USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 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 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -95:sc= 0.103 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -164:sc= -1.03 (180deg=-1.75) USER MOD Single : A 469 THR OG1 : rot -29:sc= 0.162 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 471 LYS NZ :NH3+ -155:sc= -0.033 (180deg=-0.287) 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 478 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ -146:sc= -0.356 (180deg=-1.53!) USER MOD Single : A 482 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.13) USER MOD Single : A 489 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 491 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.01) USER MOD Single : A 495 GLN : amide:sc= -0.0917 X(o=-0.092,f=-0.11) USER MOD Single : A 498 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00452) USER MOD Single : A 501 ASN : amide:sc= -0.0474 K(o=-0.047,f=-0.68) USER MOD Single : A 506 MET CE :methyl -163:sc= -0.0757 (180deg=-0.525) USER MOD Single : A 508 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.6) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -166:sc= -0.0336 (180deg=-0.349) USER MOD Single : A 512 HIS :FLIP no HE2:sc= -1.83 F(o=-3.5!,f=-1.8) USER MOD Single : A 516 LYS NZ :NH3+ -168:sc=-0.00649 (180deg=-0.146) USER MOD ----------------------------------------------------------------- ATOM 45 N VAL A 454 -10.289 0.628 3.753 1.00 0.00 N ATOM 46 CA VAL A 454 -9.185 -0.260 3.409 1.00 0.00 C ATOM 47 C VAL A 454 -8.621 -0.941 4.652 1.00 0.00 C ATOM 48 O VAL A 454 -8.396 -0.296 5.677 1.00 0.00 O ATOM 49 CB VAL A 454 -8.052 0.500 2.695 1.00 0.00 C ATOM 50 CG1 VAL A 454 -6.998 -0.468 2.181 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.609 1.346 1.561 1.00 0.00 C ATOM 0 HA VAL A 454 -9.586 -1.015 2.733 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.577 1.166 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -6.206 0.089 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.576 -1.025 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -7.455 -1.163 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.794 1.876 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.112 0.702 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.321 2.068 1.961 1.00 0.00 H new ATOM 61 N THR A 455 -8.394 -2.247 4.555 1.00 0.00 N ATOM 62 CA THR A 455 -7.856 -3.014 5.671 1.00 0.00 C ATOM 63 C THR A 455 -6.331 -2.970 5.678 1.00 0.00 C ATOM 64 O THR A 455 -5.692 -3.109 4.635 1.00 0.00 O ATOM 65 CB THR A 455 -8.335 -4.465 5.598 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.749 -4.523 5.529 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.899 -5.300 6.782 1.00 0.00 C ATOM 0 H THR A 455 -8.575 -2.796 3.714 1.00 0.00 H new ATOM 0 HA THR A 455 -8.219 -2.565 6.596 1.00 0.00 H new ATOM 0 HB THR A 455 -7.878 -4.875 4.697 1.00 0.00 H new ATOM 0 HG1 THR A 455 -10.036 -5.459 5.481 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.272 -6.318 6.667 1.00 0.00 H new ATOM 0 HG22 THR A 455 -6.810 -5.316 6.834 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.300 -4.868 7.699 1.00 0.00 H new ATOM 75 N GLU A 456 -5.755 -2.776 6.859 1.00 0.00 N ATOM 76 CA GLU A 456 -4.305 -2.713 7.002 1.00 0.00 C ATOM 77 C GLU A 456 -3.665 -4.048 6.634 1.00 0.00 C ATOM 78 O GLU A 456 -2.606 -4.089 6.007 1.00 0.00 O ATOM 79 CB GLU A 456 -3.927 -2.333 8.435 1.00 0.00 C ATOM 80 CG GLU A 456 -4.423 -0.957 8.851 1.00 0.00 C ATOM 81 CD GLU A 456 -5.826 -0.988 9.426 1.00 0.00 C ATOM 82 OE1 GLU A 456 -6.399 -2.093 9.538 1.00 0.00 O ATOM 83 OE2 GLU A 456 -6.353 0.092 9.764 1.00 0.00 O ATOM 0 H GLU A 456 -6.270 -2.660 7.732 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.931 -1.949 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -4.333 -3.078 9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.842 -2.365 8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -3.741 -0.538 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -4.404 -0.292 7.987 1.00 0.00 H new ATOM 90 N ASP A 457 -4.314 -5.138 7.029 1.00 0.00 N ATOM 91 CA ASP A 457 -3.809 -6.476 6.742 1.00 0.00 C ATOM 92 C ASP A 457 -3.774 -6.737 5.240 1.00 0.00 C ATOM 93 O ASP A 457 -2.859 -7.386 4.735 1.00 0.00 O ATOM 94 CB ASP A 457 -4.675 -7.530 7.435 1.00 0.00 C ATOM 95 CG ASP A 457 -4.075 -8.920 7.350 1.00 0.00 C ATOM 96 OD1 ASP A 457 -2.879 -9.031 7.008 1.00 0.00 O ATOM 97 OD2 ASP A 457 -4.801 -9.898 7.627 1.00 0.00 O ATOM 0 H ASP A 457 -5.191 -5.121 7.549 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.791 -6.542 7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -4.806 -7.257 8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -5.666 -7.537 6.981 1.00 0.00 H new ATOM 102 N ALA A 458 -4.778 -6.230 4.532 1.00 0.00 N ATOM 103 CA ALA A 458 -4.862 -6.411 3.087 1.00 0.00 C ATOM 104 C ALA A 458 -3.620 -5.865 2.390 1.00 0.00 C ATOM 105 O ALA A 458 -3.040 -6.525 1.527 1.00 0.00 O ATOM 106 CB ALA A 458 -6.112 -5.736 2.544 1.00 0.00 C ATOM 0 H ALA A 458 -5.544 -5.691 4.935 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.920 -7.480 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.163 -5.879 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.994 -6.175 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.076 -4.670 2.768 1.00 0.00 H new ATOM 112 N VAL A 459 -3.216 -4.658 2.771 1.00 0.00 N ATOM 113 CA VAL A 459 -2.042 -4.025 2.183 1.00 0.00 C ATOM 114 C VAL A 459 -0.762 -4.732 2.617 1.00 0.00 C ATOM 115 O VAL A 459 0.176 -4.878 1.834 1.00 0.00 O ATOM 116 CB VAL A 459 -1.951 -2.537 2.573 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.809 -1.857 1.834 1.00 0.00 C ATOM 118 CG2 VAL A 459 -3.271 -1.833 2.295 1.00 0.00 C ATOM 0 H VAL A 459 -3.684 -4.099 3.484 1.00 0.00 H new ATOM 0 HA VAL A 459 -2.149 -4.103 1.101 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.747 -2.472 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.762 -0.807 2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.131 -2.346 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.977 -1.930 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -3.190 -0.783 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.506 -1.907 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -4.064 -2.304 2.876 1.00 0.00 H new ATOM 128 N ARG A 460 -0.731 -5.169 3.873 1.00 0.00 N ATOM 129 CA ARG A 460 0.433 -5.861 4.415 1.00 0.00 C ATOM 130 C ARG A 460 0.765 -7.103 3.593 1.00 0.00 C ATOM 131 O ARG A 460 1.935 -7.414 3.367 1.00 0.00 O ATOM 132 CB ARG A 460 0.184 -6.252 5.873 1.00 0.00 C ATOM 133 CG ARG A 460 1.402 -6.849 6.559 1.00 0.00 C ATOM 134 CD ARG A 460 1.083 -7.282 7.982 1.00 0.00 C ATOM 135 NE ARG A 460 2.277 -7.718 8.702 1.00 0.00 N ATOM 136 CZ ARG A 460 2.268 -8.143 9.963 1.00 0.00 C ATOM 137 NH1 ARG A 460 1.131 -8.192 10.646 1.00 0.00 N ATOM 138 NH2 ARG A 460 3.399 -8.522 10.543 1.00 0.00 N ATOM 0 H ARG A 460 -1.499 -5.056 4.534 1.00 0.00 H new ATOM 0 HA ARG A 460 1.283 -5.180 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -0.139 -5.370 6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -0.634 -6.971 5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.759 -7.706 5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 460 2.209 -6.116 6.573 1.00 0.00 H new ATOM 0 HD2 ARG A 460 0.619 -6.454 8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 460 0.356 -8.094 7.960 1.00 0.00 H new ATOM 0 HE ARG A 460 3.170 -7.695 8.209 1.00 0.00 H new ATOM 0 HH11 ARG A 460 0.258 -7.903 10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 460 1.130 -8.519 11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 460 4.276 -8.488 10.022 1.00 0.00 H new ATOM 0 HH22 ARG A 460 3.392 -8.848 11.510 1.00 0.00 H new ATOM 152 N ARG A 461 -0.270 -7.809 3.150 1.00 0.00 N ATOM 153 CA ARG A 461 -0.087 -9.017 2.354 1.00 0.00 C ATOM 154 C ARG A 461 0.682 -8.718 1.071 1.00 0.00 C ATOM 155 O ARG A 461 1.505 -9.519 0.628 1.00 0.00 O ATOM 156 CB ARG A 461 -1.442 -9.641 2.016 1.00 0.00 C ATOM 157 CG ARG A 461 -2.167 -10.214 3.223 1.00 0.00 C ATOM 158 CD ARG A 461 -3.458 -10.908 2.820 1.00 0.00 C ATOM 159 NE ARG A 461 -4.263 -11.281 3.980 1.00 0.00 N ATOM 160 CZ ARG A 461 -5.522 -11.708 3.903 1.00 0.00 C ATOM 161 NH1 ARG A 461 -6.122 -11.817 2.724 1.00 0.00 N ATOM 162 NH2 ARG A 461 -6.183 -12.027 5.007 1.00 0.00 N ATOM 0 H ARG A 461 -1.244 -7.565 3.329 1.00 0.00 H new ATOM 0 HA ARG A 461 0.495 -9.724 2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.074 -8.886 1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -1.295 -10.433 1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -1.517 -10.922 3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -2.388 -9.414 3.930 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -4.037 -10.249 2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -3.224 -11.800 2.239 1.00 0.00 H new ATOM 0 HE ARG A 461 -3.836 -11.210 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -5.619 -11.573 1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -7.086 -12.145 2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -5.727 -11.945 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -7.147 -12.354 4.948 1.00 0.00 H new ATOM 176 N TYR A 462 0.407 -7.561 0.477 1.00 0.00 N ATOM 177 CA TYR A 462 1.071 -7.159 -0.758 1.00 0.00 C ATOM 178 C TYR A 462 2.537 -6.817 -0.506 1.00 0.00 C ATOM 179 O TYR A 462 3.424 -7.285 -1.219 1.00 0.00 O ATOM 180 CB TYR A 462 0.356 -5.958 -1.378 1.00 0.00 C ATOM 181 CG TYR A 462 -1.093 -6.225 -1.720 1.00 0.00 C ATOM 182 CD1 TYR A 462 -1.464 -7.379 -2.399 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.088 -5.324 -1.365 1.00 0.00 C ATOM 184 CE1 TYR A 462 -2.787 -7.627 -2.714 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.413 -5.565 -1.676 1.00 0.00 C ATOM 186 CZ TYR A 462 -3.757 -6.717 -2.350 1.00 0.00 C ATOM 187 OH TYR A 462 -5.075 -6.960 -2.662 1.00 0.00 O ATOM 0 H TYR A 462 -0.271 -6.886 0.831 1.00 0.00 H new ATOM 0 HA TYR A 462 1.028 -7.999 -1.452 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.408 -5.118 -0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.885 -5.659 -2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -0.707 -8.094 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -1.822 -4.420 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.059 -8.529 -3.242 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.175 -4.854 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 462 -5.630 -6.222 -2.334 1.00 0.00 H new ATOM 197 N LEU A 463 2.783 -5.997 0.511 1.00 0.00 N ATOM 198 CA LEU A 463 4.142 -5.591 0.853 1.00 0.00 C ATOM 199 C LEU A 463 4.965 -6.782 1.332 1.00 0.00 C ATOM 200 O LEU A 463 6.144 -6.908 1.000 1.00 0.00 O ATOM 201 CB LEU A 463 4.116 -4.507 1.932 1.00 0.00 C ATOM 202 CG LEU A 463 3.657 -3.130 1.452 1.00 0.00 C ATOM 203 CD1 LEU A 463 2.149 -2.989 1.596 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.373 -2.031 2.222 1.00 0.00 C ATOM 0 H LEU A 463 2.060 -5.601 1.112 1.00 0.00 H new ATOM 0 HA LEU A 463 4.610 -5.190 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.458 -4.833 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.116 -4.413 2.356 1.00 0.00 H new ATOM 0 HG LEU A 463 3.911 -3.031 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 463 1.841 -2.003 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 463 1.653 -3.754 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.871 -3.109 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.034 -1.058 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 463 4.151 -2.127 3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 463 5.448 -2.119 2.067 1.00 0.00 H new ATOM 216 N THR A 464 4.338 -7.653 2.114 1.00 0.00 N ATOM 217 CA THR A 464 5.009 -8.831 2.639 1.00 0.00 C ATOM 218 C THR A 464 5.412 -9.783 1.515 1.00 0.00 C ATOM 219 O THR A 464 6.330 -10.587 1.672 1.00 0.00 O ATOM 220 CB THR A 464 4.099 -9.551 3.632 1.00 0.00 C ATOM 221 OG1 THR A 464 2.834 -9.820 3.053 1.00 0.00 O ATOM 222 CG2 THR A 464 3.867 -8.770 4.908 1.00 0.00 C ATOM 0 H THR A 464 3.362 -7.563 2.398 1.00 0.00 H new ATOM 0 HA THR A 464 5.915 -8.506 3.150 1.00 0.00 H new ATOM 0 HB THR A 464 4.621 -10.475 