATOM 0 HA GLU A 313 24.629 6.716 10.333 1.00 25.00 H new ATOM 0 HB2 GLU A 313 24.145 4.039 8.985 1.00 25.00 H new ATOM 0 HB3 GLU A 313 25.700 4.810 9.226 1.00 25.00 H new ATOM 0 HG2 GLU A 313 23.940 3.417 11.234 1.00 25.00 H new ATOM 0 HG3 GLU A 313 25.644 3.180 10.902 1.00 25.00 H new ATOM 296 N LEU A 314 22.804 6.283 7.624 1.00 25.00 N ATOM 297 CA LEU A 314 22.522 6.777 6.268 1.00 25.00 C ATOM 298 C LEU A 314 22.080 8.252 6.292 1.00 25.00 C ATOM 299 O LEU A 314 21.788 8.848 5.262 1.00 25.00 O ATOM 300 CB LEU A 314 21.447 5.889 5.618 1.00 25.00 C ATOM 301 CG LEU A 314 21.229 5.957 4.095 1.00 25.00 C ATOM 302 CD1 LEU A 314 22.523 5.697 3.309 1.00 25.00 C ATOM 303 CD2 LEU A 314 20.181 4.921 3.703 1.00 25.00 C ATOM 0 H LEU A 314 22.083 5.664 7.995 1.00 25.00 H new ATOM 0 HA LEU A 314 23.435 6.726 5.675 1.00 25.00 H new ATOM 0 HB2 LEU A 314 21.682 4.855 5.869 1.00 25.00 H new ATOM 0 HB3 LEU A 314 20.496 6.125 6.095 1.00 25.00 H new ATOM 0 HG LEU A 314 20.894 6.964 3.847 1.00 25.00 H new ATOM 0 HD11 LEU A 314 22.317 5.756 2.240 1.00 25.00 H new ATOM 0 HD12 LEU A 314 23.268 6.446 3.577 1.00 25.00 H new ATOM 0 HD13 LEU A 314 22.903 4.704 3.551 1.00 25.00 H new ATOM 0 HD21 LEU A 314 20.017 4.959 2.626 1.00 25.00 H new ATOM 0 HD22 LEU A 314 20.530 3.927 3.982 1.00 25.00 H new ATOM 0 HD23 LEU A 314 19.246 5.136 4.220 1.00 25.00 H new ATOM 315 N GLY A 315 22.081 8.844 7.478 1.00 25.00 N ATOM 316 CA GLY A 315 21.752 10.250 7.628 1.00 25.00 C ATOM 317 C GLY A 315 20.346 10.643 8.031 1.00 25.00 C ATOM 318 O GLY A 315 19.846 11.664 7.578 1.00 25.00 O ATOM 0 H GLY A 315 22.307 8.369 8.352 1.00 25.00 H new ATOM 0 HA2 GLY A 315 22.434 10.669 8.368 1.00 25.00 H new ATOM 0 HA3 GLY A 315 21.970 10.741 6.679 1.00 25.00 H new ATOM 322 N GLU A 316 19.722 9.893 8.923 1.00 25.00 N ATOM 323 CA GLU A 316 18.419 10.298 9.473 1.00 25.00 C ATOM 324 C GLU A 316 18.605 11.638 10.195 1.00 25.00 C ATOM 325 O GLU A 316 17.717 12.478 10.250 1.00 25.00 O ATOM 326 CB GLU A 316 17.905 9.252 10.467 1.00 25.00 C ATOM 327 CG GLU A 316 16.424 9.352 10.770 1.00 25.00 C ATOM 328 CD GLU A 316 15.969 8.293 11.763 1.00 25.00 C ATOM 329 OE1 GLU A 316 16.348 8.377 12.954 1.00 25.00 O ATOM 330 OE2 GLU A 316 15.217 7.373 11.370 1.00 25.00 O ATOM 0 H GLU A 316 20.082 9.010 9.285 1.00 25.00 H new ATOM 0 HA GLU A 316 17.692 10.389 8.666 1.00 25.00 H new ATOM 0 HB2 GLU A 316 18.116 8.258 10.072 1.00 25.00 H new ATOM 0 HB3 GLU A 316 