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 Set 1.1: A 298 THR OG1 : rot 96:sc= 0.944 USER MOD Set 1.2: A 299 ASN : amide:sc= 0.729 K(o=1.7,f=-1.7) USER MOD Single : A 302 LYS NZ :NH3+ -136:sc= 0.658 (180deg=0.0799) 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+ -179:sc= 1.08 (180deg=0.937) USER MOD Single : A 308 LYS NZ :NH3+ 162:sc= 1.03 (180deg=-0.0454!) USER MOD Single : A 312 LYS NZ :NH3+ 173:sc= 1.07 (180deg=1.03) USER MOD Single : A 319 LYS NZ :NH3+ -116:sc= 1.3 (180deg=-0.952) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 18.300 -18.936 9.898 1.00 25.00 N ATOM 2 CA THR A 298 18.711 -18.075 8.757 1.00 25.00 C ATOM 3 C THR A 298 17.640 -17.032 8.483 1.00 25.00 C ATOM 4 O THR A 298 16.724 -16.896 9.281 1.00 25.00 O ATOM 5 CB THR A 298 18.909 -18.942 7.497 1.00 25.00 C ATOM 6 OG1 THR A 298 17.740 -19.737 7.298 1.00 25.00 O ATOM 7 CG2 THR A 298 20.099 -19.882 7.650 1.00 25.00 C ATOM 0 HA THR A 298 19.647 -17.576 9.010 1.00 25.00 H new ATOM 0 HB THR A 298 19.090 -18.278 6.652 1.00 25.00 H new ATOM 0 HG1 THR A 298 17.148 -19.293 6.655 1.00 25.00 H new ATOM 0 HG21 THR A 298 20.210 -20.478 6.744 1.00 25.00 H new ATOM 0 HG22 THR A 298 21.005 -19.298 7.814 1.00 25.00 H new ATOM 0 HG23 THR A 298 19.934 -20.542 8.501 1.00 25.00 H new ATOM 17 N ASN A 299 17.755 -16.317 7.362 1.00 25.00 N ATOM 18 CA ASN A 299 16.741 -15.360 6.871 1.00 25.00 C ATOM 19 C ASN A 299 16.396 -14.183 7.806 1.00 25.00 C ATOM 20 O ASN A 299 15.365 -13.547 7.638 1.00 25.00 O ATOM 21 CB ASN A 299 15.434 -16.099 6.485 1.00 25.00 C ATOM 22 CG ASN A 299 15.635 -17.123 5.383 1.00 25.00 C ATOM 23 OD1 ASN A 299 16.466 -18.018 5.483 1.00 25.00 O ATOM 24 ND2 ASN A 299 14.871 -17.003 4.334 1.00 25.00 N ATOM 0 H ASN A 299 18.570 -16.383 6.752 1.00 25.00 H new ATOM 0 HA ASN A 299 17.220 -14.906 6.004 1.00 25.00 H new ATOM 0 HB2 ASN A 299 15.031 -16.597 7.367 1.00 25.00 H new ATOM 0 HB3 ASN A 299 14.691 -15.369 6.164 1.00 25.00 H new ATOM 0 HD21 ASN A 299 14.955 -17.666 3.564 1.00 25.00 H new ATOM 0 HD22 ASN A 299 14.189 -16.246 4.283 1.00 25.00 H new ATOM 31 N ARG A 300 17.249 -13.878 8.775 1.00 25.00 N ATOM 32 CA ARG A 300 17.012 -12.728 9.657 1.00 25.00 C ATOM 33 C ARG A 300 17.730 -11.521 9.063 1.00 25.00 C ATOM 34 O ARG A 300 18.911 -11.601 8.754 1.00 25.00 O ATOM 35 CB ARG A 300 17.495 -13.011 11.078 1.00 25.00 C ATOM 36 CG ARG A 300 16.664 -14.091 11.771 1.00 25.00 C ATOM 37 CD ARG A 300 16.640 -13.873 13.273 1.00 25.00 C ATOM 38 NE ARG A 300 15.774 -14.853 13.957 1.00 25.00 N ATOM 39 CZ ARG A 300 15.559 -14.906 15.270 1.00 25.00 C ATOM 40 NH1 ARG A 300 16.124 -14.071 16.107 1.00 25.00 N ATOM 41 NH2 ARG A 300 14.759 -15.817 15.749 1.00 25.00 N ATOM 0 H ARG A 300 18.103 -14.399 8.974 1.00 25.00 H new ATOM 0 HA ARG A 300 15.943 -12.529 9.724 1.00 25.00 H new ATOM 0 HB2 ARG A 300 18.539 -13.323 11.049 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.453 -12.092 11.663 1.00 25.00 H new ATOM 0 HG2 ARG A 300 15.646 -14.079 11.381 1.00 25.00 H new ATOM 0 HG3 ARG A 300 17.079 -15.074 11.548 1.00 25.00 H new ATOM 0 HD2 ARG A 300 17.654 -13.947 13.667 1.00 25.00 H new ATOM 0 HD3 ARG A 300 16.287 -12.864 13.488 1.00 25.00 H new ATOM 0 HE ARG A 300 15.302 -15.546 13.377 1.00 25.00 H new ATOM 0 HH11 ARG A 300 16.754 -13.348 15.759 1.00 25.00 H new ATOM 0 HH12 ARG A 300 15.934 -14.144 17.106 1.00 25.00 H new ATOM 0 