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.208 -9.104 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 464 3.212 -9.338 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.821 -8.594 5.406 1.00 0.00 H new ATOM 0 HG23 THR A 464 3.401 -7.814 4.670 1.00 0.00 H new ATOM 230 N ARG A 465 4.721 -9.688 0.383 1.00 0.00 N ATOM 231 CA ARG A 465 5.012 -10.544 -0.761 1.00 0.00 C ATOM 232 C ARG A 465 6.209 -10.019 -1.543 1.00 0.00 C ATOM 233 O ARG A 465 7.256 -10.663 -1.607 1.00 0.00 O ATOM 234 CB ARG A 465 3.791 -10.640 -1.677 1.00 0.00 C ATOM 235 CG ARG A 465 3.961 -11.634 -2.814 1.00 0.00 C ATOM 236 CD ARG A 465 2.739 -11.660 -3.718 1.00 0.00 C ATOM 237 NE ARG A 465 2.838 -12.695 -4.744 1.00 0.00 N ATOM 238 CZ ARG A 465 1.796 -13.169 -5.423 1.00 0.00 C ATOM 239 NH1 ARG A 465 0.575 -12.705 -5.188 1.00 0.00 N ATOM 240 NH2 ARG A 465 1.975 -14.111 -6.340 1.00 0.00 N ATOM 0 H ARG A 465 3.957 -9.028 0.234 1.00 0.00 H new ATOM 0 HA ARG A 465 5.255 -11.538 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.923 -10.925 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.582 -9.655 -2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 465 4.842 -11.372 -3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 465 4.134 -12.630 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 465 1.847 -11.831 -3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 465 2.620 -10.687 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 465 3.760 -13.077 -4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 465 0.431 -11.981 -4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -0.220 -13.072 -5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 465 2.911 -14.472 -6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 465 1.177 -14.474 -6.860 1.00 0.00 H new ATOM 254 N LYS A 466 6.045 -8.844 -2.134 1.00 0.00 N ATOM 255 CA LYS A 466 7.109 -8.222 -2.913 1.00 0.00 C ATOM 256 C LYS A 466 7.063 -6.701 -2.781 1.00 0.00 C ATOM 257 O LYS A 466 5.986 -6.113 -2.683 1.00 0.00 O ATOM 258 CB LYS A 466 6.991 -8.621 -4.386 1.00 0.00 C ATOM 259 CG LYS A 466 5.593 -8.444 -4.954 1.00 0.00 C ATOM 260 CD LYS A 466 5.275 -9.508 -5.992 1.00 0.00 C ATOM 261 CE LYS A 466 3.919 -9.270 -6.637 1.00 0.00 C ATOM 262 NZ LYS A 466 4.026 -8.428 -7.861 1.00 0.00 N ATOM 0 H LYS A 466 5.183 -8.300 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 466 8.064 -8.574 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 466 7.690 -8.025 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 466 7.290 -9.663 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 466 4.862 -8.492 -4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 466 5.505 -7.456 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 466 6.049 -9.511 -6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 466 5.288 -10.491 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 466 3.466 -10.228 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 466 3.256 -8.786 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 3.080 -8.289 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 4.435 -7.505 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 4.638 -8.902 -8.556 1.00 0.00 H new ATOM 276 N PRO A 467 8.235 -6.040 -2.777 1.00 0.00 N ATOM 277 CA PRO A 467 8.315 -4.580 -2.657 1.00 0.00 C ATOM 278 C PRO A 467 7.524 -3.868 -3.749 1.00 0.00 C ATOM 279 O PRO A 467 7.618 -4.220 -4.925 1.00 0.00 O ATOM 280 CB PRO A 467 9.811 -4.284 -2.804 1.00 0.00 C ATOM 281 CG PRO A 467 10.493 -5.560 -2.449 1.00 0.00 C ATOM 282 CD PRO A 467 9.568 -6.659 -2.888 1.00 0.00 C ATOM 0 HA PRO A 467 7.891 -4.228 -1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 467 10.054 -3.976 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 467 10.120 -3.474 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 467 11.458 -5.639 -2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.684 -5.615 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.779 -6.980 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.658 -7.539 -2.252 1.00 0.00 H new ATOM 290 N MET A 468 6.745 -2.866 -3.354 1.00 0.00 N ATOM 291 CA MET A 468 5.939 -2.107 -4.304 1.00 0.00 C ATOM 292 C MET A 468 5.918 -0.626 -3.939 1.00 0.00 C ATOM 293 O MET A 468 6.172 -0.254 -2.794 1.00 0.00 O ATOM 294 CB MET A 468 4.510 -2.652 -4.346 1.00 0.00 C ATOM 295 CG MET A 468 4.431 -4.127 -4.702 1.00 0.00 C ATOM 296 SD MET A 468 2.796 -4.614 -5.284 1.00 0.00 S ATOM 297 CE MET A 468 1.750 -3.788 -4.087 1.00 0.00 C ATOM 0 H MET A 468 6.655 -2.561 -2.385 1.00 0.00 H new ATOM 0 HA MET A 468 6.391 -2.215 -5.290 1.00 0.00 H new ATOM 0 HB2 MET A 468 4.042 -2.496 -3.374 1.00 0.00 H new ATOM 0 HB3 MET A 468 3.933 -2.080 -5.073 1.00 0.00 H new ATOM 0 HG2 MET A 468 5.168 -4.351 -5.473 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.693 -4.722 -3.828 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.746 -4.209 -4.130 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.160 -3.929 -3.087 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.707 -2.723 -4.315 1.00 0.00 H new ATOM 307 N THR A 469 5.610 0.214 -4.922 1.00 0.00 N ATOM 308 CA THR A 469 5.552 1.655 -4.707 1.00 0.00 C ATOM 309 C THR A 469 4.115 2.109 -4.474 1.00 0.00 C ATOM 310 O THR A 469 3.168 1.378 -4.763 1.00 0.00 O ATOM 311 CB THR A 469 6.144 2.395 -5.907 1.00 0.00 C ATOM 312 OG1 THR A 469 5.295 2.283 -7.035 1.00 0.00 O ATOM 313 CG2 THR A 469 7.511 1.887 -6.310 1.00 0.00 C ATOM 0 H THR A 469 5.397 -0.079 -5.876 1.00 0.00 H new ATOM 0 HA THR A 469 6.139 1.890 -3.819 1.00 0.00 H new ATOM 0 HB THR A 469 6.240 3.432 -5.586 1.00 0.00 H new ATOM 0 HG1 THR A 469 4.797 1.440 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.872 2.455 -7.167 1.00 0.00 H new ATOM 0 HG22 THR A 469 8.204 2.007 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 469 7.443 0.832 -6.577 1.00 0.00 H new ATOM 321 N THR A 470 3.960 3.320 -3.949 1.00 0.00 N ATOM 322 CA THR A 470 2.638 3.871 -3.675 1.00 0.00 C ATOM 323 C THR A 470 1.821 3.995 -4.958 1.00 0.00 C ATOM 324 O THR A 470 0.595 3.884 -4.937 1.00 0.00 O ATOM 325 CB THR A 470 2.764 5.240 -3.004 1.00 0.00 C ATOM 326 OG1 THR A 470 3.948 5.896 -3.420 1.00 0.00 O ATOM 327 CG2 THR A 470 2.788 5.164 -1.492 1.00 0.00 C ATOM 0 H THR A 470 4.734 3.938 -3.705 1.00 0.00 H new ATOM 0 HA THR A 470 2.120 3.188 -3.002 1.00 0.00 H new ATOM 0 HB THR A 470 1.877 5.795 -3.311 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.009 6.770 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 470 2.879 6.168 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 470 1.865 4.707 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 470 3.638 4.561 -1.171 1.00 0.00 H new ATOM 335 N LYS A 471 2.507 4.229 -6.071 1.00 0.00 N ATOM 336 CA LYS A 471 1.844 4.372 -7.364 1.00 0.00 C ATOM 337 C LYS A 471 1.016 3.135 -7.698 1.00 0.00 C ATOM 338 O LYS A 471 -0.164 3.239 -8.034 1.00 0.00 O ATOM 339 CB LYS A 471 2.877 4.620 -8.465 1.00 0.00 C ATOM 340 CG LYS A 471 3.387 6.051 -8.509 1.00 0.00 C ATOM 341 CD LYS A 471 4.548 6.262 -7.548 1.00 0.00 C ATOM 342 CE LYS A 471 4.178 7.223 -6.429 1.00 0.00 C ATOM 343 NZ LYS A 471 3.873 8.586 -6.945 1.00 0.00 N ATOM 0 H LYS A 471 3.522 4.324 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 471 1.172 5.228 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.721 3.946 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 471 2.435 4.371 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 471 3.705 6.294 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 471 2.576 6.735 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 471 4.848 5.304 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 471 5.407 6.651 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 471 3.313 6.837 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.999 7.281 -5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 4.041 9.287 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.487 8.795 -7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 2.878 8.630 -7.243 1.00 0.00 H new ATOM 357 N ASP A 472 1.640 1.965 -7.606 1.00 0.00 N ATOM 358 CA ASP A 472 0.956 0.710 -7.902 1.00 0.00 C ATOM 359 C ASP A 472 -0.077 0.383 -6.828 1.00 0.00 C ATOM 360 O ASP A 472 -1.101 -0.239 -7.108 1.00 0.00 O ATOM 361 CB ASP A 472 1.967 -0.432 -8.021 1.00 0.00 C ATOM 362 CG ASP A 472 2.731 -0.669 -6.734 1.00 0.00 C ATOM 363 OD1 ASP A 472 2.086 -0.956 -5.704 1.00 0.00 O ATOM 364 OD2 ASP A 472 3.976 -0.568 -6.756 1.00 0.00 O ATOM 0 H ASP A 472 2.616 1.859 -7.329 1.00 0.00 H new ATOM 0 HA ASP A 472 0.437 0.826 -8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 472 1.445 -1.346 -8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.672 -0.207 -8.822 1.00 0.00 H new ATOM 369 N LEU A 473 0.198 0.805 -5.598 1.00 0.00 N ATOM 370 CA LEU A 473 -0.710 0.555 -4.485 1.00 0.00 C ATOM 371 C LEU A 473 -2.072 1.191 -4.739 1.00 0.00 C ATOM 372 O LEU A 473 -3.110 0.583 -4.477 1.00 0.00 O ATOM 373 CB LEU A 473 -0.115 1.095 -3.182 1.00 0.00 C ATOM 374 CG LEU A 473 1.085 0.313 -2.645 1.00 0.00 C ATOM 375 CD1 LEU A 473 1.753 1.074 -1.510 1.00 0.00 C ATOM 376 CD2 LEU A 473 0.655 -1.071 -2.182 1.00 0.00 C ATOM 0 H LEU A 473 1.041 1.321 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.845 -0.523 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.187 2.130 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -0.895 1.103 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 473 1.809 0.196 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 473 2.604 0.503 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 473 2.096 2.042 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 473 1.038 1.223 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 473 1.521 -1.613 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -0.088 -0.975 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 473 0.223 -1.617 -3.021 1.00 0.00 H new ATOM 388 N LEU A 474 -2.063 2.417 -5.252 1.00 0.00 N ATOM 389 CA LEU A 474 -3.299 3.133 -5.542 1.00 0.00 C ATOM 390 C LEU A 474 -4.076 2.444 -6.659 1.00 0.00 C ATOM 391 O LEU A 474 -5.294 2.287 -6.577 1.00 0.00 O ATOM 392 CB LEU A 474 -2.996 4.581 -5.933 1.00 0.00 C ATOM 393 CG LEU A 474 -2.299 5.412 -4.855 1.00 0.00 C ATOM 394 CD1 LEU A 474 -2.040 6.824 -5.355 1.00 0.00 C ATOM 395 CD2 LEU A 474 -3.132 5.439 -3.582 1.00 0.00 C ATOM 0 H LEU A 474 -1.213 2.935 -5.475 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.912 3.129 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.372 4.577 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -3.932 5.072 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.339 4.947 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.544 7.401 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -1.403 6.786 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.987 7.299 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -2.621 6.035 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -4.106 5.880 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -3.266 4.422 -3.213 1.00 0.00 H new ATOM 407 N LYS A 475 -3.362 2.036 -7.703 1.00 0.00 N ATOM 408 CA LYS A 475 -3.982 1.362 -8.838 1.00 0.00 C ATOM 409 C LYS A 475 -4.571 0.019 -8.420 1.00 0.00 C ATOM 410 O LYS A 475 -5.567 -0.436 -8.983 1.00 0.00 O ATOM 411 CB LYS A 475 -2.959 1.157 -9.957 1.00 0.00 C ATOM 412 CG LYS A 475 -3.561 0.596 -11.235 1.00 0.00 C ATOM 413 CD LYS A 475 -2.497 0.361 -12.295 1.00 0.00 C ATOM 414 CE LYS A 475 -3.115 -0.043 -13.624 1.00 0.00 C ATOM 415 NZ LYS A 475 -2.340 0.485 -14.781 1.00 0.00 N ATOM 0 H LYS A 475 -2.353 2.160 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.791 1.994 -9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -2.479 2.110 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -2.179 0.482 -9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -4.072 -0.342 -11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -4.312 1.287 -11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.907 1.268 -12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.813 -0.418 -11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -3.164 -1.130 -13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -4.139 0.326 -13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -2.794 0.187 -15.