USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=16 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 Set 1.1: A 485 SER OG : rot 170:sc= -0.725 USER MOD Set 1.2: A 488 GLN : amide:sc= 0 X(o=-0.73,f=-0.72) USER MOD Set 2.1: A 478 GLN :FLIP amide:sc= -0.295 F(o=-1!,f=0.99) USER MOD Set 2.2: A 489 THR OG1 : rot 84:sc= 1.29 USER MOD Single : A 455 THR OG1 : rot 180:sc= 0.00158 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot 34:sc= -1.56 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl 163:sc= -0.0328 (180deg=-0.587) USER MOD Single : A 469 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot -7:sc= 0.599 USER MOD Single : A 480 LYS NZ :NH3+ 145:sc= -0.107 (180deg=-0.745) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot -159:sc= 0.663 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 491 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.3) USER MOD Single : A 495 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -0.479 K(o=-0.48,f=-1.8) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 157:sc= -0.0711 (180deg=-0.481) USER MOD Single : A 508 ASN : amide:sc= -0.872 K(o=-0.87,f=-1.4) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 164:sc= -0.0122 (180deg=-0.279) USER MOD Single : A 512 HIS : no HD1:sc= -0.865 X(o=-0.86,f=-0.9) 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 -10.277 -0.293 3.594 1.00 0.00 N ATOM 46 CA VAL A 454 -8.865 -0.655 3.591 1.00 0.00 C ATOM 47 C VAL A 454 -8.373 -0.955 5.003 1.00 0.00 C ATOM 48 O VAL A 454 -8.651 -0.205 5.940 1.00 0.00 O ATOM 49 CB VAL A 454 -7.999 0.466 2.985 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.556 0.007 2.835 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.566 0.913 1.646 1.00 0.00 C ATOM 0 HA VAL A 454 -8.769 -1.550 2.977 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.015 1.319 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -5.961 0.813 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.155 -0.259 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.517 -0.862 2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.942 1.705 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.583 0.068 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.580 1.287 1.787 1.00 0.00 H new ATOM 61 N THR A 455 -7.643 -2.056 5.150 1.00 0.00 N ATOM 62 CA THR A 455 -7.114 -2.454 6.449 1.00 0.00 C ATOM 63 C THR A 455 -5.594 -2.564 6.409 1.00 0.00 C ATOM 64 O THR A 455 -4.998 -2.685 5.338 1.00 0.00 O ATOM 65 CB THR A 455 -7.721 -3.790 6.882 1.00 0.00 C ATOM 66 OG1 THR A 455 -7.155 -4.860 6.146 1.00 0.00 O ATOM 67 CG2 THR A 455 -9.222 -3.852 6.700 1.00 0.00 C ATOM 0 H THR A 455 -7.405 -2.688 4.386 1.00 0.00 H new ATOM 0 HA THR A 455 -7.385 -1.686 7.173 1.00 0.00 H new ATOM 0 HB THR A 455 -7.496 -3.879 7.945 1.00 0.00 H new ATOM 0 HG1 THR A 455 -7.555 -5.706 6.438 1.00 0.00 H new ATOM 0 HG21 THR A 455 -9.588 -4.826 7.026 1.00 0.00 H new ATOM 0 HG22 THR A 455 -9.693 -3.069 7.295 1.00 0.00 H new ATOM 0 HG23 THR A 455 -9.467 -3.706 5.648 1.00 0.00 H new ATOM 75 N GLU A 456 -4.972 -2.521 7.583 1.00 0.00 N ATOM 76 CA GLU A 456 -3.520 -2.617 7.684 1.00 0.00 C ATOM 77 C GLU A 456 -3.032 -3.989 7.229 1.00 0.00 C ATOM 78 O GLU A 456 -1.964 -4.112 6.631 1.00 0.00 O ATOM 79 CB GLU A 456 -3.070 -2.355 9.123 1.00 0.00 C ATOM 80 CG GLU A 456 -3.257 -0.914 9.567 1.00 0.00 C ATOM 81 CD GLU A 456 -4.703 -0.583 9.882 1.00 0.00 C ATOM 82 OE1 GLU A 456 -5.470 -1.516 10.197 1.00 0.00 O ATOM 83 OE2 GLU A 456 -5.067 0.610 9.814 1.00 0.00 O ATOM 0 H GLU A 456 -5.451 -2.420 8.478 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.085 -1.861 7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.628 -3.008 9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.018 -2.622 9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -2.645 -0.727 10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -2.898 -0.247 8.783 1.00 0.00 H new ATOM 90 N ASP A 457 -3.823 -5.018 7.519 1.00 0.00 N ATOM 91 CA ASP A 457 -3.472 -6.382 7.142 1.00 0.00 C ATOM 92 C ASP A 457 -3.343 -6.515 5.628 1.00 0.00 C ATOM 93 O ASP A 457 -2.459 -7.211 5.129 1.00 0.00 O ATOM 94 CB ASP A 457 -4.523 -7.364 7.663 1.00 0.00 C ATOM 95 CG ASP A 457 -4.542 -7.441 9.178 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.567 -6.981 9.809 1.00 0.00 O ATOM 97 OD2 ASP A 457 -5.532 -7.962 9.733 1.00 0.00 O ATOM 0 H ASP A 457 -4.711 -4.932 8.014 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.508 -6.618 7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -5.507 -7.062 7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -4.325 -8.355 7.254 1.00 0.00 H new ATOM 102 N ALA A 458 -4.231 -5.845 4.901 1.00 0.00 N ATOM 103 CA ALA A 458 -4.216 -5.891 3.444 1.00 0.00 C ATOM 104 C ALA A 458 -2.928 -5.297 2.885 1.00 0.00 C ATOM 105 O ALA A 458 -2.400 -5.772 1.879 1.00 0.00 O ATOM 106 CB ALA A 458 -5.425 -5.158 2.882 1.00 0.00 C ATOM 0 H ALA A 458 -4.970 -5.264 5.297 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.262 -6.936 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -5.402 -5.200 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.338 -5.631 3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.403 -4.117 3.206 1.00 0.00 H new ATOM 112 N VAL A 459 -2.428 -4.254 3.540 1.00 0.00 N ATOM 113 CA VAL A 459 -1.203 -3.594 3.104 1.00 0.00 C ATOM 114 C VAL A 459 0.011 -4.499 3.293 1.00 0.00 C ATOM 115 O VAL A 459 0.814 -4.674 2.377 1.00 0.00 O ATOM 116 CB VAL A 459 -0.973 -2.278 3.870 1.00 0.00 C ATOM 117 CG1 VAL A 459 0.209 -1.518 3.287 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.229 -1.421 3.849 1.00 0.00 C ATOM 0 H VAL A 459 -2.852 -3.848 4.374 1.00 0.00 H new ATOM 0 HA VAL A 459 -1.324 -3.374 2.043 1.00 0.00 H new ATOM 0 HB VAL A 459 -0.743 -2.520 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 459 0.355 -0.591 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 459 1.108 -2.131 3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 459 0.012 -1.287 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.047 -0.495 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -2.493 -1.188 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.048 -1.965 4.319 1.00 0.00 H new ATOM 128 N ARG A 460 0.141 -5.067 4.487 1.00 0.00 N ATOM 129 CA ARG A 460 1.260 -5.951 4.796 1.00 0.00 C ATOM 130 C ARG A 460 1.252 -7.183 3.896 1.00 0.00 C ATOM 131 O ARG A 460 2.306 -7.672 3.490 1.00 0.00 O ATOM 132 CB ARG A 460 1.211 -6.377 6.264 1.00 0.00 C ATOM 133 CG ARG A 460 -0.099 -7.037 6.661 1.00 0.00 C ATOM 134 CD ARG A 460 -0.105 -7.422 8.132 1.00 0.00 C ATOM 135 NE ARG A 460 -0.151 -6.251 9.004 1.00 0.00 N ATOM 136 CZ ARG A 460 0.187 -6.272 10.292 1.00 0.00 C ATOM 137 NH1 ARG A 460 0.594 -7.400 10.860 1.00 0.00 N ATOM 138 NH2 ARG A 460 0.117 -5.162 11.013 1.00 0.00 N ATOM 0 H ARG A 460 -0.514 -4.931 5.257 1.00 0.00 H new ATOM 0 HA ARG A 460 2.183 -5.400 4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 460 2.031 -7.068 6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 460 1.373 -5.502 6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -0.926 -6.357 6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -0.260 -7.926 6.050 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.965 -8.060 8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 460 0.787 -8.007 8.357 1.00 0.00 H new ATOM 0 HE ARG A 460 -0.460 -5.366 8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 460 0.649 -8.257 10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 460 0.852 -7.410 11.847 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -0.196 -4.292 10.581 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.376 -5.177 12.000 1.00 0.00 H new ATOM 152 N ARG A 461 0.059 -7.681 3.589 1.00 0.00 N ATOM 153 CA ARG A 461 -0.083 -8.858 2.739 1.00 0.00 C ATOM 154 C ARG A 461 0.580 -8.637 1.382 1.00 0.00 C ATOM 155 O ARG A 461 1.213 -9.541 0.836 1.00 0.00 O ATOM 156 CB ARG A 461 -1.562 -9.201 2.547 1.00 0.00 C ATOM 157 CG ARG A 461 -2.194 -9.867 3.758 1.00 0.00 C ATOM 158 CD ARG A 461 -1.721 -11.303 3.915 1.00 0.00 C ATOM 159 NE ARG A 461 -2.403 -11.987 5.011 1.00 0.00 N ATOM 160 CZ ARG A 461 -2.102 -11.813 6.296 1.00 0.00 C ATOM 161 NH1 ARG A 461 -1.132 -10.979 6.650 1.00 0.00 N ATOM 162 NH2 ARG A 461 -2.773 -12.474 7.229 1.00 0.00 N ATOM 0 H ARG A 461 -0.824 -7.288 3.916 1.00 0.00 H new ATOM 0 HA ARG A 461 0.415 -9.692 3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.111 -8.288 2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -1.665 -9.860 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.946 -9.301 4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -3.279 -9.849 3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -1.894 -11.845 2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -0.646 -11.313 4.094 1.00 0.00 H new ATOM 0 HE ARG A 461 -3.154 -12.636 4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -0.613 -10.468 5.936 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -0.905 -10.849 7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -3.520 -13.116 6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -2.543 -12.341 8.214 1.00 0.00 H new ATOM 176 N TYR A 462 0.430 -7.432 0.844 1.00 0.00 N ATOM 177 CA TYR A 462 1.015 -7.095 -0.449 1.00 0.00 C ATOM 178 C TYR A 462 2.532 -6.971 -0.346 1.00 0.00 C ATOM 179 O TYR A 462 3.265 -7.471 -1.199 1.00 0.00 O ATOM 180 CB TYR A 462 0.419 -5.789 -0.977 1.00 0.00 C ATOM 181 CG TYR A 462 -1.072 -5.856 -1.219 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.626 -6.873 -1.986 1.00 0.00 C ATOM 183 CD2 TYR A 462 -1.925 -4.901 -0.680 1.00 0.00 C ATOM 184 CE1 TYR A 462 -2.988 -6.937 -2.210 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.289 -4.959 -0.899 1.00 0.00 C ATOM 186 CZ TYR A 462 -3.815 -5.978 -1.664 1.00 0.00 C ATOM 187 OH TYR A 462 -5.172 -6.038 -1.885 1.00 0.00 O ATOM 0 H TYR A 462 -0.091 -6.673 1.282 1.00 0.00 H new ATOM 0 HA TYR A 462 0.782 -7.900 -1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.627 -4.991 -0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.918 -5.523 -1.909 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -0.981 -7.626 -2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -1.516 -4.101 -0.081 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.403 -7.734 -2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -3.939 -4.209 -0.473 1.00 0.00 H new ATOM 0 HH TYR A 462 -5.611 -5.289 -1.430 1.00 0.00 H new ATOM 197 N LEU A 463 2.995 -6.298 0.702 1.00 0.00 N ATOM 198 CA LEU A 463 4.425 -6.105 0.916 1.00 0.00 C ATOM 199 C LEU A 463 5.103 -7.415 1.305 1.00 0.00 C ATOM 200 O LEU A 463 6.255 -7.658 0.947 1.00 0.00 O ATOM 201 CB LEU A 463 4.660 -5.053 2.001 1.00 0.00 C ATOM 202 CG LEU A 463 4.036 -3.686 1.721 1.00 0.00 C ATOM 203 CD1 LEU A 463 4.271 -2.742 2.891 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.600 -3.096 0.437 1.00 0.00 C ATOM 0 H LEU A 463 2.401 -5.877 1.416 1.00 0.00 H new ATOM 0 HA LEU A 463 4.863 -5.758 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 463 4.264 -5.430 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.734 -4.925 2.135 1.00 0.00 H new ATOM 0 HG LEU A 463 2.961 -3.817 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 463 3.820 -1.774 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 463 3.819 -3.159 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 463 5.342 -2.616 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.145 -2.123 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 463 5.679 -2.979 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 463 4.380 -3.763 -0.397 1.00 0.00 H new ATOM 216 N THR A 464 4.381 -8.256 2.038 1.00 0.00 N ATOM 217 CA THR A 464 4.913 -9.540 2.474 1.00 0.00 C ATOM 218 C THR A 464 5.287 -10.408 1.277 1.00 0.00 C ATOM 219 O THR A 464 6.212 -11.217 1.350 1.00 0.00 O ATOM 220 CB THR A 464 3.889 -10.265 3.347 1.00 0.00 C ATOM 221 OG1 THR A 464 2.577 -10.065 2.851 1.00 0.00 O ATOM 222 CG2 THR A 464 3.908 -9.815 4.792 1.00 0.00 C ATOM 0 H THR A 464 3.425 -8.070 2.342 1.00 0.00 H new ATOM 0 HA THR A 464 5.814 -9.355 3.059 1.00 0.00 H new ATOM 0 HB THR A 464 4.170 -11.318 3.308 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.602 -10.008 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 464 3.157 -10.369 5.356 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.893 -10.002 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.687 -8.749 4.844 1.00 0.00 H new ATOM 230 N ARG A 465 4.562 -10.235 0.177 1.00 0.00 N ATOM 231 CA ARG A 465 4.818 -11.003 -1.035 1.00 0.00 C ATOM 232 C ARG A 465 5.975 -10.403 -1.825 1.00 0.00 C ATOM 233 O ARG A 465 7.024 -11.027 -1.985 1.00 0.00 O ATOM 234 CB ARG A 465 3.562 -11.056 -1.907 1.00 0.00 C ATOM 235 CG ARG A 465 2.416 -11.829 -1.275 1.00 0.00 C ATOM 236 CD ARG A 465 2.708 -13.320 -1.229 1.00 0.00 C ATOM 237 NE ARG A 465 2.067 -13.969 -0.088 1.00 0.00 N ATOM 238 CZ ARG A 465 0.770 -14.261 -0.034 1.00 0.00 C ATOM 239 NH1 ARG A 465 -0.028 -13.965 -1.052 1.00 0.00 N ATOM 240 NH2 ARG A 465 0.268 -14.853 1.042 1.00 0.00 N ATOM 0 H ARG A 465 3.793 -9.570 0.100 1.00 0.00 H new ATOM 0 HA ARG A 465 5.090 -12.017 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 465 3.232 -10.039 -2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.813 -11.513 -2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 465 2.241 -11.460 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 465 1.501 -11.654 -1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 465 2.362 -13.786 -2.152 1.00 0.00 H new ATOM 0 HD3 ARG A 465 3.785 -13.477 -1.177 1.00 0.00 H new ATOM 0 HE ARG A 465 2.648 -14.213 0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 465 0.352 -13.511 -1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -1.021 -14.192 -1.004 1.00 0.00 H new ATOM 0 HH21 ARG A 465 0.876 -15.084 1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -0.726 -15.077 1.084 1.00 0.00 H new ATOM 254 N LYS A 466 5.773 -9.188 -2.313 1.00 0.00 N ATOM 255 CA LYS A 466 6.794 -8.492 -3.087 1.00 0.00 C ATOM 256 C LYS A 466 6.740 -6.988 -2.829 1.00 0.00 C ATOM 257 O LYS A 466 5.663 -6.421 -2.650 1.00 0.00 O ATOM 258 CB LYS A 466 6.610 -8.772 -4.580 1.00 0.00 C ATOM 259 CG LYS A 466 7.874 -8.567 -5.398 1.00 0.00 C ATOM 260 CD LYS A 466 7.740 -9.164 -6.790 1.00 0.00 C ATOM 261 CE LYS A 466 7.866 -10.678 -6.761 1.00 0.00 C ATOM 262 NZ LYS A 466 9.239 -11.129 -7.119 1.00 0.00 N ATOM 0 H LYS A 466 4.909 -8.661 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 466 7.770 -8.862 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 466 6.266 -9.798 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 466 5.826 -8.122 -4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 466 8.089 -7.501 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 466 8.719 -9.025 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 466 6.775 -8.886 -7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 466 8.508 -8.746 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 466 7.612 -11.044 -5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 466 7.148 -11.115 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 9.283 -12.168 -7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 9.473 -10.802 -8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 9.922 -10.733 -6.442 1.00 0.00 H new ATOM 276 N PRO A 467 7.906 -6.317 -2.806 1.00 0.00 N ATOM 277 CA PRO A 467 7.978 -4.871 -2.569 1.00 0.00 C ATOM 278 C PRO A 467 7.109 -4.083 -3.543 1.00 0.00 C ATOM 279 O PRO A 467 7.157 -4.305 -4.752 1.00 0.00 O ATOM 280 CB PRO A 467 9.458 -4.542 -2.788 1.00 0.00 C ATOM 281 CG PRO A 467 10.174 -5.826 -2.551 1.00 0.00 C ATOM 282 CD PRO A 467 9.241 -6.911 -3.009 1.00 0.00 C ATOM 0 HA PRO A 467 7.613 -4.604 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 467 9.635 -4.171 -3.798 1.00 0.00 H new ATOM 0 HB3 PRO A 467 9.797 -3.768 -2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 467 11.112 -5.858 -3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.423 -5.945 -1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.410 -7.173 -4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.368 -7.824 -2.427 1.00 0.00 H new ATOM 290 N MET A 468 6.315 -3.160 -3.008 1.00 0.00 N ATOM 291 CA MET A 468 5.436 -2.339 -3.832 1.00 0.00 C ATOM 292 C MET A 468 5.529 -0.871 -3.433 1.00 0.00 C ATOM 293 O MET A 468 5.837 -0.547 -2.286 1.00 0.00 O ATOM 294 CB MET A 468 3.990 -2.822 -3.709 1.00 0.00 C ATOM 295 CG MET A 468 3.772 -4.231 -4.235 1.00 0.00 C ATOM 296 SD MET A 468 2.032 -4.703 -4.255 1.00 0.00 S ATOM 297 CE MET A 468 1.422 -3.691 -5.602 1.00 0.00 C ATOM 0 H MET A 468 6.263 -2.963 -2.009 1.00 0.00 H new ATOM 0 HA MET A 468 5.758 -2.435 -4.869 1.00 0.00 H new ATOM 0 HB2 MET A 468 3.691 -2.784 -2.662 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.339 -2.136 -4.251 1.00 0.00 H new ATOM 0 HG2 MET A 468 4.176 -4.304 -5.245 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.329 -4.936 -3.617 