USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 572 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 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot 28:sc= 0.185 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl 169:sc= -4.39 (180deg=-4.75) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 471 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0247) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 146:sc= 0.124 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= -0.222 K(o=-0.22,f=-0.76) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 164:sc= -0.0153 (180deg=-0.187) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= 0.253 K(o=0.25,f=-3!) USER MOD Single : A 489 THR OG1 : rot 70:sc= 0.143 USER MOD Single : A 491 ASN : amide:sc= -0.205 K(o=-0.21,f=-1.1) USER MOD Single : A 495 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 498 LYS NZ :NH3+ -167:sc= 0.628 (180deg=0.408) USER MOD Single : A 501 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.31) USER MOD Single : A 505 LYS NZ :NH3+ 167:sc= -0.183 (180deg=-0.699) USER MOD Single : A 506 MET CE :methyl 141:sc= -1.98 (180deg=-6.04!) USER MOD Single : A 508 ASN : amide:sc= -0.0857 K(o=-0.086,f=-1.6) USER MOD Single : A 510 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00436) USER MOD Single : A 511 MET CE :methyl 174:sc= 0 (180deg=-0.0383) USER MOD Single : A 512 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.27) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -10.353 0.741 3.367 1.00 0.00 N ATOM 46 CA VAL A 454 -9.131 -0.044 3.241 1.00 0.00 C ATOM 47 C VAL A 454 -8.612 -0.473 4.610 1.00 0.00 C ATOM 48 O VAL A 454 -8.572 0.324 5.547 1.00 0.00 O ATOM 49 CB VAL A 454 -8.028 0.745 2.509 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.815 -0.137 2.257 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.558 1.321 1.204 1.00 0.00 C ATOM 0 HA VAL A 454 -9.381 -0.929 2.656 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.719 1.574 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.048 0.439 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.421 -0.494 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -7.106 -0.989 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.765 1.875 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.898 0.510 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.391 1.992 1.414 1.00 0.00 H new ATOM 61 N THR A 455 -8.215 -1.737 4.717 1.00 0.00 N ATOM 62 CA THR A 455 -7.698 -2.271 5.972 1.00 0.00 C ATOM 63 C THR A 455 -6.178 -2.388 5.928 1.00 0.00 C ATOM 64 O THR A 455 -5.590 -2.591 4.866 1.00 0.00 O ATOM 65 CB THR A 455 -8.319 -3.639 6.262 1.00 0.00 C ATOM 66 OG1 THR A 455 -8.175 -4.502 5.148 1.00 0.00 O ATOM 67 CG2 THR A 455 -9.792 -3.568 6.601 1.00 0.00 C ATOM 0 H THR A 455 -8.241 -2.410 3.951 1.00 0.00 H new ATOM 0 HA THR A 455 -7.968 -1.581 6.771 1.00 0.00 H new ATOM 0 HB THR A 455 -7.781 -4.022 7.130 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.577 -5.372 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 455 -10.169 -4.572 6.795 1.00 0.00 H new ATOM 0 HG22 THR A 455 -9.932 -2.950 7.488 1.00 0.00 H new ATOM 0 HG23 THR A 455 -10.337 -3.131 5.764 1.00 0.00 H new ATOM 75 N GLU A 456 -5.546 -2.256 7.091 1.00 0.00 N ATOM 76 CA GLU A 456 -4.094 -2.344 7.187 1.00 0.00 C ATOM 77 C GLU A 456 -3.608 -3.751 6.852 1.00 0.00 C ATOM 78 O GLU A 456 -2.576 -3.925 6.205 1.00 0.00 O ATOM 79 CB GLU A 456 -3.631 -1.954 8.592 1.00 0.00 C ATOM 80 CG GLU A 456 -2.119 -1.900 8.742 1.00 0.00 C ATOM 81 CD GLU A 456 -1.683 -1.598 10.164 1.00 0.00 C ATOM 82 OE1 GLU A 456 -2.560 -1.500 11.048 1.00 0.00 O ATOM 83 OE2 GLU A 456 -0.463 -1.461 10.393 1.00 0.00 O ATOM 0 H GLU A 456 -6.018 -2.088 7.980 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.666 -1.650 6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -4.048 -0.979 8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -4.034 -2.669 9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -1.693 -2.853 8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.718 -1.138 8.074 1.00 0.00 H new ATOM 90 N ASP A 457 -4.359 -4.753 7.298 1.00 0.00 N ATOM 91 CA ASP A 457 -4.004 -6.145 7.047 1.00 0.00 C ATOM 92 C ASP A 457 -3.942 -6.432 5.550 1.00 0.00 C ATOM 93 O ASP A 457 -3.078 -7.176 5.087 1.00 0.00 O ATOM 94 CB ASP A 457 -5.015 -7.079 7.715 1.00 0.00 C ATOM 95 CG ASP A 457 -4.583 -8.532 7.664 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.397 -8.790 7.369 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.432 -9.413 7.920 1.00 0.00 O ATOM 0 H ASP A 457 -5.217 -4.627 7.835 1.00 0.00 H new ATOM 0 HA ASP A 457 -3.017 -6.323 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -5.150 -6.780 8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -5.982 -6.973 7.224 1.00 0.00 H new ATOM 102 N ALA A 458 -4.864 -5.838 4.800 1.00 0.00 N ATOM 103 CA ALA A 458 -4.913 -6.032 3.355 1.00 0.00 C ATOM 104 C ALA A 458 -3.667 -5.469 2.681 1.00 0.00 C ATOM 105 O ALA A 458 -3.063 -6.121 1.829 1.00 0.00 O ATOM 106 CB ALA A 458 -6.165 -5.386 2.780 1.00 0.00 C ATOM 0 H ALA A 458 -5.587 -5.219 5.168 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.946 -7.104 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.190 -5.538 1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -7.048 -5.839 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.155 -4.318 2.996 1.00 0.00 H new ATOM 112 N VAL A 459 -3.289 -4.255 3.065 1.00 0.00 N ATOM 113 CA VAL A 459 -2.115 -3.604 2.496 1.00 0.00 C ATOM 114 C VAL A 459 -0.847 -4.397 2.799 1.00 0.00 C ATOM 115 O VAL A 459 -0.012 -4.611 1.920 1.00 0.00 O ATOM 116 CB VAL A 459 -1.952 -2.170 3.033 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.816 -1.454 2.317 1.00 0.00 C ATOM 118 CG2 VAL A 459 -3.253 -1.395 2.890 1.00 0.00 C ATOM 0 H VAL A 459 -3.779 -3.702 3.768 1.00 0.00 H new ATOM 0 HA VAL A 459 -2.266 -3.564 1.417 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.703 -2.227 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.718 -0.443 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.115 -1.998 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -1.031 -1.408 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -3.118 -0.384 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.535 -1.348 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -4.039 -1.896 3.455 1.00 0.00 H new ATOM 128 N ARG A 460 -0.710 -4.828 4.048 1.00 0.00 N ATOM 129 CA ARG A 460 0.456 -5.597 4.468 1.00 0.00 C ATOM 130 C ARG A 460 0.574 -6.891 3.668 1.00 0.00 C ATOM 131 O ARG A 460 1.676 -7.334 3.346 1.00 0.00 O ATOM 132 CB ARG A 460 0.372 -5.914 5.963 1.00 0.00 C ATOM 133 CG ARG A 460 1.600 -6.627 6.503 1.00 0.00 C ATOM 134 CD ARG A 460 1.491 -6.869 8.000 1.00 0.00 C ATOM 135 NE ARG A 460 0.468 -7.861 8.321 1.00 0.00 N ATOM 136 CZ ARG A 460 0.157 -8.231 9.561 1.00 0.00 C ATOM 137 NH1 ARG A 460 0.787 -7.693 10.599 1.00 0.00 N ATOM 138 NH2 ARG A 460 -0.786 -9.140 9.765 1.00 0.00 N ATOM 0 H ARG A 460 -1.392 -4.658 4.787 1.00 0.00 H new ATOM 0 HA ARG A 460 1.344 -4.994 4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 460 0.229 -4.985 6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.507 -6.532 6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.725 -7.579 5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.489 -6.032 6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 460 2.454 -7.204 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 460 1.257 -5.931 8.503 1.00 0.00 H new ATOM 0 HE ARG A 460 -0.038 -8.296 7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 460 1.513 -6.993 10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 460 0.545 -7.980 11.547 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -1.273 -9.556 8.971 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -1.024 -9.423 10.715 1.00 0.00 H new ATOM 152 N ARG A 461 -0.569 -7.492 3.354 1.00 0.00 N ATOM 153 CA ARG A 461 -0.594 -8.737 2.593 1.00 0.00 C ATOM 154 C ARG A 461 0.103 -8.572 1.246 1.00 0.00 C ATOM 155 O ARG A 461 0.848 -9.449 0.810 1.00 0.00 O ATOM 156 CB ARG A 461 -2.037 -9.198 2.379 1.00 0.00 C ATOM 157 CG ARG A 461 -2.148 -10.562 1.717 1.00 0.00 C ATOM 158 CD ARG A 461 -3.599 -10.957 1.496 1.00 0.00 C ATOM 159 NE ARG A 461 -3.723 -12.318 0.980 1.00 0.00 N ATOM 160 CZ ARG A 461 -3.475 -13.410 1.701 1.00 0.00 C ATOM 161 NH1 ARG A 461 -3.090 -13.304 2.967 1.00 0.00 N ATOM 162 NH2 ARG A 461 -3.612 -14.610 1.154 1.00 0.00 N ATOM 0 H ARG A 461 -1.489 -7.138 3.614 1.00 0.00 H new ATOM 0 HA ARG A 461 -0.057 -9.492 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.547 -9.228 3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -2.558 -8.462 1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.624 -10.548 0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -1.657 -11.310 2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -4.144 -10.875 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -4.062 -10.261 0.797 1.00 0.00 H new ATOM 0 HE ARG A 461 -4.017 -12.439 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -2.983 -12.383 3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -2.901 -14.144 3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -3.907 -14.696 0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -3.422 -15.447 1.706 1.00 0.00 H new ATOM 176 N TYR A 462 -0.145 -7.442 0.590 1.00 0.00 N ATOM 177 CA TYR A 462 0.459 -7.165 -0.708 1.00 0.00 C ATOM 178 C TYR A 462 1.955 -6.897 -0.571 1.00 0.00 C ATOM 179 O TYR A 462 2.761 -7.413 -1.346 1.00 0.00 O ATOM 180 CB TYR A 462 -0.226 -5.966 -1.366 1.00 0.00 C ATOM 181 CG TYR A 462 -1.695 -6.187 -1.650 1.00 0.00 C ATOM 182 CD1 TYR A 462 -2.105 -6.962 -2.727 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.671 -5.620 -0.840 1.00 0.00 C ATOM 184 CE1 TYR A 462 -3.447 -7.166 -2.990 1.00 0.00 C ATOM 185 CE2 TYR A 462 -4.015 -5.820 -1.096 1.00 0.00 C ATOM 186 CZ TYR A 462 -4.397 -6.593 -2.172 1.00 0.00 C ATOM 187 OH TYR A 462 -5.734 -6.794 -2.430 1.00 0.00 O ATOM 0 H TYR A 462 -0.759 -6.705 0.936 1.00 0.00 H new ATOM 0 HA TYR A 462 0.324 -8.045 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -0.117 -5.096 -0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.285 -5.734 -2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -1.363 -7.413 -3.370 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.375 -5.013 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.749 -7.771 -3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.762 -5.373 -0.456 1.00 0.00 H new ATOM 0 HH TYR A 462 -6.271 -6.323 -1.759 1.00 0.00 H new ATOM 197 N LEU A 463 2.319 -6.086 0.417 1.00 0.00 N ATOM 198 CA LEU A 463 3.718 -5.748 0.653 1.00 0.00 C ATOM 199 C LEU A 463 4.514 -6.978 1.078 1.00 0.00 C ATOM 200 O LEU A 463 5.680 -7.131 0.714 1.00 0.00 O ATOM 201 CB LEU A 463 3.828 -4.660 1.721 1.00 0.00 C ATOM 202 CG LEU A 463 3.373 -3.269 1.276 1.00 0.00 C ATOM 203 CD1 LEU A 463 2.931 -2.443 2.473 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.488 -2.562 0.520 1.00 0.00 C ATOM 0 H LEU A 463 1.665 -5.651 1.067 1.00 0.00 H new ATOM 0 HA LEU A 463 4.137 -5.374 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.236 -4.960 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 463 4.865 -4.599 2.050 1.00 0.00 H new ATOM 0 HG LEU A 463 2.521 -3.383 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 463 2.611 -1.457 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 463 2.101 -2.943 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 463 3.763 -2.336 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.148 -1.574 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.359 -2.460 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.757 -3.145 -0.361 1.00 0.00 H new ATOM 216 N THR A 464 3.878 -7.852 1.850 1.00 0.00 N ATOM 217 CA THR A 464 4.527 -9.066 2.324 1.00 0.00 C ATOM 218 C THR A 464 4.900 -9.975 1.158 1.00 0.00 C ATOM 219 O THR A 464 5.878 -10.720 1.228 1.00 0.00 O ATOM 220 CB THR A 464 3.609 -9.810 3.294 1.00 0.00 C ATOM 221 OG1 THR A 464 2.273 -9.819 2.819 1.00 0.00 O ATOM 222 CG2 THR A 464 3.603 -9.217 4.688 1.00 0.00 C ATOM 0 H THR A 464 2.913 -7.741 2.160 1.00 0.00 H new ATOM 0 HA THR A 464 5.442 -8.782 2.844 1.00 0.00 H new ATOM 0 HB THR A 464 4.010 -10.822 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.273 -9.770 1.840 1.00 0.00 H new ATOM 0 HG21 THR A 464 2.931 -9.792 5.325 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.611 -9.249 5.101 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.262 -8.183 4.642 1.00 0.00 H new ATOM 230 N ARG A 465 4.117 -9.909 0.086 1.00 0.00 N ATOM 231 CA ARG A 465 4.368 -10.727 -1.095 1.00 0.00 C ATOM 232 C ARG A 465 5.621 -10.259 -1.823 1.00 0.00 C ATOM 233 O ARG A 465 6.612 -10.984 -1.909 1.00 0.00 O ATOM 234 CB ARG A 465 3.166 -10.680 -2.040 1.00 0.00 C ATOM 235 CG ARG A 465 1.917 -11.331 -1.469 1.00 0.00 C ATOM 236 CD ARG A 465 1.990 -12.847 -1.556 1.00 0.00 C ATOM 237 NE ARG A 465 2.873 -13.412 -0.538 1.00 0.00 N ATOM 238 CZ ARG A 465 3.318 -14.667 -0.556 1.00 0.00 C ATOM 239 NH1 ARG A 465 2.962 -15.490 -1.534 1.00 0.00 N ATOM 240 NH2 ARG A 465 4.120 -15.099 0.407 1.00 0.00 N ATOM 0 H ARG A 465 3.304 -9.298 0.011 1.00 0.00 H new ATOM 0 HA ARG A 465 4.522 -11.755 -0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.945 -9.640 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.429 -11.176 -2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 465 1.792 -11.031 -0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 465 1.040 -10.976 -2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 465 0.990 -13.265 -1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 465 2.345 -13.137 -2.545 1.00 0.00 H new ATOM 0 HE ARG A 465 3.166 -12.810 0.231 1.00 0.00 H new ATOM 0 HH11 ARG A 465 2.345 -15.162 -2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 465 3.306 -16.450 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 465 4.396 -14.470 1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 465 4.461 -16.060 0.394 1.00 0.00 H new ATOM 254 N LYS A 466 5.567 -9.041 -2.344 1.00 0.00 N ATOM 255 CA LYS A 466 6.695 -8.465 -3.067 1.00 0.00 C ATOM 256 C LYS A 466 6.773 -6.957 -2.839 1.00 0.00 C ATOM 257 O LYS A 466 5.748 -6.292 -2.686 1.00 0.00 O ATOM 258 CB LYS A 466 6.574 -8.762 -4.563 1.00 0.00 C ATOM 259 CG LYS A 466 7.903 -9.073 -5.231 1.00 0.00 C ATOM 260 CD LYS A 466 7.734 -10.061 -6.374 1.00 0.00 C ATOM 261 CE LYS A 466 7.342 -11.439 -5.865 1.00 0.00 C ATOM 262 NZ LYS A 466 8.514 -12.355 -5.786 1.00 0.00 N ATOM 0 H LYS A 466 4.752 -8.430 -2.280 1.00 0.00 H new ATOM 0 HA LYS A 466 7.610 -8.920 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 466 5.900 -9.607 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 466 6.119 -7.905 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 466 8.347 -8.151 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 466 8.595 -9.482 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 466 6.972 -9.696 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 466 8.665 -10.131 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 466 6.887 -11.346 -4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 466 6.589 -11.869 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 8.205 -13.284 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 8.934 -12.464 -6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 9.222 -11.957 -5.137 1.00 0.00 H new ATOM 276 N PRO A 467 7.994 -6.394 -2.812 1.00 0.00 N ATOM 277 CA PRO A 467 8.195 -4.956 -2.601 1.00 0.00 C ATOM 278 C PRO A 467 7.437 -4.111 -3.620 1.00 0.00 C ATOM 279 O PRO A 467 7.520 -4.352 -4.825 1.00 0.00 O ATOM 280 CB PRO A 467 9.706 -4.772 -2.775 1.00 0.00 C ATOM 281 CG PRO A 467 10.290 -6.115 -2.508 1.00 0.00 C ATOM 282 CD PRO A 467 9.271 -7.111 -2.984 1.00 0.00 C ATOM 0 HA PRO A 467 7.824 -4.634 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.949 -4.429 -3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 467 10.096 -4.027 -2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 467 11.235 -6.241 -3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.498 -6.246 -1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.438 -7.392 -4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.300 -8.029 -2.397 1.00 0.00 H new ATOM 290 N MET A 468 6.700 -3.120 -3.130 1.00 0.00 N ATOM 291 CA MET A 468 5.929 -2.239 -4.001 1.00 0.00 C ATOM 292 C MET A 468 6.071 -0.784 -3.568 1.00 0.00 C ATOM 293 O MET A 468 6.490 -0.497 -2.447 1.00 0.00 O ATOM 294 CB MET A 468 4.454 -2.643 -3.995 1.00 0.00 C ATOM 295 CG MET A 468 4.204 -4.042 -4.532 1.00 0.00 C ATOM 296 SD MET A 468 2.457 -4.366 -4.841 1.00 0.00 S ATOM 297 CE MET A 468 1.750 -3.956 -3.248 1.00 0.00 C ATOM 0 H MET A 468 6.620 -2.906 -2.136 1.00 0.00 H new ATOM 0 HA MET A 468 6.321 -2.338 -5.013 1.00 0.00 H new ATOM 0 HB2 MET A 468 4.073 -2.581 -2.976 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.888 -1.928 -4.591 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.764 -4.177 -5.458 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.585 -4.774 -3.820 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.664 -3.916 -3.331 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.030 -4.716 -2.519 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.125 -2.986 -2.922 1.00 0.00 H new ATOM 307 N THR A 469 5.716 0.131 -4.464 1.00 0.00 N ATOM 308 CA THR A 469 5.801 1.558 -4.176 1.00 0.00 C ATOM 309 C THR A 469 4.431 2.119 -3.807 1.00 0.00 C ATOM 310 O THR A 469 3.417 1.430 -3.919 1.00 0.00 O ATOM 311 CB THR A 469 6.366 2.310 -5.382 1.00 0.00 C ATOM 312 OG1 THR A 469 5.418 2.357 -6.433 1.00 0.00 O ATOM 313 CG2 THR A 469 7.633 1.693 -5.933 1.00 0.00 C ATOM 0 H THR A 469 5.366 -0.091 -5.396 1.00 0.00 H new ATOM 0 HA THR A 469 6.471 1.694 -3.327 1.00 0.00 H new ATOM 0 HB THR A 469 6.599 3.310 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 469 5.798 2.843 -7.194 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.980 2.275 -6.786 1.00 0.00 H new ATOM 0 HG22 THR A 469 8.402 1.689 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 469 7.431 0.670 -6.250 1.00 0.00 H new ATOM 321 N THR A 470 4.408 3.373 -3.367 1.00 0.00 N ATOM 322 CA THR A 470 3.162 4.026 -2.981 1.00 0.00 C ATOM 323 C THR A 470 2.160 4.013 -4.131 1.00 0.00 C ATOM 324 O THR A 470 0.985 3.695 -3.941 1.00 0.00 O ATOM 325 CB THR A 470 3.431 5.466 -2.542 1.00 0.00 C ATOM 326 OG1 THR A 470 4.128 6.175 -3.551 1.00 0.00 O ATOM 327 CG2 THR A 470 4.243 5.562 -1.268 1.00 0.00 C ATOM 0 H THR A 470 5.238 3.957 -3.269 1.00 0.00 H new ATOM 0 HA THR A 470 2.736 3.471 -2.145 1.00 0.00 H new ATOM 0 HB THR A 470 2.448 5.901 -2.360 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.289 7.094 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.398 6.610 -1.013 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.708 5.067 -0.458 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.209 5.078 -1.415 1.00 0.00 H new ATOM 335 N LYS A 471 2.632 4.360 -5.324 1.00 0.00 N ATOM 336 CA LYS A 471 1.778 4.388 -6.505 1.00 0.00 C ATOM 337 C LYS A 471 1.198 3.006 -6.791 1.00 0.00 C ATOM 338 O LYS A 471 0.036 2.876 -7.174 1.00 0.00 O ATOM 339 CB LYS A 471 2.567 4.883 -7.718 1.00 0.00 C ATOM 340 CG LYS A 471 1.715 5.065 -8.964 1.00 0.00 C ATOM 341 CD LYS A 471 2.555 5.501 -10.154 1.00 0.00 C ATOM 342 CE LYS A 471 1.687 5.828 -11.358 1.00 0.00 C ATOM 343 NZ LYS A 471 0.990 4.622 -11.884 1.00 0.00 N ATOM 0 H LYS A 471 3.601 4.626 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 471 0.954 5.075 -6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.041 5.833 -7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.367 4.175 -7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.207 4.129 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 471 0.941 5.808 -8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.147 6.375 -9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.257 4.709 -10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 471 0.950 6.581 -11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 471 2.305 6.262 -12.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 0.476 4.870 -12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 1.689 3.881 -12.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 0.317 4.272 -11.172 1.00 0.00 H new ATOM 357 N ASP A 472 2.017 1.976 -6.602 1.00 0.00 N ATOM 358 CA ASP A 472 1.586 0.603 -6.839 1.00 0.00 C ATOM 359 C ASP A 472 0.402 0.241 -5.949 1.00 0.00 C ATOM 360 O ASP A 472 -0.506 -0.477 -6.368 1.00 0.00 O ATOM 361 CB ASP A 472 2.742 -0.368 -6.589 1.00 0.00 C ATOM 362 CG ASP A 472 3.866 -0.202 -7.593 1.00 0.00 C ATOM 363 OD1 ASP A 472 3.635 0.433 -8.644 1.00 0.00 O ATOM 364 OD2 ASP A 472 4.977 -0.707 -7.329 1.00 0.00 O ATOM 0 H ASP A 472 2.982 2.066 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 472 1.272 0.524 -7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.132 -0.213 -5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.369 -1.391 -6.632 1.00 0.00 H new ATOM 369 N LEU A 473 0.419 0.744 -4.721 1.00 0.00 N ATOM 370 CA LEU A 473 -0.653 0.475 -3.769 1.00 0.00 C ATOM 371 C LEU A 473 -1.989 0.992 -4.293 1.00 0.00 C ATOM 372 O LEU A 473 -3.027 0.359 -4.106 1.00 0.00 O ATOM 373 CB LEU A 473 -0.338 1.120 -2.418 1.00 0.00 C ATOM 374 CG LEU A 473 0.986 0.685 -1.786 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.164 1.335 -0.423 1.00 0.00 C ATOM 376 CD2 LEU A 473 1.047 -0.830 -1.669 1.00 0.00 C ATOM 0 H LEU A 473 1.163 1.341 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.727 -0.605 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.325 2.203 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.147 0.889 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 473 1.801 1.013 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.111 1.015 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.164 2.419 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.345 1.038 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.995 -1.122 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 473 0.225 -1.180 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.965 -1.275 -2.661 1.00 0.00 H new ATOM 388 N LEU A 474 -1.954 2.147 -4.950 1.00 0.00 N ATOM 389 CA LEU A 474 -3.162 2.749 -5.501 1.00 0.00 C ATOM 390 C LEU A 474 -3.787 1.846 -6.559 1.00 0.00 C ATOM 391 O LEU A 474 -5.009 1.760 -6.674 1.00 0.00 O ATOM 392 CB LEU A 474 -2.845 4.119 -6.105 1.00 0.00 C ATOM 393 CG LEU A 474 -2.222 5.125 -5.136 1.00 0.00 C ATOM 394 CD1 LEU A 474 -2.027 6.471 -5.816 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.089 5.275 -3.894 1.00 0.00 C ATOM 0 H LEU A 474 -1.102 2.684 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.878 2.875 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.166 3.980 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -3.765 4.545 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.245 4.750 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.583 7.174 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -1.367 6.352 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.992 6.853 -6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -2.631 5.994 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -4.079 5.628 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -3.178 4.311 -3.394 1.00 0.00 H new ATOM 407 N LYS A 475 -2.939 1.174 -7.331 1.00 0.00 N ATOM 408 CA LYS A 475 -3.407 0.276 -8.381 1.00 0.00 C ATOM 409 C LYS A 475 -4.265 -0.842 -7.798 1.00 0.00 C ATOM 410 O LYS A 475 -5.224 -1.293 -8.424 1.00 0.00 O ATOM 411 CB LYS A 475 -2.219 -0.319 -9.139 1.00 0.00 C ATOM 412 CG LYS A 475 -1.403 0.714 -9.899 1.00 0.00 C ATOM 413 CD LYS A 475 -0.306 0.061 -10.724 1.00 0.00 C ATOM 414 CE LYS A 475 0.581 1.098 -11.391 1.00 0.00 C ATOM 415 NZ LYS A 475 -0.014 1.606 -12.658 1.00 0.00 N ATOM 0 H LYS A 475 -1.924 1.234 -7.249 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.018 0.855 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -1.569 -0.835 -8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -2.585 -1.069 -9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.059 1.288 -10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -0.960 1.418 -9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 475 0.300 -0.580 -10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -0.753 -0.580 -11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 475 0.743 1.931 -10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 475 1.558 0.661 -11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 0.622 2.311 -13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -0.146 0.816 -13.