USER MOD reduce.3.24.130724 H: found=0, std=0, add=236, 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 NoAdj-H: A 303 SEP H : A 303 SEP N : A 302 LYS C :(H bumps) USER MOD Single : A 298 THR OG1 : rot -26:sc= 0.839 USER MOD Single : A 299 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.7!) USER MOD Single : A 302 LYS NZ :NH3+ -139:sc= -0.0681 (180deg=-0.841) USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 LYS NZ :NH3+ -166:sc= 0.737 (180deg=0.637) USER MOD Single : A 308 LYS NZ :NH3+ -108:sc= 1.38 (180deg=-0.207) USER MOD Single : A 312 LYS NZ :NH3+ -128:sc= -1.02 (180deg=-2.05!) USER MOD Single : A 319 LYS NZ :NH3+ 167:sc= 0.612 (180deg=0.448) USER MOD Single : A 322 SER OG : rot 180:sc= 0.129 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 12.452 -17.072 9.374 1.00 25.00 N ATOM 2 CA THR A 298 13.469 -17.036 10.461 1.00 25.00 C ATOM 3 C THR A 298 13.166 -15.906 11.428 1.00 25.00 C ATOM 4 O THR A 298 13.048 -14.765 11.021 1.00 25.00 O ATOM 5 CB THR A 298 14.862 -16.811 9.860 1.00 25.00 C ATOM 6 OG1 THR A 298 14.711 -16.266 8.549 1.00 25.00 O ATOM 7 CG2 THR A 298 15.627 -18.120 9.744 1.00 25.00 C ATOM 0 HA THR A 298 13.441 -17.987 10.993 1.00 25.00 H new ATOM 0 HB THR A 298 15.415 -16.134 10.512 1.00 25.00 H new ATOM 0 HG1 THR A 298 13.846 -16.540 8.178 1.00 25.00 H new ATOM 0 HG21 THR A 298 16.611 -17.930 9.315 1.00 25.00 H new ATOM 0 HG22 THR A 298 15.742 -18.563 10.733 1.00 25.00 H new ATOM 0 HG23 THR A 298 15.077 -18.807 9.101 1.00 25.00 H new ATOM 17 N ASN A 299 13.020 -16.223 12.708 1.00 25.00 N ATOM 18 CA ASN A 299 12.619 -15.223 13.707 1.00 25.00 C ATOM 19 C ASN A 299 13.798 -14.466 14.321 1.00 25.00 C ATOM 20 O ASN A 299 13.609 -13.500 15.050 1.00 25.00 O ATOM 21 CB ASN A 299 11.804 -15.894 14.827 1.00 25.00 C ATOM 22 CG ASN A 299 10.533 -16.549 14.319 1.00 25.00 C ATOM 23 OD1 ASN A 299 10.568 -17.390 13.428 1.00 25.00 O ATOM 24 ND2 ASN A 299 9.418 -16.178 14.881 1.00 25.00 N ATOM 0 H ASN A 299 13.171 -17.159 13.085 1.00 25.00 H new ATOM 0 HA ASN A 299 12.012 -14.489 13.177 1.00 25.00 H new ATOM 0 HB2 ASN A 299 12.422 -16.645 15.320 1.00 25.00 H new ATOM 0 HB3 ASN A 299 11.547 -15.148 15.580 1.00 25.00 H new ATOM 0 HD21 ASN A 299 8.534 -16.591 14.582 1.00 25.00 H new ATOM 0 HD22 ASN A 299 9.429 -15.475 15.620 1.00 25.00 H new ATOM 31 N ARG A 300 15.020 -14.889 14.023 1.00 25.00 N ATOM 32 CA ARG A 300 16.218 -14.208 14.536 1.00 25.00 C ATOM 33 C ARG A 300 16.570 -13.080 13.556 1.00 25.00 C ATOM 34 O ARG A 300 17.611 -13.095 12.919 1.00 25.00 O ATOM 35 CB ARG A 300 17.378 -15.210 14.697 1.00 25.00 C ATOM 36 CG ARG A 300 18.553 -14.694 15.553 1.00 25.00 C ATOM 37 CD ARG A 300 18.284 -14.822 17.060 1.00 25.00 C ATOM 38 NE ARG A 300 18.419 -16.213 17.534 1.00 25.00 N ATOM 39 CZ ARG A 300 18.250 -16.620 18.790 1.00 25.00 C ATOM 40 NH1 ARG A 300 17.928 -15.795 19.757 1.00 25.00 N ATOM 41 NH2 ARG A 300 18.411 -17.881 19.080 1.00 25.00 N ATOM 0 H ARG A 300 15.215 -15.697 13.431 1.00 25.00 H new ATOM 0 HA ARG A 300 16.031 -13.785 15.523 1.00 25.00 H new ATOM 0 HB2 ARG A 300 16.992 -16.125 15.146 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.753 -15.474 13.708 1.00 25.00 H new ATOM 0 HG2 ARG A 300 19.455 -15.251 15.300 1.00 25.00 H new ATOM 0 HG3 ARG A 300 18.745 -13.649 15.309 1.00 25.00 H new ATOM 0 HD2 ARG A 300 18.979 -14.185 17.607 1.00 25.00 H new ATOM 0 HD3 ARG A 300 17.279 -14.461 