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -2.314 1.524 -14.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -1.369 0.113 -14.747 1.00 0.00 H new ATOM 429 N LYS A 476 -3.948 -0.612 -7.429 1.00 0.00 N ATOM 430 CA LYS A 476 -4.409 -1.906 -6.936 1.00 0.00 C ATOM 431 C LYS A 476 -5.861 -1.831 -6.475 1.00 0.00 C ATOM 432 O LYS A 476 -6.650 -2.742 -6.726 1.00 0.00 O ATOM 433 CB LYS A 476 -3.520 -2.380 -5.784 1.00 0.00 C ATOM 434 CG LYS A 476 -3.834 -3.791 -5.316 1.00 0.00 C ATOM 435 CD LYS A 476 -3.333 -4.830 -6.306 1.00 0.00 C ATOM 436 CE LYS A 476 -3.517 -6.242 -5.773 1.00 0.00 C ATOM 437 NZ LYS A 476 -3.025 -7.267 -6.734 1.00 0.00 N ATOM 0 H LYS A 476 -3.123 -0.249 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.346 -2.622 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.477 -2.334 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.631 -1.694 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -3.375 -3.963 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -4.910 -3.901 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.869 -4.723 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.278 -4.654 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -2.984 -6.345 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -4.573 -6.417 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -3.168 -8.216 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -3.551 -7.186 -7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -2.012 -7.117 -6.913 1.00 0.00 H new ATOM 451 N PHE A 477 -6.209 -0.739 -5.801 1.00 0.00 N ATOM 452 CA PHE A 477 -7.567 -0.547 -5.306 1.00 0.00 C ATOM 453 C PHE A 477 -8.354 0.397 -6.212 1.00 0.00 C ATOM 454 O PHE A 477 -9.335 1.005 -5.787 1.00 0.00 O ATOM 455 CB PHE A 477 -7.539 0.004 -3.879 1.00 0.00 C ATOM 456 CG PHE A 477 -6.917 -0.935 -2.885 1.00 0.00 C ATOM 457 CD1 PHE A 477 -7.678 -1.914 -2.266 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.571 -0.839 -2.571 1.00 0.00 C ATOM 459 CE1 PHE A 477 -7.108 -2.779 -1.351 1.00 0.00 C ATOM 460 CE2 PHE A 477 -4.995 -1.701 -1.657 1.00 0.00 C ATOM 461 CZ PHE A 477 -5.765 -2.672 -1.046 1.00 0.00 C ATOM 0 H PHE A 477 -5.569 0.026 -5.585 1.00 0.00 H new ATOM 0 HA PHE A 477 -8.064 -1.517 -5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.988 0.944 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.558 0.229 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.728 -2.002 -2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.965 -0.082 -3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -7.712 -3.538 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -3.945 -1.616 -1.421 1.00 0.00 H new ATOM 0 HZ PHE A 477 -5.317 -3.346 -0.331 1.00 0.00 H new ATOM 471 N GLN A 478 -7.917 0.516 -7.463 1.00 0.00 N ATOM 472 CA GLN A 478 -8.582 1.387 -8.425 1.00 0.00 C ATOM 473 C GLN A 478 -9.984 0.879 -8.745 1.00 0.00 C ATOM 474 O GLN A 478 -10.925 1.662 -8.870 1.00 0.00 O ATOM 475 CB GLN A 478 -7.758 1.487 -9.709 1.00 0.00 C ATOM 476 CG GLN A 478 -8.306 2.493 -10.708 1.00 0.00 C ATOM 477 CD GLN A 478 -7.548 2.483 -12.021 1.00 0.00 C ATOM 478 OE1 GLN A 478 -7.559 1.491 -12.750 1.00 0.00 O ATOM 479 NE2 GLN A 478 -6.884 3.591 -12.330 1.00 0.00 N ATOM 0 H GLN A 478 -7.106 0.020 -7.833 1.00 0.00 H new ATOM 0 HA GLN A 478 -8.669 2.378 -7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -6.735 1.762 -9.453 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.716 0.505 -10.181 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -9.357 2.275 -10.898 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -8.261 3.492 -10.274 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -6.902 4.390 -11.696 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -6.356 3.643 -13.201 1.00 0.00 H new ATOM 488 N THR A 479 -10.116 -0.437 -8.879 1.00 0.00 N ATOM 489 CA THR A 479 -11.404 -1.049 -9.187 1.00 0.00 C ATOM 490 C THR A 479 -11.824 -2.025 -8.092 1.00 0.00 C ATOM 491 O THR A 479 -12.551 -2.985 -8.350 1.00 0.00 O ATOM 492 CB THR A 479 -11.337 -1.773 -10.532 1.00 0.00 C ATOM 493 OG1 THR A 479 -10.429 -2.859 -10.473 1.00 0.00 O ATOM 494 CG2 THR A 479 -10.908 -0.877 -11.674 1.00 0.00 C ATOM 0 H THR A 479 -9.347 -1.100 -8.779 1.00 0.00 H new ATOM 0 HA THR A 479 -12.149 -0.255 -9.243 1.00 0.00 H new ATOM 0 HB THR A 479 -12.353 -2.118 -10.725 1.00 0.00 H new ATOM 0 HG1 THR A 479 -10.402 -3.310 -11.343 1.00 0.00 H new ATOM 0 HG21 THR A 479 -10.881 -1.454 -12.599 1.00 0.00 H new ATOM 0 HG22 THR A 479 -11.617 -0.056 -11.779 1.00 0.00 H new ATOM 0 HG23 THR A 479 -9.916 -0.475 -11.468 1.00 0.00 H new ATOM 502 N LYS A 480 -11.366 -1.774 -6.870 1.00 0.00 N ATOM 503 CA LYS A 480 -11.699 -2.633 -5.739 1.00 0.00 C ATOM 504 C LYS A 480 -12.790 -2.004 -4.880 1.00 0.00 C ATOM 505 O LYS A 480 -12.960 -0.784 -4.868 1.00 0.00 O ATOM 506 CB LYS A 480 -10.455 -2.903 -4.891 1.00 0.00 C ATOM 507 CG LYS A 480 -9.439 -3.805 -5.572 1.00 0.00 C ATOM 508 CD LYS A 480 -8.314 -4.191 -4.625 1.00 0.00 C ATOM 509 CE LYS A 480 -7.348 -5.167 -5.277 1.00 0.00 C ATOM 510 NZ LYS A 480 -7.861 -6.564 -5.244 1.00 0.00 N ATOM 0 H LYS A 480 -10.764 -0.984 -6.638 1.00 0.00 H new ATOM 0 HA LYS A 480 -12.073 -3.579 -6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -9.979 -1.953 -4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -10.760 -3.359 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -9.935 -4.705 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -9.025 -3.296 -6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -7.775 -3.296 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -8.733 -4.639 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -7.174 -4.869 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -6.386 -5.122 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -7.173 -7.197 -5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -8.003 -6.858 -4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -8.766 -6.614 -5.754 1.00 0.00 H new ATOM 524 N LYS A 481 -13.530 -2.844 -4.163 1.00 0.00 N ATOM 525 CA LYS A 481 -14.607 -2.372 -3.301 1.00 0.00 C ATOM 526 C LYS A 481 -14.073 -1.426 -2.231 1.00 0.00 C ATOM 527 O LYS A 