HH21 ARG A 300 14.305 -16.479 15.120 1.00 25.00 H new ATOM 0 HH22 ARG A 300 14.587 -15.867 16.753 1.00 25.00 H new ATOM 55 N ARG A 301 17.012 -10.419 8.895 1.00 25.00 N ATOM 56 CA ARG A 301 17.550 -9.198 8.265 1.00 25.00 C ATOM 57 C ARG A 301 18.321 -8.252 9.193 1.00 25.00 C ATOM 58 O ARG A 301 18.605 -7.126 8.812 1.00 25.00 O ATOM 59 CB ARG A 301 16.390 -8.408 7.684 1.00 25.00 C ATOM 60 CG ARG A 301 15.724 -9.019 6.478 1.00 25.00 C ATOM 61 CD ARG A 301 14.611 -8.089 6.162 1.00 25.00 C ATOM 62 NE ARG A 301 13.943 -8.287 4.873 1.00 25.00 N ATOM 63 CZ ARG A 301 12.934 -7.534 4.446 1.00 25.00 C ATOM 64 NH1 ARG A 301 12.447 -6.554 5.172 1.00 25.00 N ATOM 65 NH2 ARG A 301 12.409 -7.765 3.274 1.00 25.00 N ATOM 0 H ARG A 301 16.039 -10.336 9.188 1.00 25.00 H new ATOM 0 HA ARG A 301 18.265 -9.552 7.522 1.00 25.00 H new ATOM 0 HB2 ARG A 301 15.639 -8.274 8.463 1.00 25.00 H new ATOM 0 HB3 ARG A 301 16.749 -7.415 7.414 1.00 25.00 H new ATOM 0 HG2 ARG A 301 16.418 -9.107 5.642 1.00 25.00 H new ATOM 0 HG3 ARG A 301 15.355 -10.022 6.693 1.00 25.00 H new ATOM 0 HD2 ARG A 301 13.863 -8.171 6.951 1.00 25.00 H new ATOM 0 HD3 ARG A 301 14.997 -7.070 6.194 1.00 25.00 H new ATOM 0 HE ARG A 301 14.270 -9.043 4.271 1.00 25.00 H new ATOM 0 HH11 ARG A 301 12.844 -6.354 6.090 1.00 25.00 H new ATOM 0 HH12 ARG A 301 11.672 -5.993 4.818 1.00 25.00 H new ATOM 0 HH21 ARG A 301 12.773 -8.519 2.692 1.00 25.00 H new ATOM 0 HH22 ARG A 301 11.635 -7.191 2.940 1.00 25.00 H new ATOM 79 N LYS A 302 18.639 -8.713 10.402 1.00 25.00 N ATOM 80 CA LYS A 302 19.321 -7.909 11.456 1.00 25.00 C ATOM 81 C LYS A 302 18.441 -6.756 11.966 1.00 25.00 C ATOM 82 O LYS A 302 18.921 -5.908 12.714 1.00 25.00 O ATOM 83 CB LYS A 302 20.654 -7.262 10.993 1.00 25.00 C ATOM 84 CG LYS A 302 21.535 -8.020 9.964 1.00 25.00 C ATOM 85 CD LYS A 302 22.446 -7.010 9.208 1.00 25.00 C ATOM 86 CE LYS A 302 21.642 -6.136 8.188 1.00 25.00 C ATOM 87 NZ LYS A 302 22.369 -4.886 7.727 1.00 25.00 N ATOM 0 H LYS A 302 18.434 -9.668 10.697 1.00 25.00 H new ATOM 0 HA LYS A 302 19.520 -8.639 12.240 1.00 25.00 H new ATOM 0 HB2 LYS A 302 20.418 -6.286 10.569 1.00 25.00 H new ATOM 0 HB3 LYS A 302 21.261 -7.086 11.881 1.00 25.00 H new ATOM 0 HG2 LYS A 302 22.146 -8.765 10.473 1.00 25.00 H new ATOM 0 HG3 LYS A 302 20.904 -8.556 9.255 1.00 25.00 H new ATOM 0 HD2 LYS A 302 22.941 -6.360 9.929 1.00 25.00 H new ATOM 0 HD3 LYS A 302 23.229 -7.554 8.679 1.00 25.00 H new ATOM 0 HE2 LYS A 302 21.402 -6.745 7.316 1.00 25.00 H new ATOM 0 HE3 LYS A 302 20.696 -5.845 8.644 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 21.711 -4.081 7.730 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 23.162 -4.688 8.371 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 22.733 -5.032 6.764 1.00 25.00 H new HETATM 101 N SEP A 303 17.177 -6.727 11.546 1.00 25.00 N HETATM 102 CA SEP A 303 16.365 -5.483 11.480 1.00 25.00 C HETATM 103 CB SEP A 303 15.635 -5.419 10.119 1.00 25.00 C HETATM 104 OG SEP A 303 14.793 -6.532 9.963 1.00 25.00 O HETATM 105 C SEP A 303 15.399 -5.372 12.686 1.00 25.00 C HETATM 106 O SEP A 303 15.671 -5.977 13.735 1.00 25.00 O HETATM 107 P SEP A 303 13.352 -6.384 9.272 1.00 25.00 P HETATM 108 O1P SEP A 303 12.850 -7.763 9.223 1.00 25.00 O HETATM 109 O2P SEP A 303 12.613 -5.481 10.176 1.00 25.00 O HETATM 110 O3P SEP A 303 13.634 -5.796 7.943 1.00 25.00 O HETATM 0 HB3 SEP A 