17.280 1.00 25.00 H new ATOM 0 HE ARG A 300 18.662 -16.921 16.842 1.00 25.00 H new ATOM 0 HH11 ARG A 300 17.798 -14.803 19.559 1.00 25.00 H new ATOM 0 HH12 ARG A 300 17.807 -16.145 20.707 1.00 25.00 H new ATOM 0 HH21 ARG A 300 18.664 -18.544 18.348 1.00 25.00 H new ATOM 0 HH22 ARG A 300 18.284 -18.204 20.039 1.00 25.00 H new ATOM 55 N ARG A 301 15.661 -12.121 13.436 1.00 25.00 N ATOM 56 CA ARG A 301 15.786 -11.018 12.472 1.00 25.00 C ATOM 57 C ARG A 301 16.964 -10.078 12.733 1.00 25.00 C ATOM 58 O ARG A 301 17.569 -9.589 11.797 1.00 25.00 O ATOM 59 CB ARG A 301 14.492 -10.188 12.471 1.00 25.00 C ATOM 60 CG ARG A 301 13.211 -10.965 12.104 1.00 25.00 C ATOM 61 CD ARG A 301 13.110 -11.283 10.610 1.00 25.00 C ATOM 62 NE ARG A 301 12.926 -10.060 9.813 1.00 25.00 N ATOM 63 CZ ARG A 301 12.700 -10.008 8.508 1.00 25.00 C ATOM 64 NH1 ARG A 301 12.592 -11.086 7.768 1.00 25.00 N ATOM 65 NH2 ARG A 301 12.575 -8.850 7.940 1.00 25.00 N ATOM 0 H ARG A 301 14.813 -12.079 14.001 1.00 25.00 H new ATOM 0 HA ARG A 301 15.969 -11.490 11.507 1.00 25.00 H new ATOM 0 HB2 ARG A 301 14.360 -9.749 13.460 1.00 25.00 H new ATOM 0 HB3 ARG A 301 14.610 -9.362 11.769 1.00 25.00 H new ATOM 0 HG2 ARG A 301 13.183 -11.896 12.670 1.00 25.00 H new ATOM 0 HG3 ARG A 301 12.341 -10.382 12.405 1.00 25.00 H new ATOM 0 HD2 ARG A 301 14.013 -11.799 10.284 1.00 25.00 H new ATOM 0 HD3 ARG A 301 12.275 -11.962 10.436 1.00 25.00 H new ATOM 0 HE ARG A 301 12.977 -9.171 10.310 1.00 25.00 H new ATOM 0 HH11 ARG A 301 12.682 -12.008 8.194 1.00 25.00 H new ATOM 0 HH12 ARG A 301 12.418 -11.002 6.767 1.00 25.00 H new ATOM 0 HH21 ARG A 301 12.651 -7.998 8.496 1.00 25.00 H new ATOM 0 HH22 ARG A 301 12.401 -8.790 6.937 1.00 25.00 H new ATOM 79 N LYS A 302 17.261 -9.834 14.012 1.00 25.00 N ATOM 80 CA LYS A 302 18.341 -8.911 14.448 1.00 25.00 C ATOM 81 C LYS A 302 18.115 -7.489 13.924 1.00 25.00 C ATOM 82 O LYS A 302 19.078 -6.779 13.642 1.00 25.00 O ATOM 83 CB LYS A 302 19.729 -9.365 13.964 1.00 25.00 C ATOM 84 CG LYS A 302 20.193 -10.734 14.418 1.00 25.00 C ATOM 85 CD LYS A 302 21.430 -11.195 13.604 1.00 25.00 C ATOM 86 CE LYS A 302 22.667 -10.261 13.752 1.00 25.00 C ATOM 87 NZ LYS A 302 22.664 -9.071 12.793 1.00 25.00 N ATOM 0 H LYS A 302 16.762 -10.269 14.788 1.00 25.00 H new ATOM 0 HA LYS A 302 18.309 -8.925 15.537 1.00 25.00 H new ATOM 0 HB2 LYS A 302 19.732 -9.349 12.874 1.00 25.00 H new ATOM 0 HB3 LYS A 302 20.462 -8.630 14.295 1.00 25.00 H new ATOM 0 HG2 LYS A 302 20.441 -10.705 15.479 1.00 25.00 H new ATOM 0 HG3 LYS A 302 19.384 -11.455 14.299 1.00 25.00 H new ATOM 0 HD2 LYS A 302 21.707 -12.201 13.920 1.00 25.00 H new ATOM 0 HD3 LYS A 302 21.157 -11.256 12.550 1.00 25.00 H new ATOM 0 HE2 LYS A 302 22.709 -9.890 14.776 1.00 25.00 H new ATOM 0 HE3 LYS A 302 23.572 -10.845 13.588 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 23.624 -8.922 12.422 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 22.014 -9.263 12.004 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 22.352 -8.218 13.299 1.00 25.00 H new HETATM 101 N SEP A 303 16.847 -7.109 13.785 1.00 25.00 N HETATM 102 CA SEP A 303 16.418 -5.907 13.027 1.00 25.00 C HETATM 103 CB SEP A 303 16.012 -6.320 11.611 1.00 25.00 C HETATM 104 OG SEP A 303 14.754 -6.934 11.636 1.00 25.00 O HETATM 105 C SEP A 303 15.302 -5.133 13.779 1.00 25.00 C HETATM 106 O SEP A 303 15.180 -5.293 15.008 1.00 25.00 O HETATM 107 P SEP A 303 