USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 325 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 459 HIS : no HD1:sc= 0.189 X(o=-4.1,f=-4.5) USER MOD Set 1.2: A 467 CYS SG : rot 144:sc= -2.88! USER MOD Set 1.3: A 469 CYS SG : rot -66:sc= -1.4! USER MOD Set 2.1: A 462 ASN : amide:sc= 2.29 K(o=2.9,f=-5.9!) USER MOD Set 2.2: A 463 SER OG : rot 180:sc= 0.00117 USER MOD Set 2.3: A 474 ASN : amide:sc= 0.619 K(o=2.9,f=-7) USER MOD Set 3.1: A 447 HIS :FLIP no HD1:sc= 0.27 F(o=-2.4,f=-1.1) USER MOD Set 3.2: A 449 HIS : no HE2:sc= -1.33 K(o=-1.1,f=-2.4) USER MOD Set 3.3: A 455 CYS SG : rot 122:sc= 0.0124 USER MOD Set 3.4: A 485 HIS : no HE2:sc= -0.0478 K(o=-1.1,f=-1.9) USER MOD Single : A 446 THR OG1 : rot 89:sc= 0.225 USER MOD Single : A 471 LYS NZ :NH3+ -167:sc=-0.00962 (180deg=-0.142) USER MOD Single : A 472 TYR OH : rot 165:sc= 0 USER MOD Single : A 476 LYS NZ :NH3+ 158:sc= -0.11 (180deg=-0.545) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 THR OG1 : rot 110:sc= -0.0403 USER MOD ----------------------------------------------------------------- ATOM 21 N THR A 446 -1.344 -6.581 -4.720 1.00 0.00 N ATOM 22 CA THR A 446 -0.727 -6.350 -3.422 1.00 0.00 C ATOM 23 C THR A 446 -0.936 -4.908 -2.964 1.00 0.00 C ATOM 24 O THR A 446 -1.491 -4.085 -3.703 1.00 0.00 O ATOM 25 CB THR A 446 0.670 -6.661 -3.489 1.00 0.00 C ATOM 26 OG1 THR A 446 1.380 -5.931 -4.566 1.00 0.00 O ATOM 27 CG2 THR A 446 1.005 -8.147 -3.702 1.00 0.00 C ATOM 0 HA THR A 446 -1.202 -7.002 -2.689 1.00 0.00 H new ATOM 0 HB THR A 446 1.006 -6.351 -2.500 1.00 0.00 H new ATOM 0 HG1 THR A 446 1.701 -5.071 -4.222 1.00 0.00 H new ATOM 0 HG21 THR A 446 2.087 -8.275 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 446 0.598 -8.733 -2.878 1.00 0.00 H new ATOM 0 HG23 THR A 446 0.568 -8.488 -4.641 1.00 0.00 H new ATOM 35 N HIS A 447 -0.495 -4.580 -1.756 1.00 0.00 N ATOM 36 CA HIS A 447 -0.645 -3.220 -1.273 1.00 0.00 C ATOM 37 C HIS A 447 0.724 -2.571 -1.111 1.00 0.00 C ATOM 38 O HIS A 447 1.677 -3.206 -0.652 1.00 0.00 O ATOM 39 CB HIS A 447 -1.470 -3.158 0.028 1.00 0.00 C ATOM 40 CG HIS A 447 -0.790 -3.694 1.257 1.00 0.00 C ATOM 41 ND1 HIS A 447 -0.117 -3.027 2.231 1.00 0.00 N flip ATOM 42 CD2 HIS A 447 -0.771 -5.026 1.629 1.00 0.00 C flip ATOM 43 CE1 HIS A 447 0.307 -3.935 3.193 1.00 0.00 C flip ATOM 44 NE2 HIS A 447 -0.105 -5.119 2.789 1.00 0.00 N flip ATOM 0 H HIS A 447 -0.041 -5.223 -1.108 1.00 0.00 H new ATOM 0 HA HIS A 447 -1.207 -2.653 -2.016 1.00 0.00 H new ATOM 0 HB2 HIS A 447 -1.747 -2.120 0.212 1.00 0.00 H new ATOM 0 HB3 HIS A 447 -2.396 -3.713 -0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 447 -1.214 -5.845 1.082 1.00 0.00 H new ATOM 0 HE1 HIS A 447 0.863 -3.714 4.092 1.00 0.00 H new ATOM 0 HE2 HIS A 447 0.061 -5.991 3.292 1.00 0.00 H new ATOM 52 N ARG A 448 0.809 -1.312 -1.513 1.00 0.00 N ATOM 53 CA ARG A 448 2.078 -0.604 -1.582 1.00 0.00 C ATOM 54 C ARG A 448 2.456 -0.044 -0.216 1.00 0.00 C ATOM 55 O ARG A 448 1.592 0.347 0.564 1.00 0.00 O ATOM 56 CB ARG A 448 1.998 0.530 -2.623 1.00 0.00 C ATOM 57 CG ARG A 448 0.971 0.279 -3.721 1.00 0.00 C ATOM 58 CD ARG A 448 1.370 0.924 -5.038 1.00 0.00 C ATOM 59 NE ARG A 448 1.699 2.342 -4.905 1.00 0.00 N ATOM 60 CZ ARG A 448 2.500 2.994 -5.753 1.00 0.00 C ATOM 61 NH1 ARG A 448 3.059 2.346 -6.768 1.00 0.00 N ATOM 62 NH2 ARG A 448 2.737 4.289 -5.584 1.00 0.00 N ATOM 0 H ARG A 448 0.004 -0.755 -1.799 1.00 0.00 H new ATOM 0 HA ARG A 448 2.851 -1.309 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 448 1.753 1.462 -2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 448 2.979 0.664 -3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 448 0.851 -0.795 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 448 0.003 0.668 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 448 2.229 0.395 -5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 448 0.555 0.812 -5.753 1.00 0.00 H new ATOM 0 HE ARG A 448 1.296 2.861 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 448 2.877 1.351 -6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 448 3.670 2.843 -7.416 1.00 0.00 H new ATOM 0 HH21 ARG A 448 2.307 4.789 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 448 3.349 4.784 -6.233 1.00 0.00 H new ATOM 76 N HIS A 449 3.746 -0.046 0.078 1.00 0.00 N ATOM 77 CA HIS A 449 4.264 0.552 1.301 1.00 0.00 C ATOM 78 C HIS A 449 5.106 1.775 0.974 1.00 0.00 C ATOM 79 O HIS A 449 6.076 1.676 0.226 1.00 0.00 O ATOM 80 CB HIS A 449 5.136 -0.446 2.078 1.00 0.00 C ATOM 81 CG HIS A 449 4.425 -1.180 3.175 1.00 0.00 C ATOM 82 ND1 HIS A 449 5.014 -1.526 4.376 1.00 0.00 N ATOM 83 CD2 HIS A 449 3.162 -1.669 3.230 1.00 0.00 C ATOM 84 CE1 HIS A 449 4.111 -2.205 5.100 1.00 0.00 C ATOM 85 NE2 HIS A 449 2.971 -2.317 4.452 1.00 0.00 N ATOM 0 H HIS A 449 4.462 -0.459 -0.520 1.00 0.00 H new ATOM 0 HA HIS A 449 3.409 0.838 1.914 1.00 0.00 H new ATOM 0 HB2 HIS A 449 5.543 -1.175 1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 