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -0.935 2.046 -12.457 1.00 0.00 H new ATOM 429 N LYS A 476 -3.912 -1.286 -6.596 1.00 0.00 N ATOM 430 CA LYS A 476 -4.649 -2.352 -5.928 1.00 0.00 C ATOM 431 C LYS A 476 -6.086 -1.928 -5.643 1.00 0.00 C ATOM 432 O LYS A 476 -7.003 -2.749 -5.668 1.00 0.00 O ATOM 433 CB LYS A 476 -3.952 -2.742 -4.624 1.00 0.00 C ATOM 434 CG LYS A 476 -2.505 -3.169 -4.811 1.00 0.00 C ATOM 435 CD LYS A 476 -2.399 -4.411 -5.681 1.00 0.00 C ATOM 436 CE LYS A 476 -0.972 -4.933 -5.736 1.00 0.00 C ATOM 437 NZ LYS A 476 -0.284 -4.539 -6.997 1.00 0.00 N ATOM 0 H LYS A 476 -3.120 -0.924 -6.065 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.671 -3.215 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.987 -1.897 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -4.505 -3.557 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -1.940 -2.355 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -2.054 -3.365 -3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.057 -5.187 -5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.742 -4.180 -6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -0.412 -4.550 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -0.980 -6.020 -5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 0.725 -4.375 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -0.384 -5.300 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -0.712 -3.667 -7.368 1.00 0.00 H new ATOM 451 N PHE A 477 -6.275 -0.640 -5.371 1.00 0.00 N ATOM 452 CA PHE A 477 -7.601 -0.107 -5.080 1.00 0.00 C ATOM 453 C PHE A 477 -8.088 0.795 -6.211 1.00 0.00 C ATOM 454 O PHE A 477 -8.280 1.996 -6.023 1.00 0.00 O ATOM 455 CB PHE A 477 -7.582 0.669 -3.762 1.00 0.00 C ATOM 456 CG PHE A 477 -7.271 -0.185 -2.566 1.00 0.00 C ATOM 457 CD1 PHE A 477 -8.282 -0.851 -1.893 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.968 -0.322 -2.116 1.00 0.00 C ATOM 459 CE1 PHE A 477 -8.000 -1.638 -0.793 1.00 0.00 C ATOM 460 CE2 PHE A 477 -5.679 -1.108 -1.016 1.00 0.00 C ATOM 461 CZ PHE A 477 -6.696 -1.767 -0.354 1.00 0.00 C ATOM 0 H PHE A 477 -5.527 0.053 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 477 -8.291 -0.946 -4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.843 1.467 -3.830 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.552 1.145 -3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.303 -0.754 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.169 0.191 -2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -8.798 -2.152 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -4.659 -1.206 -0.675 1.00 0.00 H new ATOM 0 HZ PHE A 477 -6.473 -2.382 0.505 1.00 0.00 H new ATOM 471 N GLN A 478 -8.287 0.207 -7.386 1.00 0.00 N ATOM 472 CA GLN A 478 -8.752 0.957 -8.547 1.00 0.00 C ATOM 473 C GLN A 478 -10.230 0.689 -8.812 1.00 0.00 C ATOM 474 O GLN A 478 -11.059 1.595 -8.736 1.00 0.00 O ATOM 475 CB GLN A 478 -7.926 0.593 -9.782 1.00 0.00 C ATOM 476 CG GLN A 478 -6.517 1.162 -9.760 1.00 0.00 C ATOM 477 CD GLN A 478 -5.739 0.841 -11.021 1.00 0.00 C ATOM 478 OE1 GLN A 478 -5.796 1.578 -12.004 1.00 0.00 O ATOM 479 NE2 GLN A 478 -5.006 -0.266 -10.998 1.00 0.00 N ATOM 0 H GLN A 478 -8.134 -0.786 -7.559 1.00 0.00 H new ATOM 0 HA GLN A 478 -8.626 2.019 -8.335 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.869 -0.492 -9.864 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -8.441 0.954 -10.673 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -6.568 2.244 -9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -5.982 0.765 -8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -4.988 -0.848 -10.161 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -4.461 -0.534 -11.818 1.00 0.00 H new ATOM 488 N THR A 479 -10.553 -0.562 -9.126 1.00 0.00 N ATOM 489 CA THR A 479 -11.931 -0.949 -9.405 1.00 0.00 C ATOM 490 C THR A 479 -12.505 -1.790 -8.268 1.00 0.00 C ATOM 491 O THR A 479 -13.396 -2.612 -8.481 1.00 0.00 O ATOM 492 CB THR A 479 -12.007 -1.728 -10.719 1.00 0.00 C ATOM 493 OG1 THR A 479 -11.305 -2.954 -10.616 1.00 0.00 O ATOM 494 CG2 THR A 479 -11.437 -0.970 -11.898 1.00 0.00 C ATOM 0 H THR A 479 -9.879 -1.325 -9.193 1.00 0.00 H new ATOM 0 HA THR A 479 -12.525 -0.039 -9.493 1.00 0.00 H new ATOM 0 HB THR A 479 -13.070 -1.895 -10.895 1.00 0.00 H new ATOM 0 HG1 THR A 479 -11.367 -3.439 -11.466 1.00 0.00 H new ATOM 0 HG21 THR A 479 -11.522 -1.579 -12.798 1.00 0.00 H new ATOM 0 HG22 THR A 479 -11.990 -0.041 -12.035 1.00 0.00 H new ATOM 0 HG23 THR A 479 -10.387 -0.743 -11.712 1.00 0.00 H new ATOM 502 N LYS A 480 -11.990 -1.579 -7.061 1.00 0.00 N ATOM 503 CA LYS A 480 -12.455 -2.318 -5.893 1.00 0.00 C ATOM 504 C LYS A 480 -13.780 -1.758 -5.388 1.00 0.00 C ATOM 505 O LYS A 480 -13.977 -0.543 -5.349 1.00 0.00 O ATOM 506 CB LYS A 480 -11.407 -2.267 -4.779 1.00 0.00 C ATOM 507 CG LYS A 480 -11.695 -3.218 -3.629 1.00 0.00 C ATOM 508 CD LYS A 480 -10.645 -3.103 -2.536 1.00 0.00 C ATOM 509 CE LYS A 480 -10.825 -4.178 -1.476 1.00 0.00 C ATOM 510 NZ LYS A 480 -10.529 -5.537 -2.007 1.00 0.00 N ATOM 0 H LYS A 480 -11.251 -0.903 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 480 -12.609 -3.356 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -10.430 -2.504 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -11.349 -1.250 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -12.679 -3.001 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -11.724 -4.242 -4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -9.651 -3.186 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -10.707 -2.119 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -10.169 -3.968 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -11.848 -4.150 -1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -10.397 -6.198 -1.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -11.322 -5.859 -2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -9.661 -5.505 -2.579 1.00 0.00 H new ATOM 524 N LYS A 481 -14.686 -2.650 -5.002 1.00 0.00 N ATOM 525 CA LYS A 481 -15.994 -2.244 -4.499 1.00 0.00 C ATOM 526 C LYS A 481 -15.872 -1.597 -3.122 1.00 0.00 C ATOM 527 O LYS A 481 -16.362 -2.133 -2.127 1.00 0.00 O ATOM 528 CB LYS A 481 -16.934 -3.449 -4.432 1.00 0.00 C ATOM 529 CG LYS A 481 -17.075 -4.185 -5.754 1.00 0.00 C ATOM 530 CD LYS A 481 -17.703 -3.301 -6.819 1.00 0.00 C ATOM 531 CE LYS A 481 -18.002 -4.084 -8.087 1.00 0.00 C ATOM 532 NZ LYS A 481 -18.307 -3.187 -9.236 1.00 0.00 N ATOM 0 H LYS A 481 -14.539 -3.659 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 481 -16.409 -1.508 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -16.567 -4.144 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -17.918 -3.114 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -16.094 -4.522 -6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -17.687 -5.076 -5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -18.624 -2.864 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -17.031 -2.475 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -17.147 -4.713 -8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -18.847 -4.749 -7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -18.505 -3.760 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -19.138 -2.604 -9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -17.491 -2.569 -9.420 1.00 0.00 H new ATOM 546 N THR A 482 -15.216 -0.442 -3.072 1.00 0.00 N ATOM 547 CA THR A 482 -15.031 0.278 -1.818 1.00 0.00 C ATOM 548 C THR A 482 -15.881 1.545 -1.786 1.00 0.00 C ATOM 549 O THR A 482 -16.290 2.003 -0.719 1.00 0.00 O ATOM 550 CB THR A 482 -13.557 0.635 -1.623 1.00 0.00 C ATOM 551 OG1 THR A 482 -13.131 1.561 -2.607 1.00 0.00 O ATOM 552 CG2 THR A 482 -12.637 -0.565 -1.692 1.00 0.00 C ATOM 0 H THR A 482 -14.804 0.015 -3.885 1.00 0.00 H new ATOM 0 HA THR A 482 -15.351 -0.373 -1.005 1.00 0.00 H new ATOM 0 HB THR A 482 -13.493 1.064 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 482 -12.186 1.778 -2.464 1.00 0.00 H new ATOM 0 HG21 THR A 482 -11.606 -0.242 -1.546 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.908 -1.277 -0.912 1.00 0.00 H new ATOM 0 HG23 THR A 482 -12.733 -1.041 -2.668 1.00 0.00 H new ATOM 560 N GLY A 483 -16.142 2.107 -2.962 1.00 0.00 N ATOM 561 CA GLY A 483 -16.941 3.315 -3.046 1.00 0.00 C ATOM 562 C GLY A 483 -16.150 4.562 -2.700 1.00 0.00 C ATOM 563 O GLY A 483 -16.723 5.582 -2.316 1.00 0.00 O ATOM 0 H GLY A 483 -15.814 1.747 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -17.342 3.412 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.793 3.231 -2.371 1.00 0.00 H new ATOM 567 N LEU A 484 -14.830 4.483 -2.836 1.00 0.00 N ATOM 568 CA LEU A 484 -13.961 5.615 -2.535 1.00 0.00 C ATOM 569 C LEU A 484 -13.164 6.032 -3.767 1.00 0.00 C ATOM 570 O LEU A 484 -12.700 5.188 -4.534 1.00 0.00 O ATOM 571 CB LEU A 484 -13.006 5.263 -1.392 1.00 0.00 C ATOM 572 CG LEU A 484 -13.683 4.776 -0.110 1.00 0.00 C ATOM 573 CD1 LEU A 484 -12.650 4.528 0.978 1.00 0.00 C ATOM 574 CD2 LEU A 484 -14.721 5.785 0.359 1.00 0.00 C ATOM 0 H LEU A 484 -14.339 3.647 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.590 6.452 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -12.319 4.491 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.406 6.142 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 