18.462 9.350 11.399 1.00 25.00 H new ATOM 0 HG2 GLU A 316 16.202 10.342 11.170 1.00 25.00 H new ATOM 0 HG3 GLU A 316 15.857 9.248 9.845 1.00 25.00 H new ATOM 337 N LEU A 317 19.801 11.838 10.736 1.00 25.00 N ATOM 338 CA LEU A 317 20.147 13.077 11.440 1.00 25.00 C ATOM 339 C LEU A 317 20.294 14.246 10.463 1.00 25.00 C ATOM 340 O LEU A 317 20.139 15.415 10.832 1.00 25.00 O ATOM 341 CB LEU A 317 21.458 12.883 12.206 1.00 25.00 C ATOM 342 CG LEU A 317 21.497 11.745 13.214 1.00 25.00 C ATOM 343 CD1 LEU A 317 22.934 11.654 13.630 1.00 25.00 C ATOM 344 CD2 LEU A 317 20.598 12.029 14.394 1.00 25.00 C ATOM 0 H LEU A 317 20.557 11.154 10.702 1.00 25.00 H new ATOM 0 HA LEU A 317 19.341 13.311 12.135 1.00 25.00 H new ATOM 0 HB2 LEU A 317 22.256 12.723 11.481 1.00 25.00 H new ATOM 0 HB3 LEU A 317 21.686 13.811 12.731 1.00 25.00 H new ATOM 0 HG LEU A 317 21.135 10.808 12.790 1.00 25.00 H new ATOM 0 HD11 LEU A 317 23.051 10.853 14.360 1.00 25.00 H new ATOM 0 HD12 LEU A 317 23.553 11.443 12.758 1.00 25.00 H new ATOM 0 HD13 LEU A 317 23.245 12.599 14.075 1.00 25.00 H new ATOM 0 HD21 LEU A 317 20.647 11.198 15.097 1.00 25.00 H new ATOM 0 HD22 LEU A 317 20.926 12.943 14.889 1.00 25.00 H new ATOM 0 HD23 LEU A 317 19.572 12.152 14.048 1.00 25.00 H new ATOM 356 N ARG A 318 20.579 13.923 9.206 1.00 25.00 N ATOM 357 CA ARG A 318 20.708 14.924 8.139 1.00 25.00 C ATOM 358 C ARG A 318 19.309 15.247 7.635 1.00 25.00 C ATOM 359 O ARG A 318 19.141 16.128 6.806 1.00 25.00 O ATOM 360 CB ARG A 318 21.547 14.386 6.965 1.00 25.00 C ATOM 361 CG ARG A 318 22.919 13.828 7.352 1.00 25.00 C ATOM 362 CD ARG A 318 23.574 13.130 6.157 1.00 25.00 C ATOM 363 NE ARG A 318 24.595 12.156 6.598 1.00 25.00 N ATOM 364 CZ ARG A 318 24.844 10.984 6.014 1.00 25.00 C ATOM 365 NH1 ARG A 318 24.210 10.583 4.941 1.00 25.00 N ATOM 366 NH2 ARG A 318 25.744 10.195 6.531 1.00 25.00 N ATOM 0 H ARG A 318 20.728 12.964 8.893 1.00 25.00 H new ATOM 0 HA ARG A 318 21.207 15.808 8.535 1.00 25.00 H new ATOM 0 HB2 ARG A 318 20.981 13.601 6.463 1.00 25.00 H new ATOM 0 HB3 ARG A 318 21.689 15.189 6.242 1.00 25.00 H new ATOM 0 HG2 ARG A 318 23.560 14.636 7.704 1.00 25.00 H new ATOM 0 HG3 ARG A 318 22.812 13.124 8.177 1.00 25.00 H new ATOM 0 HD2 ARG A 318 22.812 12.620 5.568 1.00 25.00 H new ATOM 0 HD3 ARG A 318 24.034 13.873 5.506 1.00 25.00 H new ATOM 0 HE ARG A 318 25.154 12.401 7.415 1.00 25.00 H new ATOM 0 HH11 ARG A 318 23.494 11.176 4.520 1.00 