449 5.982 0.090 2.508 1.00 0.00 H new ATOM 0 HD1 HIS A 449 5.968 -1.304 4.662 1.00 0.00 H new ATOM 0 HD2 HIS A 449 2.420 -1.573 2.451 1.00 0.00 H new ATOM 0 HE1 HIS A 449 4.296 -2.607 6.085 1.00 0.00 H new ATOM 93 N ILE A 450 4.732 2.925 1.510 1.00 0.00 N ATOM 94 CA ILE A 450 5.579 4.099 1.418 1.00 0.00 C ATOM 95 C ILE A 450 6.806 3.859 2.284 1.00 0.00 C ATOM 96 O ILE A 450 6.671 3.654 3.486 1.00 0.00 O ATOM 97 CB ILE A 450 4.846 5.373 1.896 1.00 0.00 C ATOM 98 CG1 ILE A 450 3.522 5.547 1.140 1.00 0.00 C ATOM 99 CG2 ILE A 450 5.739 6.599 1.719 1.00 0.00 C ATOM 100 CD1 ILE A 450 2.731 6.766 1.572 1.00 0.00 C ATOM 0 H ILE A 450 3.854 3.069 2.009 1.00 0.00 H new ATOM 0 HA ILE A 450 5.857 4.257 0.376 1.00 0.00 H new ATOM 0 HB ILE A 450 4.619 5.267 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 450 3.730 5.619 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.910 4.657 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 450 5.208 7.488 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 450 6.650 6.473 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 450 5.997 6.712 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.808 6.824 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.492 6.687 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 450 3.324 7.664 1.400 1.00 0.00 H new ATOM 112 N ARG A 451 7.989 3.837 1.668 1.00 0.00 N ATOM 113 CA ARG A 451 9.219 3.489 2.377 1.00 0.00 C ATOM 114 C ARG A 451 9.397 4.314 3.653 1.00 0.00 C ATOM 115 O ARG A 451 9.724 5.502 3.610 1.00 0.00 O ATOM 116 CB ARG A 451 10.448 3.632 1.471 1.00 0.00 C ATOM 117 CG ARG A 451 10.545 4.959 0.734 1.00 0.00 C ATOM 118 CD ARG A 451 11.963 5.207 0.246 1.00 0.00 C ATOM 119 NE ARG A 451 12.887 5.416 1.364 1.00 0.00 N ATOM 120 CZ ARG A 451 14.217 5.418 1.261 1.00 0.00 C ATOM 121 NH1 ARG A 451 14.807 5.248 0.084 1.00 0.00 N ATOM 122 NH2 ARG A 451 14.955 5.600 2.352 1.00 0.00 N ATOM 0 H ARG A 451 8.120 4.056 0.680 1.00 0.00 H new ATOM 0 HA ARG A 451 9.127 2.442 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 451 11.345 3.502 2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 451 10.438 2.825 0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 451 9.859 4.960 -0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 451 10.237 5.770 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 451 12.298 4.358 -0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 451 11.977 6.080 -0.407 1.00 0.00 H new ATOM 0 HE ARG A 451 12.484 5.571 2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 451 14.242 5.114 -0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 451 15.825 5.252 0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 451 14.503 5.736 3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 451 15.973 5.603 2.285 1.00 0.00 H new ATOM 136 N GLY A 452 9.166 3.667 4.788 1.00 0.00 N ATOM 137 CA GLY A 452 9.302 4.333 6.064 1.00 0.00 C ATOM 138 C GLY A 452 8.010 4.329 6.856 1.00 0.00 C ATOM 139 O GLY A 452 8.032 4.435 8.081 1.00 0.00 O ATOM 0 H GLY A 452 8.886 2.688 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 452 10.083 3.843 6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 452 9.623 5.362 5.902 1.00 0.00 H new ATOM 143 N GLU A 453 6.888 4.200 6.158 1.00 0.00 N ATOM 144 CA GLU A 453 5.584 4.194 6.802 1.00 0.00 C ATOM 145 C GLU A 453 5.244 2.782 7.274 1.00 0.00 C ATOM 146 O GLU A 453 5.718 1.799 6.697 1.00 0.00 O ATOM 147 CB GLU A 453 4.518 4.723 5.829 1.00 0.00 C ATOM 148 CG GLU A 453 3.148 4.928 6.457 1.00 0.00 C ATOM 149 CD GLU A 453 3.202 5.789 7.701 1.00 0.00 C ATOM 150 OE1 GLU A 453 3.160 7.032 7.577 1.00 0.00 O ATOM 151 OE2 GLU A 453 3.290 5.222 8.811 1.00 0.00 O ATOM 0 H GLU A 453 6.857 4.098 5.144 1.00 0.00 H new ATOM 0 HA GLU A 453 5.606 4.849 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 453 4.860 5.671 5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 453 4.423 4.025 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 453 2.483 5.391 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 453 2.719 3.958 6.709 1.00 0.00 H new ATOM 158 N ALA A 454 4.430 2.690 8.324 1.00 0.00 N ATOM 159 CA ALA A 454 4.099 1.410 8.936 1.00 0.00 C ATOM 160 C ALA A 454 3.300 0.519 7.988 1.00 0.00 C ATOM 161 O ALA A 454 3.803 -0.497 7.509 1.00 0.00 O ATOM 162 CB ALA A 454 3.324 1.634 10.225 1.00 0.00 C ATOM 0 H ALA A 454 3.986 3.494 8.769 1.00 0.00 H new ATOM 0 HA ALA A 454 5.034 0.897 9.160 1.00 0.00 H new ATOM 0 HB1 ALA A 454 3.081 0.672 10.675 1.00 0.00 H new ATOM 0 HB2 ALA A 454 3.931 2.216 10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 454 2.403 2.175 10.007 1.00 0.00 H new ATOM 168 N CYS A 455 2.056 0.902 7.724 1.00 0.00 N ATOM 169 CA CYS A 455 1.182 0.134 6.845 1.00 0.00 C ATOM 170 C CYS A 455 -0.109 0.900 6.607 1.00 0.00 C ATOM 171 O CYS A 455 -0.825 1.231 7.550 1.00 0.00 O ATOM 172 CB CYS A 455 0.881 -1.244 7.444 1.00 0.00 C ATOM 173 SG CYS A 455 -0.098 -2.346 6.366 1.00 0.00 S ATOM 0 H CYS A 455 