13.704 -6.651 10.485 1.00 25.00 P HETATM 108 O1P SEP A 303 14.395 -7.076 9.255 1.00 25.00 O HETATM 109 O2P SEP A 303 12.556 -7.493 10.843 1.00 25.00 O HETATM 110 O3P SEP A 303 13.470 -5.201 10.564 1.00 25.00 O HETATM 0 HB3 SEP A 303 15.987 -5.445 10.961 1.00 25.00 H new HETATM 0 HB2 SEP A 303 16.752 -7.004 11.196 1.00 25.00 H new HETATM 0 HA SEP A 303 17.252 -5.210 12.944 1.00 25.00 H new ATOM 115 N GLY A 304 14.840 -4.037 13.168 1.00 25.00 N ATOM 116 CA GLY A 304 13.805 -3.179 13.749 1.00 25.00 C ATOM 117 C GLY A 304 14.414 -2.042 14.531 1.00 25.00 C ATOM 118 O GLY A 304 14.400 -0.898 14.101 1.00 25.00 O ATOM 0 H GLY A 304 15.174 -3.721 12.257 1.00 25.00 H new ATOM 0 HA2 GLY A 304 13.172 -2.780 12.956 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.163 -3.770 14.402 1.00 25.00 H new ATOM 122 N LYS A 305 14.996 -2.347 15.680 1.00 25.00 N ATOM 123 CA LYS A 305 15.701 -1.311 16.442 1.00 25.00 C ATOM 124 C LYS A 305 16.920 -0.937 15.618 1.00 25.00 C ATOM 125 O LYS A 305 17.340 0.214 15.578 1.00 25.00 O ATOM 126 CB LYS A 305 16.119 -1.806 17.827 1.00 25.00 C ATOM 127 CG LYS A 305 14.943 -1.986 18.781 1.00 25.00 C ATOM 128 CD LYS A 305 15.423 -2.275 20.200 1.00 25.00 C ATOM 129 CE LYS A 305 14.237 -2.418 21.154 1.00 25.00 C ATOM 130 NZ LYS A 305 14.686 -2.606 22.580 1.00 25.00 N ATOM 0 H LYS A 305 15.000 -3.275 16.103 1.00 25.00 H new ATOM 0 HA LYS A 305 15.050 -0.454 16.613 1.00 25.00 H new ATOM 0 HB2 LYS A 305 16.643 -2.756 17.723 1.00 25.00 H new ATOM 0 HB3 LYS A 305 16.825 -1.098 18.261 1.00 25.00 H new ATOM 0 HG2 LYS A 305 14.328 -1.086 18.778 1.00 25.00 H new ATOM 0 HG3 LYS A 305 14.312 -2.804 18.434 1.00 25.00 H new ATOM 0 HD2 LYS A 305 16.016 -3.190 20.209 1.00 25.00 H new ATOM 0 HD3 LYS A 305 16.074 -1.470 20.540 1.00 25.00 H new ATOM 0 HE2 LYS A 305 13.606 -1.532 21.085 1.00 25.00 H new ATOM 0 HE3 LYS A 305 13.626 -3.268 20.850 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 13.854 -2.699 23.197 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 15.267 -3.466 22.651 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 15.248 -1.783 22.879 1.00 25.00 H new ATOM 144 N TYR A 306 17.468 -1.935 14.945 1.00 25.00 N ATOM 145 CA TYR A 306 18.626 -1.742 14.091 1.00 25.00 C ATOM 146 C TYR A 306 18.248 -1.010 12.805 1.00 25.00 C ATOM 147 O TYR A 306 19.070 -0.310 12.248 1.00 25.00 O ATOM 148 CB TYR A 306 19.267 -3.086 13.768 1.00 25.00 C ATOM 149 CG TYR A 306 19.830 -3.783 14.991 1.00 25.00 C ATOM 150 CD1 TYR A 306 19.020 -4.618 15.795 1.00 25.00 C ATOM 151 CD2 TYR A 306 21.180 -3.606 15.355 1.00 25.00 C ATOM 152 CE1 TYR A 306 19.556 -5.266 16.940 1.00 25.00 C ATOM 153 CE2 TYR A 306 21.717 -4.256 16.498 1.00 25.00 C ATOM 154 CZ TYR A 306 20.902 -5.079 17.275 1.00 25.00 C ATOM 155 OH TYR A 306 21.427 -5.713 18.374 1.00 25.00 O ATOM 0 H TYR A 306 17.125 -2.895 14.975 1.00 25.00 H new ATOM 0 HA TYR A 306 19.346 -1.124 14.628 1.00 25.00 H new ATOM 0 HB2 TYR A 306 18.526 -3.732 13.297 1.00 25.00 H new ATOM 0 HB3 TYR A 306 20.066 -2.936 13.042 1.00 25.00 H new ATOM 0 HD1 TYR A 306 17.982 -4.765 15.536 1.00 25.00 H new ATOM 0 HD2 TYR A 306 21.814 -2.968 14.757 1.00 25.00 H new ATOM 0 HE1 TYR A 306 18.928 -5.900 17.549 1.00 25.00 H new ATOM 0 HE2 TYR A 306 22.754 -4.113 16.765 1.00 25.00 H new ATOM 0 HH TYR A 306 22.374 -5.478 18.466 1.00 25.00 H new ATOM 165 N LYS A 307 17.002 -1.135 12.352 1.00 25.00 N ATOM 166 CA LYS