303 15.051 -4.501 10.055 1.00 25.00 H new HETATM 0 HB2 SEP A 303 16.364 -5.390 9.309 1.00 25.00 H new HETATM 0 HA SEP A 303 17.023 -4.617 11.549 1.00 25.00 H new HETATM 0 H SEP A 303 17.183 -7.375 10.758 1.00 25.00 H new ATOM 115 N GLY A 304 14.627 -4.282 12.687 1.00 25.00 N ATOM 116 CA GLY A 304 13.923 -3.801 13.875 1.00 25.00 C ATOM 117 C GLY A 304 14.717 -2.736 14.599 1.00 25.00 C ATOM 118 O GLY A 304 14.710 -1.571 14.207 1.00 25.00 O ATOM 0 H GLY A 304 14.473 -3.707 11.859 1.00 25.00 H new ATOM 0 HA2 GLY A 304 12.952 -3.398 13.585 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.733 -4.636 14.549 1.00 25.00 H new ATOM 122 N LYS A 305 15.419 -3.124 15.656 1.00 25.00 N ATOM 123 CA LYS A 305 16.200 -2.169 16.459 1.00 25.00 C ATOM 124 C LYS A 305 17.226 -1.431 15.605 1.00 25.00 C ATOM 125 O LYS A 305 17.428 -0.228 15.758 1.00 25.00 O ATOM 126 CB LYS A 305 16.915 -2.913 17.603 1.00 25.00 C ATOM 127 CG LYS A 305 17.829 -2.037 18.488 1.00 25.00 C ATOM 128 CD LYS A 305 17.056 -0.972 19.272 1.00 25.00 C ATOM 129 CE LYS A 305 18.015 -0.115 20.097 1.00 25.00 C ATOM 130 NZ LYS A 305 17.283 0.929 20.896 1.00 25.00 N ATOM 0 H LYS A 305 15.469 -4.089 15.983 1.00 25.00 H new ATOM 0 HA LYS A 305 15.511 -1.432 16.872 1.00 25.00 H new ATOM 0 HB2 LYS A 305 16.162 -3.380 18.237 1.00 25.00 H new ATOM 0 HB3 LYS A 305 17.514 -3.717 17.174 1.00 25.00 H new ATOM 0 HG2 LYS A 305 18.369 -2.675 19.187 1.00 25.00 H new ATOM 0 HG3 LYS A 305 18.575 -1.549 17.860 1.00 25.00 H new ATOM 0 HD2 LYS A 305 16.495 -0.340 18.583 1.00 25.00 H new ATOM 0 HD3 LYS A 305 16.330 -1.451 19.929 1.00 25.00 H new ATOM 0 HE2 LYS A 305 18.586 -0.754 20.770 1.00 25.00 H new ATOM 0 HE3 LYS A 305 18.731 0.370 19.434 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 17.967 1.491 21.443 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 16.758 1.554 20.252 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 16.618 0.465 21.547 1.00 25.00 H new ATOM 144 N TYR A 306 17.872 -2.155 14.710 1.00 25.00 N ATOM 145 CA TYR A 306 18.915 -1.579 13.874 1.00 25.00 C ATOM 146 C TYR A 306 18.377 -0.950 12.593 1.00 25.00 C ATOM 147 O TYR A 306 19.119 -0.321 11.863 1.00 25.00 O ATOM 148 CB TYR A 306 19.943 -2.653 13.531 1.00 25.00 C ATOM 149 CG TYR A 306 20.584 -3.260 14.766 1.00 25.00 C ATOM 150 CD1 TYR A 306 21.702 -2.647 15.369 1.00 25.00 C ATOM 151 CD2 TYR A 306 20.072 -4.443 15.345 1.00 25.00 C ATOM 152 CE1 TYR A 306 22.298 -3.207 16.533 1.00 25.00 C ATOM 153 CE2 TYR A 306 20.667 -5.002 16.507 1.00 25.00 C ATOM 154 CZ TYR A 306 21.773 -4.377 17.088 1.00 25.00 C ATOM 155 OH TYR A 306 22.351 -4.913 18.210 1.00 25.00 O ATOM 0 H TYR A 306 17.694 -3.145 14.541 1.00 25.00 H new ATOM 0 HA TYR A 306 19.377 -0.776 14.447 1.00 25.00 H new ATOM 0 HB2 TYR A 306 19.461 -3.440 12.951 1.00 25.00 H new ATOM 0 HB3 TYR A 306 20.718 -2.220 12.899 1.00 25.00 H new ATOM 0 HD1 TYR A 306 22.110 -1.743 14.942 1.00 25.00 H new ATOM 0 HD2 TYR A 306 19.217 -4.928 14.898 1.00 25.00 H new ATOM 0 HE1 TYR A 306 23.154 -2.729 16.986 1.00 25.00 H new ATOM 0 HE2 TYR A 306 20.266 -5.907 16.940 1.00 25.00 H new ATOM 0 HH TYR A 306 21.868 -5.725 18.471 1.00 25.00 H new ATOM 165 N LYS A 307 17.089 -1.109 12.317 1.00 25.00 N ATOM 166 CA LYS A 307 16.507 -0.568 11.080 1.00 25.00 C ATOM 167 C LYS A 307 16.602 0.955 11.044 1.00 25.00 C ATOM 168 O LYS A 307 17.039 1.541 10.063 1.00 25.00 