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.459 -4.075 -5.938 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.303 -2.663 -5.260 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.132 -3.719 -6.428 1.00 0.00 H new ATOM 307 N THR A 469 5.260 0.014 -4.388 1.00 0.00 N ATOM 308 CA THR A 469 5.310 1.450 -4.136 1.00 0.00 C ATOM 309 C THR A 469 3.946 1.971 -3.697 1.00 0.00 C ATOM 310 O THR A 469 2.931 1.294 -3.859 1.00 0.00 O ATOM 311 CB THR A 469 5.775 2.192 -5.390 1.00 0.00 C ATOM 312 OG1 THR A 469 4.776 2.155 -6.394 1.00 0.00 O ATOM 313 CG2 THR A 469 7.046 1.626 -5.985 1.00 0.00 C ATOM 0 H THR A 469 5.005 -0.238 -5.343 1.00 0.00 H new ATOM 0 HA THR A 469 6.023 1.630 -3.332 1.00 0.00 H new ATOM 0 HB THR A 469 5.970 3.214 -5.065 1.00 0.00 H new ATOM 0 HG1 THR A 469 5.092 2.636 -7.187 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.319 2.199 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.850 1.687 -5.251 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.886 0.584 -6.262 1.00 0.00 H new ATOM 321 N THR A 470 3.929 3.178 -3.140 1.00 0.00 N ATOM 322 CA THR A 470 2.688 3.789 -2.676 1.00 0.00 C ATOM 323 C THR A 470 1.669 3.884 -3.807 1.00 0.00 C ATOM 324 O THR A 470 0.495 3.558 -3.628 1.00 0.00 O ATOM 325 CB THR A 470 2.964 5.181 -2.105 1.00 0.00 C ATOM 326 OG1 THR A 470 3.669 5.976 -3.041 1.00 0.00 O ATOM 327 CG2 THR A 470 3.771 5.154 -0.825 1.00 0.00 C ATOM 0 H THR A 470 4.760 3.752 -2.999 1.00 0.00 H new ATOM 0 HA THR A 470 2.273 3.156 -1.891 1.00 0.00 H new ATOM 0 HB THR A 470 1.983 5.604 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 470 3.834 6.863 -2.658 1.00 0.00 H new ATOM 0 HG21 THR A 470 3.931 6.174 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.230 4.589 -0.066 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.734 4.680 -1.012 1.00 0.00 H new ATOM 335 N LYS A 471 2.125 4.333 -4.971 1.00 0.00 N ATOM 336 CA LYS A 471 1.253 4.471 -6.132 1.00 0.00 C ATOM 337 C LYS A 471 0.701 3.116 -6.564 1.00 0.00 C ATOM 338 O LYS A 471 -0.465 3.002 -6.943 1.00 0.00 O ATOM 339 CB LYS A 471 2.011 5.118 -7.292 1.00 0.00 C ATOM 340 CG LYS A 471 2.451 6.546 -7.010 1.00 0.00 C ATOM 341 CD LYS A 471 3.222 7.132 -8.181 1.00 0.00 C ATOM 342 CE LYS A 471 2.313 7.399 -9.370 1.00 0.00 C ATOM 343 NZ LYS A 471 2.984 7.089 -10.662 1.00 0.00 N ATOM 0 H LYS A 471 3.093 4.608 -5.136 1.00 0.00 H new ATOM 0 HA LYS A 471 0.417 5.111 -5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 471 2.889 4.515 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 471 1.377 5.110 -8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.577 7.163 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.074 6.566 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.702 8.061 -7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.016 6.445 -8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 471 1.408 6.798 -9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 471 2.004 8.444 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 2.331 7.284 -11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 3.834 7.680 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 3.257 6.086 -10.680 1.00 0.00 H new ATOM 357 N ASP A 472 1.546 2.092 -6.505 1.00 0.00 N ATOM 358 CA ASP A 472 1.142 0.746 -6.892 1.00 0.00 C ATOM 359 C ASP A 472 0.015 0.236 -6.000 1.00 0.00 C ATOM 360 O ASP A 472 -0.923 -0.405 -6.473 1.00 0.00 O ATOM 361 CB ASP A 472 2.336 -0.208 -6.820 1.00 0.00 C ATOM 362 CG ASP A 472 3.403 0.122 -7.846 1.00 0.00 C ATOM 363 OD1 ASP A 472 3.102 0.875 -8.796 1.00 0.00 O ATOM 364 OD2 ASP A 472 4.541 -0.372 -7.698 1.00 0.00 O ATOM 0 H ASP A 472 2.514 2.169 -6.193 1.00 0.00 H new ATOM 0 HA ASP A 472 0.778 0.785 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 472 2.771 -0.166 -5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 472 1.991 -1.230 -6.975 1.00 0.00 H new ATOM 369 N LEU A 473 0.116 0.527 -4.709 1.00 0.00 N ATOM 370 CA LEU A 473 -0.895 0.100 -3.748 1.00 0.00 C ATOM 371 C LEU A 473 -2.226 0.796 -4.011 1.00 0.00 C ATOM 372 O LEU A 473 -3.290 0.190 -3.886 1.00 0.00 O ATOM 373 CB LEU A 473 -0.427 0.392 -2.321 1.00 0.00 C ATOM 374 CG LEU A 473 0.858 -0.323 -1.901 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.192 -0.011 -0.451 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.723 -1.824 -2.108 1.00 0.00 C ATOM 0 H LEU A 473 0.887 1.057 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.039 -0.974 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.277 1.467 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.222 0.113 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 473 1.675 0.038 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.109 -0.528 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.330 1.064 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.376 -0.344 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.646 -2.318 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.105 -2.201 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.531 -2.030 -3.161 1.00 0.00 H new ATOM 388 N LEU A 474 -2.158 2.073 -4.373 1.00 0.00 N ATOM 389 CA LEU A 474 -3.357 2.854 -4.653 1.00 0.00 C ATOM 390 C LEU A 474 -4.179 2.214 -5.768 1.00 0.00 C ATOM 391 O LEU A 474 -5.404 2.128 -5.679 1.00 0.00 O ATOM 392 CB LEU A 474 -2.979 4.285 -5.041 1.00 0.00 C ATOM 393 CG LEU A 474 -4.161 5.227 -5.276 1.00 0.00 C ATOM 394 CD1 LEU A 474 -4.769 5.661 -3.952 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.723 6.438 -6.086 1.00 0.00 C ATOM 0 H LEU A 474 -1.285 2.589 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.963 2.877 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.351 4.704 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.375 4.252 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 474 -4.922 4.691 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -5.608 6.331 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -5.119 4.784 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -4.016 6.180 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -4.576 7.098 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -2.944 6.975 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -3.335 6.110 -7.050 1.00 0.00 H new ATOM 407 N LYS A 475 -3.497 1.766 -6.817 1.00 0.00 N ATOM 408 CA LYS A 475 -4.163 1.133 -7.949 1.00 0.00 C ATOM 409 C LYS A 475 -4.884 -0.139 -7.517 1.00 0.00 C ATOM 410 O LYS A 475 -5.961 -0.456 -8.021 1.00 0.00 O ATOM 411 CB LYS A 475 -3.149 0.810 -9.048 1.00 0.00 C ATOM 412 CG LYS A 475 -3.782 0.280 -10.324 1.00 0.00 C ATOM 413 CD LYS A 475 -2.730 -0.074 -11.362 1.00 0.00 C ATOM 414 CE LYS A 475 -3.365 -0.496 -12.678 1.00 0.00 C ATOM 415 NZ LYS A 475 -3.380 0.616 -13.669 1.00 0.00 N ATOM 0 H LYS A 475 -2.483 1.830 -6.906 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.903 1.832 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -2.580 1.710 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -2.440 0.073 -8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -4.380 -0.602 -10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -4.461 1.029 -10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -2.079 0.784 -11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -2.102 -0.881 -10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -2.817 -1.343 -13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -4.385 -0.835 -12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -3.821 0.288 -14.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -3.925 1.415 -13.