484 -14.189 3.834 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -13.150 4.182 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -11.943 3.770 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -12.116 5.454 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -15.193 5.423 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -14.236 6.741 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -15.478 5.914 -0.414 1.00 0.00 H new ATOM 586 N SER A 485 -13.009 7.339 -3.951 1.00 0.00 N ATOM 587 CA SER A 485 -12.268 7.868 -5.090 1.00 0.00 C ATOM 588 C SER A 485 -10.804 7.443 -5.029 1.00 0.00 C ATOM 589 O SER A 485 -10.279 7.142 -3.958 1.00 0.00 O ATOM 590 CB SER A 485 -12.367 9.394 -5.126 1.00 0.00 C ATOM 591 OG SER A 485 -13.719 9.817 -5.181 1.00 0.00 O ATOM 0 H SER A 485 -13.387 8.051 -3.326 1.00 0.00 H new ATOM 0 HA SER A 485 -12.709 7.461 -6.000 1.00 0.00 H new ATOM 0 HB2 SER A 485 -11.887 9.814 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 485 -11.828 9.776 -5.993 1.00 0.00 H new ATOM 0 HG SER A 485 -13.755 10.796 -5.201 1.00 0.00 H new ATOM 597 N SER A 486 -10.151 7.420 -6.187 1.00 0.00 N ATOM 598 CA SER A 486 -8.748 7.031 -6.265 1.00 0.00 C ATOM 599 C SER A 486 -7.881 7.941 -5.400 1.00 0.00 C ATOM 600 O SER A 486 -6.945 7.483 -4.743 1.00 0.00 O ATOM 601 CB SER A 486 -8.264 7.076 -7.715 1.00 0.00 C ATOM 602 OG SER A 486 -9.089 6.285 -8.553 1.00 0.00 O ATOM 0 H SER A 486 -10.571 7.666 -7.083 1.00 0.00 H new ATOM 0 HA SER A 486 -8.659 6.011 -5.891 1.00 0.00 H new ATOM 0 HB2 SER A 486 -8.262 8.107 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 486 -7.236 6.719 -7.770 1.00 0.00 H new ATOM 0 HG SER A 486 -8.760 6.332 -9.475 1.00 0.00 H new ATOM 608 N GLU A 487 -8.199 9.232 -5.403 1.00 0.00 N ATOM 609 CA GLU A 487 -7.449 10.206 -4.618 1.00 0.00 C ATOM 610 C GLU A 487 -7.640 9.963 -3.124 1.00 0.00 C ATOM 611 O GLU A 487 -6.697 10.081 -2.341 1.00 0.00 O ATOM 612 CB GLU A 487 -7.889 11.627 -4.976 1.00 0.00 C ATOM 613 CG GLU A 487 -7.065 12.707 -4.294 1.00 0.00 C ATOM 614 CD GLU A 487 -5.642 12.770 -4.813 1.00 0.00 C ATOM 615 OE1 GLU A 487 -5.410 12.343 -5.964 1.00 0.00 O ATOM 616 OE2 GLU A 487 -4.759 13.246 -4.069 1.00 0.00 O ATOM 0 H GLU A 487 -8.971 9.628 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 487 -6.391 10.090 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -7.823 11.758 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -8.937 11.754 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -7.545 13.674 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -7.048 12.522 -3.220 1.00 0.00 H new ATOM 623 N GLN A 488 -8.865 9.624 -2.736 1.00 0.00 N ATOM 624 CA GLN A 488 -9.179 9.364 -1.336 1.00 0.00 C ATOM 625 C GLN A 488 -8.373 8.182 -0.807 1.00 0.00 C ATOM 626 O GLN A 488 -7.963 8.168 0.354 1.00 0.00 O ATOM 627 CB GLN A 488 -10.675 9.093 -1.169 1.00 0.00 C ATOM 628 CG GLN A 488 -11.551 10.291 -1.495 1.00 0.00 C ATOM 629 CD GLN A 488 -13.031 9.979 -1.386 1.00 0.00 C ATOM 630 OE1 GLN A 488 -13.430 8.815 -1.355 1.00 0.00 O ATOM 631 NE2 GLN A 488 -13.853 11.020 -1.328 1.00 0.00 N ATOM 0 H GLN A 488 -9.656 9.523 -3.371 1.00 0.00 H new ATOM 0 HA GLN A 488 -8.911 10.249 -0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -10.959 8.260 -1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -10.867 8.782 -0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.306 11.110 -0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -11.329 10.634 -2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -13.478 11.968 -1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -14.859 10.872 -1.255 1.00 0.00 H new ATOM 640 N THR A 489 -8.151 7.192 -1.665 1.00 0.00 N ATOM 641 CA THR A 489 -7.395 6.005 -1.284 1.00 0.00 C ATOM 642 C THR A 489 -5.988 6.378 -0.827 1.00 0.00 C ATOM 643 O THR A 489 -5.457 5.797 0.119 1.00 0.00 O ATOM 644 CB THR A 489 -7.320 5.025 -2.456 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.616 4.711 -2.931 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.632 3.723 -2.104 1.00 0.00 C ATOM 0 H THR A 489 -8.484 7.188 -2.629 1.00 0.00 H new ATOM 0 HA THR A 489 -7.912 5.527 -0.452 1.00 0.00 H new ATOM 0 HB THR A 489 -6.732 5.533 -3.220 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.001 5.496 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.613 3.074 -2.979 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.611 3.927 -1.781 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.176 3.230 -1.298 1.00 0.00 H new ATOM 654 N VAL A 490 -5.389 7.351 -1.507 1.00 0.00 N ATOM 655 CA VAL A 490 -4.044 7.801 -1.171 1.00 0.00 C ATOM 656 C VAL A 490 -3.992 8.362 0.247 1.00 0.00 C ATOM 657 O VAL A 490 -3.050 8.099 0.995 1.00 0.00 O ATOM 658 CB VAL A 490 -3.549 8.877 -2.157 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.102 9.246 -1.868 1.00 0.00 C ATOM 660 CG2 VAL A 490 -3.709 8.400 -3.593 1.00 0.00 C ATOM 0 H VAL A 490 -5.814 7.842 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.392 6.931 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.159 9.771 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -1.772 10.007 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.021 9.635 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.474 8.361 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -3.354 9.173 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.127 7.490 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -4.761 8.194 -3.793 1.00 0.00 H new ATOM 670 N ASN A 491 -5.009 9.137 0.609 1.00 0.00 N ATOM 671 CA ASN A 491 -5.078 9.736 1.937 1.00 0.00 C ATOM 672 C ASN A 491 -5.083 8.662 3.020 1.00 0.00 C ATOM 673 O ASN A 491 -4.422 8.801 4.049 1.00 0.00 O ATOM 674 CB ASN A 491 -6.329 10.608 2.061 1.00 0.00 C ATOM 675 CG ASN A 491 -6.336 11.754 1.068 1.00 0.00 C ATOM 676 OD1 ASN A 491 -7.312 11.960 0.347 1.00 0.00 O ATOM 677 ND2 ASN A 491 -5.243 12.507 1.026 1.00 0.00 N ATOM 0 H ASN A 491 -5.796 9.365 0.002 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.194 10.359 2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -7.215 9.992 1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -6.391 11.008 3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -5.189 13.293 0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -4.457 12.300 1.642 1.00 0.00 H new ATOM 684 N VAL A 492 -5.833 7.591 2.782 1.00 0.00 N ATOM 685 CA VAL A 492 -5.922 6.493 3.737 1.00 0.00 C ATOM 686 C VAL A 492 -4.608 5.723 3.812 1.00 0.00 C ATOM 687 O VAL A 492 -4.131 5.393 4.898 1.00 0.00 O ATOM 688 CB VAL A 492 -7.057 5.517 3.368 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.216 4.450 4.441 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.362 6.270 3.157 1.00 0.00 C ATOM 0 H VAL A 492 -6.388 7.460 1.936 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.137 6.936 4.710 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.795 5.022 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.022 3.771 4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.286 3.889 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.454 4.924 5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.151 5.564 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.632 6.795 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.239 6.991 2.349 1.00 0.00 H new ATOM 700 N LEU A 493 -4.028 5.440 2.651 1.00 0.00 N ATOM 701 CA LEU A 493 -2.768 4.708 2.584 1.00 0.00 C ATOM 702 C LEU A 493 -1.648 5.486 3.267 1.00 0.00 C ATOM 703 O LEU A 493 -0.823 4.910 3.977 1.00 0.00 O ATOM 704 CB LEU A 493 -2.395 4.427 1.127 1.00 0.00 C ATOM 705 CG LEU A 493 -2.919 3.103 0.569 1.00 0.00 C ATOM 706 CD1 LEU A 493 -3.150 3.210 -0.930 1.00 0.00 C ATOM 707 CD2 LEU A 493 -1.948 1.974 0.882 1.00 0.00 C ATOM 0 H LEU A 493 -4.410 5.706 1.743 1.00 0.00 H new ATOM 0 HA LEU A 493 -2.899 3.761 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.774 5.240 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -1.309 4.437 1.037 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.873 2.880 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -3.523 2.259 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.882 3.992 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.211 3.456 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.335 1.039 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -0.980 2.191 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.832 1.883 1.962 1.00 0.00 H new ATOM 719 N ALA A 494 -1.623 6.795 3.045 1.00 0.00 N ATOM 720 