A 307 16.574 -0.435 11.129 1.00 25.00 C ATOM 167 C LYS A 307 16.770 1.051 11.310 1.00 25.00 C ATOM 168 O LYS A 307 17.242 1.743 10.423 1.00 25.00 O ATOM 169 CB LYS A 307 15.096 -0.685 10.797 1.00 25.00 C ATOM 170 CG LYS A 307 14.811 -1.989 10.075 1.00 25.00 C ATOM 171 CD LYS A 307 15.309 -1.937 8.629 1.00 25.00 C ATOM 172 CE LYS A 307 14.750 -3.091 7.809 1.00 25.00 C ATOM 173 NZ LYS A 307 15.137 -4.413 8.388 1.00 25.00 N ATOM 0 H LYS A 307 16.280 -1.701 12.798 1.00 25.00 H new ATOM 0 HA LYS A 307 17.180 -0.822 10.309 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.523 -0.668 11.724 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.733 0.139 10.183 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.295 -2.813 10.600 1.00 25.00 H new ATOM 0 HG3 LYS A 307 13.740 -2.189 10.087 1.00 25.00 H new ATOM 0 HD2 LYS A 307 15.016 -0.990 8.175 1.00 25.00 H new ATOM 0 HD3 LYS A 307 16.398 -1.973 8.616 1.00 25.00 H new ATOM 0 HE2 LYS A 307 13.663 -3.015 7.766 1.00 25.00 H new ATOM 0 HE3 LYS A 307 15.115 -3.021 6.784 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 14.951 -5.164 7.693 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 16.149 -4.405 8.626 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 14.581 -4.591 9.248 1.00 25.00 H new ATOM 187 N LYS A 308 16.415 1.554 12.482 1.00 25.00 N ATOM 188 CA LYS A 308 16.541 2.986 12.744 1.00 25.00 C ATOM 189 C LYS A 308 18.005 3.387 12.861 1.00 25.00 C ATOM 190 O LYS A 308 18.356 4.530 12.615 1.00 25.00 O ATOM 191 CB LYS A 308 15.763 3.389 14.002 1.00 25.00 C ATOM 192 CG LYS A 308 14.310 2.850 14.079 1.00 25.00 C ATOM 193 CD LYS A 308 13.469 3.028 12.790 1.00 25.00 C ATOM 194 CE LYS A 308 13.204 4.484 12.411 1.00 25.00 C ATOM 195 NZ LYS A 308 12.388 4.522 11.153 1.00 25.00 N ATOM 0 H LYS A 308 16.043 1.006 13.258 1.00 25.00 H new ATOM 0 HA LYS A 308 16.108 3.520 11.898 1.00 25.00 H new ATOM 0 HB2 LYS A 308 16.311 3.038 14.877 1.00 25.00 H new ATOM 0 HB3 LYS A 308 15.734 4.477 14.059 1.00 25.00 H new ATOM 0 HG2 LYS A 308 14.346 1.789 14.326 1.00 25.00 H new ATOM 0 HG3 LYS A 308 13.797 3.351 14.900 1.00 25.00 H new ATOM 0 HD2 LYS A 308 13.983 2.537 11.964 1.00 25.00 H new ATOM 0 HD3 LYS A 308 12.514 2.518 12.919 1.00 25.00 H new ATOM 0 HE2 LYS A 308 12.676 4.993 13.218 1.00 25.00 H new ATOM 0 HE3 LYS A 308 14.146 5.012 12.264 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 12.983 4.844 10.363 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 12.024 3.570 10.947 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 11.591 5.179 11.276 1.00 25.00 H new ATOM 209 N VAL A 309 18.857 2.440 13.221 1.00 25.00 N ATOM 210 CA VAL A 309 20.293 2.690 13.302 1.00 25.00 C ATOM 211 C VAL A 309 20.858 2.755 11.888 1.00 25.00 C ATOM 212 O VAL A 309 21.674 3.621 11.603 1.00 25.00 O ATOM 213 CB VAL A 309 21.010 1.616 14.185 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.377 1.183 13.615 1.00 25.00 C ATOM 215 CG2 VAL A 309 21.190 2.170 15.589 1.00 25.00 C ATOM 0 H VAL A 309 18.581 1.488 13.463 1.00 25.00 H new ATOM 0 HA VAL A 309 20.474 3.646 13.793 1.00 25.00 H new ATOM 0 HB VAL A 309 20.380 0.727 14.197 1.00 25.00 H new ATOM 0 HG11 VAL A 309 22.825 0.437 14.271 1.00 25.00 H new ATOM 0 HG12 VAL A 309 22.238 0.756 12.622 1.00 25.00 H new ATOM 0 HG13 VAL A 309 23.035 2.050 13.549 1.00 25.00 H new ATOM 0 HG21 VAL A 309 21.689 1.428 16.212 1.00 25.00 H new ATOM 0 HG22 VAL A 