O ATOM 169 CB LYS A 307 15.050 -1.004 10.956 1.00 25.00 C ATOM 170 CG LYS A 307 14.679 -1.470 9.574 1.00 25.00 C ATOM 171 CD LYS A 307 13.280 -2.055 9.576 1.00 25.00 C ATOM 172 CE LYS A 307 12.956 -2.697 8.241 1.00 25.00 C ATOM 173 NZ LYS A 307 11.714 -3.523 8.357 1.00 25.00 N ATOM 0 H LYS A 307 16.429 -1.600 12.920 1.00 25.00 H new ATOM 0 HA LYS A 307 17.075 -0.962 10.237 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.858 -1.808 11.666 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.405 -0.171 11.236 1.00 25.00 H new ATOM 0 HG2 LYS A 307 14.731 -0.635 8.875 1.00 25.00 H new ATOM 0 HG3 LYS A 307 15.393 -2.218 9.231 1.00 25.00 H new ATOM 0 HD2 LYS A 307 13.193 -2.796 10.370 1.00 25.00 H new ATOM 0 HD3 LYS A 307 12.555 -1.271 9.792 1.00 25.00 H new ATOM 0 HE2 LYS A 307 12.821 -1.927 7.481 1.00 25.00 H new ATOM 0 HE3 LYS A 307 13.789 -3.321 7.917 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 11.509 -3.973 7.442 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 11.852 -4.257 9.080 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 10.916 -2.914 8.630 1.00 25.00 H new ATOM 187 N LYS A 308 16.207 1.589 12.139 1.00 25.00 N ATOM 188 CA LYS A 308 16.272 3.050 12.238 1.00 25.00 C ATOM 189 C LYS A 308 17.731 3.498 12.286 1.00 25.00 C ATOM 190 O LYS A 308 18.072 4.577 11.824 1.00 25.00 O ATOM 191 CB LYS A 308 15.511 3.527 13.486 1.00 25.00 C ATOM 192 CG LYS A 308 15.345 5.065 13.611 1.00 25.00 C ATOM 193 CD LYS A 308 14.466 5.691 12.507 1.00 25.00 C ATOM 194 CE LYS A 308 12.988 5.301 12.640 1.00 25.00 C ATOM 195 NZ LYS A 308 12.182 5.866 11.507 1.00 25.00 N ATOM 0 H LYS A 308 15.840 1.123 12.969 1.00 25.00 H new ATOM 0 HA LYS A 308 15.801 3.495 11.361 1.00 25.00 H new ATOM 0 HB2 LYS A 308 14.522 3.070 13.485 1.00 25.00 H new ATOM 0 HB3 LYS A 308 16.031 3.161 14.371 1.00 25.00 H new ATOM 0 HG2 LYS A 308 14.909 5.296 14.583 1.00 25.00 H new ATOM 0 HG3 LYS A 308 16.330 5.530 13.585 1.00 25.00 H new ATOM 0 HD2 LYS A 308 14.557 6.776 12.547 1.00 25.00 H new ATOM 0 HD3 LYS A 308 14.835 5.376 11.531 1.00 25.00 H new ATOM 0 HE2 LYS A 308 12.894 4.215 12.653 1.00 25.00 H new ATOM 0 HE3 LYS A 308 12.595 5.666 13.589 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 11.277 5.358 11.438 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 12.001 6.875 11.680 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 12.709 5.756 10.617 1.00 25.00 H new ATOM 209 N VAL A 309 18.591 2.659 12.842 1.00 25.00 N ATOM 210 CA VAL A 309 20.017 2.969 12.925 1.00 25.00 C ATOM 211 C VAL A 309 20.648 2.946 11.545 1.00 25.00 C ATOM 212 O VAL A 309 21.493 3.768 11.265 1.00 25.00 O ATOM 213 CB VAL A 309 20.754 2.000 13.892 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.283 2.117 13.778 1.00 25.00 C ATOM 215 CG2 VAL A 309 20.342 2.330 15.310 1.00 25.00 C ATOM 0 H VAL A 309 18.331 1.758 13.243 1.00 25.00 H new ATOM 0 HA VAL A 309 20.118 3.975 13.332 1.00 25.00 H new ATOM 0 HB VAL A 309 20.478 0.980 13.624 1.00 25.00 H new ATOM 0 HG11 VAL A 309 22.754 1.421 14.472 1.00 25.00 H new ATOM 0 HG12 VAL A 309 22.591 1.878 12.760 1.00 25.00 H new ATOM 0 HG13 VAL A 309 22.589 3.135 14.021 1.00 25.00 H new ATOM 0 HG21 VAL A 309 20.850 1.659 16.002 1.00 25.00 H new ATOM 0 HG22 VAL A 309 20.615 3.361 15.538 1.00 25.00 H new ATOM 0 HG23 VAL A 309 19.264 2.209 15.413 1.00 25.00 H new ATOM 225 N GLU A 310 20.234 