1.628 1.744 8.108 1.00 0.00 H new ATOM 0 HA CYS A 455 1.690 -0.016 5.892 1.00 0.00 H new ATOM 0 HB2 CYS A 455 1.824 -1.735 7.683 1.00 0.00 H new ATOM 0 HB3 CYS A 455 0.346 -1.108 8.384 1.00 0.00 H new ATOM 0 HG CYS A 455 0.563 -3.445 6.154 1.00 0.00 H new ATOM 178 N PRO A 456 -0.419 1.190 5.338 1.00 0.00 N ATOM 179 CA PRO A 456 -1.597 1.985 4.971 1.00 0.00 C ATOM 180 C PRO A 456 -2.920 1.287 5.270 1.00 0.00 C ATOM 181 O PRO A 456 -3.963 1.939 5.323 1.00 0.00 O ATOM 182 CB PRO A 456 -1.436 2.187 3.463 1.00 0.00 C ATOM 183 CG PRO A 456 -0.568 1.065 3.017 1.00 0.00 C ATOM 184 CD PRO A 456 0.366 0.792 4.158 1.00 0.00 C ATOM 0 HA PRO A 456 -1.640 2.910 5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -2.401 2.166 2.956 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -0.980 3.152 3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -1.162 0.183 2.778 1.00 0.00 H new ATOM 0 HG3 PRO A 456 -0.016 1.332 2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 456 0.653 -0.259 4.201 1.00 0.00 H new ATOM 0 HD3 PRO A 456 1.286 1.370 4.073 1.00 0.00 H new ATOM 192 N LEU A 457 -2.874 -0.031 5.471 1.00 0.00 N ATOM 193 CA LEU A 457 -4.087 -0.821 5.687 1.00 0.00 C ATOM 194 C LEU A 457 -4.913 -0.257 6.840 1.00 0.00 C ATOM 195 O LEU A 457 -4.359 0.188 7.844 1.00 0.00 O ATOM 196 CB LEU A 457 -3.744 -2.290 5.956 1.00 0.00 C ATOM 197 CG LEU A 457 -3.163 -3.055 4.764 1.00 0.00 C ATOM 198 CD1 LEU A 457 -2.896 -4.503 5.144 1.00 0.00 C ATOM 199 CD2 LEU A 457 -4.103 -2.978 3.564 1.00 0.00 C ATOM 0 H LEU A 457 -2.010 -0.573 5.489 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.682 -0.764 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -3.030 -2.335 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.647 -2.802 6.290 1.00 0.00 H new ATOM 0 HG LEU A 457 -2.217 -2.591 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.483 -5.034 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.184 -4.537 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.829 -4.977 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -3.671 -3.528 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -5.066 -3.415 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -4.244 -1.936 3.278 1.00 0.00 H new ATOM 211 N PRO A 458 -6.252 -0.295 6.728 1.00 0.00 N ATOM 212 CA PRO A 458 -6.960 -0.992 5.642 1.00 0.00 C ATOM 213 C PRO A 458 -7.044 -0.203 4.332 1.00 0.00 C ATOM 214 O PRO A 458 -7.873 -0.501 3.470 1.00 0.00 O ATOM 215 CB PRO A 458 -8.352 -1.182 6.232 1.00 0.00 C ATOM 216 CG PRO A 458 -8.547 -0.003 7.113 1.00 0.00 C ATOM 217 CD PRO A 458 -7.193 0.340 7.670 1.00 0.00 C ATOM 0 HA PRO A 458 -6.443 -1.908 5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 458 -9.112 -1.224 5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 458 -8.421 -2.113 6.794 1.00 0.00 H new ATOM 0 HG2 PRO A 458 -8.960 0.836 6.553 1.00 0.00 H new ATOM 0 HG3 PRO A 458 -9.251 -0.229 7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 458 -7.043 1.418 7.719 1.00 0.00 H new ATOM 0 HD3 PRO A 458 -7.067 -0.046 8.682 1.00 0.00 H new ATOM 225 N HIS A 459 -6.196 0.797 4.177 1.00 0.00 N ATOM 226 CA HIS A 459 -6.130 1.541 2.928 1.00 0.00 C ATOM 227 C HIS A 459 -4.987 0.999 2.088 1.00 0.00 C ATOM 228 O HIS A 459 -4.138 0.255 2.579 1.00 0.00 O ATOM 229 CB HIS A 459 -5.925 3.045 3.171 1.00 0.00 C ATOM 230 CG HIS A 459 -6.840 3.623 4.203 1.00 0.00 C ATOM 231 ND1 HIS A 459 -8.008 4.289 3.882 1.00 0.00 N ATOM 232 CD2 HIS A 459 -6.704 3.586 5.545 1.00 0.00 C ATOM 233 CE1 HIS A 459 -8.536 4.633 5.050 1.00 0.00 C ATOM 234 NE2 HIS A 459 -7.781 4.227 6.080 1.00 0.00 N ATOM 0 H HIS A 459 -5.545 1.114 4.896 1.00 0.00 H new ATOM 0 HA HIS A 459 -7.078 1.417 2.405 1.00 0.00 H new ATOM 0 HB2 HIS A 459 -4.893 3.216 3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 459 -6.071 3.578 2.231 1.00 0.00 H new ATOM 0 HD2 HIS A 459 -5.892 3.132 6.094 1.00 0.00 H new ATOM 0 HE1 HIS A 459 -9.464 5.176 5.158 1.00 0.00 H new ATOM 0 HE2 HIS A 459 -7.975 4.370 7.071 1.00 0.00 H new ATOM 242 N ARG A 460 -4.972 1.360 0.819 1.00 0.00 N ATOM 243 CA ARG A 460 -3.910 0.946 -0.078 1.00 0.00 C ATOM 244 C ARG A 460 -3.676 2.025 -1.116 1.00 0.00 C ATOM 245 O ARG A 460 -4.611 2.728 -1.508 1.00 0.00 O ATOM 246 CB ARG A 460 -4.245 -0.390 -0.747 1.00 0.00 C ATOM 247 CG ARG A 460 -5.513 -0.371 -1.589 1.00 0.00 C ATOM 248 CD ARG A 460 -5.800 -1.734 -2.204 1.00 0.00 C ATOM 249 NE ARG A 460 -4.673 -2.245 -2.989 1.00 0.00 N ATOM 250 CZ ARG A 460 -4.594 -2.171 -4.316 1.00 0.00 C ATOM 251 NH1 ARG A 460 -5.585 -1.627 -5.012 1.00 0.00 N ATOM 252 NH2 ARG A 460 -3.535 -2.665 -4.949 1.00 0.00 N ATOM 0 H ARG A 460 -5.688 1.942 0.384 1.00 0.00 H new ATOM 0 HA ARG A 460 -2.997 0.803 0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -3.408 -0.686 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -4.347 -1.153 0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -6.357 -0.066 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -5.413 0.372 