309 21.795 3.076 15.548 1.00 25.00 H new ATOM 0 HG23 VAL A 309 20.215 2.405 16.015 1.00 25.00 H new ATOM 225 N GLU A 310 20.410 1.875 11.002 1.00 25.00 N ATOM 226 CA GLU A 310 20.846 1.898 9.606 1.00 25.00 C ATOM 227 C GLU A 310 20.388 3.209 8.964 1.00 25.00 C ATOM 228 O GLU A 310 21.150 3.870 8.269 1.00 25.00 O ATOM 229 CB GLU A 310 20.262 0.700 8.840 1.00 25.00 C ATOM 230 CG GLU A 310 21.028 -0.619 9.057 1.00 25.00 C ATOM 231 CD GLU A 310 20.203 -1.712 9.751 1.00 25.00 C ATOM 232 OE1 GLU A 310 19.048 -1.976 9.335 1.00 25.00 O ATOM 233 OE2 GLU A 310 20.725 -2.319 10.713 1.00 25.00 O ATOM 0 H GLU A 310 19.744 1.134 11.223 1.00 25.00 H new ATOM 0 HA GLU A 310 21.933 1.829 9.565 1.00 25.00 H new ATOM 0 HB2 GLU A 310 19.225 0.559 9.143 1.00 25.00 H new ATOM 0 HB3 GLU A 310 20.254 0.932 7.775 1.00 25.00 H new ATOM 0 HG2 GLU A 310 21.368 -0.993 8.091 1.00 25.00 H new ATOM 0 HG3 GLU A 310 21.918 -0.417 9.652 1.00 25.00 H new ATOM 240 N ILE A 311 19.146 3.592 9.225 1.00 25.00 N ATOM 241 CA ILE A 311 18.589 4.848 8.709 1.00 25.00 C ATOM 242 C ILE A 311 19.394 6.041 9.245 1.00 25.00 C ATOM 243 O ILE A 311 19.592 7.040 8.547 1.00 25.00 O ATOM 244 CB ILE A 311 17.056 4.945 9.077 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.197 4.555 7.859 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.643 6.353 9.568 1.00 25.00 C ATOM 247 CD1 ILE A 311 16.193 3.053 7.534 1.00 25.00 C ATOM 0 H ILE A 311 18.496 3.051 9.795 1.00 25.00 H new ATOM 0 HA ILE A 311 18.667 4.868 7.622 1.00 25.00 H new ATOM 0 HB ILE A 311 16.886 4.251 9.900 1.00 25.00 H new ATOM 0 HG12 ILE A 311 15.171 4.878 8.036 1.00 25.00 H new ATOM 0 HG13 ILE A 311 16.557 5.101 6.987 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.579 6.358 9.806 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.215 6.610 10.459 1.00 25.00 H new ATOM 0 HG23 ILE A 311 16.843 7.085 8.785 1.00 25.00 H new ATOM 0 HD11 ILE A 311 15.563 2.871 6.663 1.00 25.00 H new ATOM 0 HD12 ILE A 311 17.210 2.724 7.321 1.00 25.00 H new ATOM 0 HD13 ILE A 311 15.803 2.497 8.387 1.00 25.00 H new ATOM 259 N LYS A 312 19.874 5.932 10.477 1.00 25.00 N ATOM 260 CA LYS A 312 20.694 6.985 11.079 1.00 25.00 C ATOM 261 C LYS A 312 22.073 7.028 10.432 1.00 25.00 C ATOM 262 O LYS A 312 22.584 8.104 10.160 1.00 25.00 O ATOM 263 CB LYS A 312 20.809 6.750 12.592 1.00 25.00 C ATOM 264 CG LYS A 312 21.633 7.804 13.355 1.00 25.00 C ATOM 265 CD LYS A 312 23.098 7.381 13.609 1.00 25.00 C ATOM 266 CE LYS A 312 23.216 6.226 14.614 1.00 25.00 C ATOM 267 NZ LYS A 312 23.447 4.913 13.928 1.00 25.00 N ATOM 0 H LYS A 312 19.712 5.127 11.082 1.00 25.00 H new ATOM 0 HA LYS A 312 20.215 7.949 10.908 1.00 25.00 H new ATOM 0 HB2 LYS A 312 19.806 6.718 13.017 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.257 5.770 12.759 1.00 25.00 H new ATOM 0 HG2 LYS A 312 21.626 8.737 12.791 1.00 25.00 H new ATOM 0 HG3 LYS A 312 21.151 8.007 14.312 1.00 25.00 H new ATOM 0 HD2 LYS A 312 23.555 7.084 12.665 1.00 25.00 H new ATOM 0 HD3 LYS A 312 23.660 8.238 13.979 1.00 25.00 H new ATOM 0 HE2 LYS A 312 24.037 6.426 15.303 1.00 25.00 H new ATOM 0 HE3 LYS A 312 22.306 6.169 15.211 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 22.750 4.218 14.264 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 23.345 5.036 12.900 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 24.406 4.573 14.143 1.00 25.00 H new ATOM 281 N GLU A 313 22.665 