2.039 10.677 1.00 25.00 N ATOM 226 CA GLU A 310 20.784 1.989 9.322 1.00 25.00 C ATOM 227 C GLU A 310 20.523 3.337 8.628 1.00 25.00 C ATOM 228 O GLU A 310 21.396 3.890 7.974 1.00 25.00 O ATOM 229 CB GLU A 310 20.173 0.805 8.552 1.00 25.00 C ATOM 230 CG GLU A 310 21.091 0.209 7.479 1.00 25.00 C ATOM 231 CD GLU A 310 20.652 -1.200 7.045 1.00 25.00 C ATOM 232 OE1 GLU A 310 19.588 -1.327 6.407 1.00 25.00 O ATOM 233 OE2 GLU A 310 21.375 -2.190 7.359 1.00 25.00 O ATOM 0 H GLU A 310 19.527 1.332 10.877 1.00 25.00 H new ATOM 0 HA GLU A 310 21.862 1.828 9.351 1.00 25.00 H new ATOM 0 HB2 GLU A 310 19.909 0.022 9.263 1.00 25.00 H new ATOM 0 HB3 GLU A 310 19.247 1.133 8.080 1.00 25.00 H new ATOM 0 HG2 GLU A 310 21.103 0.866 6.610 1.00 25.00 H new ATOM 0 HG3 GLU A 310 22.111 0.167 7.861 1.00 25.00 H new ATOM 240 N ILE A 311 19.325 3.881 8.813 1.00 25.00 N ATOM 241 CA ILE A 311 18.977 5.197 8.255 1.00 25.00 C ATOM 242 C ILE A 311 19.747 6.315 8.972 1.00 25.00 C ATOM 243 O ILE A 311 20.177 7.290 8.350 1.00 25.00 O ATOM 244 CB ILE A 311 17.442 5.457 8.378 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.648 4.360 7.634 1.00 25.00 C ATOM 246 CG2 ILE A 311 17.057 6.852 7.834 1.00 25.00 C ATOM 247 CD1 ILE A 311 16.919 4.228 6.106 1.00 25.00 C ATOM 0 H ILE A 311 18.575 3.437 9.343 1.00 25.00 H new ATOM 0 HA ILE A 311 19.256 5.197 7.201 1.00 25.00 H new ATOM 0 HB ILE A 311 17.187 5.427 9.437 1.00 25.00 H new ATOM 0 HG12 ILE A 311 16.866 3.401 8.104 1.00 25.00 H new ATOM 0 HG13 ILE A 311 15.584 4.551 7.778 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.982 6.998 7.936 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.583 7.621 8.400 1.00 25.00 H new ATOM 0 HG23 ILE A 311 17.335 6.922 6.782 1.00 25.00 H new ATOM 0 HD11 ILE A 311 16.305 3.426 5.695 1.00 25.00 H new ATOM 0 HD12 ILE A 311 16.670 5.166 5.610 1.00 25.00 H new ATOM 0 HD13 ILE A 311 17.972 3.999 5.942 1.00 25.00 H new ATOM 259 N LYS A 312 19.936 6.174 10.278 1.00 25.00 N ATOM 260 CA LYS A 312 20.689 7.161 11.062 1.00 25.00 C ATOM 261 C LYS A 312 22.137 7.210 10.593 1.00 25.00 C ATOM 262 O LYS A 312 22.710 8.285 10.463 1.00 25.00 O ATOM 263 CB LYS A 312 20.634 6.813 12.556 1.00 25.00 C ATOM 264 CG LYS A 312 21.269 7.878 13.469 1.00 25.00 C ATOM 265 CD LYS A 312 22.146 7.268 14.573 1.00 25.00 C ATOM 266 CE LYS A 312 23.423 6.606 14.026 1.00 25.00 C ATOM 267 NZ LYS A 312 24.324 7.545 13.270 1.00 25.00 N ATOM 0 H LYS A 312 19.581 5.388 10.822 1.00 25.00 H new ATOM 0 HA LYS A 312 20.234 8.141 10.914 1.00 25.00 H new ATOM 0 HB2 LYS A 312 19.593 6.672 12.848 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.142 5.862 12.716 1.00 25.00 H new ATOM 0 HG2 LYS A 312 21.872 8.555 12.865 1.00 25.00 H new ATOM 0 HG3 LYS A 312 20.480 8.475 13.926 1.00 25.00 H new ATOM 0 HD2 LYS A 312 22.422 8.048 15.283 1.00 25.00 H new ATOM 0 HD3 LYS A 312 21.566 6.527 15.123 1.00 25.00 H new ATOM 0 HE2 LYS A 312 23.981 6.174 14.857 1.00 25.00 H new ATOM 0 HE3 LYS A 312 23.141 5.783 13.370 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 25.214 7.060 13.036 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 23.853 7.847 12.393 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 24.529 8.378 13.858 1.00 25.00 H new ATOM 281 N GLU A 313 22.728 6.052 10.351 1.00 25.00 N ATOM 282 CA GLU A 313 24.097 5.978 9.834 1.00 25.00 C ATOM 283 C GLU A 313 24.197 6.547 8.420 