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -6.038 -2.444 -1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -6.680 -1.663 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 460 -3.901 -2.685 -2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -6.408 -1.265 -4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -5.523 -1.571 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -2.781 -3.102 -4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -3.476 -2.608 -5.966 1.00 0.00 H new ATOM 266 N LEU A 461 -2.433 2.165 -1.546 1.00 0.00 N ATOM 267 CA LEU A 461 -2.054 3.266 -2.419 1.00 0.00 C ATOM 268 C LEU A 461 -2.150 2.869 -3.885 1.00 0.00 C ATOM 269 O LEU A 461 -1.814 1.746 -4.255 1.00 0.00 O ATOM 270 CB LEU A 461 -0.622 3.737 -2.120 1.00 0.00 C ATOM 271 CG LEU A 461 -0.357 4.253 -0.701 1.00 0.00 C ATOM 272 CD1 LEU A 461 -1.516 5.096 -0.204 1.00 0.00 C ATOM 273 CD2 LEU A 461 -0.090 3.108 0.250 1.00 0.00 C ATOM 0 H LEU A 461 -1.670 1.532 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 461 -2.751 4.081 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 461 0.058 2.908 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 461 -0.369 4.529 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 461 0.532 4.882 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -1.303 5.449 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 461 -1.655 5.951 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 461 -2.425 4.494 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.095 3.501 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 461 -0.956 2.446 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 461 0.783 2.550 -0.088 1.00 0.00 H new ATOM 285 N ASN A 462 -2.610 3.797 -4.710 1.00 0.00 N ATOM 286 CA ASN A 462 -2.576 3.624 -6.156 1.00 0.00 C ATOM 287 C ASN A 462 -1.172 3.960 -6.643 1.00 0.00 C ATOM 288 O ASN A 462 -0.295 4.239 -5.827 1.00 0.00 O ATOM 289 CB ASN A 462 -3.624 4.516 -6.844 1.00 0.00 C ATOM 290 CG ASN A 462 -3.230 5.990 -6.923 1.00 0.00 C ATOM 291 OD1 ASN A 462 -2.636 6.429 -7.907 1.00 0.00 O ATOM 292 ND2 ASN A 462 -3.572 6.765 -5.907 1.00 0.00 N ATOM 0 H ASN A 462 -3.013 4.682 -4.402 1.00 0.00 H new ATOM 0 HA ASN A 462 -2.820 2.592 -6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 462 -3.798 4.142 -7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 462 -4.568 4.431 -6.306 1.00 0.00 H new ATOM 0 HD21 ASN A 462 -3.344 7.759 -5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 462 -4.064 6.369 -5.106 1.00 0.00 H new ATOM 299 N SER A 463 -0.961 3.966 -7.951 1.00 0.00 N ATOM 300 CA SER A 463 0.368 4.189 -8.519 1.00 0.00 C ATOM 301 C SER A 463 0.967 5.541 -8.095 1.00 0.00 C ATOM 302 O SER A 463 2.186 5.688 -8.006 1.00 0.00 O ATOM 303 CB SER A 463 0.289 4.093 -10.043 1.00 0.00 C ATOM 304 OG SER A 463 -0.791 4.867 -10.540 1.00 0.00 O ATOM 0 H SER A 463 -1.694 3.819 -8.645 1.00 0.00 H new ATOM 0 HA SER A 463 1.033 3.417 -8.132 1.00 0.00 H new ATOM 0 HB2 SER A 463 1.224 4.440 -10.483 1.00 0.00 H new ATOM 0 HB3 SER A 463 0.164 3.052 -10.341 1.00 0.00 H new ATOM 0 HG SER A 463 -0.824 4.794 -11.517 1.00 0.00 H new ATOM 310 N LEU A 464 0.115 6.523 -7.823 1.00 0.00 N ATOM 311 CA LEU A 464 0.580 7.842 -7.397 1.00 0.00 C ATOM 312 C LEU A 464 0.691 7.936 -5.874 1.00 0.00 C ATOM 313 O LEU A 464 0.910 9.015 -5.325 1.00 0.00 O ATOM 314 CB LEU A 464 -0.353 8.932 -7.930 1.00 0.00 C ATOM 315 CG LEU A 464 -0.385 9.072 -9.456 1.00 0.00 C ATOM 316 CD1 LEU A 464 -1.332 10.185 -9.873 1.00 0.00 C ATOM 317 CD2 LEU A 464 1.015 9.338 -9.994 1.00 0.00 C ATOM 0 H LEU A 464 -0.899 6.433 -7.889 1.00 0.00 H new ATOM 0 HA LEU A 464 1.577 7.992 -7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.364 8.727 -7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -0.053 9.887 -7.499 1.00 0.00 H new ATOM 0 HG LEU A 464 -0.749 8.135 -9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -1.340 10.268 -10.960 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -2.338 9.959 -9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -0.998 11.128 -9.440 1.00 0.00 H new ATOM 0 HD21 LEU A 464 0.976 9.435 -11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 464 1.402 10.260 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 464 1.671 8.509 -9.727 1.00 0.00 H new ATOM 329 N GLY A 465 0.531 6.810 -5.196 1.00 0.00 N ATOM 330 CA GLY A 465 0.799 6.761 -3.768 1.00 0.00 C ATOM 331 C GLY A 465 -0.339 7.275 -2.904 1.00 0.00 C ATOM 332 O GLY A 465 -0.129 7.621 -1.745 1.00 0.00 O ATOM 0 H GLY A 465 0.221 5.929 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 465 1.018 5.731 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 465 1.694 7.347 -3.557 1.00 0.00 H new ATOM 336 N GLY A 466 -1.544 7.314 -3.455 1.00 0.00 N ATOM 337 CA GLY A 466 -2.688 7.772 -2.686 1.00 0.00 C ATOM 338 C GLY A 466 -3.747 6.698 -2.552 1.00 0.00 C ATOM 339 O GLY A 466 -3.808 5.671 -3.371 1.00 0.00 O ATOM 0 H GLY A 466 -1.751 7.039 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 