5.868 10.186 1.00 25.00 N ATOM 282 CA GLU A 313 23.990 5.795 9.554 1.00 25.00 C ATOM 283 C GLU A 313 23.972 6.340 8.126 1.00 25.00 C ATOM 284 O GLU A 313 24.892 7.039 7.715 1.00 25.00 O ATOM 285 CB GLU A 313 24.497 4.349 9.533 1.00 25.00 C ATOM 286 CG GLU A 313 25.791 4.150 10.309 1.00 25.00 C ATOM 287 CD GLU A 313 25.580 4.264 11.807 1.00 25.00 C ATOM 288 OE1 GLU A 313 25.199 3.261 12.445 1.00 25.00 O ATOM 289 OE2 GLU A 313 25.772 5.369 12.365 1.00 25.00 O ATOM 0 H GLU A 313 22.256 4.961 10.411 1.00 25.00 H new ATOM 0 HA GLU A 313 24.661 6.414 10.150 1.00 25.00 H new ATOM 0 HB2 GLU A 313 23.729 3.697 9.949 1.00 25.00 H new ATOM 0 HB3 GLU A 313 24.651 4.041 8.499 1.00 25.00 H new ATOM 0 HG2 GLU A 313 26.207 3.170 10.075 1.00 25.00 H new ATOM 0 HG3 GLU A 313 26.523 4.891 9.989 1.00 25.00 H new ATOM 296 N LEU A 314 22.921 6.031 7.378 1.00 25.00 N ATOM 297 CA LEU A 314 22.780 6.535 6.007 1.00 25.00 C ATOM 298 C LEU A 314 22.402 8.010 6.044 1.00 25.00 C ATOM 299 O LEU A 314 22.600 8.756 5.086 1.00 25.00 O ATOM 300 CB LEU A 314 21.683 5.757 5.275 1.00 25.00 C ATOM 301 CG LEU A 314 21.955 4.275 4.980 1.00 25.00 C ATOM 302 CD1 LEU A 314 20.662 3.614 4.507 1.00 25.00 C ATOM 303 CD2 LEU A 314 23.047 4.107 3.917 1.00 25.00 C ATOM 0 H LEU A 314 22.153 5.437 7.691 1.00 25.00 H new ATOM 0 HA LEU A 314 23.727 6.408 5.483 1.00 25.00 H new ATOM 0 HB2 LEU A 314 20.770 5.822 5.867 1.00 25.00 H new ATOM 0 HB3 LEU A 314 21.486 6.260 4.328 1.00 25.00 H new ATOM 0 HG LEU A 314 22.306 3.798 5.895 1.00 25.00 H new ATOM 0 HD11 LEU A 314 20.848 2.561 4.296 1.00 25.00 H new ATOM 0 HD12 LEU A 314 19.904 3.699 5.285 1.00 25.00 H new ATOM 0 HD13 LEU A 314 20.310 4.109 3.602 1.00 25.00 H new ATOM 0 HD21 LEU A 314 23.215 3.046 3.732 1.00 25.00 H new ATOM 0 HD22 LEU A 314 22.732 4.591 2.992 1.00 25.00 H new ATOM 0 HD23 LEU A 314 23.971 4.564 4.270 1.00 25.00 H new ATOM 315 N GLY A 315 21.868 8.434 7.176 1.00 25.00 N ATOM 316 CA GLY A 315 21.482 9.817 7.346 1.00 25.00 C ATOM 317 C GLY A 315 20.166 10.151 6.673 1.00 25.00 C ATOM 318 O GLY A 315 19.933 11.301 6.300 1.00 25.00 O ATOM 0 H GLY A 315 21.694 7.840 7.987 1.00 25.00 H new ATOM 0 HA2 GLY A 315 21.406 10.039 8.410 1.00 25.00 H new ATOM 0 HA3 GLY A 315 22.264 10.459 6.941 1.00 25.00 H new ATOM 322 N GLU A 316 19.285 9.172 6.532 1.00 25.00 N ATOM 323 CA GLU A 316 17.967 9.408 5.926 1.00 25.00 C ATOM 324 C GLU A 316 17.171 10.370 6.813 1.00 25.00 C ATOM 325 O GLU A 316 16.234 11.024 6.373 1.00 25.00 O ATOM 326 CB GLU A 316 17.200 8.094 5.758 1.00 25.00 C ATOM 327 CG GLU A 316 17.910 7.063 4.896 1.00 25.00 C ATOM 328 CD GLU A 316 18.256 7.603 3.513 1.00 25.00 C ATOM 329 OE1 GLU A 316 17.387 8.237 2.879 1.00 25.00 O ATOM 330 OE2 GLU A 316 19.403 7.400 3.070 1.00 25.00 O ATOM 0 H GLU A 316 19.450 8.209 6.825 1.00 25.00 H new ATOM 0 HA GLU A 316 18.106 9.846 4.938 1.00 25.00 H new ATOM 0 HB2 GLU A 316 17.018 7.664 6.743 1.00 25.00 H new ATOM 0 HB3 GLU A 316 16.226 8.309 5.319 1.00 25.00 H new ATOM 0 HG2 GLU A 316 18.823 6.741 5.397 1.00 25.00 H new ATOM 0 HG3 GLU A 316 17.277 6.182 4.791 1.00 25.00 H new ATOM 337 N LEU A 317 17.593 10.468 8.068 1.00 25.00 N ATOM 338 CA LEU A 317 17.000 11.390 9.041 1.00 25.00 C ATOM 339 C LEU A 317 17.128 12.858 8.619 1.00 25.00 C ATOM 340 O LEU A 317 16.424 13.710 9.141 1.00 25.00 O ATOM 341 CB LEU A 317 17.688 11.226 10.402 1.00 25.00 C ATOM 342 CG LEU A 317 17.597 9.881 