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.405 0.923 -13.862 1.00 0.00 H new ATOM 429 N LYS A 476 -4.282 -0.866 -6.581 1.00 0.00 N ATOM 430 CA LYS A 476 -4.866 -2.106 -6.081 1.00 0.00 C ATOM 431 C LYS A 476 -6.240 -1.856 -5.468 1.00 0.00 C ATOM 432 O LYS A 476 -7.114 -2.722 -5.510 1.00 0.00 O ATOM 433 CB LYS A 476 -3.942 -2.747 -5.044 1.00 0.00 C ATOM 434 CG LYS A 476 -2.569 -3.105 -5.589 1.00 0.00 C ATOM 435 CD LYS A 476 -2.647 -4.248 -6.589 1.00 0.00 C ATOM 436 CE LYS A 476 -2.545 -5.600 -5.899 1.00 0.00 C ATOM 437 NZ LYS A 476 -3.446 -6.609 -6.520 1.00 0.00 N ATOM 0 H LYS A 476 -3.390 -0.618 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.984 -2.786 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.823 -2.063 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -4.416 -3.649 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -2.127 -2.231 -6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -1.911 -3.384 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.586 -4.189 -7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -1.844 -4.149 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -1.515 -5.955 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -2.796 -5.489 -4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -3.347 -7.516 -6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -4.431 -6.283 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -3.190 -6.734 -7.520 1.00 0.00 H new ATOM 451 N PHE A 477 -6.424 -0.670 -4.898 1.00 0.00 N ATOM 452 CA PHE A 477 -7.692 -0.311 -4.275 1.00 0.00 C ATOM 453 C PHE A 477 -8.555 0.518 -5.222 1.00 0.00 C ATOM 454 O PHE A 477 -9.378 1.322 -4.783 1.00 0.00 O ATOM 455 CB PHE A 477 -7.446 0.467 -2.981 1.00 0.00 C ATOM 456 CG PHE A 477 -6.756 -0.339 -1.918 1.00 0.00 C ATOM 457 CD1 PHE A 477 -7.467 -1.242 -1.144 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.397 -0.194 -1.694 1.00 0.00 C ATOM 459 CE1 PHE A 477 -6.835 -1.985 -0.165 1.00 0.00 C ATOM 460 CE2 PHE A 477 -4.759 -0.934 -0.716 1.00 0.00 C ATOM 461 CZ PHE A 477 -5.479 -1.830 0.049 1.00 0.00 C ATOM 0 H PHE A 477 -5.711 0.058 -4.855 1.00 0.00 H new ATOM 0 HA PHE A 477 -8.225 -1.233 -4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.845 1.348 -3.205 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.401 0.823 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.527 -1.367 -1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.829 0.505 -2.290 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -7.400 -2.686 0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -3.699 -0.811 -0.551 1.00 0.00 H new ATOM 0 HZ PHE A 477 -4.983 -2.409 0.814 1.00 0.00 H new ATOM 471 N GLN A 478 -8.364 0.318 -6.523 1.00 0.00 N ATOM 472 CA GLN A 478 -9.129 1.050 -7.527 1.00 0.00 C ATOM 473 C GLN A 478 -9.713 0.099 -8.567 1.00 0.00 C ATOM 474 O GLN A 478 -9.189 -0.993 -8.788 1.00 0.00 O ATOM 475 CB GLN A 478 -8.245 2.094 -8.211 1.00 0.00 C ATOM 476 CG GLN A 478 -7.822 3.229 -7.293 1.00 0.00 C ATOM 477 CD GLN A 478 -8.976 4.142 -6.926 1.00 0.00 C ATOM 478 OE1 GLN A 478 -9.103 4.447 -5.640 1.00 0.00 O flip ATOM 479 NE2 GLN A 478 -9.744 4.568 -7.789 1.00 0.00 N flip ATOM 0 H GLN A 478 -7.688 -0.343 -6.906 1.00 0.00 H new ATOM 0 HA GLN A 478 -9.952 1.556 -7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.354 1.603 -8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -8.781 2.509 -9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -7.389 2.813 -6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -7.041 3.814 -7.780 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -9.608 4.307 -8.766 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -10.516 5.181 -7.527 1.00 0.00 H new ATOM 488 N THR A 479 -10.801 0.524 -9.204 1.00 0.00 N ATOM 489 CA THR A 479 -11.460 -0.286 -10.224 1.00 0.00 C ATOM 490 C THR A 479 -11.818 -1.668 -9.682 1.00 0.00 C ATOM 491 O THR A 479 -11.361 -2.688 -10.200 1.00 0.00 O ATOM 492 CB THR A 479 -10.562 -0.422 -11.456 1.00 0.00 C ATOM 493 OG1 THR A 479 -9.517 -1.348 -11.217 1.00 0.00 O ATOM 494 CG2 THR A 479 -9.929 0.885 -11.883 1.00 0.00 C ATOM 0 H THR A 479 -11.245 1.426 -9.031 1.00 0.00 H new ATOM 0 HA THR A 479 -12.383 0.218 -10.510 1.00 0.00 H new ATOM 0 HB THR A 479 -11.219 -0.767 -12.254 1.00 0.00 H new ATOM 0 HG1 THR A 479 -9.532 -1.623 -10.277 1.00 0.00 H new ATOM 0 HG21 THR A 479 -9.306 0.718 -12.761 1.00 0.00 H new ATOM 0 HG22 THR A 479 -10.710 1.606 -12.125 1.00 0.00 H new ATOM 0 HG23 THR A 479 -9.315 1.274 -11.071 1.00 0.00 H new ATOM 502 N LYS A 480 -12.640 -1.693 -8.638 1.00 0.00 N ATOM 503 CA LYS A 480 -13.061 -2.949 -8.028 1.00 0.00 C ATOM 504 C LYS A 480 -14.364 -2.771 -7.255 1.00 0.00 C ATOM 505 O LYS A 480 -15.428 -3.195 -7.706 1.00 0.00 O ATOM 506 CB LYS A 480 -11.970 -3.482 -7.096 1.00 0.00 C ATOM 507 CG LYS A 480 -10.689 -3.869 -7.816 1.00 0.00 C ATOM 508 CD LYS A 480 -9.840 -4.808 -6.974 1.00 0.00 C ATOM 509 CE LYS A 480 -9.436 -4.164 -5.658 1.00 0.00 C ATOM 510 NZ LYS A 480 -10.403 -4.474 -4.568 1.00 0.00 N ATOM 0 H LYS A 480 -13.027 -0.859 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 480 -13.230 -3.671 -8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -11.741 -2.723 -6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -12.353 -4.351 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -10.933 -4.349 -8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -10.117 -2.972 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -10.396 -5.724 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -8.947 -5.091 -7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -8.443 -4.513 -5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -9.369 -3.084 -5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -9.892 -4.571 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -11.098 -3.704 -4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -10.896 -5.364 -4.784 1.00 0.00 H new ATOM 524 N LYS A 481 -14.273 -2.142 -6.087 1.00 0.00 N ATOM 525 CA LYS A 481 -15.446 -1.910 -5.252 1.00 0.00 C ATOM 526 C LYS A 481 -15.393 -0.528 -4.608 1.00 0.00 C ATOM 527 O LYS A 481 -16.380 0.207 -4.611 1.00 0.00 O ATOM 528 CB LYS A 481 -15.547 -2.986 -4.169 1.00 0.00 C ATOM 529 CG LYS A 481 -15.567 -4.402 -4.720 1.00 0.00 C ATOM 530 CD LYS A 481 -16.808 -4.658 -5.561 1.00 0.00 C ATOM 531 CE LYS A 481 -17.793 -5.564 -4.842 1.00 0.00 C ATOM 532 NZ LYS A 481 -17.573 -6.999 -5.174 1.00 0.00 N ATOM 0 H LYS A 481 -13.400 -1.785 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 481 -16.329 -1.960 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -14.704 -2.883 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -16.452 -2.819 -3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -14.676 -4.570 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -15.532 -5.114 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -17.290 -3.709 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -16.519 -5.113 -6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -17.698 -5.422 -3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -18.810 -5.281 -5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -18.265 -7.584 -4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -17.689 -7.140 -6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -16.611 -7.277 -4.893 1.00 0.00 H new ATOM 546 N THR A 482 -14.234 -0.180 -4.056 1.00 0.00 N ATOM 547 CA THR A 482 -14.054 1.115 -3.408 1.00 0.00 C ATOM 548 C THR A 482 -14.362 2.256 -4.373 1.00 0.00 C ATOM 549 O THR A 482 -13.787 2.336 -5.459 1.00 0.00 O ATOM 550 CB THR A 482 -12.625 1.250 -2.881 1.00 0.00 C ATOM 551 OG1 THR A 482 -11.713 1.442 -3.948 1.00 0.00 O ATOM 552 CG2 THR A 482 -12.160 0.044 -2.093 1.00 0.00 C ATOM 0 H THR A 482 -13.406 -0.776 -4.045 1.00 0.00 H new ATOM 0 HA THR A 482 -14.750 1.174 -2.572 1.00 0.00 H new ATOM 0 HB THR A 482 -12.644 2.113 -2.216 1.00 0.00 H new ATOM 0 HG1 THR A 482 -10.810 1.198 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 482 -11.139 0.206 -1.749 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.814 -0.103 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 482 -12.192 -0.841 -2.729 1.00 0.00 H new ATOM 560 N GLY A 483 -15.273 3.135 -3.969 1.00 0.00 N ATOM 561 CA GLY A 483 -15.642 4.260 -4.809 1.00 0.00 C ATOM 562 C GLY A 483 -15.166 5.585 -4.248 1.00 0.00 C ATOM 563 O GLY A 483 -15.791 6.622 -4.472 1.00 0.00 O ATOM 0 H GLY A 483 -15.762 3.089 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -15.222 4.119 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -16.726 4.285 -4.921 1.00 0.00 H new ATOM 567 N LEU A 484 -14.058 5.552 -3.515 1.00 0.00 N ATOM 568 CA LEU A 484 -13.499 6.760 -2.920 1.00 0.00 C ATOM 569 C LEU A 484 -12.633 7.512 -3.926 1.00 0.00 C ATOM 570 O LEU A 484 -11.974 6.903 -4.769 1.00 0.00 O ATOM 571 CB LEU A 484 -12.674 6.410 -1.681 1.00 0.00 C ATOM 572 CG LEU A 484 -13.424 5.622 -0.605 1.00 0.00 C ATOM 573 CD1 LEU A 484 -12.535 5.397 0.609 1.00 0.00 C ATOM 574 CD2 LEU A 484 -14.700 6.348 -0.206 1.00 0.00 C ATOM 0 H LEU A 484 -13.530 4.702 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 484 -14.327 7.405 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -11.805 5.832 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -12.300 7.334 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 484 -13.695 4.650 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -13.085 4.835 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -11.649 