481 -13.159 -1.772 -1.482 1.00 0.00 O ATOM 528 CB LYS A 481 -15.318 -3.556 -2.644 1.00 0.00 C ATOM 529 CG LYS A 481 -16.419 -4.156 -3.502 1.00 0.00 C ATOM 530 CD LYS A 481 -15.855 -5.095 -4.557 1.00 0.00 C ATOM 531 CE LYS A 481 -15.789 -4.426 -5.920 1.00 0.00 C ATOM 532 NZ LYS A 481 -17.096 -3.829 -6.310 1.00 0.00 N ATOM 0 H LYS A 481 -13.403 -3.856 -4.162 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.320 -1.826 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -14.584 -4.329 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -15.744 -3.232 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -17.121 -4.699 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.980 -3.357 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -14.857 -5.419 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -16.475 -5.989 -4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -15.025 -3.649 -5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -15.486 -5.158 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -17.220 -3.907 -7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -17.866 -4.336 -5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -17.116 -2.826 -6.034 1.00 0.00 H new ATOM 546 N THR A 482 -14.651 -0.232 -2.165 1.00 0.00 N ATOM 547 CA THR A 482 -14.238 0.769 -1.187 1.00 0.00 C ATOM 548 C THR A 482 -15.091 2.027 -1.309 1.00 0.00 C ATOM 549 O THR A 482 -15.457 2.642 -0.307 1.00 0.00 O ATOM 550 CB THR A 482 -12.760 1.118 -1.375 1.00 0.00 C ATOM 551 OG1 THR A 482 -12.336 0.814 -2.692 1.00 0.00 O ATOM 552 CG2 THR A 482 -11.845 0.385 -0.418 1.00 0.00 C ATOM 0 H THR A 482 -15.409 0.067 -2.779 1.00 0.00 H new ATOM 0 HA THR A 482 -14.379 0.350 -0.191 1.00 0.00 H new ATOM 0 HB THR A 482 -12.689 2.187 -1.174 1.00 0.00 H new ATOM 0 HG1 THR A 482 -11.389 1.045 -2.792 1.00 0.00 H new ATOM 0 HG21 THR A 482 -10.812 0.678 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.114 0.638 0.608 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.949 -0.690 -0.566 1.00 0.00 H new ATOM 560 N GLY A 483 -15.404 2.404 -2.545 1.00 0.00 N ATOM 561 CA GLY A 483 -16.212 3.587 -2.777 1.00 0.00 C ATOM 562 C GLY A 483 -15.430 4.873 -2.591 1.00 0.00 C ATOM 563 O GLY A 483 -16.007 5.920 -2.301 1.00 0.00 O ATOM 0 H GLY A 483 -15.113 1.912 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -16.615 3.554 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.062 3.581 -2.095 1.00 0.00 H new ATOM 567 N LEU A 484 -14.114 4.794 -2.759 1.00 0.00 N ATOM 568 CA LEU A 484 -13.253 5.961 -2.607 1.00 0.00 C ATOM 569 C LEU A 484 -12.625 6.351 -3.941 1.00 0.00 C ATOM 570 O LEU A 484 -12.179 5.493 -4.703 1.00 0.00 O ATOM 571 CB LEU A 484 -12.158 5.683 -1.576 1.00 0.00 C ATOM 572 CG LEU A 484 -12.660 5.232 -0.203 1.00 0.00 C ATOM 573 CD1 LEU A 484 -11.496 5.061 0.761 1.00 0.00 C ATOM 574 CD2 LEU A 484 -13.669 6.228 0.348 1.00 0.00 C ATOM 0 H LEU A 484 -13.621 3.934 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 484 -13.867 6.791 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -11.493 4.916 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -11.562 6.587 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 484 -13.155 4.268 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -11.872 4.740 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -10.809 4.310 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -10.972 6.010 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -14.016 5.892 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -13.198 7.206 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -14.517 6.301 -0.333 1.00 0.00 H new ATOM 586 N SER A 485 -12.591 7.651 -4.216 1.00 0.00 N ATOM 587 CA SER A 485 -12.016 8.154 -5.458 1.00 0.00 C ATOM 588 C SER A 485 -10.520 7.867 -5.518 1.00 0.00 C ATOM 589 O SER A 485 -9.886 7.605 -4.496 1.00 0.00 O ATOM 590 CB SER A 485 -12.265 9.658 -5.587 1.00 0.00 C ATOM 591 OG SER A 485 -13.651 9.951 -5.562 1.00 0.00 O ATOM 0 H SER A 485 -12.955 8.375 -3.596 1.00 0.00 H new ATOM 0 HA SER A 485 -12.500 7.641 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 485 -11.765 10.183 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 485 -11.830 10.023 -6.517 1.00 0.00 H new ATOM 0 HG SER A 485 -13.782 10.919 -5.644 1.00 0.00 H new ATOM 597 N SER A 486 -9.960 7.918 -6.723 1.00 0.00 N ATOM 598 CA SER A 486 -8.536 7.662 -6.916 1.00 0.00 C ATOM 599 C SER A 486 -7.692 8.624 -6.085 1.00 0.00 C ATOM 600 O SER A 486 -6.691 8.229 -5.487 1.00 0.00 O ATOM 601 CB SER A 486 -8.170 7.792 -8.395 1.00 0.00 C ATOM 602 OG SER A 486 -8.977 6.947 -9.197 1.00 0.00 O ATOM 0 H SER A 486 -10.470 8.134 -7.580 1.00 0.00 H new ATOM 0 HA SER A 486 -8.327 6.645 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 486 -8.293 8.827 -8.714 1.00 0.00 H new ATOM 0 HB3 SER A 486 -7.120 7.538 -8.536 1.00 0.00 H new ATOM 0 HG SER A 486 -8.724 7.050 -10.138 1.00 0.00 H new ATOM 608 N GLU A 487 -8.104 9.887 -6.051 1.00 0.00 N ATOM 609 CA GLU A 487 -7.387 10.904 -5.291 1.00 0.00 C ATOM 610 C GLU A 487 -7.576 10.697 -3.792 1.00 0.00 C ATOM 611 O GLU A 487 -6.628 10.806 -3.015 1.00 0.00 O ATOM 612 CB GLU A 487 -7.866 12.301 -5.690 1.00 0.00 C ATOM 613 CG GLU A 487 -7.075 13.425 -5.040 1.00 0.00 C ATOM 614 CD GLU A 487 -7.628 14.798 -5.372 1.00 0.00 C ATOM 615 OE1 GLU A 487 -8.655 14.871 -6.080 1.00 0.00 O ATOM 616 OE2 GLU A 487 -7.032 15.801 -4.925 1.00 0.00 O ATOM 0 H GLU A 487 -8.930 10.230 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 487 -6.325 10.813 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -7.802 12.402 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -8.917 12.406 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -7.079 13.288 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -6.036 13.368 -5.365 1.00 0.00 H new ATOM 623 N GLN A 488 -8.808 10.399 -3.393 1.00 0.00 N ATOM 624 CA GLN A 488 -9.124 10.176 -1.987 1.00 0.00 C ATOM 625 C GLN A 488 -8.393 8.949 -1.452 1.00 0.00 C ATOM 626 O GLN A 488 -8.002 8.906 -0.285 1.00 0.00 O ATOM 627 CB GLN A 488 -10.633 10.005 -1.802 1.00 0.00 C ATOM 628 CG GLN A 488 -11.439 11.224 -2.220 1.00 0.00 C ATOM 