11.110 1.00 25.00 C ATOM 343 CD1 LEU A 317 18.596 9.969 12.232 1.00 25.00 C ATOM 344 CD2 LEU A 317 16.204 9.648 11.652 1.00 25.00 C ATOM 0 H LEU A 317 18.359 9.910 8.445 1.00 25.00 H new ATOM 0 HA LEU A 317 15.941 11.139 9.100 1.00 25.00 H new ATOM 0 HB2 LEU A 317 18.745 11.458 10.268 1.00 25.00 H new ATOM 0 HB3 LEU A 317 17.278 11.981 11.073 1.00 25.00 H new ATOM 0 HG LEU A 317 17.805 9.050 10.436 1.00 25.00 H new ATOM 0 HD11 LEU A 317 18.594 9.036 12.795 1.00 25.00 H new ATOM 0 HD12 LEU A 317 19.590 10.143 11.821 1.00 25.00 H new ATOM 0 HD13 LEU A 317 18.328 10.793 12.894 1.00 25.00 H new ATOM 0 HD21 LEU A 317 16.166 8.681 12.153 1.00 25.00 H new ATOM 0 HD22 LEU A 317 15.954 10.435 12.363 1.00 25.00 H new ATOM 0 HD23 LEU A 317 15.487 9.660 10.831 1.00 25.00 H new ATOM 356 N ARG A 318 18.025 13.156 7.681 1.00 25.00 N ATOM 357 CA ARG A 318 18.199 14.536 7.196 1.00 25.00 C ATOM 358 C ARG A 318 17.114 14.897 6.179 1.00 25.00 C ATOM 359 O ARG A 318 17.024 16.048 5.757 1.00 25.00 O ATOM 360 CB ARG A 318 19.579 14.734 6.543 1.00 25.00 C ATOM 361 CG ARG A 318 20.727 15.009 7.528 1.00 25.00 C ATOM 362 CD ARG A 318 21.410 13.736 8.034 1.00 25.00 C ATOM 363 NE ARG A 318 22.814 13.632 7.583 1.00 25.00 N ATOM 364 CZ ARG A 318 23.231 13.083 6.442 1.00 25.00 C ATOM 365 NH1 ARG A 318 22.417 12.568 5.556 1.00 25.00 N ATOM 366 NH2 ARG A 318 24.509 13.047 6.191 1.00 25.00 N ATOM 0 H ARG A 318 18.640 12.472 7.241 1.00 25.00 H new ATOM 0 HA ARG A 318 18.120 15.190 8.064 1.00 25.00 H new ATOM 0 HB2 ARG A 318 19.822 13.843 5.964 1.00 25.00 H new ATOM 0 HB3 ARG A 318 19.516 15.564 5.840 1.00 25.00 H new ATOM 0 HG2 ARG A 318 21.469 15.642 7.042 1.00 25.00 H new ATOM 0 HG3 ARG A 318 20.339 15.568 8.380 1.00 25.00 H new ATOM 0 HD2 ARG A 318 21.379 13.719 9.123 1.00 25.00 H new ATOM 0 HD3 ARG A 318 20.854 12.866 7.686 1.00 25.00 H new ATOM 0 HE ARG A 318 23.529 14.015 8.201 1.00 25.00 H new ATOM 0 HH11 ARG A 318 21.411 12.575 5.723 1.00 25.00 H new ATOM 0 HH12 ARG A 318 22.789 12.160 4.698 1.00 25.00 H new ATOM 0 HH21 ARG A 318 25.172 13.435 6.862 1.00 25.00 H new ATOM 0 HH22 ARG A 318 24.847 12.631 5.323 1.00 25.00 H new ATOM 380 N LYS A 319 16.311 13.918 5.783 1.00 25.00 N ATOM 381 CA LYS A 319 15.240 14.124 4.805 1.00 25.00 C ATOM 382 C LYS A 319 13.970 13.391 5.242 1.00 25.00 C ATOM 383 O LYS A 319 13.273 13.840 6.143 1.00 25.00 O ATOM 384 CB LYS A 319 15.695 13.652 3.414 1.00 25.00 C ATOM 385 CG LYS A 319 16.469 14.709 2.633 1.00 25.00 C ATOM 386 CD LYS A 319 16.850 14.236 1.216 1.00 25.00 C ATOM 387 CE LYS A 319 15.638 13.782 0.369 1.00 25.00 C ATOM 388 NZ LYS A 319 14.514 14.785 0.332 1.00 25.00 N ATOM 0 H LYS A 319 16.380 12.960 6.127 1.00 25.00 H new ATOM 0 HA LYS A 319 15.014 15.189 4.749 1.00 25.00 H new ATOM 0 HB2 LYS A 319 16.320 12.766 3.527 1.00 25.00 H new ATOM 0 HB3 LYS A 319 14.820 13.354 2.837 1.00 25.00 H new ATOM 0 HG2 LYS A 319 15.868 15.615 2.560 1.00 25.00 H new ATOM 0 HG3 LYS A 319 17.374 14.970 3.181 1.00 25.00 H new ATOM 0 HD2 LYS A 319 17.363 15.046 0.697 1.00 25.00 H new ATOM 0 HD3 LYS A 319 17.557 13.410 1.295 1.00 25.00 H new ATOM 0 HE2 LYS A 319 15.971 13.586 -0.650 1.00 25.00 H new ATOM 0 HE3 LYS A 319 15.260 12.841 0.768 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 13.840 14.524 -0.416 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 14.026 14.793 1.250 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 