CA ALA A 494 -0.601 7.651 3.637 1.00 0.00 C ATOM 721 C ALA A 494 -0.612 7.553 5.159 1.00 0.00 C ATOM 722 O ALA A 494 0.436 7.609 5.801 1.00 0.00 O ATOM 723 CB ALA A 494 -0.802 9.093 3.198 1.00 0.00 C ATOM 0 H ALA A 494 -2.298 7.287 2.460 1.00 0.00 H new ATOM 0 HA ALA A 494 0.372 7.307 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.032 9.721 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.733 9.156 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.785 9.438 3.520 1.00 0.00 H new ATOM 729 N GLN A 495 -1.802 7.409 5.729 1.00 0.00 N ATOM 730 CA GLN A 495 -1.949 7.306 7.176 1.00 0.00 C ATOM 731 C GLN A 495 -1.680 5.882 7.655 1.00 0.00 C ATOM 732 O GLN A 495 -0.924 5.666 8.602 1.00 0.00 O ATOM 733 CB GLN A 495 -3.353 7.741 7.599 1.00 0.00 C ATOM 734 CG GLN A 495 -3.646 9.206 7.317 1.00 0.00 C ATOM 735 CD GLN A 495 -5.062 9.599 7.690 1.00 0.00 C ATOM 736 OE1 GLN A 495 -5.932 8.744 7.859 1.00 0.00 O ATOM 737 NE2 GLN A 495 -5.300 10.899 7.820 1.00 0.00 N ATOM 0 H GLN A 495 -2.680 7.361 5.211 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.215 7.968 7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.087 7.125 7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.477 7.553 8.665 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.942 9.827 7.872 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.484 9.408 6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -4.549 11.572 7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -6.234 11.224 8.069 1.00 0.00 H new ATOM 746 N ILE A 496 -2.310 4.914 6.997 1.00 0.00 N ATOM 747 CA ILE A 496 -2.145 3.510 7.356 1.00 0.00 C ATOM 748 C ILE A 496 -0.698 3.060 7.173 1.00 0.00 C ATOM 749 O ILE A 496 -0.147 2.343 8.008 1.00 0.00 O ATOM 750 CB ILE A 496 -3.087 2.609 6.522 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.548 1.410 7.352 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.421 2.142 5.232 1.00 0.00 C ATOM 753 CD1 ILE A 496 -4.957 0.961 7.034 1.00 0.00 C ATOM 0 H ILE A 496 -2.940 5.076 6.212 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.408 3.410 8.409 1.00 0.00 H new ATOM 0 HB ILE A 496 -3.958 3.204 6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.864 0.578 7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -3.487 1.666 8.410 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.113 1.512 4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.150 3.008 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.523 1.572 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.217 0.107 7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.652 1.778 7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -5.019 0.674 5.984 1.00 0.00 H new ATOM 765 N LEU A 497 -0.095 3.485 6.070 1.00 0.00 N ATOM 766 CA LEU A 497 1.286 3.127 5.763 1.00 0.00 C ATOM 767 C LEU A 497 2.227 3.542 6.891 1.00 0.00 C ATOM 768 O LEU A 497 3.132 2.794 7.261 1.00 0.00 O ATOM 769 CB LEU A 497 1.723 3.778 4.450 1.00 0.00 C ATOM 770 CG LEU A 497 1.123 3.155 3.188 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.235 4.113 2.013 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.807 1.834 2.870 1.00 0.00 C ATOM 0 H LEU A 497 -0.541 4.079 5.371 1.00 0.00 H new ATOM 0 HA LEU A 497 1.337 2.043 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.454 4.834 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.810 3.727 4.381 1.00 0.00 H new ATOM 0 HG LEU A 497 0.066 2.960 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 497 0.803 3.652 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 497 0.698 5.034 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.285 4.342 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.368 1.404 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.871 2.005 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.672 1.145 3.704 1.00 0.00 H new ATOM 784 N LYS A 498 2.008 4.735 7.434 1.00 0.00 N ATOM 785 CA LYS A 498 2.840 5.241 8.520 1.00 0.00 C ATOM 786 C LYS A 498 2.752 4.333 9.741 1.00 0.00 C ATOM 787 O LYS A 498 3.751 4.087 10.418 1.00 0.00 O ATOM 788 CB LYS A 498 2.422 6.663 8.895 1.00 0.00 C ATOM 789 CG LYS A 498 2.855 7.711 7.883 1.00 0.00 C ATOM 790 CD LYS A 498 2.552 9.117 8.374 1.00 0.00 C ATOM 791 CE LYS A 498 1.057 9.390 8.396 1.00 0.00 C ATOM 792 NZ LYS A 498 0.608 10.120 7.179 1.00 0.00 N ATOM 0 H LYS A 498 1.264 5.368 7.141 1.00 0.00 H new ATOM 0 HA LYS A 498 3.874 5.255 8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 498 1.338 6.698 9.001 1.00 0.00 H new ATOM 0 HB3 LYS A 498 2.845 6.913 9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 498 3.924 7.614 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 498 2.344 7.537 6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 498 2.962 9.250 9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 498 3.046 9.843 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 498 0.517 8.446 8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 498 0.808 9.974 9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 -0.357 10.479 7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 1.250 10.917 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 0.617 9.474 6.364 1.00 0.00 H new ATOM 806 N ARG A 499 1.551 3.835 10.018 1.00 0.00 N ATOM 807 CA ARG A 499 1.335 2.951 11.157 1.00 0.00 C ATOM 808 C ARG A 499 2.098 1.642 10.983 1.00 0.00 C ATOM 809 O ARG A 499 2.670 1.114 11.937 1.00 0.00 O ATOM 810 CB ARG A 499 -0.158 2.666 11.333 1.00 0.00 C ATOM 811 CG ARG A 499 -0.897 3.747 12.105 1.00 0.00 C ATOM 812 CD ARG A 499 -1.128 4.983 11.252 1.00 0.00 C ATOM 813 NE ARG A 499 -1.685 6.088 12.028 1.00 0.00 N ATOM 814 CZ ARG A 499 -1.656 7.359 11.635 1.00 0.00 C ATOM 815 NH1 ARG A 499 -1.100 7.691 10.477 1.00 0.00 N ATOM 816 NH2 ARG A 499 -2.186 8.302 12.403 1.00 0.00 N ATOM 0 H ARG A 499 0.713 4.029 9.469 1.00 0.00 H new ATOM 0 HA ARG A 499 1.709 3.452 12.050 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.616 2.555 10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.279 1.714 11.850 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -1.855 3.358 12.451 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -0.324 4.018 12.992 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -0.185 5.295 10.803 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -1.805 4.737 10.434 1.00 0.00 H new ATOM 0 HE ARG A 499 -2.122 5.873 12.924 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -0.692 6.970 9.882 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -1.081 8.667 10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -2.615 8.053 13.294 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -2.164 9.276 12.102 1.00 0.00 H new ATOM 830 N LEU A 500 2.103 1.125 9.759 1.00 0.00 N ATOM 831 CA LEU A 500 2.797 -0.123 9.459 1.00 0.00 C ATOM 832 C LEU A 500 4.304 0.041 9.619 1.00 0.00 C ATOM 833 O LEU A 500 4.990 -0.861 10.099 1.00 0.00 O ATOM 834 CB LEU A 500 2.470 -0.583 8.037 1.00 0.00 C ATOM 835 CG LEU A 500 1.091 -1.221 7.864 1.00 0.00 C ATOM 836 CD1 LEU A 500 0.648 -1.147 6.411 1.00 0.00 C ATOM 837 CD2 LEU A 500 1.109 -2.665 8.344 1.00 0.00 C ATOM 0 H LEU A 500 1.635 1.550 8.959 1.00 0.00 H new ATOM 0 HA LEU A 500 2.455 -0.879 10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 500 2.543 0.275 7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 500 3.227 -1.300 7.720 1.00 0.00 H new ATOM 0 HG LEU A 500 0.375 -0.665 8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -0.335 -1.606 6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 500 0.597 -0.104 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.365 -1.678 5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 500 0.120 -3.104 8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.837 -3.232 7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 500 1.383 -2.694 9.399 1.00 0.00 H new ATOM 849 N ASN A 501 4.812 1.199 9.213 1.00 0.00 N ATOM 850 CA ASN A 501 6.240 1.488 9.309 1.00 0.00 C ATOM 851 C ASN A 501 7.066 0.418 8.594 1.00 0.00 C ATOM 852 O ASN A 501 7.985 -0.160 9.175 1.00 0.00 O ATOM 853 CB ASN A 501 6.663 1.583 10.776 1.00 0.00 C ATOM 854 CG ASN A 501 6.439 2.966 11.354 1.00 0.00 C ATOM 855 OD1 ASN A 501 5.621 3.151 12.255 1.00 0.00 O ATOM 856 ND2 ASN A 501 7.168 3.949 10.836 1.00 0.00 N ATOM 0 H ASN A 501 4.256 1.955 8.813 1.00 0.00 H new ATOM 0 HA ASN A 501 6.425 2.445 8.821 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.103 0.853 11.361 1.00 0.00 H new ATOM 0 HB3 ASN A 501 7.717 1.322 10.865 1.00 0.00 H new ATOM 0 