4.835 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -12.233 6.359 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -15.221 5.774 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -14.450 7.334 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -15.344 6.457 -1.078 1.00 0.00 H new ATOM 586 N SER A 485 -12.641 8.837 -3.832 1.00 0.00 N ATOM 587 CA SER A 485 -11.855 9.671 -4.735 1.00 0.00 C ATOM 588 C SER A 485 -10.366 9.377 -4.589 1.00 0.00 C ATOM 589 O SER A 485 -9.927 8.832 -3.576 1.00 0.00 O ATOM 590 CB SER A 485 -12.124 11.152 -4.458 1.00 0.00 C ATOM 591 OG SER A 485 -11.471 11.577 -3.275 1.00 0.00 O ATOM 0 H SER A 485 -13.182 9.357 -3.141 1.00 0.00 H new ATOM 0 HA SER A 485 -12.154 9.439 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 485 -11.781 11.751 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 485 -13.197 11.318 -4.364 1.00 0.00 H new ATOM 0 HG SER A 485 -11.523 12.553 -3.205 1.00 0.00 H new ATOM 597 N SER A 486 -9.594 9.740 -5.607 1.00 0.00 N ATOM 598 CA SER A 486 -8.153 9.514 -5.592 1.00 0.00 C ATOM 599 C SER A 486 -7.496 10.261 -4.436 1.00 0.00 C ATOM 600 O SER A 486 -6.524 9.787 -3.850 1.00 0.00 O ATOM 601 CB SER A 486 -7.532 9.955 -6.918 1.00 0.00 C ATOM 602 OG SER A 486 -7.599 11.363 -7.070 1.00 0.00 O ATOM 0 H SER A 486 -9.941 10.192 -6.453 1.00 0.00 H new ATOM 0 HA SER A 486 -7.980 8.446 -5.455 1.00 0.00 H new ATOM 0 HB2 SER A 486 -6.492 9.631 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 486 -8.052 9.472 -7.745 1.00 0.00 H new ATOM 0 HG SER A 486 -7.194 11.619 -7.925 1.00 0.00 H new ATOM 608 N GLU A 487 -8.034 11.433 -4.113 1.00 0.00 N ATOM 609 CA GLU A 487 -7.500 12.246 -3.026 1.00 0.00 C ATOM 610 C GLU A 487 -7.775 11.597 -1.674 1.00 0.00 C ATOM 611 O GLU A 487 -6.938 11.642 -0.771 1.00 0.00 O ATOM 612 CB GLU A 487 -8.108 13.650 -3.065 1.00 0.00 C ATOM 613 CG GLU A 487 -7.501 14.603 -2.047 1.00 0.00 C ATOM 614 CD GLU A 487 -8.183 15.958 -2.036 1.00 0.00 C ATOM 615 OE1 GLU A 487 -9.158 16.141 -2.795 1.00 0.00 O ATOM 616 OE2 GLU A 487 -7.741 16.838 -1.267 1.00 0.00 O ATOM 0 H GLU A 487 -8.839 11.841 -4.588 1.00 0.00 H new ATOM 0 HA GLU A 487 -6.421 12.321 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -7.977 14.066 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -9.181 13.578 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -7.568 14.159 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -6.441 14.736 -2.266 1.00 0.00 H new ATOM 623 N GLN A 488 -8.952 10.997 -1.539 1.00 0.00 N ATOM 624 CA GLN A 488 -9.337 10.339 -0.296 1.00 0.00 C ATOM 625 C GLN A 488 -8.647 8.985 -0.157 1.00 0.00 C ATOM 626 O GLN A 488 -8.232 8.598 0.935 1.00 0.00 O ATOM 627 CB GLN A 488 -10.855 10.159 -0.238 1.00 0.00 C ATOM 628 CG GLN A 488 -11.621 11.471 -0.187 1.00 0.00 C ATOM 629 CD GLN A 488 -13.121 11.266 -0.093 1.00 0.00 C ATOM 630 OE1 GLN A 488 -13.788 11.013 -1.095 1.00 0.00 O ATOM 631 NE2 GLN A 488 -13.658 11.377 1.117 1.00 0.00 N ATOM 0 H GLN A 488 -9.657 10.953 -2.275 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.021 10.973 0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.179 9.592 -1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.109 9.565 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.283 12.052 0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -11.393 12.056 -1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -13.066 11.588 1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -14.662 11.251 1.243 1.00 0.00 H new ATOM 640 N THR A 489 -8.531 8.268 -1.270 1.00 0.00 N ATOM 641 CA THR A 489 -7.895 6.955 -1.273 1.00 0.00 C ATOM 642 C THR A 489 -6.444 7.047 -0.812 1.00 0.00 C ATOM 643 O THR A 489 -6.008 6.286 0.051 1.00 0.00 O ATOM 644 CB THR A 489 -7.959 6.338 -2.671 1.00 0.00 C ATOM 645 OG1 THR A 489 -9.292 6.320 -3.151 1.00 0.00 O ATOM 646 CG2 THR A 489 -7.433 4.920 -2.723 1.00 0.00 C ATOM 0 H THR A 489 -8.869 8.574 -2.182 1.00 0.00 H new ATOM 0 HA THR A 489 -8.437 6.317 -0.575 1.00 0.00 H new ATOM 0 HB THR A 489 -7.324 6.967 -3.294 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.508 7.189 -3.550 1.00 0.00 H new ATOM 0 HG21 THR A 489 -7.507 4.542 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 489 -6.390 4.907 -2.406 1.00 0.00 H new ATOM 0 HG23 THR A 489 -8.023 4.289 -2.058 1.00 0.00 H new ATOM 654 N VAL A 490 -5.699 7.981 -1.396 1.00 0.00 N ATOM 655 CA VAL A 490 -4.301 8.171 -1.051 1.00 0.00 C ATOM 656 C VAL A 490 -4.130 8.461 0.437 1.00 0.00 C ATOM 657 O VAL A 490 -3.247 7.906 1.090 1.00 0.00 O ATOM 658 CB VAL A 490 -3.687 9.325 -1.861 1.00 0.00 C ATOM 659 CG1 VAL A 490 -3.576 8.948 -3.330 1.00 0.00 C ATOM 660 CG2 VAL A 490 -4.504 10.597 -1.689 1.00 0.00 C ATOM 0 H VAL A 490 -6.045 8.619 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.784 7.243 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 490 -2.683 9.514 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -3.139 9.777 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.941 8.068 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -4.568 8.728 -3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -4.052 11.401 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -5.522 10.425 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -4.523 10.877 -0.636 1.00 0.00 H new ATOM 670 N ASN A 491 -4.981 9.334 0.965 1.00 0.00 N ATOM 671 CA ASN A 491 -4.926 9.701 2.376 1.00 0.00 C ATOM 672 C ASN A 491 -5.033 8.466 3.267 1.00 0.00 C ATOM 673 O ASN A 491 -4.390 8.387 4.313 1.00 0.00 O ATOM 674 CB ASN A 491 -6.048 10.685 2.712 1.00 0.00 C ATOM 675 CG ASN A 491 -5.894 12.007 1.986 1.00 0.00 C ATOM 676 OD1 ASN A 491 -4.818 12.331 1.485 1.00 0.00 O ATOM 677 ND2 ASN A 491 -6.973 12.778 1.927 1.00 0.00 N ATOM 0 H ASN A 491 -5.718 9.801 0.437 1.00 0.00 H new ATOM 0 HA ASN A 491 -3.964 10.178 2.563 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -7.008 10.240 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -6.061 10.863 3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -6.930 13.680 1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -7.845 12.469 2.357 1.00 0.00 H new ATOM 684 N VAL A 492 -5.848 7.505 2.844 1.00 0.00 N ATOM 685 CA VAL A 492 -6.037 6.276 3.605 1.00 0.00 C ATOM 686 C VAL A 492 -4.748 5.462 3.659 1.00 0.00 C ATOM 687 O VAL A 492 -4.351 4.980 4.720 1.00 0.00 O ATOM 688 CB VAL A 492 -7.156 5.406 3.000 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.436 4.201 3.885 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.418 6.229 2.789 1.00 0.00 C ATOM 0 H VAL A 492 -6.387 7.554 1.980 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.323 6.569 4.615 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.822 5.042 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.229 3.600 3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.532 3.599 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.748 4.540 4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.197 5.598 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.758 6.626 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.205 7.054 2.109 1.00 0.00 H new ATOM 700 N LEU A 493 -4.100 5.313 2.509 1.00 0.00 N ATOM 701 CA LEU A 493 -2.855 4.557 2.426 1.00 0.00 C ATOM 702 C LEU A 493 -1.749 5.241 3.222 1.00 0.00 C ATOM 703 O LEU A 493 -0.919 4.580 3.845 1.00 0.00 O ATOM 704 CB LEU A 493 -2.427 4.398 0.965 1.00 0.00 C ATOM 705 CG LEU A 493 -3.233 3.376 0.162 1.00 0.00 C ATOM 706 CD1 LEU A 493 -4.601 3.937 -0.195 1.00 0.00 C ATOM 707 CD2 LEU A 493 -2.477 2.971 -1.094 1.00 0.00 C ATOM 0 H LEU A 493 -4.416 5.705 1.622 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.028 3.570 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.504 5.367 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -1.376 4.110 0.939 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.377 2.489 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -5.160 3.196 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -5.145 4.178 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -4.479 4.840 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.065 2.243 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.303 3.851 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.521 2.528 -0.816 1.00 0.00 H new ATOM 719 N ALA A 494 -1.743 6.570 3.197 1.00 0.00 N ATOM 720 CA ALA A 494 -0.739 7.342 3.919 1.00 0.00 C ATOM 721 C ALA A 494 -0.880 7.152 5.424 1.00 0.00 C ATOM 722 O ALA A 494 0.113 7.053 6.145 1.00 0.00 O ATOM 723 CB