466 -2.358 8.082 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 466 -3.120 8.650 -3.167 1.00 0.00 H new ATOM 343 N CYS A 467 -4.578 6.790 -1.524 1.00 0.00 N ATOM 344 CA CYS A 467 -5.649 5.814 -1.343 1.00 0.00 C ATOM 345 C CYS A 467 -6.988 6.472 -1.584 1.00 0.00 C ATOM 346 O CYS A 467 -7.161 7.663 -1.318 1.00 0.00 O ATOM 347 CB CYS A 467 -5.648 5.204 0.068 1.00 0.00 C ATOM 348 SG CYS A 467 -6.450 6.237 1.352 1.00 0.00 S ATOM 0 H CYS A 467 -4.536 7.518 -0.811 1.00 0.00 H new ATOM 0 HA CYS A 467 -5.477 5.013 -2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.152 4.238 0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -4.617 5.014 0.366 1.00 0.00 H new ATOM 0 HG CYS A 467 -7.073 5.472 2.198 1.00 0.00 H new ATOM 353 N ARG A 468 -7.939 5.698 -2.075 1.00 0.00 N ATOM 354 CA ARG A 468 -9.310 6.164 -2.164 1.00 0.00 C ATOM 355 C ARG A 468 -9.795 6.534 -0.764 1.00 0.00 C ATOM 356 O ARG A 468 -9.223 6.052 0.230 1.00 0.00 O ATOM 357 CB ARG A 468 -10.193 5.082 -2.786 1.00 0.00 C ATOM 358 CG ARG A 468 -9.674 4.592 -4.129 1.00 0.00 C ATOM 359 CD ARG A 468 -10.603 3.565 -4.755 1.00 0.00 C ATOM 360 NE ARG A 468 -10.012 2.954 -5.948 1.00 0.00 N ATOM 361 CZ ARG A 468 -10.692 2.220 -6.830 1.00 0.00 C ATOM 362 NH1 ARG A 468 -12.002 2.078 -6.710 1.00 0.00 N ATOM 363 NH2 ARG A 468 -10.064 1.652 -7.850 1.00 0.00 N ATOM 0 H ARG A 468 -7.788 4.749 -2.416 1.00 0.00 H new ATOM 0 HA ARG A 468 -9.366 7.045 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -10.262 4.238 -2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -11.202 5.473 -2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -9.561 5.439 -4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -8.684 4.154 -3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -10.832 2.789 -4.025 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -11.547 4.042 -5.020 1.00 0.00 H new ATOM 0 HE ARG A 468 -9.016 3.099 -6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -12.496 2.531 -5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -12.518 1.516 -7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -9.058 1.776 -7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -10.587 1.091 -8.523 1.00 0.00 H new ATOM 377 N CYS A 469 -10.808 7.403 -0.706 1.00 0.00 N ATOM 378 CA CYS A 469 -11.358 7.979 0.538 1.00 0.00 C ATOM 379 C CYS A 469 -10.602 9.243 0.946 1.00 0.00 C ATOM 380 O CYS A 469 -11.102 10.045 1.737 1.00 0.00 O ATOM 381 CB CYS A 469 -11.348 6.991 1.711 1.00 0.00 C ATOM 382 SG CYS A 469 -9.817 7.033 2.705 1.00 0.00 S ATOM 0 H CYS A 469 -11.286 7.739 -1.542 1.00 0.00 H new ATOM 0 HA CYS A 469 -12.396 8.225 0.313 1.00 0.00 H new ATOM 0 HB2 CYS A 469 -12.197 7.206 2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 469 -11.490 5.982 1.324 1.00 0.00 H new ATOM 0 HG CYS A 469 -8.817 6.627 1.980 1.00 0.00 H new ATOM 387 N GLY A 470 -9.396 9.417 0.410 1.00 0.00 N ATOM 388 CA GLY A 470 -8.573 10.548 0.792 1.00 0.00 C ATOM 389 C GLY A 470 -7.984 10.381 2.180 1.00 0.00 C ATOM 390 O GLY A 470 -8.427 11.020 3.130 1.00 0.00 O ATOM 0 H GLY A 470 -8.976 8.795 -0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 470 -7.767 10.670 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 470 -9.171 11.459 0.759 1.00 0.00 H new ATOM 394 N LYS A 471 -7.002 9.493 2.300 1.00 0.00 N ATOM 395 CA LYS A 471 -6.296 9.299 3.566 1.00 0.00 C ATOM 396 C LYS A 471 -4.805 9.497 3.328 1.00 0.00 C ATOM 397 O LYS A 471 -4.108 10.132 4.117 1.00 0.00 O ATOM 398 CB LYS A 471 -6.601 7.905 4.154 1.00 0.00 C ATOM 399 CG LYS A 471 -6.143 7.713 5.597 1.00 0.00 C ATOM 400 CD LYS A 471 -4.678 7.321 5.685 1.00 0.00 C ATOM 401 CE LYS A 471 -4.158 7.377 7.114 1.00 0.00 C ATOM 402 NZ LYS A 471 -4.058 8.772 7.625 1.00 0.00 N ATOM 0 H LYS A 471 -6.676 8.897 1.539 1.00 0.00 H new ATOM 0 HA LYS A 471 -6.637 10.031 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 471 -7.675 7.729 4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 471 -6.123 7.149 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 471 -6.305 8.636 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 471 -6.753 6.944 6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 471 -4.548 6.313 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 471 -4.086 7.987 5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 471 -4.820 6.802 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -3.177 6.904 7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -3.501 8.781 8.