HD21 ASN A 501 7.061 4.902 11.185 1.00 0.00 H new ATOM 0 HD22 ASN A 501 7.835 3.751 10.090 1.00 0.00 H new ATOM 863 N PRO A 502 6.748 0.140 7.318 1.00 0.00 N ATOM 864 CA PRO A 502 7.465 -0.864 6.527 1.00 0.00 C ATOM 865 C PRO A 502 8.850 -0.386 6.103 1.00 0.00 C ATOM 866 O PRO A 502 9.054 0.797 5.834 1.00 0.00 O ATOM 867 CB PRO A 502 6.568 -1.054 5.304 1.00 0.00 C ATOM 868 CG PRO A 502 5.861 0.248 5.152 1.00 0.00 C ATOM 869 CD PRO A 502 5.666 0.783 6.546 1.00 0.00 C ATOM 0 HA PRO A 502 7.641 -1.780 7.091 1.00 0.00 H new ATOM 0 HB2 PRO A 502 7.153 -1.293 4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.864 -1.873 5.452 1.00 0.00 H new ATOM 0 HG2 PRO A 502 6.446 0.941 4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.904 0.115 4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.745 1.870 6.573 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.683 0.525 6.941 1.00 0.00 H new ATOM 877 N GLU A 503 9.799 -1.315 6.043 1.00 0.00 N ATOM 878 CA GLU A 503 11.164 -0.988 5.650 1.00 0.00 C ATOM 879 C GLU A 503 11.203 -0.446 4.225 1.00 0.00 C ATOM 880 O GLU A 503 10.398 -0.837 3.379 1.00 0.00 O ATOM 881 CB GLU A 503 12.062 -2.222 5.765 1.00 0.00 C ATOM 882 CG GLU A 503 11.684 -3.341 4.808 1.00 0.00 C ATOM 883 CD GLU A 503 12.521 -4.590 5.009 1.00 0.00 C ATOM 884 OE1 GLU A 503 13.543 -4.512 5.722 1.00 0.00 O ATOM 885 OE2 GLU A 503 12.152 -5.647 4.454 1.00 0.00 O ATOM 0 H GLU A 503 9.647 -2.300 6.262 1.00 0.00 H new ATOM 0 HA GLU A 503 11.535 -0.216 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 503 13.095 -1.928 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.018 -2.599 6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.631 -3.589 4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 503 11.801 -2.991 3.782 1.00 0.00 H new ATOM 892 N ARG A 504 12.144 0.456 3.965 1.00 0.00 N ATOM 893 CA ARG A 504 12.287 1.052 2.641 1.00 0.00 C ATOM 894 C ARG A 504 13.622 0.668 2.012 1.00 0.00 C ATOM 895 O ARG A 504 14.651 0.633 2.687 1.00 0.00 O ATOM 896 CB ARG A 504 12.171 2.575 2.731 1.00 0.00 C ATOM 897 CG ARG A 504 13.276 3.222 3.549 1.00 0.00 C ATOM 898 CD ARG A 504 12.953 4.671 3.874 1.00 0.00 C ATOM 899 NE ARG A 504 14.047 5.331 4.582 1.00 0.00 N ATOM 900 CZ ARG A 504 15.140 5.801 3.984 1.00 0.00 C ATOM 901 NH1 ARG A 504 15.288 5.687 2.670 1.00 0.00 N ATOM 902 NH2 ARG A 504 16.088 6.388 4.703 1.00 0.00 N ATOM 0 H ARG A 504 12.819 0.790 4.653 1.00 0.00 H new ATOM 0 HA ARG A 504 11.486 0.669 2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 504 12.184 2.992 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 504 11.207 2.832 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 504 13.420 2.664 4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 504 14.215 3.172 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.741 5.211 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.050 4.713 4.483 1.00 0.00 H new ATOM 0 HE ARG A 504 13.969 5.438 5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 504 14.562 5.237 2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 504 16.128 6.049 2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 504 15.979 6.479 5.713 1.00 0.00 H new ATOM 0 HH22 ARG A 504 16.926 6.748 4.246 1.00 0.00 H new ATOM 916 N LYS A 505 13.597 0.381 0.714 1.00 0.00 N ATOM 917 CA LYS A 505 14.805 0.000 -0.008 1.00 0.00 C ATOM 918 C LYS A 505 14.970 0.840 -1.271 1.00 0.00 C ATOM 919 O LYS A 505 13.990 1.190 -1.928 1.00 0.00 O ATOM 920 CB LYS A 505 14.761 -1.485 -0.372 1.00 0.00 C ATOM 921 CG LYS A 505 14.529 -2.397 0.821 1.00 0.00 C ATOM 922 CD LYS A 505 15.671 -2.309 1.821 1.00 0.00 C ATOM 923 CE LYS A 505 15.531 -3.351 2.919 1.00 0.00 C ATOM 924 NZ LYS A 505 15.237 -4.703 2.369 1.00 0.00 N ATOM 0 H LYS A 505 12.753 0.405 0.141 1.00 0.00 H new ATOM 0 HA LYS A 505 15.660 0.181 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 505 13.969 -1.648 -1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 505 15.700 -1.761 -0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 505 13.594 -2.126 1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 505 14.423 -3.426 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 505 16.620 -2.449 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 505 15.693 -1.313 2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 505 16.451 -3.389 3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 505 14.733 -3.055 3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 15.366 -5.417 3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 14.255 -4.733 2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 15.884 -4.905 1.581 1.00 0.00 H new ATOM 938 N MET A 506 16.216 1.161 -1.604 1.00 0.00 N ATOM 939 CA MET A 506 16.508 1.960 -2.788 1.00 0.00 C ATOM 940 C MET A 506 16.920 1.072 -3.958 1.00 0.00 C ATOM 941 O MET A 506 18.053 0.594 -4.018 1.00 0.00 O ATOM 942 CB MET A 506 17.616 2.971 -2.486 1.00 0.00 C ATOM 943 CG MET A 506 17.099 4.301 -1.961 1.00 0.00 C ATOM 944 SD MET A 506 17.061 4.368 -0.159 1.00 0.00 S ATOM 945 CE MET A 506 15.358 3.913 0.160 1.00 0.00 C ATOM 0 H MET A 506 17.039 0.880 -1.071 1.00 0.00 H new ATOM 0 HA MET A 506 15.601 2.496 -3.065 1.00 0.00 H new ATOM 0 HB2 MET A 506 18.299 2.541 -1.753 1.00 0.00 H new ATOM 0 HB3 MET A 506 18.193 3.148 -3.394 1.00 0.00 H new ATOM 0 HG2 MET A 506 17.730 5.106 -2.338 1.00 0.00 H new ATOM 0 HG3 MET A 506 16.095 4.475 -2.349 1.00 0.00 H new ATOM 0 HE1 MET A 506 15.312 3.267 1.037 1.00 0.00 H new ATOM 0 HE2 MET A 506 14.769 4.812 0.341 1.00 0.00 H new ATOM 0 HE3 MET A 506 14.955 3.383 -0.703 1.00 0.00 H new ATOM 955 N ILE A 507 15.993 0.855 -4.885 1.00 0.00 N ATOM 956 CA ILE A 507 16.259 0.025 -6.053 1.00 0.00 C ATOM 957 C ILE A 507 16.069 0.818 -7.342 1.00 0.00 C ATOM 958 O ILE A 507 14.988 1.347 -7.603 1.00 0.00 O ATOM 959 CB ILE A 507 15.342 -1.213 -6.083 1.00 0.00 C ATOM 960 CG1 ILE A 507 15.405 -1.953 -4.746 1.00 0.00 C ATOM 961 CG2 ILE A 507 15.735 -2.138 -7.226 1.00 0.00 C ATOM 962 CD1 ILE A 507 14.446 -3.121 -4.656 1.00 0.00 C ATOM 0 H ILE A 507 15.050 1.243 -4.850 1.00 0.00 H new ATOM 0 HA ILE A 507 17.296 -0.304 -5.980 1.00 0.00 H new ATOM 0 HB ILE A 507 14.316 -0.883 -6.247 1.00 0.00 H new ATOM 0 HG12 ILE A 507 16.421 -2.314 -4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 507 15.187 -1.251 -3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 507 15.078 -3.007 -7.233 1.00 0.00 H new ATOM 0 HG22 ILE A 507 15.643 -1.606 -8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 507 16.766 -2.464 -7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 507 14.545 -3.599 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 507 13.424 -2.763 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 507 14.677 -3.843 -5.439 1.00 0.00 H new ATOM 974 N ASN A 508 17.125 0.896 -8.146 1.00 0.00 N ATOM 975 CA ASN A 508 17.074 1.624 -9.409 1.00 0.00 C ATOM 976 C ASN A 508 16.672 3.079 -9.183 1.00 0.00 C ATOM 977 O ASN A 508 15.855 3.631 -9.921 1.00 0.00 O ATOM 978 CB ASN A 508 16.089 0.952 -10.368 1.00 0.00 C ATOM 979 CG ASN A 508 16.316 1.363 -11.810 1.00 0.00 C ATOM 980 OD1 ASN A 508 17.241 2.116 -12.115 1.00 0.00 O ATOM 981 ND2 ASN A 508 15.470 0.868 -12.706 1.00 0.00 N ATOM 0 H ASN A 508 18.027 0.464 -7.945 1.00 0.00 H new ATOM 0 HA ASN A 508 18.070 1.607 -9.851 1.00 0.00 H new ATOM 0 HB2 ASN A 508 16.184 -0.131 -10.282 1.00 0.00 H new ATOM 0 HB3 ASN A 508 15.070 1.207 -10.076 1.00 0.00 H new ATOM 0 HD21 ASN A 508 15.573 1.109 -13.692 1.00 0.00 H new ATOM 0 HD22 ASN A 508 14.717 0.247 -12.408 1.00 0.00 H new ATOM 988 N ASP A 509 17.252 3.694 -8.158 1.00 0.00 N ATOM 989 CA ASP A 509 16.954 5.085 -7.833 1.00 0.00 C ATOM 990 C ASP A 509 15.474 5.262 -7.510 1.00 0.00 C ATOM 991 O ASP A 509 14.894 6.316 -7.771 1.00 0.00 O ATOM 992 CB ASP A 509 17.348 5.998 -8.995 1.00 0.00 C ATOM 993 CG ASP A 509 17.242 7.467 -8.637 1.00 0.00 C ATOM 994 OD1 ASP A 509 18.190 7.999 -8.023 1.00 0.00 O ATOM 995 OD2 ASP A 509 16.210 8.087 -8.973 1.00 0.00 O ATOM 0 H ASP A 509 17.931 3.252 -7.538 1.00 0.00 H new ATOM 0 HA ASP A 509 17.535 5.359 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 509 18.370 5.774 -9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.707 5.788 -9.852 1.00 0.00 H new ATOM 1000 N LYS A 510 14.869 4.224 -6.942 1.00 0.00 N ATOM 1001 CA LYS A 510 13.457 4.265 -6.582 1.00 0.00 C ATOM 1002 C LYS A 510 13.237 3.714 -5.177 1.00 0.00 C ATOM 1003 O LYS A 510 14.024 2.905 -4.686 1.00 0.00 O ATOM 1004 CB LYS A 510 12.629 3.466 -7.591 1.00 0.00 C ATOM 1005 CG LYS A 510 12.685 4.024 -9.003 1.00 0.00 C ATOM 1006 CD LYS A 510 11.758 3.267 -9.939 1.00 0.00 C ATOM 1007 CE LYS A 510 11.909 3.739 -11.376 1.00 0.00 C ATOM 1008 NZ LYS A 510 13.148 3.207 -12.008 1.00 0.00 N ATOM 0 H LYS A 510 15.335 3.344 -6.721 1.00 0.00 H new ATOM 0 HA LYS A 510 13.133 5.306 -6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.982 2.435 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.591 3.443 -7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 510 12.408 5.078 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 510 13.707 3.967 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 510 11.973 2.200 -9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 510 10.725 3.402 -9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 510 11.041 3.423 -11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 510 11.928 4.829 -11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 13.197 3.524 -12.