ALA A 494 -0.845 8.815 3.557 1.00 0.00 C ATOM 0 H ALA A 494 -2.422 7.134 2.685 1.00 0.00 H new ATOM 0 HA ALA A 494 0.245 6.978 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.089 9.379 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.686 8.939 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.836 9.184 3.822 1.00 0.00 H new ATOM 729 N GLN A 495 -2.122 7.102 5.891 1.00 0.00 N ATOM 730 CA GLN A 495 -2.400 6.923 7.311 1.00 0.00 C ATOM 731 C GLN A 495 -2.191 5.471 7.729 1.00 0.00 C ATOM 732 O GLN A 495 -1.597 5.194 8.771 1.00 0.00 O ATOM 733 CB GLN A 495 -3.832 7.355 7.630 1.00 0.00 C ATOM 734 CG GLN A 495 -4.085 8.838 7.408 1.00 0.00 C ATOM 735 CD GLN A 495 -5.525 9.229 7.672 1.00 0.00 C ATOM 736 OE1 GLN A 495 -6.420 8.383 7.678 1.00 0.00 O ATOM 737 NE2 GLN A 495 -5.758 10.518 7.892 1.00 0.00 N ATOM 0 H GLN A 495 -2.954 7.183 5.306 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.705 7.547 7.872 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.522 6.781 7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -4.054 7.109 8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.430 9.416 8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.824 9.098 6.382 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -4.987 11.185 7.878 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -6.708 10.841 8.075 1.00 0.00 H new ATOM 746 N ILE A 496 -2.684 4.547 6.910 1.00 0.00 N ATOM 747 CA ILE A 496 -2.553 3.124 7.195 1.00 0.00 C ATOM 748 C ILE A 496 -1.088 2.698 7.189 1.00 0.00 C ATOM 749 O ILE A 496 -0.638 1.960 8.066 1.00 0.00 O ATOM 750 CB ILE A 496 -3.358 2.275 6.181 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.869 0.996 6.846 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.532 1.939 4.944 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.053 0.377 6.135 1.00 0.00 C ATOM 0 H ILE A 496 -3.178 4.759 6.043 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.961 2.950 8.191 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.211 2.871 5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.059 0.268 6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -4.149 1.218 7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.132 1.343 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.224 2.861 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.648 1.373 5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.362 -0.526 6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.879 1.088 6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -4.772 0.123 5.113 1.00 0.00 H new ATOM 765 N LEU A 497 -0.353 3.170 6.191 1.00 0.00 N ATOM 766 CA LEU A 497 1.062 2.845 6.059 1.00 0.00 C ATOM 767 C LEU A 497 1.865 3.421 7.222 1.00 0.00 C ATOM 768 O LEU A 497 2.838 2.819 7.675 1.00 0.00 O ATOM 769 CB LEU A 497 1.608 3.379 4.733 1.00 0.00 C ATOM 770 CG LEU A 497 1.088 2.666 3.485 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.395 3.482 2.238 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.693 1.275 3.376 1.00 0.00 C ATOM 0 H LEU A 497 -0.714 3.781 5.459 1.00 0.00 H new ATOM 0 HA LEU A 497 1.162 1.760 6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.362 4.438 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.695 3.304 4.749 1.00 0.00 H new ATOM 0 HG LEU A 497 0.006 2.565 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.018 2.959 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 497 0.915 4.457 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.473 3.615 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.312 0.782 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.778 1.354 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.423 0.691 4.256 1.00 0.00 H new ATOM 784 N LYS A 498 1.450 4.590 7.699 1.00 0.00 N ATOM 785 CA LYS A 498 2.132 5.247 8.809 1.00 0.00 C ATOM 786 C LYS A 498 2.137 4.359 10.049 1.00 0.00 C ATOM 787 O LYS A 498 3.168 4.193 10.701 1.00 0.00 O ATOM 788 CB LYS A 498 1.460 6.584 9.128 1.00 0.00 C ATOM 789 CG LYS A 498 2.181 7.387 10.198 1.00 0.00 C ATOM 790 CD LYS A 498 3.452 8.021 9.657 1.00 0.00 C ATOM 791 CE LYS A 498 4.128 8.893 10.703 1.00 0.00 C ATOM 792 NZ LYS A 498 5.125 8.129 11.504 1.00 0.00 N ATOM 0 H LYS A 498 0.646 5.101 7.335 1.00 0.00 H new ATOM 0 HA LYS A 498 3.165 5.428 8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 498 1.402 7.179 8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 498 0.436 6.398 9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 498 1.519 8.165 10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 498 2.426 6.738 11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.140 7.240 9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 498 3.215 8.622 8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 498 4.622 9.731 10.212 1.00 0.00 H new ATOM 0 HE3 LYS A 498 3.373 9.313 11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 5.563 8.759 12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 4.649 7.344 11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.860 7.749 10.873 1.00 0.00 H new ATOM 806 N ARG A 499 0.980 3.789 10.368 1.00 0.00 N ATOM 807 CA ARG A 499 0.853 2.916 11.529 1.00 0.00 C ATOM 808 C ARG A 499 1.718 1.671 11.369 1.00 0.00 C ATOM 809 O ARG A 499 2.350 1.214 12.321 1.00 0.00 O ATOM 810 CB ARG A 499 -0.609 2.513 11.735 1.00 0.00 C ATOM 811 CG ARG A 499 -1.521 3.682 12.069 1.00 0.00 C ATOM 812 CD ARG A 499 -2.933 3.214 12.384 1.00 0.00 C ATOM 813 NE ARG A 499 -3.856 4.334 12.551 1.00 0.00 N ATOM 814 CZ ARG A 499 -3.883 5.119 13.625 1.00 0.00 C ATOM 815 NH1 ARG A 499 -3.040 4.910 14.629 1.00 0.00 N ATOM 816 NH2 ARG A 499 -4.755 6.115 13.696 1.00 0.00 N ATOM 0 H ARG A 499 0.117 3.916 9.839 1.00 0.00 H new ATOM 0 HA ARG A 499 1.197 3.466 12.405 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -0.974 2.025 10.831 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.665 1.778 12.538 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -1.118 4.227 12.923 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -1.546 4.377 11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -3.288 2.568 11.581 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -2.922 2.615 13.294 1.00 0.00 H new ATOM 0 HE ARG A 499 -4.519 4.526 11.800 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -2.367 4.145 14.579 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -3.065 5.515 15.450 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -5.405 6.279 12.927 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -4.776 6.717 14.519 1.00 0.00 H new ATOM 830 N LEU A 500 1.740 1.126 10.157 1.00 0.00 N ATOM 831 CA LEU A 500 2.527 -0.067 9.869 1.00 0.00 C ATOM 832 C LEU A 500 4.020 0.230 9.957 1.00 0.00 C ATOM 833 O LEU A 500 4.807 -0.612 10.388 1.00 0.00 O ATOM 834 CB LEU A 500 2.183 -0.606 8.479 1.00 0.00 C ATOM 835 CG LEU A 500 0.763 -1.155 8.331 1.00 0.00 C ATOM 836 CD1 LEU A 500 0.538 -1.678 6.921 1.00 0.00 C ATOM 837 CD2 LEU A 500 0.507 -2.250 9.356 1.00 0.00 C ATOM 0 H LEU A 500 1.222 1.492 9.358 1.00 0.00 H new ATOM 0 HA LEU A 500 2.282 -0.822 10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 500 2.325 0.193 7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.890 -1.397 8.227 1.00 0.00 H new ATOM 0 HG LEU A 500 0.058 -0.343 8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -0.477 -2.065 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 500 0.680 -0.868 6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.250 -2.477 6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.508 -2.630 9.237 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.218 -3.062 9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.627 -1.844 10.360 1.00 0.00 H new ATOM 849 N ASN A 501 4.402 1.434 9.545 1.00 0.00 N ATOM 850 CA ASN A 501 5.801 1.846 9.576 1.00 0.00 C ATOM 851 C ASN A 501 6.667 0.898 8.747 1.00 0.00 C ATOM 852 O ASN A 501 7.654 0.351 9.240 1.00 0.00 O ATOM 853 CB ASN A 501 6.308 1.892 11.019 1.00 0.00 C ATOM 854 CG ASN A 501 7.732 2.405 11.116 1.00 0.00 C ATOM 855 OD1 ASN A 501 8.270 2.961 10.159 1.00 0.00 O ATOM 856 ND2 ASN A 501 8.350 2.219 12.277 1.00 0.00 N ATOM 0 H ASN A 501 3.762 2.142 9.185 1.00 0.00 H new ATOM 0 HA ASN A 501 5.871 2.844 9.142 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.653 2.532 11.611 1.00 0.00 H new ATOM 0 HB3 ASN A 501 6.254 0.893 11.452 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.309 2.542 12.402 1.00 0.00 H new ATOM 0 HD22 ASN A 501 7.865 1.753 13.044 1.00 0.00 H new