1.00 25.00 C ATOM 284 O GLU A 313 25.183 7.188 8.079 1.00 25.00 O ATOM 285 CB GLU A 313 24.594 4.527 9.848 1.00 25.00 C ATOM 286 CG GLU A 313 25.881 4.350 10.639 1.00 25.00 C ATOM 287 CD GLU A 313 25.710 4.741 12.100 1.00 25.00 C ATOM 288 OE1 GLU A 313 24.948 4.072 12.828 1.00 25.00 O ATOM 289 OE2 GLU A 313 26.325 5.746 12.523 1.00 25.00 O ATOM 0 H GLU A 313 22.286 5.145 10.502 1.00 25.00 H new ATOM 0 HA GLU A 313 24.727 6.583 10.486 1.00 25.00 H new ATOM 0 HB2 GLU A 313 23.821 3.888 10.274 1.00 25.00 H new ATOM 0 HB3 GLU A 313 24.755 4.193 8.823 1.00 25.00 H new ATOM 0 HG2 GLU A 313 26.205 3.311 10.577 1.00 25.00 H new ATOM 0 HG3 GLU A 313 26.668 4.956 10.191 1.00 25.00 H new ATOM 296 N LEU A 314 23.169 6.330 7.606 1.00 25.00 N ATOM 297 CA LEU A 314 23.137 6.872 6.240 1.00 25.00 C ATOM 298 C LEU A 314 22.946 8.387 6.255 1.00 25.00 C ATOM 299 O LEU A 314 23.256 9.075 5.290 1.00 25.00 O ATOM 300 CB LEU A 314 21.988 6.234 5.443 1.00 25.00 C ATOM 301 CG LEU A 314 22.350 5.200 4.360 1.00 25.00 C ATOM 302 CD1 LEU A 314 23.125 5.861 3.216 1.00 25.00 C ATOM 303 CD2 LEU A 314 23.157 4.025 4.925 1.00 25.00 C ATOM 0 H LEU A 314 22.346 5.785 7.862 1.00 25.00 H new ATOM 0 HA LEU A 314 24.091 6.638 5.768 1.00 25.00 H new ATOM 0 HB2 LEU A 314 21.315 5.753 6.153 1.00 25.00 H new ATOM 0 HB3 LEU A 314 21.426 7.037 4.965 1.00 25.00 H new ATOM 0 HG LEU A 314 21.410 4.803 3.977 1.00 25.00 H new ATOM 0 HD11 LEU A 314 23.370 5.113 2.463 1.00 25.00 H new ATOM 0 HD12 LEU A 314 22.513 6.642 2.766 1.00 25.00 H new ATOM 0 HD13 LEU A 314 24.044 6.299 3.605 1.00 25.00 H new ATOM 0 HD21 LEU A 314 23.388 3.323 4.123 1.00 25.00 H new ATOM 0 HD22 LEU A 314 24.085 4.397 5.360 1.00 25.00 H new ATOM 0 HD23 LEU A 314 22.573 3.519 5.693 1.00 25.00 H new ATOM 315 N GLY A 315 22.431 8.901 7.361 1.00 25.00 N ATOM 316 CA GLY A 315 22.230 10.331 7.513 1.00 25.00 C ATOM 317 C GLY A 315 20.972 10.847 6.845 1.00 25.00 C ATOM 318 O GLY A 315 20.760 12.058 6.785 1.00 25.00 O ATOM 0 H GLY A 315 22.144 8.346 8.168 1.00 25.00 H new ATOM 0 HA2 GLY A 315 22.191 10.572 8.575 1.00 25.00 H new ATOM 0 HA3 GLY A 315 23.091 10.855 7.099 1.00 25.00 H new ATOM 322 N GLU A 316 20.121 9.953 6.354 1.00 25.00 N ATOM 323 CA GLU A 316 18.892 10.358 5.651 1.00 25.00 C ATOM 324 C GLU A 316 17.878 11.013 6.585 1.00 25.00 C ATOM 325 O GLU A 316 16.861 11.524 6.150 1.00 25.00 O ATOM 326 CB GLU A 316 18.244 9.168 4.936 1.00 25.00 C ATOM 327 CG GLU A 316 18.409 9.221 3.415 1.00 25.00 C ATOM 328 CD GLU A 316 17.837 10.504 2.796 1.00 25.00 C ATOM 329 OE1 GLU A 316 16.616 10.746 2.897 1.00 25.00 O ATOM 330 OE2 GLU A 316 18.617 11.268 2.196 1.00 25.00 O ATOM 0 H GLU A 316 20.252 8.944 6.425 1.00 25.00 H new ATOM 0 HA GLU A 316 19.193 11.099 4.910 1.00 25.00 H new ATOM 0 HB2 GLU A 316 18.682 8.243 5.311 1.00 25.00 H new ATOM 0 HB3 GLU A 316 17.182 9.139 5.180 1.00 25.00 H new ATOM 0 HG2 GLU A 316 19.468 9.145 3.167 1.00 25.00 H new ATOM 0 HG3 GLU A 316 17.914 8.357 2.971 1.00 25.00 H new ATOM 337 N LEU A 317 18.181 11.032 7.877 1.00 25.00 N ATOM 338 CA LEU A 317 17.344 11.729 8.855 1.00 25.00 C ATOM 339 C LEU A 317 17.349 13.233 8.555 1.00 25.00 C ATOM 340 O LEU A 317 16.490 13.972 9.013 1.00 25.00 O ATOM 341 CB LEU A 317 17.875 11.506 10.275 1.00 25.00 C ATOM 342 CG LEU A 317 18.005 10.083 10.792 1.00 25.00 C ATOM 343 CD1 LEU A 317 18.621 10.251 12.149 1.00 25.00 C