14.899 15.731 0.136 1.00 25.00 H new ATOM 402 N GLU A 320 13.679 12.270 4.603 1.00 25.00 N ATOM 403 CA GLU A 320 12.478 11.495 4.874 1.00 25.00 C ATOM 404 C GLU A 320 12.932 10.105 5.322 1.00 25.00 C ATOM 405 O GLU A 320 13.161 9.224 4.492 1.00 25.00 O ATOM 406 CB GLU A 320 11.606 11.401 3.611 1.00 25.00 C ATOM 407 CG GLU A 320 11.119 12.761 3.065 1.00 25.00 C ATOM 408 CD GLU A 320 12.145 13.446 2.153 1.00 25.00 C ATOM 409 OE1 GLU A 320 12.532 12.850 1.123 1.00 25.00 O ATOM 410 OE2 GLU A 320 12.566 14.590 2.449 1.00 25.00 O ATOM 0 H GLU A 320 14.273 11.869 3.877 1.00 25.00 H new ATOM 0 HA GLU A 320 11.876 11.969 5.649 1.00 25.00 H new ATOM 0 HB2 GLU A 320 12.173 10.893 2.831 1.00 25.00 H new ATOM 0 HB3 GLU A 320 10.737 10.780 3.830 1.00 25.00 H new ATOM 0 HG2 GLU A 320 10.192 12.612 2.511 1.00 25.00 H new ATOM 0 HG3 GLU A 320 10.888 13.420 3.902 1.00 25.00 H new ATOM 417 N PRO A 321 13.099 9.895 6.639 1.00 25.00 N ATOM 418 CA PRO A 321 13.617 8.582 7.031 1.00 25.00 C ATOM 419 C PRO A 321 12.676 7.418 6.755 1.00 25.00 C ATOM 420 O PRO A 321 11.463 7.500 6.962 1.00 25.00 O ATOM 421 CB PRO A 321 13.873 8.746 8.528 1.00 25.00 C ATOM 422 CG PRO A 321 12.904 9.788 8.955 1.00 25.00 C ATOM 423 CD PRO A 321 12.884 10.762 7.812 1.00 25.00 C ATOM 0 HA PRO A 321 14.500 8.320 6.448 1.00 25.00 H new ATOM 0 HB2 PRO A 321 13.713 7.810 9.064 1.00 25.00 H new ATOM 0 HB3 PRO A 321 14.900 9.054 8.724 1.00 25.00 H new ATOM 0 HG2 PRO A 321 11.916 9.364 9.134 1.00 25.00 H new ATOM 0 HG3 PRO A 321 13.218 10.268 9.882 1.00 25.00 H new ATOM 0 HD2 PRO A 321 11.935 11.295 7.752 1.00 25.00 H new ATOM 0 HD3 PRO A 321 13.667 11.514 7.908 1.00 25.00 H new ATOM 431 N SER A 322 13.259 6.324 6.292 1.00 25.00 N ATOM 432 CA SER A 322 12.521 5.110 5.985 1.00 25.00 C ATOM 433 C SER A 322 12.131 4.362 7.260 1.00 25.00 C ATOM 434 O SER A 322 12.508 4.760 8.369 1.00 25.00 O ATOM 435 CB SER A 322 13.400 4.220 5.110 1.00 25.00 C ATOM 436 OG SER A 322 14.546 4.947 4.688 1.00 25.00 O ATOM 0 H SER A 322 14.262 6.253 6.118 1.00 25.00 H new ATOM 0 HA SER A 322 11.602 5.373 5.461 1.00 25.00 H new ATOM 0 HB2 SER A 322 13.704 3.333 5.666 1.00 25.00 H new ATOM 0 HB3 SER A 322 12.836 3.875 4.243 1.00 25.00 H new ATOM 0 HG SER A 322 15.109 4.373 4.128 1.00 25.00 H new ATOM 442 N LEU A 323 11.367 3.287 7.090 1.00 25.00 N ATOM 443 CA LEU A 323 10.891 2.465 8.208 1.00 25.00 C ATOM 444 C LEU A 323 12.043 1.848 9.001 1.00 25.00 C ATOM 445 O LEU A 323 11.961 1.885 10.248 1.00 25.00 O ATOM 446 CB LEU A 323 9.987 1.348 7.666 1.00 25.00 C ATOM 447 CG LEU A 323 9.294 0.459 8.686 1.00 25.00 C ATOM 448 CD1 LEU A 323 8.216 1.233 9.413 1.00 25.00 C ATOM 449 CD2 LEU A 323 8.708 -0.669 7.884 1.00 25.00 C ATOM 450 OXT LEU A 323 13.003 1.354 8.383 1.00 25.00 O ATOM 0 H LEU A 323 11.058 2.958 6.175 1.00 25.00 H new ATOM 0 HA LEU A 323 10.335 3.113 8.885 1.00 25.00 H new ATOM 0 HB2 LEU A 323 9.220 1.807 7.042 1.00 25.00 H new ATOM 0 HB3 LEU A 323 10.588 0.712 7.017 1.00 25.00 H new ATOM 0 HG LEU A 323 9.978 0.093 9.452 1.00 25.00 H new ATOM 0 HD11 LEU A 323 7.729 0.583 10.140 1.00 25.00 H new ATOM 0 HD12 LEU A 323 8.663 2.083 9.928 1.00 25.00 H new ATOM 0 HD13 LEU A 323 7.478 1.591 8.695 1.00 25.00 H new ATOM 0 HD21 LEU A 323 8.189 -1.358 8.550 1.00 25.00 H new ATOM 0 HD22 LEU A 323 8.004 -0.269 7.154 1.00 25.00 H new ATOM 0 HD23 LEU A 323 9.506 -1.199 7.365 1.00 25.00 H new TER 462 LEU A 323