25.00 H new ATOM 0 HH12 ARG A 318 24.432 9.678 4.526 1.00 25.00 H new ATOM 0 HH21 ARG A 318 26.247 10.478 7.372 1.00 25.00 H new ATOM 0 HH22 ARG A 318 25.945 9.295 6.095 1.00 25.00 H new ATOM 380 N LYS A 319 18.334 14.511 8.175 1.00 25.00 N ATOM 381 CA LYS A 319 16.899 14.597 7.852 1.00 25.00 C ATOM 382 C LYS A 319 16.622 13.983 6.490 1.00 25.00 C ATOM 383 O LYS A 319 15.676 14.358 5.813 1.00 25.00 O ATOM 384 CB LYS A 319 16.346 16.027 7.964 1.00 25.00 C ATOM 385 CG LYS A 319 16.596 16.658 9.333 1.00 25.00 C ATOM 386 CD LYS A 319 16.897 18.144 9.209 1.00 25.00 C ATOM 387 CE LYS A 319 17.530 18.677 10.490 1.00 25.00 C ATOM 388 NZ LYS A 319 18.929 18.132 10.666 1.00 25.00 N ATOM 0 H LYS A 319 18.528 13.804 8.884 1.00 25.00 H new ATOM 0 HA LYS A 319 16.363 14.016 8.602 1.00 25.00 H new ATOM 0 HB2 LYS A 319 16.803 16.649 7.194 1.00 25.00 H new ATOM 0 HB3 LYS A 319 15.274 16.013 7.767 1.00 25.00 H new ATOM 0 HG2 LYS A 319 15.722 16.513 9.968 1.00 25.00 H new ATOM 0 HG3 LYS A 319 17.431 16.155 9.821 1.00 25.00 H new ATOM 0 HD2 LYS A 319 17.569 18.315 8.368 1.00 25.00 H new ATOM 0 HD3 LYS A 319 15.977 18.690 8.998 1.00 25.00 H new ATOM 0 HE2 LYS A 319 17.561 19.766 10.460 1.00 25.00 H new ATOM 0 HE3 LYS A 319 16.916 18.399 11.347 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 19.430 18.689 11.387 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 18.879 17.138 10.969 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 19.442 18.193 9.763 1.00 25.00 H new ATOM 402 N GLU A 320 17.450 13.017 6.119 1.00 25.00 N ATOM 403 CA GLU A 320 17.259 12.268 4.884 1.00 25.00 C ATOM 404 C GLU A 320 16.498 10.989 5.266 1.00 25.00 C ATOM 405 O GLU A 320 17.029 10.139 5.991 1.00 25.00 O ATOM 406 CB GLU A 320 18.612 11.920 4.253 1.00 25.00 C ATOM 407 CG GLU A 320 18.493 11.397 2.829 1.00 25.00 C ATOM 408 CD GLU A 320 18.161 12.508 1.844 1.00 25.00 C ATOM 409 OE1 GLU A 320 19.022 13.392 1.631 1.00 25.00 O ATOM 410 OE2 GLU A 320 17.042 12.505 1.289 1.00 25.00 O ATOM 0 H GLU A 320 18.266 12.732 6.660 1.00 25.00 H new ATOM 0 HA GLU A 320 16.704 12.852 4.150 1.00 25.00 H new ATOM 0 HB2 GLU A 320 19.246 12.807 4.256 1.00 25.00 H new ATOM 0 HB3 GLU A 320 19.110 11.171 4.868 1.00 25.00 H new ATOM 0 HG2 GLU A 320 19.429 10.921 2.537 1.00 25.00 H new ATOM 0 HG3 GLU A 320 17.719 10.631 2.787 1.00 25.00 H new ATOM 417 N PRO A 321 15.236 10.845 4.824 1.00 25.00 N ATOM 418 CA PRO A 321 14.511 9.632 5.220 