ATOM 863 N PRO A 502 6.306 0.691 7.469 1.00 0.00 N ATOM 864 CA PRO A 502 7.054 -0.195 6.571 1.00 0.00 C ATOM 865 C PRO A 502 8.415 0.378 6.192 1.00 0.00 C ATOM 866 O PRO A 502 8.612 1.594 6.198 1.00 0.00 O ATOM 867 CB PRO A 502 6.154 -0.293 5.337 1.00 0.00 C ATOM 868 CG PRO A 502 5.356 0.963 5.350 1.00 0.00 C ATOM 869 CD PRO A 502 5.143 1.303 6.800 1.00 0.00 C ATOM 0 HA PRO A 502 7.270 -1.157 7.036 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.743 -0.379 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.510 -1.171 5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.883 1.766 4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.404 0.826 4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.109 2.381 6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.204 0.896 7.174 1.00 0.00 H new ATOM 877 N GLU A 503 9.353 -0.504 5.863 1.00 0.00 N ATOM 878 CA GLU A 503 10.696 -0.086 5.480 1.00 0.00 C ATOM 879 C GLU A 503 10.738 0.329 4.013 1.00 0.00 C ATOM 880 O GLU A 503 9.881 -0.064 3.222 1.00 0.00 O ATOM 881 CB GLU A 503 11.697 -1.215 5.734 1.00 0.00 C ATOM 882 CG GLU A 503 11.458 -2.445 4.872 1.00 0.00 C ATOM 883 CD GLU A 503 11.825 -3.734 5.582 1.00 0.00 C ATOM 884 OE1 GLU A 503 11.787 -3.756 6.830 1.00 0.00 O ATOM 885 OE2 GLU A 503 12.152 -4.720 4.889 1.00 0.00 O ATOM 0 H GLU A 503 9.207 -1.514 5.854 1.00 0.00 H new ATOM 0 HA GLU A 503 10.970 0.775 6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 503 12.705 -0.844 5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 503 11.649 -1.503 6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.408 -2.481 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 503 12.041 -2.361 3.955 1.00 0.00 H new ATOM 892 N ARG A 504 11.740 1.127 3.657 1.00 0.00 N ATOM 893 CA ARG A 504 11.892 1.595 2.284 1.00 0.00 C ATOM 894 C ARG A 504 13.131 0.989 1.634 1.00 0.00 C ATOM 895 O ARG A 504 14.196 0.920 2.248 1.00 0.00 O ATOM 896 CB ARG A 504 11.981 3.122 2.252 1.00 0.00 C ATOM 897 CG ARG A 504 13.090 3.685 3.125 1.00 0.00 C ATOM 898 CD ARG A 504 12.557 4.162 4.467 1.00 0.00 C ATOM 899 NE ARG A 504 13.484 3.872 5.558 1.00 0.00 N ATOM 900 CZ ARG A 504 13.135 3.860 6.843 1.00 0.00 C ATOM 901 NH1 ARG A 504 11.884 4.122 7.201 1.00 0.00 N ATOM 902 NH2 ARG A 504 14.041 3.586 7.772 1.00 0.00 N ATOM 0 H ARG A 504 12.458 1.463 4.299 1.00 0.00 H new ATOM 0 HA ARG A 504 11.016 1.275 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 504 12.139 3.447 1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 504 11.028 3.540 2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 504 13.851 2.921 3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 504 13.574 4.514 2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.373 5.235 4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 504 11.599 3.682 4.668 1.00 0.00 H new ATOM 0 HE ARG A 504 14.455 3.667 5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 504 11.184 4.334 6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 504 11.623 4.111 8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 504 15.004 3.385 7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 504 13.775 3.576 8.757 1.00 0.00 H new ATOM 916 N LYS A 505 12.984 0.551 0.388 1.00 0.00 N ATOM 917 CA LYS A 505 14.091 -0.049 -0.348 1.00 0.00 C ATOM 918 C LYS A 505 14.227 0.577 -1.732 1.00 0.00 C ATOM 919 O LYS A 505 13.233 0.959 -2.351 1.00 0.00 O ATOM 920 CB LYS A 505 13.886 -1.560 -0.477 1.00 0.00 C ATOM 921 CG LYS A 505 13.846 -2.285 0.858 1.00 0.00 C ATOM 922 CD LYS A 505 13.762 -3.791 0.671 1.00 0.00 C ATOM 923 CE LYS A 505 13.597 -4.509 2.001 1.00 0.00 C ATOM 924 NZ LYS A 505 14.882 -4.599 2.747 1.00 0.00 N ATOM 0 H LYS A 505 12.109 0.600 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 505 15.009 0.140 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 505 12.954 -1.747 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 505 14.690 -1.977 -1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.738 -2.038 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 505 12.988 -1.940 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 505 12.922 -4.032 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 505 14.664 -4.148 0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 505 12.861 -3.983 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 505 13.208 -5.512 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 14.727 -5.095 3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 15.577 -5.123 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 15.241 -3.642 2.937 1.00 0.00 H new ATOM 938 N MET A 506 15.461 0.681 -2.212 1.00 0.00 N ATOM 939 CA MET A 506 15.724 1.262 -3.523 1.00 0.00 C ATOM 940 C MET A 506 16.036 0.175 -4.548 1.00 0.00 C ATOM 941 O MET A 506 17.121 -0.406 -4.542 1.00 0.00 O ATOM 942 CB MET A 506 16.887 2.254 -3.442 1.00 0.00 C ATOM 943 CG MET A 506 18.209 1.614 -3.051 1.00 0.00 C ATOM 944 SD MET A 506 19.398 2.810 -2.416 1.00 0.00 S ATOM 945 CE MET A 506 18.661 3.213 -0.834 1.00 0.00 C ATOM 0 H MET A 506 16.295 0.371 -1.713 1.00 0.00 H new ATOM 0 HA MET A 506 14.827 1.791 -3.844 1.00 0.00 H new ATOM 0 HB2 MET A 506 17.003 2.745 -4.408 1.00 0.00 H new ATOM 0 HB3 MET A 506 16.641 3.031 -2.718 1.00 0.00 H new ATOM 0 HG2 MET A 506 18.029 0.850 -2.295 1.00 0.00 H new ATOM 0 HG3 MET A 506 18.635 1.110 -3.918 1.00 0.00 H new ATOM 0 HE1 MET A 506 19.429 3.596 -0.162 1.00 0.00 H new ATOM 0 HE2 MET A 506 17.891 3.971 -0.974 1.00 0.00 H new ATOM 0 HE3 MET A 506 18.214 2.318 -0.402 1.00 0.00 H new ATOM 955 N ILE A 507 15.076 -0.093 -5.428 1.00 0.00 N ATOM 956 CA ILE A 507 15.247 -1.109 -6.459 1.00 0.00 C ATOM 957 C ILE A 507 15.059 -0.514 -7.851 1.00 0.00 C ATOM 958 O ILE A 507 14.024 0.085 -8.146 1.00 0.00 O ATOM 959 CB ILE A 507 14.254 -2.273 -6.271 1.00 0.00 C ATOM 960 CG1 ILE A 507 14.318 -2.797 -4.835 1.00 0.00 C ATOM 961 CG2 ILE A 507 14.549 -3.389 -7.261 1.00 0.00 C ATOM 962 CD1 ILE A 507 13.270 -3.844 -4.527 1.00 0.00 C ATOM 0 H ILE A 507 14.172 0.380 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 507 16.264 -1.490 -6.363 1.00 0.00 H new ATOM 0 HB ILE A 507 13.246 -1.905 -6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 507 15.306 -3.220 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 507 14.198 -1.961 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.839 -4.203 -7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 507 14.458 -3.007 -8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 507 15.562 -3.759 -7.101 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.375 -4.170 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 507 12.277 -3.419 -4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 507 13.402 -4.698 -5.192 1.00 0.00 H new ATOM 974 N ASN A 508 16.064 -0.683 -8.703 1.00 0.00 N ATOM 975 CA ASN A 508 16.009 -0.162 -10.065 1.00 0.00 C ATOM 976 C ASN A 508 15.798 1.349 -10.061 1.00 0.00 C ATOM 977 O ASN A 508 14.992 1.877 -10.828 1.00 0.00 O ATOM 978 CB ASN A 508 14.887 -0.846 -10.849 1.00 0.00 C ATOM 979 CG ASN A 508 15.009 -2.357 -10.833 1.00 0.00 C ATOM 980 OD1 ASN A 508 14.035 -3.067 -10.585 1.00 0.00 O ATOM 981 ND2 ASN A 508 16.210 -2.857 -11.099 1.00 0.00 N ATOM 0 H ASN A 508 16.927 -1.177 -8.475 1.00 0.00 H new ATOM 0 HA ASN A 508 16.962 -0.375 -10.549 1.00 0.00 H new ATOM 0 HB2 ASN A 508 13.924 -0.557 -10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 508 14.901 -0.494 -11.880 1.00 0.00 H new ATOM 0 HD21 ASN A 508 16.352 -3.867 -11.103 1.00 0.00 H new ATOM 0 HD22 ASN A 508 16.990 -2.231 -11.299 1.00 0.00 H new ATOM 988 N ASP A 509 16.528 2.041 -9.192 1.00 0.00 N ATOM 989 CA ASP A 509 16.421 3.491 -9.086 1.00 0.00 C ATOM 990 C ASP A 509 15.008 3.905 -8.687 1.00 0.00 C ATOM 991 O ASP A 509 14.532 4.974 -9.070 1.00 0.00 O ATOM 992 CB ASP A 509 16.802 4.150 -10.414 1.00 0.00 C ATOM 993 CG ASP A 509 16.929 5.657 -10.297 1.00 0.00 C ATOM 994 OD1 ASP A 509 17.008 6.160 -9.157 1.00 0.00 O ATOM 995 OD2 ASP A 509 16.949 6.333 -11.347 1.00 0.00 O ATOM 0 H ASP A 509 17.200 1.620 -8.551 1.00 0.00 H new ATOM 0 HA ASP A 509 17.111 3.825 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.747 3.735 -10.764 1.00 0.00 H new ATOM 0 HB3 ASP A 509 16.050 3.909 -11.165 1.00 0.00 H new ATOM 1000 N LYS A 510 14.343 3.052 -7.915 1.00 0.00 N ATOM 1001 CA LYS A 510 12.985 3.328 -7.463 1.00 0.00 C ATOM 1002 C LYS A 510 12.795 2.887 -6.015 1.00 0.00 C ATOM 1003 O LYS A 510 13.299 1.843 -5.602 1.00 0.00 O ATOM 1004 CB LYS A 510 11.970 