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 13.979 3.557 -11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 13.134 2.168 -11.978 1.00 0.00 H new ATOM 1022 N MET A 511 12.161 4.158 -4.534 1.00 0.00 N ATOM 1023 CA MET A 511 11.837 3.708 -3.185 1.00 0.00 C ATOM 1024 C MET A 511 10.763 2.626 -3.216 1.00 0.00 C ATOM 1025 O MET A 511 9.739 2.773 -3.885 1.00 0.00 O ATOM 1026 CB MET A 511 11.367 4.886 -2.330 1.00 0.00 C ATOM 1027 CG MET A 511 10.359 5.783 -3.030 1.00 0.00 C ATOM 1028 SD MET A 511 9.664 7.034 -1.933 1.00 0.00 S ATOM 1029 CE MET A 511 11.053 8.155 -1.777 1.00 0.00 C ATOM 0 H MET A 511 11.499 4.828 -4.925 1.00 0.00 H new ATOM 0 HA MET A 511 12.740 3.286 -2.743 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.923 4.503 -1.411 1.00 0.00 H new ATOM 0 HB3 MET A 511 12.232 5.482 -2.041 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.841 6.274 -3.876 1.00 0.00 H new ATOM 0 HG3 MET A 511 9.553 5.171 -3.434 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.747 9.037 -1.215 1.00 0.00 H new ATOM 0 HE2 MET A 511 11.867 7.655 -1.253 1.00 0.00 H new ATOM 0 HE3 MET A 511 11.391 8.456 -2.769 1.00 0.00 H new ATOM 1039 N HIS A 512 11.002 1.539 -2.489 1.00 0.00 N ATOM 1040 CA HIS A 512 10.055 0.432 -2.434 1.00 0.00 C ATOM 1041 C HIS A 512 9.728 0.066 -0.989 1.00 0.00 C ATOM 1042 O HIS A 512 10.556 0.234 -0.094 1.00 0.00 O ATOM 1043 CB HIS A 512 10.620 -0.787 -3.165 1.00 0.00 C ATOM 1044 CG HIS A 512 10.816 -0.566 -4.633 1.00 0.00 C ATOM 1045 ND1 HIS A 512 11.969 -0.030 -5.166 1.00 0.00 N ATOM 1046 CD2 HIS A 512 9.997 -0.812 -5.683 1.00 0.00 C ATOM 1047 CE1 HIS A 512 11.851 0.045 -6.480 1.00 0.00 C ATOM 1048 NE2 HIS A 512 10.664 -0.423 -6.818 1.00 0.00 N ATOM 0 H HIS A 512 11.844 1.402 -1.930 1.00 0.00 H new ATOM 0 HA HIS A 512 9.136 0.749 -2.927 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.575 -1.059 -2.716 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.947 -1.632 -3.020 1.00 0.00 H new ATOM 0 HD2 HIS A 512 9.004 -1.235 -5.636 1.00 0.00 H new ATOM 0 HE1 HIS A 512 12.598 0.424 -7.161 1.00 0.00 H new ATOM 0 HE2 HIS A 512 10.301 -0.486 -7.769 1.00 0.00 H new ATOM 1057 N PHE A 513 8.517 -0.434 -0.769 1.00 0.00 N ATOM 1058 CA PHE A 513 8.081 -0.823 0.567 1.00 0.00 C ATOM 1059 C PHE A 513 7.988 -2.341 0.687 1.00 0.00 C ATOM 1060 O PHE A 513 7.417 -3.008 -0.175 1.00 0.00 O ATOM 1061 CB PHE A 513 6.726 -0.191 0.889 1.00 0.00 C ATOM 1062 CG PHE A 513 6.743 1.311 0.862 1.00 0.00 C ATOM 1063 CD1 PHE A 513 7.118 2.033 1.985 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.385 2.001 -0.285 1.00 0.00 C ATOM 1065 CE1 PHE A 513 7.134 3.415 1.963 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.400 3.383 -0.312 1.00 0.00 C ATOM 1067 CZ PHE A 513 6.775 4.090 0.813 1.00 0.00 C ATOM 0 H PHE A 513 7.820 -0.579 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 513 8.820 -0.463 1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.987 -0.551 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.404 -0.525 1.875 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.401 1.510 2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 513 6.091 1.453 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.427 3.966 2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 513 6.119 3.909 -1.212 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.788 5.170 0.794 1.00 0.00 H new ATOM 1077 N SER A 514 8.554 -2.881 1.762 1.00 0.00 N ATOM 1078 CA SER A 514 8.534 -4.320 1.994 1.00 0.00 C ATOM 1079 C SER A 514 8.177 -4.634 3.444 1.00 0.00 C ATOM 1080 O SER A 514 8.510 -3.875 4.354 1.00 0.00 O ATOM 1081 CB SER A 514 9.893 -4.932 1.648 1.00 0.00 C ATOM 1082 OG SER A 514 9.857 -6.345 1.745 1.00 0.00 O ATOM 0 H SER A 514 9.032 -2.344 2.485 1.00 0.00 H new ATOM 0 HA SER A 514 7.771 -4.756 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.179 -4.641 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.655 -4.538 2.321 1.00 0.00 H new ATOM 0 HG SER A 514 10.737 -6.711 1.517 1.00 0.00 H new ATOM 1088 N LEU A 515 7.498 -5.757 3.650 1.00 0.00 N ATOM 1089 CA LEU A 515 7.095 -6.172 4.989 1.00 0.00 C ATOM 1090 C LEU A 515 7.308 -7.670 5.181 1.00 0.00 C ATOM 1091 O LEU A 515 7.150 -8.455 4.246 1.00 0.00 O ATOM 1092 CB LEU A 515 5.628 -5.813 5.237 1.00 0.00 C ATOM 1093 CG LEU A 515 5.403 -4.606 6.149 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.104 -3.901 5.791 1.00 0.00 C ATOM 1095 CD2 LEU A 515 5.395 -5.037 7.608 1.00 0.00 C ATOM 0 H LEU A 515 7.215 -6.396 2.907 1.00 0.00 H new ATOM 0 HA LEU A 515 7.716 -5.642 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.150 -5.618 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.127 -6.677 5.673 1.00 0.00 H new ATOM 0 HG LEU A 515 6.224 -3.904 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 515 3.961 -3.045 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 515 4.149 -3.559 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.270 -4.593 5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 515 5.234 -4.166 8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 515 4.594 -5.758 7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 515 6.352 -5.496 7.857 1.00 0.00 H new ATOM 1107 N LYS A 516 7.667 -8.060 6.400 1.00 0.00 N ATOM 1108 CA LYS A 516 7.900 -9.465 6.716 1.00 0.00 C ATOM 1109 C LYS A 516 6.849 -9.986 7.691 1.00 0.00 C ATOM 1110 O LYS A 516 6.825 -9.599 8.859 1.00 0.00 O ATOM 1111 CB LYS A 516 9.299 -9.651 7.306 1.00 0.00 C ATOM 1112 CG LYS A 516 9.594 -8.730 8.478 1.00 0.00 C ATOM 1113 CD LYS A 516 11.027 -8.884 8.961 1.00 0.00 C ATOM 1114 CE LYS A 516 12.012 -8.249 7.994 1.00 0.00 C ATOM 1115 NZ LYS A 516 13.358 -8.881 8.076 1.00 0.00 N ATOM 0 H LYS A 516 7.803 -7.423 7.185 1.00 0.00 H new ATOM 0 HA LYS A 516 7.825 -10.037 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 516 9.412 -10.685 7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.039 -9.479 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 516 9.418 -7.696 8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 516 8.908 -8.949 9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 516 11.132 -8.424 9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 516 11.261 -9.942 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.631 -8.338 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 516 12.097 -7.184 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 14.000 -8.419 7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.734 -8.774 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.281 -9.892 7.845 1.00 0.00 H new ATOM 1129 N GLU A 517 5.980 -10.865 7.202 1.00 0.00 N ATOM 1130 CA GLU A 517 4.926 -11.439 8.029 1.00 0.00 C ATOM 1131 C GLU A 517 4.003 -10.350 8.567 1.00 0.00 C ATOM 1132 O GLU A 517 4.369 -9.709 9.574 1.00 0.00 O ATOM 1133 CB GLU A 517 5.532 -12.229 9.191 1.00 0.00 C ATOM 1134 CG GLU A 517 4.503 -12.983 10.017 1.00 0.00 C ATOM 1135 CD GLU A 517 5.113 -13.680 11.219 1.00 0.00 C ATOM 1136 OE1 GLU A 517 6.335 -13.537 11.433 1.00 0.00 O ATOM 1137 OE2 GLU A 517 4.367 -14.368 11.947 1.00 0.00 O ATOM 1138 OXT GLU A 517 2.921 -10.147 7.976 1.00 0.00 O ATOM 0 H GLU A 517 5.985 -11.195 6.237 1.00 0.00 H new ATOM 0 HA GLU A 517 4.339 -12.114 7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 517 6.259 -12.939 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 517 6.076 -11.543 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 517 3.735 -12.288 10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 517 4.008 -13.722 9.387 1.00 0.00 H new