1.00 25.00 C ATOM 419 C PRO A 321 14.822 8.416 4.347 1.00 25.00 C ATOM 420 O PRO A 321 15.270 8.544 3.211 1.00 25.00 O ATOM 421 CB PRO A 321 13.055 10.049 5.034 1.00 25.00 C ATOM 422 CG PRO A 321 13.098 10.954 3.851 1.00 25.00 C ATOM 423 CD PRO A 321 14.394 11.726 3.989 1.00 25.00 C ATOM 0 HA PRO A 321 14.780 9.313 6.227 1.00 25.00 H new ATOM 0 HB2 PRO A 321 12.411 9.188 4.857 1.00 25.00 H new ATOM 0 HB3 PRO A 321 12.669 10.560 5.916 1.00 25.00 H new ATOM 0 HG2 PRO A 321 13.074 10.387 2.920 1.00 25.00 H new ATOM 0 HG3 PRO A 321 12.239 11.625 3.837 1.00 25.00 H new ATOM 0 HD2 PRO A 321 14.852 11.917 3.019 1.00 25.00 H new ATOM 0 HD3 PRO A 321 14.235 12.695 4.462 1.00 25.00 H new ATOM 431 N SER A 322 14.561 7.227 4.869 1.00 25.00 N ATOM 432 CA SER A 322 14.695 6.001 4.088 1.00 25.00 C ATOM 433 C SER A 322 13.629 5.027 4.558 1.00 25.00 C ATOM 434 O SER A 322 13.170 5.115 5.700 1.00 25.00 O ATOM 435 CB SER A 322 16.079 5.389 4.269 1.00 25.00 C ATOM 436 OG SER A 322 17.079 6.324 3.902 1.00 25.00 O ATOM 0 H SER A 322 14.255 7.082 5.831 1.00 25.00 H new ATOM 0 HA SER A 322 14.569 6.224 3.029 1.00 25.00 H new ATOM 0 HB2 SER A 322 16.218 5.086 5.307 1.00 25.00 H new ATOM 0 HB3 SER A 322 16.170 4.490 3.659 1.00 25.00 H new ATOM 0 HG SER A 322 17.511 6.032 3.072 1.00 25.00 H new ATOM 442 N LEU A 323 13.233 4.117 3.679 1.00 25.00 N ATOM 443 CA LEU A 323 12.225 3.108 3.999 1.00 25.00 C ATOM 444 C LEU A 323 12.909 1.909 4.636 1.00 25.00 C ATOM 445 O LEU A 323 12.215 1.074 5.243 1.00 25.00 O ATOM 446 CB LEU A 323 11.450 2.680 2.737 1.00 25.00 C ATOM 447 CG LEU A 323 12.093 1.714 1.744 1.00 25.00 C ATOM 448 CD1 LEU A 323 10.958 1.297 0.847 1.00 25.00 C ATOM 449 CD2 LEU A 323 13.204 2.362 0.938 1.00 25.00 C ATOM 450 OXT LEU A 323 14.152 1.826 4.528 1.00 25.00 O ATOM 0 H LEU A 323 13.597 4.055 2.728 1.00 25.00 H new ATOM 0 HA LEU A 323 11.505 3.533 4.698 1.00 25.00 H new ATOM 0 HB2 LEU A 323 10.513 2.231 3.067 1.00 25.00 H new ATOM 0 HB3 LEU A 323 11.194 3.587 2.189 1.00 25.00 H new ATOM 0 HG LEU A 323 12.567 0.876 2.255 1.00 25.00 H new ATOM 0 HD11 LEU A 323 11.326 0.598 0.096 1.00 25.00 H new ATOM 0 HD12 LEU A 323 10.182 0.815 1.442 1.00 25.00 H new ATOM 0 HD13 LEU A 323 10.543 2.175 0.353 1.00 25.00 H new ATOM 0 HD21 LEU A 323 13.627 1.632 0.248 1.00 25.00 H new ATOM 0 HD22 LEU A 323 12.801 3.203 0.374 1.00 25.00 H new ATOM 0 HD23 LEU A 323 13.983 2.717 1.612 1.00 25.00 H new TER 462 LEU A 323