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -3.591 9.370 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 -5.011 9.141 7.816 1.00 0.00 H new ATOM 416 N TYR A 472 -4.329 8.934 2.228 1.00 0.00 N ATOM 417 CA TYR A 472 -3.004 9.233 1.713 1.00 0.00 C ATOM 418 C TYR A 472 -3.155 9.976 0.395 1.00 0.00 C ATOM 419 O TYR A 472 -3.846 9.495 -0.506 1.00 0.00 O ATOM 420 CB TYR A 472 -2.188 7.959 1.498 1.00 0.00 C ATOM 421 CG TYR A 472 -1.757 7.279 2.776 1.00 0.00 C ATOM 422 CD1 TYR A 472 -0.660 7.741 3.491 1.00 0.00 C ATOM 423 CD2 TYR A 472 -2.438 6.170 3.264 1.00 0.00 C ATOM 424 CE1 TYR A 472 -0.258 7.122 4.656 1.00 0.00 C ATOM 425 CE2 TYR A 472 -2.041 5.544 4.432 1.00 0.00 C ATOM 426 CZ TYR A 472 -0.949 6.025 5.123 1.00 0.00 C ATOM 427 OH TYR A 472 -0.551 5.407 6.284 1.00 0.00 O ATOM 0 H TYR A 472 -4.850 8.258 1.669 1.00 0.00 H new ATOM 0 HA TYR A 472 -2.472 9.847 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 472 -2.778 7.258 0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 472 -1.302 8.203 0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 472 -0.113 8.599 3.129 1.00 0.00 H new ATOM 0 HD2 TYR A 472 -3.292 5.791 2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 472 0.596 7.496 5.201 1.00 0.00 H new ATOM 0 HE2 TYR A 472 -2.582 4.685 4.800 1.00 0.00 H new ATOM 0 HH TYR A 472 -1.265 4.816 6.602 1.00 0.00 H new ATOM 437 N PRO A 473 -2.565 11.172 0.285 1.00 0.00 N ATOM 438 CA PRO A 473 -2.599 11.957 -0.949 1.00 0.00 C ATOM 439 C PRO A 473 -1.639 11.407 -2.000 1.00 0.00 C ATOM 440 O PRO A 473 -0.757 10.606 -1.689 1.00 0.00 O ATOM 441 CB PRO A 473 -2.157 13.349 -0.489 1.00 0.00 C ATOM 442 CG PRO A 473 -1.277 13.089 0.684 1.00 0.00 C ATOM 443 CD PRO A 473 -1.823 11.861 1.358 1.00 0.00 C ATOM 0 HA PRO A 473 -3.580 11.944 -1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 473 -1.622 13.877 -1.278 1.00 0.00 H new ATOM 0 HB3 PRO A 473 -3.012 13.967 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 473 -0.245 12.933 0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 473 -1.277 13.939 1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 473 -1.025 11.236 1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 473 -2.474 12.119 2.193 1.00 0.00 H new ATOM 451 N ASN A 474 -1.812 11.832 -3.242 1.00 0.00 N ATOM 452 CA ASN A 474 -0.929 11.401 -4.311 1.00 0.00 C ATOM 453 C ASN A 474 0.398 12.140 -4.223 1.00 0.00 C ATOM 454 O ASN A 474 0.545 13.241 -4.754 1.00 0.00 O ATOM 455 CB ASN A 474 -1.564 11.627 -5.688 1.00 0.00 C ATOM 456 CG ASN A 474 -2.718 10.681 -5.988 1.00 0.00 C ATOM 457 OD1 ASN A 474 -2.776 9.554 -5.490 1.00 0.00 O ATOM 458 ND2 ASN A 474 -3.634 11.128 -6.832 1.00 0.00 N ATOM 0 H ASN A 474 -2.552 12.471 -3.532 1.00 0.00 H new ATOM 0 HA ASN A 474 -0.756 10.331 -4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -1.922 12.655 -5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -0.799 11.509 -6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.422 10.534 -7.091 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.552 12.066 -7.223 1.00 0.00 H new ATOM 465 N LEU A 475 1.343 11.551 -3.504 1.00 0.00 N ATOM 466 CA LEU A 475 2.667 12.141 -3.342 1.00 0.00 C ATOM 467 C LEU A 475 3.670 11.485 -4.292 1.00 0.00 C ATOM 468 O LEU A 475 4.821 11.919 -4.384 1.00 0.00 O ATOM 469 CB LEU A 475 3.144 11.993 -1.895 1.00 0.00 C ATOM 470 CG LEU A 475 2.261 12.652 -0.838 1.00 0.00 C ATOM 471 CD1 LEU A 475 2.833 12.408 0.553 1.00 0.00 C ATOM 472 CD2 LEU A 475 2.135 14.142 -1.104 1.00 0.00 C ATOM 0 H LEU A 475 1.218 10.661 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 475 2.599 13.201 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 475 3.224 10.931 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 475 4.147 12.412 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 475 1.267 12.208 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 475 2.194 12.883 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 475 2.879 11.336 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 475 3.836 12.830 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 475 1.502 14.596 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 475 3.123 14.601 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 475 1.689 14.300 -2.086 1.00 0.00 H new ATOM 484 N LYS A 476 3.208 10.431 -4.977 1.00 0.00 N ATOM 485 CA LYS A 476 3.993 9.670 -5.968 1.00 0.00 C ATOM 486 C LYS A 476 5.399 9.318 -5.462 1.00 0.00 C ATOM 487 O LYS A 476 6.360 9.290 -6.231 1.00 0.00 O ATOM 488 CB LYS A 476 4.061 10.415 -7.315 1.00 0.00 C ATOM 489 CG LYS A 476 4.926 11.669 -7.321 1.00 0.00 C ATOM 490 CD LYS A 476 5.019 12.270 -8.712 1.00 0.00 C ATOM 491 CE LYS A 476 3.806 13.125 -9.047 1.00 0.00 C ATOM 492 NZ LYS A 476 3.684 14.305 -8.149 1.00 0.00 N ATOM 0 H LYS A 476 2.260 10.073 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 476 3.469 8.727 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 476 4.439 9.729 -8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 476 3.049 10.690 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 476 4.509 12.404 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 476 5.925 11.425 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 476 5.921 12.877 -8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 476 5.113 11.470 -9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 476 3.877 13.463 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 476 2.904 12.518 -8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 3.107 15.036 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 3.230 14.018 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 4.630 14.687 -7.947 1.00 0.00 H new ATOM 506 N LYS A 477 5.507 9.003 -4.171 1.00 0.00 N ATOM 507 CA LYS A 477 6.804 8.692 -3.572 1.00 0.00 C ATOM 508 C LYS A 477 7.161 7.219 -3.792 1.00 0.00 C ATOM 509 O LYS A 477 6.291 6.399 -4.100 1.00 0.00 O ATOM 510 CB LYS A 477 6.810 9.013 -2.069 1.00 0.00 C ATOM 511 CG LYS A 477 6.133 10.322 -1.719 1.00 0.00 C ATOM 512 CD LYS A 477 6.275 10.656 -0.244 1.00 0.00 C ATOM 513 CE LYS A 477 7.712 11.008 0.102 1.00 0.00 C ATOM 514 NZ LYS A 477 7.879 11.359 1.535 1.00 0.00 N ATOM 0 H LYS A 477 4.719 8.957 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 477 7.553 9.315 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 477 6.314 8.204 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 477 7.841 9.043 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 477 6.565 11.125 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 477 5.076 10.265 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 477 5.622 11.492 0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.951 9.807 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 477 8.358 10.164 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 477 8.037 11.846 -0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 8.875 11.591 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 7.283 12.181 1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 7.595 10.551 2.126 1.00 0.00 H new ATOM 528 N PRO A 478 8.453 6.880 -3.632 1.00 0.00 N ATOM 529 CA PRO A 478 8.951 5.504 -3.758 1.00 0.00 C ATOM 530 C PRO A 478 8.162 4.528 -2.896 1.00 0.00 C ATOM 531 O PRO A 478 8.061 4.693 -1.676 1.00 0.00 O ATOM 532 CB PRO A 478 10.393 5.595 -3.259 1.00 0.00 C ATOM 533 CG PRO A 478 10.784 7.017 -3.470 1.00 0.00 C ATOM 534 CD PRO A 478 9.529 7.829 -3.311 1.00 0.00 C ATOM 0 HA PRO A 478 8.861 5.133 -4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 478 10.465 5.318 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 478 11.046 4.920 -3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 478 11.540 7.324 -2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 478 11.215 7.158 -4.461 1.00 0.00 H new ATOM 0 HD2 PRO A 478 9.430 8.218 -2.298 1.00 0.00 H new ATOM 0 HD3 PRO A 478 9.520 8.687 -3.984 1.00 0.00 H new ATOM 542 N THR A 479 7.603 3.515 -3.536 1.00 0.00 N ATOM 543 CA THR A 479 6.747 2.560 -2.854 1.00 0.00 C ATOM 544 C THR A 479 7.287 1.139 -2.958 1.00 0.00 C ATOM 545 O THR A 479 7.856 0.743 -3.978 1.00 0.00 O ATOM 546 CB THR A 479 5.320 2.617 -3.421 1.00 0.00 C ATOM 547 OG1 THR A 479 5.319 3.418 -4.609 1.00 0.00 O ATOM 548 CG2 THR A 479 4.353 3.214 -2.408 1.00 0.00 C ATOM 0 H THR A 479 7.728 3.333 -4.532 1.00 0.00 H new ATOM 0 HA THR A 479 6.730 2.837 -1.800 1.00 0.00 H new ATOM 0 HB THR A 479 4.995 1.602 -3.649 1.00 0.00 H new ATOM 0 HG1 THR A 479 5.171 2.845 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 479 3.351 3.243 -2.835 1.00 0.00 H new ATOM 0 HG22 THR A 479 4.346 2.601 -1.507 1.00 0.00 H new ATOM 0 HG23 THR A 479 4.669 4.226 -2.156 1.00 0.00 H new ATOM 556 N VAL A 480 7.112 0.386 -1.887 1.00 0.00 N ATOM 557 CA VAL A 480 7.575 -0.990 -1.818 1.00 0.00 C ATOM 558 C VAL A 480 6.380 -1.927 -1.977 1.00 0.00 C ATOM 559 O VAL A 480 5.241 -1.520 -1.740 1.00 0.00 O ATOM 560 CB VAL A 480 8.271 -1.277 -0.467 1.00 0.00 C ATOM 561 CG1 VAL A 480 9.142 -2.520 -0.554 1.00 0.00 C ATOM 562 CG2 VAL A 480 9.085 -0.077 -0.020 1.00 0.00 C ATOM 0 H VAL A 480 6.645 0.710 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 480 8.297 -1.153 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 480 7.498 -1.463 0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.619 -2.698 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 480 8.525 -3.379 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.907 -2.375 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 480 9.567 -0.299 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 480 9.846 0.146 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 480 8.428 0.785 0.098 1.00 0.00 H new ATOM 572 N TRP A 481 6.630 -3.166 -2.375 1.00 0.00 N ATOM 573 CA TRP A 481 5.558 -4.131 -2.565 1.00 0.00 C ATOM 574 C TRP A 481 5.476 -5.097 -1.394 1.00 0.00 C ATOM 575 O TRP A 481 6.388 -5.886 -1.154 1.00 0.00 O ATOM 576 CB TRP A 481 5.752 -4.893 -3.875 1.00 0.00 C ATOM 577 CG TRP A 481 5.578 -4.020 -5.079 1.00 0.00 C ATOM 578 CD1 TRP A 481 6.511 -3.718 -6.029 1.00 0.00 C ATOM 579 CD2 TRP A 481 4.390 -3.307 -5.438 1.00 0.00 C ATOM 580 NE1 TRP A 481 5.968 -2.870 -6.965 1.00 0.00 N ATOM 581 CE2 TRP A 481 4.665 -2.609 -6.628 1.00 0.00 C ATOM 582 CE3 TRP A 481 3.111 -3.211 -4.877 1.00 0.00 C ATOM 583 CZ2 TRP A 481 3.716 -1.806 -7.254 1.00 0.00 C ATOM 584 CZ3 TRP A 481 2.170 -2.416 -5.497 1.00 0.00 C ATOM 585 CH2 TRP A 481 2.474 -1.730 -6.682 1.00 0.00 C ATOM 0 H TRP A 481 7.564 -3.526 -2.572 1.00 0.00 H new ATOM 0 HA TRP A 481 4.617 -3.584 -2.616 1.00 0.00 H new ATOM 0 HB2 TRP A 481 6.749 -5.333 -3.891 1.00 0.00 H new ATOM 0 HB3 TRP A 481 5.039 -5.716 -3.921 1.00 0.00 H new ATOM 0 HD1 TRP A 481 7.525 -4.090 -6.043 1.00 0.00 H new ATOM 0 HE1 TRP A 481 6.456 -2.496 -7.779 1.00 0.00 H new ATOM 0 HE3 TRP A 481 2.865 -3.750 -3.