ATOM 344 CD2 LEU A 317 16.670 9.390 10.889 1.00 25.00 C ATOM 0 H LEU A 317 19.000 10.573 8.276 1.00 25.00 H new ATOM 0 HA LEU A 317 16.330 11.334 8.786 1.00 25.00 H new ATOM 0 HB2 LEU A 317 18.859 11.971 10.336 1.00 25.00 H new ATOM 0 HB3 LEU A 317 17.223 12.048 10.960 1.00 25.00 H new ATOM 0 HG LEU A 317 18.599 9.459 10.125 1.00 25.00 H new ATOM 0 HD11 LEU A 317 18.757 9.273 12.610 1.00 25.00 H new ATOM 0 HD12 LEU A 317 19.588 10.744 12.051 1.00 25.00 H new ATOM 0 HD13 LEU A 317 17.966 10.858 12.773 1.00 25.00 H new ATOM 0 HD21 LEU A 317 16.813 8.376 11.263 1.00 25.00 H new ATOM 0 HD22 LEU A 317 16.023 9.941 11.572 1.00 25.00 H new ATOM 0 HD23 LEU A 317 16.208 9.351 9.903 1.00 25.00 H new ATOM 356 N ARG A 318 18.333 13.664 7.771 1.00 25.00 N ATOM 357 CA ARG A 318 18.459 15.048 7.333 1.00 25.00 C ATOM 358 C ARG A 318 17.366 15.404 6.322 1.00 25.00 C ATOM 359 O ARG A 318 17.011 16.570 6.178 1.00 25.00 O ATOM 360 CB ARG A 318 19.838 15.203 6.668 1.00 25.00 C ATOM 361 CG ARG A 318 20.191 16.604 6.172 1.00 25.00 C ATOM 362 CD ARG A 318 20.482 17.576 7.314 1.00 25.00 C ATOM 363 NE ARG A 318 21.721 17.221 8.029 1.00 25.00 N ATOM 364 CZ ARG A 318 22.948 17.599 7.678 1.00 25.00 C ATOM 365 NH1 ARG A 318 23.182 18.357 6.634 1.00 25.00 N ATOM 366 NH2 ARG A 318 23.964 17.199 8.392 1.00 25.00 N ATOM 0 H ARG A 318 19.072 13.055 7.419 1.00 25.00 H new ATOM 0 HA ARG A 318 18.356 15.715 8.189 1.00 25.00 H new ATOM 0 HB2 ARG A 318 20.600 14.889 7.381 1.00 25.00 H new ATOM 0 HB3 ARG A 318 19.891 14.516 5.823 1.00 25.00 H new ATOM 0 HG2 ARG A 318 21.062 16.545 5.519 1.00 25.00 H new ATOM 0 HG3 ARG A 318 19.368 16.991 5.572 1.00 25.00 H new ATOM 0 HD2 ARG A 318 20.568 18.588 6.918 1.00 25.00 H new ATOM 0 HD3 ARG A 318 19.646 17.577 8.013 1.00 25.00 H new ATOM 0 HE ARG A 318 21.631 16.638 8.861 1.00 25.00 H new ATOM 0 HH11 ARG A 318 22.407 18.681 6.055 1.00 25.00 H new ATOM 0 HH12 ARG A 318 24.139 18.623 6.401 1.00 25.00 H new ATOM 0 HH21 ARG A 318 23.812 16.605 9.207 1.00 25.00 H new ATOM 0 HH22 ARG A 318 24.910 17.481 8.135 1.00 25.00 H new ATOM 380 N LYS A 319 16.860 14.397 5.620 1.00 25.00 N ATOM 381 CA LYS A 319 15.893 14.591 4.552 1.00 25.00 C ATOM 382 C LYS A 319 14.609 13.790 4.821 1.00 25.00 C ATOM 383 O LYS A 319 13.662 14.338 5.371 1.00 25.00 O ATOM 384 CB LYS A 319 16.572 14.190 3.239 1.00 25.00 C ATOM 385 CG LYS A 319 15.713 14.320 2.013 1.00 25.00 C ATOM 386 CD LYS A 319 16.467 13.833 0.776 1.00 25.00 C ATOM 387 CE LYS A 319 15.609 12.930 -0.110 1.00 25.00 C ATOM 388 NZ LYS A 319 15.218 11.650 0.578 1.00 25.00 N ATOM 0 H LYS A 319 17.111 13.421 5.778 1.00 25.00 H new ATOM 0 HA LYS A 319 15.582 15.634 4.492 1.00 25.00 H new ATOM 0 HB2 LYS A 319 17.463 14.804 3.106 1.00 25.00 H new ATOM 0 HB3 LYS A 319 16.906 13.156 3.322 1.00 25.00 H new ATOM 0 HG2 LYS A 319 14.798 13.741 2.140 1.00 25.00 H new ATOM 0 HG3 LYS A 319 15.416 15.360 1.879 1.00 25.00 H new ATOM 0 HD2 LYS A 319 16.803 14.693 0.197 1.00 25.00 H new ATOM 0 HD3 LYS A 319 17.359 13.290 1.088 1.00 25.00 H new ATOM 0 HE2 LYS A 319 14.709 13.468 -0.408 1.00 25.00 H new ATOM 0 HE3 LYS A 319 16.157 12.695 -1.023 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 15.641 10.843 0.076 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 15.560 11.665 1.560 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 14.182 11.556 0.574 1.00 25.00 H new