2.620 -8.362 1.00 0.00 C ATOM 1005 CG LYS A 510 10.528 2.996 -8.064 1.00 0.00 C ATOM 1006 CD LYS A 510 9.559 2.232 -8.952 1.00 0.00 C ATOM 1007 CE LYS A 510 8.134 2.733 -8.781 1.00 0.00 C ATOM 1008 NZ LYS A 510 7.745 3.683 -9.860 1.00 0.00 N ATOM 0 H LYS A 510 14.723 2.163 -7.589 1.00 0.00 H new ATOM 0 HA LYS A 510 12.821 4.404 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.191 2.857 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 510 12.087 1.542 -8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 510 10.305 2.788 -7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 510 10.392 4.067 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 510 9.860 2.336 -9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 510 9.604 1.170 -8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 510 7.449 1.885 -8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 510 8.036 3.224 -7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 6.767 4.001 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 8.382 4.505 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 7.814 3.208 -10.782 1.00 0.00 H new ATOM 1022 N MET A 511 12.063 3.689 -5.249 1.00 0.00 N ATOM 1023 CA MET A 511 11.806 3.381 -3.847 1.00 0.00 C ATOM 1024 C MET A 511 10.603 2.455 -3.705 1.00 0.00 C ATOM 1025 O MET A 511 9.575 2.653 -4.353 1.00 0.00 O ATOM 1026 CB MET A 511 11.570 4.669 -3.055 1.00 0.00 C ATOM 1027 CG MET A 511 12.787 5.577 -2.994 1.00 0.00 C ATOM 1028 SD MET A 511 12.545 6.990 -1.900 1.00 0.00 S ATOM 1029 CE MET A 511 12.613 6.194 -0.297 1.00 0.00 C ATOM 0 H MET A 511 11.637 4.557 -5.575 1.00 0.00 H new ATOM 0 HA MET A 511 12.682 2.872 -3.446 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.741 5.216 -3.505 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.268 4.411 -2.040 1.00 0.00 H new ATOM 0 HG2 MET A 511 13.648 5.002 -2.653 1.00 0.00 H new ATOM 0 HG3 MET A 511 13.019 5.935 -3.997 1.00 0.00 H new ATOM 0 HE1 MET A 511 12.765 6.947 0.477 1.00 0.00 H new ATOM 0 HE2 MET A 511 11.677 5.667 -0.112 1.00 0.00 H new ATOM 0 HE3 MET A 511 13.439 5.483 -0.279 1.00 0.00 H new ATOM 1039 N HIS A 512 10.738 1.444 -2.853 1.00 0.00 N ATOM 1040 CA HIS A 512 9.662 0.487 -2.624 1.00 0.00 C ATOM 1041 C HIS A 512 9.425 0.282 -1.131 1.00 0.00 C ATOM 1042 O HIS A 512 10.203 0.749 -0.300 1.00 0.00 O ATOM 1043 CB HIS A 512 9.992 -0.851 -3.288 1.00 0.00 C ATOM 1044 CG HIS A 512 10.060 -0.778 -4.782 1.00 0.00 C ATOM 1045 ND1 HIS A 512 11.216 -0.471 -5.468 1.00 0.00 N ATOM 1046 CD2 HIS A 512 9.108 -0.977 -5.724 1.00 0.00 C ATOM 1047 CE1 HIS A 512 10.971 -0.483 -6.767 1.00 0.00 C ATOM 1048 NE2 HIS A 512 9.700 -0.788 -6.948 1.00 0.00 N ATOM 0 H HIS A 512 11.583 1.266 -2.309 1.00 0.00 H new ATOM 0 HA HIS A 512 8.751 0.890 -3.066 1.00 0.00 H new ATOM 0 HB2 HIS A 512 10.948 -1.211 -2.906 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.238 -1.585 -3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 512 8.075 -1.236 -5.546 1.00 0.00 H new ATOM 0 HE1 HIS A 512 11.689 -0.278 -7.547 1.00 0.00 H new ATOM 0 HE2 HIS A 512 9.233 -0.870 -7.851 1.00 0.00 H new ATOM 1057 N PHE A 513 8.347 -0.420 -0.799 1.00 0.00 N ATOM 1058 CA PHE A 513 8.008 -0.687 0.594 1.00 0.00 C ATOM 1059 C PHE A 513 8.035 -2.185 0.882 1.00 0.00 C ATOM 1060 O PHE A 513 7.798 -3.002 -0.007 1.00 0.00 O ATOM 1061 CB PHE A 513 6.628 -0.116 0.924 1.00 0.00 C ATOM 1062 CG PHE A 513 6.565 1.382 0.845 1.00 0.00 C ATOM 1063 CD1 PHE A 513 6.233 2.014 -0.343 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.838 2.160 1.959 1.00 0.00 C ATOM 1065 CE1 PHE A 513 6.175 3.392 -0.418 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.782 3.539 1.890 1.00 0.00 C ATOM 1067 CZ PHE A 513 6.450 4.156 0.699 1.00 0.00 C ATOM 0 H PHE A 513 7.693 -0.814 -1.475 1.00 0.00 H new ATOM 0 HA PHE A 513 8.753 -0.201 1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.895 -0.539 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.344 -0.431 1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 513 6.017 1.422 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 513 7.098 1.683 2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 513 5.915 3.872 -1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 513 6.997 4.134 2.766 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.406 5.234 0.642 1.00 0.00 H new ATOM 1077 N SER A 514 8.326 -2.537 2.130 1.00 0.00 N ATOM 1078 CA SER A 514 8.385 -3.936 2.536 1.00 0.00 C ATOM 1079 C SER A 514 8.019 -4.090 4.008 1.00 0.00 C ATOM 1080 O SER A 514 8.307 -3.214 4.824 1.00 0.00 O ATOM 1081 CB SER A 514 9.783 -4.504 2.283 1.00 0.00 C ATOM 1082 OG SER A 514 9.827 -5.893 2.562 1.00 0.00 O ATOM 0 H SER A 514 8.525 -1.872 2.878 1.00 0.00 H new ATOM 0 HA SER A 514 7.662 -4.493 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.068 -4.329 1.246 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.509 -3.982 2.905 1.00 0.00 H new ATOM 0 HG SER A 514 10.730 -6.233 2.391 1.00 0.00 H new ATOM 1088 N LEU A 515 7.383 -5.208 4.341 1.00 0.00 N ATOM 1089 CA LEU A 515 6.978 -5.475 5.716 1.00 0.00 C ATOM 1090 C LEU A 515 7.544 -6.806 6.201 1.00 0.00 C ATOM 1091 O LEU A 515 7.468 -7.816 5.502 1.00 0.00 O ATOM 1092 CB LEU A 515 5.452 -5.481 5.827 1.00 0.00 C ATOM 1093 CG LEU A 515 4.889 -4.704 7.021 1.00 0.00 C ATOM 1094 CD1 LEU A 515 3.924 -3.624 6.552 1.00 0.00 C ATOM 1095 CD2 LEU A 515 4.201 -5.648 7.997 1.00 0.00 C ATOM 0 H LEU A 515 7.137 -5.943 3.678 1.00 0.00 H new ATOM 0 HA LEU A 515 7.377 -4.682 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.034 -5.064 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.111 -6.514 5.891 1.00 0.00 H new ATOM 0 HG LEU A 515 5.719 -4.221 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 515 3.535 -3.084 7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 515 4.447 -2.929 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.098 -4.085 6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 515 3.807 -5.078 8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 515 3.383 -6.161 7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 515 4.920 -6.382 8.361 1.00 0.00 H new ATOM 1107 N LYS A 516 8.111 -6.798 7.403 1.00 0.00 N ATOM 1108 CA LYS A 516 8.689 -8.005 7.983 1.00 0.00 C ATOM 1109 C LYS A 516 7.629 -8.816 8.719 1.00 0.00 C ATOM 1110 O LYS A 516 6.895 -8.286 9.553 1.00 0.00 O ATOM 1111 CB LYS A 516 9.826 -7.641 8.940 1.00 0.00 C ATOM 1112 CG LYS A 516 10.999 -6.956 8.259 1.00 0.00 C ATOM 1113 CD LYS A 516 12.082 -6.583 9.258 1.00 0.00 C ATOM 1114 CE LYS A 516 12.803 -7.813 9.785 1.00 0.00 C ATOM 1115 NZ LYS A 516 13.128 -7.689 11.232 1.00 0.00 N ATOM 0 H LYS A 516 8.183 -5.970 7.994 1.00 0.00 H new ATOM 0 HA LYS A 516 9.087 -8.614 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 516 9.437 -6.987 9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.181 -8.547 9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 516 11.416 -7.616 7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 516 10.651 -6.059 7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 516 12.801 -5.914 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 516 11.638 -6.036 10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 516 12.181 -8.694 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 516 13.722 -7.966 9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 13.619 -8.548 11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.743 -6.863 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 12.250 -7.569 11.776 1.00 0.00 H new ATOM 1129 N GLU A 517 7.555 -10.106 8.406 1.00 0.00 N ATOM 1130 CA GLU A 517 6.584 -10.992 9.038 1.00 0.00 C ATOM 1131 C GLU A 517 7.002 -11.327 10.466 1.00 0.00 C ATOM 1132 O GLU A 517 6.110 -11.437 11.332 1.00 0.00 O ATOM 1133 CB GLU A 517 6.431 -12.278 8.224 1.00 0.00 C ATOM 1134 CG GLU A 517 5.864 -12.053 6.832 1.00 0.00 C ATOM 1135 CD GLU A 517 6.910 -11.567 5.847 1.00 0.00 C ATOM 1136 OE1 GLU A 517 8.115 -11.714 6.140 1.00 0.00 O ATOM 1137 OE2 GLU A 517 6.523 -11.039 4.783 1.00 0.00 O ATOM 1138 OXT GLU A 517 8.219 -11.477 10.705 1.00 0.00 O ATOM 0 H GLU A 517 8.156 -10.561 7.719 1.00 0.00 H new ATOM 0 HA GLU A 517 5.625 -10.475 9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 517 7.404 -12.761 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 517 5.781 -12.966 8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 517 5.430 -12.983 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 517 5.055 -11.324 6.887 1.00 0.00 H new