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 481 3.950 -1.263 -8.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 481 1.185 -2.320 -5.064 1.00 0.00 H new ATOM 0 HH2 TRP A 481 1.711 -1.128 -7.154 1.00 0.00 H new ATOM 596 N ARG A 482 4.383 -5.015 -0.659 1.00 0.00 N ATOM 597 CA ARG A 482 4.160 -5.907 0.463 1.00 0.00 C ATOM 598 C ARG A 482 3.008 -6.861 0.181 1.00 0.00 C ATOM 599 O ARG A 482 1.912 -6.443 -0.211 1.00 0.00 O ATOM 600 CB ARG A 482 3.909 -5.106 1.738 1.00 0.00 C ATOM 601 CG ARG A 482 5.141 -4.349 2.205 1.00 0.00 C ATOM 602 CD ARG A 482 6.284 -5.302 2.512 1.00 0.00 C ATOM 603 NE ARG A 482 7.521 -4.594 2.835 1.00 0.00 N ATOM 604 CZ ARG A 482 8.690 -5.199 3.025 1.00 0.00 C ATOM 605 NH1 ARG A 482 8.772 -6.521 2.943 1.00 0.00 N ATOM 606 NH2 ARG A 482 9.770 -4.480 3.294 1.00 0.00 N ATOM 0 H ARG A 482 3.636 -4.340 -0.819 1.00 0.00 H new ATOM 0 HA ARG A 482 5.058 -6.507 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 482 3.097 -4.400 1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 482 3.581 -5.781 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 482 5.450 -3.641 1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 482 4.899 -3.768 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 482 6.005 -5.943 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 482 6.453 -5.952 1.654 1.00 0.00 H new ATOM 0 HE ARG A 482 7.486 -3.578 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 482 7.939 -7.072 2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 482 9.668 -6.986 3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 482 9.704 -3.464 3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 482 10.667 -4.943 3.440 1.00 0.00 H new ATOM 620 N ARG A 483 3.283 -8.145 0.374 1.00 0.00 N ATOM 621 CA ARG A 483 2.322 -9.207 0.095 1.00 0.00 C ATOM 622 C ARG A 483 2.380 -10.289 1.167 1.00 0.00 C ATOM 623 O ARG A 483 1.711 -11.314 1.062 1.00 0.00 O ATOM 624 CB ARG A 483 2.616 -9.832 -1.271 1.00 0.00 C ATOM 625 CG ARG A 483 4.087 -10.161 -1.480 1.00 0.00 C ATOM 626 CD ARG A 483 4.285 -11.156 -2.609 1.00 0.00 C ATOM 627 NE ARG A 483 3.875 -12.499 -2.219 1.00 0.00 N ATOM 628 CZ ARG A 483 3.580 -13.468 -3.078 1.00 0.00 C ATOM 629 NH1 ARG A 483 3.616 -13.243 -4.387 1.00 0.00 N ATOM 630 NH2 ARG A 483 3.228 -14.665 -2.633 1.00 0.00 N ATOM 0 H ARG A 483 4.179 -8.480 0.728 1.00 0.00 H new ATOM 0 HA ARG A 483 1.324 -8.769 0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 483 2.028 -10.744 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 483 2.290 -9.147 -2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 483 4.637 -9.246 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 483 4.503 -10.568 -0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 483 3.711 -10.838 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 483 5.334 -11.167 -2.905 1.00 0.00 H new ATOM 0 HE ARG A 483 3.810 -12.708 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 483 3.872 -12.320 -4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 483 3.388 -13.993 -5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 483 3.183 -14.843 -1.630 1.00 0.00 H new ATOM 0 HH22 ARG A 483 3.002 -15.408 -3.294 1.00 0.00 H new ATOM 644 N GLY A 484 3.181 -10.056 2.198 1.00 0.00 N ATOM 645 CA GLY A 484 3.382 -11.064 3.221 1.00 0.00 C ATOM 646 C GLY A 484 2.384 -10.946 4.351 1.00 0.00 C ATOM 647 O GLY A 484 2.342 -11.794 5.243 1.00 0.00 O ATOM 0 H GLY A 484 3.695 -9.187 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 484 3.303 -12.054 2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 484 4.392 -10.975 3.621 1.00 0.00 H new ATOM 651 N HIS A 485 1.576 -9.899 4.312 1.00 0.00 N ATOM 652 CA HIS A 485 0.579 -9.659 5.343 1.00 0.00 C ATOM 653 C HIS A 485 -0.593 -8.877 4.757 1.00 0.00 C ATOM 654 O HIS A 485 -1.752 -9.203 5.083 1.00 0.00 O ATOM 655 CB HIS A 485 1.196 -8.918 6.546 1.00 0.00 C ATOM 656 CG HIS A 485 1.696 -7.533 6.242 1.00 0.00 C ATOM 657 ND1 HIS A 485 3.019 -7.209 6.026 1.00 0.00 N ATOM 658 CD2 HIS A 485 1.004 -6.375 6.113 1.00 0.00 C ATOM 659 CE1 HIS A 485 3.079 -5.891 5.774 1.00 0.00 C ATOM 660 NE2 HIS A 485 1.881 -5.340 5.815 1.00 0.00 N ATOM 661 OXT HIS A 485 -0.342 -7.967 3.930 1.00 0.00 O ATOM 0 H HIS A 485 1.592 -9.197 3.572 1.00 0.00 H new ATOM 0 HA HIS A 485 0.211 -10.619 5.705 1.00 0.00 H new ATOM 0 HB2 HIS A 485 0.450 -8.854 7.338 1.00 0.00 H new ATOM 0 HB3 HIS A 485 2.024 -9.511 6.935 1.00 0.00 H new ATOM 0 HD1 HIS A 485 3.809 -7.854 6.053 1.00 0.00 H new ATOM 0 HD2 HIS A 485 -0.065 -6.273 6.225 1.00 0.00 H new ATOM 0 HE1 HIS A 485 3.991 -5.352 5.565 1.00 0.00 H new