ATOM 402 N GLU A 320 14.570 12.514 4.454 1.00 25.00 N ATOM 403 CA GLU A 320 13.366 11.695 4.630 1.00 25.00 C ATOM 404 C GLU A 320 13.719 10.316 5.192 1.00 25.00 C ATOM 405 O GLU A 320 14.255 9.466 4.477 1.00 25.00 O ATOM 406 CB GLU A 320 12.657 11.492 3.284 1.00 25.00 C ATOM 407 CG GLU A 320 11.961 12.740 2.719 1.00 25.00 C ATOM 408 CD GLU A 320 12.300 12.974 1.250 1.00 25.00 C ATOM 409 OE1 GLU A 320 12.352 11.989 0.481 1.00 25.00 O ATOM 410 OE2 GLU A 320 12.534 14.136 0.865 1.00 25.00 O ATOM 0 H GLU A 320 15.356 12.020 4.032 1.00 25.00 H new ATOM 0 HA GLU A 320 12.713 12.221 5.327 1.00 25.00 H new ATOM 0 HB2 GLU A 320 13.388 11.141 2.555 1.00 25.00 H new ATOM 0 HB3 GLU A 320 11.915 10.701 3.397 1.00 25.00 H new ATOM 0 HG2 GLU A 320 10.882 12.633 2.828 1.00 25.00 H new ATOM 0 HG3 GLU A 320 12.255 13.613 3.302 1.00 25.00 H new ATOM 417 N PRO A 321 13.415 10.058 6.477 1.00 25.00 N ATOM 418 CA PRO A 321 13.724 8.690 6.903 1.00 25.00 C ATOM 419 C PRO A 321 12.795 7.657 6.269 1.00 25.00 C ATOM 420 O PRO A 321 11.574 7.769 6.332 1.00 25.00 O ATOM 421 CB PRO A 321 13.529 8.746 8.412 1.00 25.00 C ATOM 422 CG PRO A 321 12.504 9.818 8.618 1.00 25.00 C ATOM 423 CD PRO A 321 12.820 10.856 7.567 1.00 25.00 C ATOM 0 HA PRO A 321 14.725 8.380 6.602 1.00 25.00 H new ATOM 0 HB2 PRO A 321 13.186 7.788 8.804 1.00 25.00 H new ATOM 0 HB3 PRO A 321 14.461 8.984 8.924 1.00 25.00 H new ATOM 0 HG2 PRO A 321 11.493 9.428 8.498 1.00 25.00 H new ATOM 0 HG3 PRO A 321 12.567 10.239 9.622 1.00 25.00 H new ATOM 0 HD2 PRO A 321 11.924 11.383 7.238 1.00 25.00 H new ATOM 0 HD3 PRO A 321 13.514 11.609 7.940 1.00 25.00 H new ATOM 431 N SER A 322 13.391 6.654 5.647 1.00 25.00 N ATOM 432 CA SER A 322 12.624 5.616 4.954 1.00 25.00 C ATOM 433 C SER A 322 12.227 4.473 5.878 1.00 25.00 C ATOM 434 O SER A 322 11.244 3.778 5.625 1.00 25.00 O ATOM 435 CB SER A 322 13.449 5.043 3.800 1.00 25.00 C ATOM 436 OG SER A 322 12.710 4.065 3.087 1.00 25.00 O ATOM 0 H SER A 322 14.403 6.531 5.604 1.00 25.00 H new ATOM 0 HA SER A 322 11.714 6.089 4.584 1.00 25.00 H new ATOM 0 HB2 SER A 322 13.744 5.846 3.124 1.00 25.00 H new ATOM 0 HB3 SER A 322 14.366 4.600 4.188 1.00 25.00 H new ATOM 0 HG SER A 322 13.256 3.713 2.353 1.00 25.00 H new ATOM 442 N LEU A 323 13.004 4.273 6.935 1.00 25.00 N ATOM 443 CA LEU A 323 12.787 3.191 7.895 1.00 25.00 C ATOM 444 C LEU A 323 13.126 3.756 9.261 1.00 25.00 C ATOM 445 O LEU A 323 12.942 3.072 10.288 1.00 25.00 O ATOM 446 CB LEU A 323 13.694 1.986 7.581 1.00 25.00 C ATOM 447 CG LEU A 323 13.566 1.337 6.210 1.00 25.00 C ATOM 448 CD1 LEU A 323 14.765 0.440 6.048 1.00 25.00 C ATOM 449 CD2 LEU A 323 12.272 0.555 6.133 1.00 25.00 C ATOM 450 OXT LEU A 323 13.579 4.923 9.278 1.00 25.00 O ATOM 0 H LEU A 323 13.809 4.860 7.154 1.00 25.00 H new ATOM 0 HA LEU A 323 11.757 2.837 7.852 1.00 25.00 H new ATOM 0 HB2 LEU A 323 14.729 2.305 7.705 1.00 25.00 H new ATOM 0 HB3 LEU A 323 13.505 1.220 8.333 1.00 25.00 H new ATOM 0 HG LEU A 323 13.539 2.076 5.410 1.00 25.00 H new ATOM 0 HD11 LEU A 323 14.722 -0.052 5.077 1.00 25.00 H new ATOM 0 HD12 LEU A 323 15.676 1.035 6.114 1.00 25.00 H new ATOM 0 HD13 LEU A 323 14.766 -0.313 6.836 1.00 25.00 H new ATOM 0 HD21 LEU A 323 12.185 0.092 5.150 1.00 25.00 H new ATOM 0 HD22 LEU A 323 12.269 -0.219 6.900 1.00 25.00 H new ATOM 0 HD23 LEU A 323 11.430 1.228 6.293 1.00 25.00 H new TER 462 LEU A 323