629 CD GLN A 488 -11.051 12.471 -1.450 1.00 0.00 C ATOM 630 OE1 GLN A 488 -10.978 12.459 -0.221 1.00 0.00 O ATOM 631 NE2 GLN A 488 -10.801 13.558 -2.171 1.00 0.00 N ATOM 0 H GLN A 488 -9.604 10.306 -4.024 1.00 0.00 H new ATOM 0 HA GLN A 488 -8.792 11.048 -1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -10.966 9.144 -2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -10.840 9.785 -0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -11.297 11.401 -3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -12.500 11.023 -2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -10.873 13.523 -3.188 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -10.536 14.427 -1.708 1.00 0.00 H new ATOM 640 N THR A 489 -8.212 7.952 -2.313 1.00 0.00 N ATOM 641 CA THR A 489 -7.528 6.723 -1.928 1.00 0.00 C ATOM 642 C THR A 489 -6.117 7.017 -1.427 1.00 0.00 C ATOM 643 O THR A 489 -5.629 6.369 -0.501 1.00 0.00 O ATOM 644 CB THR A 489 -7.469 5.755 -3.111 1.00 0.00 C ATOM 645 OG1 THR A 489 -8.768 5.501 -3.616 1.00 0.00 O ATOM 646 CG2 THR A 489 -6.843 4.422 -2.762 1.00 0.00 C ATOM 0 H THR A 489 -8.530 7.972 -3.282 1.00 0.00 H new ATOM 0 HA THR A 489 -8.093 6.263 -1.117 1.00 0.00 H new ATOM 0 HB THR A 489 -6.845 6.247 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.047 6.244 -4.191 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.832 3.783 -3.645 1.00 0.00 H new ATOM 0 HG22 THR A 489 -5.822 4.579 -2.415 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.424 3.942 -1.974 1.00 0.00 H new ATOM 654 N VAL A 490 -5.467 7.997 -2.045 1.00 0.00 N ATOM 655 CA VAL A 490 -4.113 8.376 -1.662 1.00 0.00 C ATOM 656 C VAL A 490 -4.058 8.818 -0.203 1.00 0.00 C ATOM 657 O VAL A 490 -3.164 8.418 0.543 1.00 0.00 O ATOM 658 CB VAL A 490 -3.575 9.513 -2.552 1.00 0.00 C ATOM 659 CG1 VAL A 490 -2.112 9.789 -2.244 1.00 0.00 C ATOM 660 CG2 VAL A 490 -3.763 9.174 -4.023 1.00 0.00 C ATOM 0 H VAL A 490 -5.856 8.543 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 490 -3.488 7.493 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 490 -4.143 10.418 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -1.751 10.595 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.009 10.081 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -1.525 8.889 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -3.377 9.988 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -3.223 8.256 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -4.824 9.034 -4.231 1.00 0.00 H new ATOM 670 N ASN A 491 -5.019 9.644 0.197 1.00 0.00 N ATOM 671 CA ASN A 491 -5.079 10.139 1.567 1.00 0.00 C ATOM 672 C ASN A 491 -5.265 8.991 2.553 1.00 0.00 C ATOM 673 O ASN A 491 -4.613 8.944 3.597 1.00 0.00 O ATOM 674 CB ASN A 491 -6.221 11.146 1.718 1.00 0.00 C ATOM 675 CG ASN A 491 -6.051 12.353 0.817 1.00 0.00 C ATOM 676 OD1 ASN A 491 -6.968 12.733 0.089 1.00 0.00 O ATOM 677 ND2 ASN A 491 -4.873 12.964 0.861 1.00 0.00 N ATOM 0 H ASN A 491 -5.766 9.984 -0.408 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.134 10.635 1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -7.167 10.655 1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -6.276 11.476 2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -4.701 13.782 0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -4.140 12.615 1.479 1.00 0.00 H new ATOM 684 N VAL A 492 -6.157 8.066 2.216 1.00 0.00 N ATOM 685 CA VAL A 492 -6.427 6.917 3.072 1.00 0.00 C ATOM 686 C VAL A 492 -5.259 5.938 3.059 1.00 0.00 C ATOM 687 O VAL A 492 -4.845 5.435 4.105 1.00 0.00 O ATOM 688 CB VAL A 492 -7.707 6.179 2.635 1.00 0.00 C ATOM 689 CG1 VAL A 492 -8.049 5.069 3.617 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.866 7.155 2.499 1.00 0.00 C ATOM 0 H VAL A 492 -6.705 8.090 1.356 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.566 7.300 4.083 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.526 5.726 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.956 4.561 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.227 4.354 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.209 5.496 4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.761 6.616 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -9.048 7.640 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.621 7.910 1.752 1.00 0.00 H new ATOM 700 N LEU A 493 -4.731 5.670 1.870 1.00 0.00 N ATOM 701 CA LEU A 493 -3.609 4.750 1.720 1.00 0.00 C ATOM 702 C LEU A 493 -2.395 5.241 2.502 1.00 0.00 C ATOM 703 O LEU A 493 -1.636 4.445 3.053 1.00 0.00 O ATOM 704 CB LEU A 493 -3.248 4.589 0.242 1.00 0.00 C ATOM 705 CG LEU A 493 -2.285 3.441 -0.067 1.00 0.00 C ATOM 706 CD1 LEU A 493 -2.560 2.872 -1.450 1.00 0.00 C ATOM 707 CD2 LEU A 493 -0.843 3.913 0.040 1.00 0.00 C ATOM 0 H LEU A 493 -5.062 6.077 0.995 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.909 3.782 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -4.166 4.436 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.805 5.520 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 493 -2.444 2.651 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.866 2.057 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.583 2.497 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.429 3.654 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.171 3.084 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -0.671 4.721 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.652 4.273 1.051 1.00 0.00 H new ATOM 719 N ALA A 494 -2.218 6.556 2.548 1.00 0.00 N ATOM 720 CA ALA A 494 -1.096 7.149 3.265 1.00 0.00 C ATOM 721 C ALA A 494 -1.188 6.859 4.760 1.00 0.00 C ATOM 722 O ALA A 494 -0.171 6.732 5.442 1.00 0.00 O ATOM 723 CB ALA A 494 -1.046 8.649 3.019 1.00 0.00 C ATOM 0 H ALA A 494 -2.836 7.231 2.098 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.177 6.700 2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.203 9.079 3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -0.927 8.839 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.972 9.106 3.368 1.00 0.00 H new ATOM 729 N GLN A 495 -2.414 6.757 5.262 1.00 0.00 N ATOM 730 CA GLN A 495 -2.641 6.484 6.677 1.00 0.00 C ATOM 731 C GLN A 495 -2.488 4.997 6.982 1.00 0.00 C ATOM 732 O GLN A 495 -1.900 4.620 7.996 1.00 0.00 O ATOM 733 CB GLN A 495 -4.035 6.959 7.091 1.00 0.00 C ATOM 734 CG GLN A 495 -4.258 8.447 6.879 1.00 0.00 C ATOM 735 CD GLN A 495 -3.271 9.301 7.651 1.00 0.00 C ATOM 736 OE1 GLN A 495 -3.072 9.109 8.851 1.00 0.00 O ATOM 737 NE2 GLN A 495 -2.647 10.251 6.965 1.00 0.00 N ATOM 0 H GLN A 495 -3.266 6.859 4.710 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.891 7.030 7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.782 6.404 6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -4.193 6.723 8.143 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -4.176 8.675 5.816 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -5.272 8.706 7.183 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -2.843 10.375 5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.972 10.857 7.431 1.00 0.00 H new ATOM 746 N ILE A 496 -3.023 4.156 6.102 1.00 0.00 N ATOM 747 CA ILE A 496 -2.947 2.711 6.285 1.00 0.00 C ATOM 748 C ILE A 496 -1.495 2.242 6.346 1.00 0.00 C ATOM 749 O ILE A 496 -1.136 1.406 7.175 1.00 0.00 O ATOM 750 CB ILE A 496 -3.703 1.961 5.159 1.00 0.00 C ATOM 751 CG1 ILE A 496 -4.416 0.734 5.727 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.768 1.556 4.025 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.231 -0.021 4.700 1.00 0.00 C ATOM 0 H ILE A 496 -3.513 4.450 5.257 1.00 0.00 H new ATOM 0 HA ILE A 496 -3.428 2.477 7.235 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.445 2.644 4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.675 0.060 6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -5.071 1.048 6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.335 1.033 3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.310 2.447 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.990 0.898 4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.709 -0.879 5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.995 0.637 4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -4.577 -0.366 3.899 1.00 0.00 H new ATOM 765 N LEU A 497 -0.667 2.789 5.464 1.00 0.00 N ATOM 766 CA LEU A 497 0.746 2.430 5.416 1.00 0.00 C ATOM 767 C LEU A 497 1.469 2.901 6.674 1.00 0.00 C ATOM 768 O LEU A 497 2.399 2.249 7.148 1.00 0.00 O ATOM 769 CB LEU A 497 1.407 3.036 4.176 1.00 0.00 C ATOM 770 CG LEU A 497 0.880 2.512 2.839 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.656 3.124 1.683 1.00 0.00 C ATOM 772 CD2 LEU A 497 0.960 0.994 2.794 1.00 0.00 C ATOM 0 H LEU A 497 -0.949 3.483 4.772 1.00 0.00 H new ATOM 0 HA LEU A 497 0.818 1.344 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.273 4.117 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.479 2.847 4.226 1.00 0.00 H new ATOM 0 HG LEU A 497 -0.166 2.804 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.267 2.740 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 497 1.547 4.208 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.710 2.863 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.581 0.638 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 497 1.997 0.681 2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 497 0.359 0.574 3.601 1.00 0.00 H new ATOM 784 N LYS A 498 1.036 4.038 7.209 1.00 0.00 N ATOM 785 CA LYS A 498 1.643 4.597 8.412 1.00 0.00 C ATOM 786 C LYS A 498 1.536 3.621 9.579 1.00 0.00 C ATOM 787 O LYS A 498 2.513 3.376 10.287 1.00 0.00 O ATOM 788 CB LYS A 498 0.972 5.922 8.777 1.00 0.00 C ATOM 789 CG LYS A 498 1.602 6.612 9.976 1.00 0.00 C ATOM 790 CD LYS A 498 2.930 7.257 9.614 1.00 0.00 C ATOM 791 CE LYS A 498 3.520 8.017 10.791 1.00 0.00 C ATOM 792 NZ LYS A 498 4.012 7.098 11.855 1.00 0.00 N ATOM 0 H LYS A 498 0.267 4.590 6.829 1.00 0.00 H new ATOM 0 HA LYS A 498 2.699 4.776 8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 498 1.017 6.591 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 498 -0.082 5.741 8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 498 0.920 7.371 10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.755 5.887 10.776 1.00 0.00 H new ATOM 0 HD2 LYS A 498 3.631 6.489 9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 498 2.788 7.938 8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 498 4.342 8.643 10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 498 2.765 8.684 11.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 4.437 7.654 12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 3.217 6.542 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 4.726 6.456 11.456 1.00 0.00 H new ATOM 806 N ARG A 499 0.344 3.067 9.774 1.00 0.00 N ATOM 807 CA ARG A 499 0.111 2.118 10.856 1.00 0.00 C ATOM 808 C ARG A 499 0.934 0.850 10.653 1.00 0.00 C ATOM 809 O ARG A 499 1.472 0.287 11.606 1.00 0.00 O ATOM 810 CB ARG A 499 -1.376 1.767 10.944 1.00 0.00 C ATOM 811 CG ARG A 499 -2.259 2.951 11.302 1.00 0.00 C ATOM 812 CD ARG A 499 -3.708 2.528 11.488 1.00 0.00 C ATOM 813 NE ARG A 499 -4.598 3.677 11.632 1.00 0.00 N ATOM 814 CZ ARG A 499 -5.925 3.584 11.697 1.00 0.00 C ATOM 815 NH1 ARG A 499 -6.517 2.398 11.631 1.00 0.00 N ATOM 816 NH2 ARG A 499 -6.660 4.679 11.828 1.00 0.00 N ATOM 0 H ARG A 499 -0.475 3.259 9.197 1.00 0.00 H new ATOM 0 HA ARG A 499 0.422 2.586 11.790 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -1.702 1.357 9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -1.513 0.984 11.690 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -1.894 3.415 12.218 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -2.196 3.704 10.516 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -4.024 1.929 10.633 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -3.790 1.893 12.370 1.00 0.00 H new ATOM 0 HE ARG A 499 -4.179 4.605 11.686 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -5.955 1.553 11.530 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -7.534 2.332 11.681 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -6.209 5.593 11.879 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -7.676 4.608 11.878 1.00 0.00 H new ATOM 830 N LEU A 500 1.027 0.406 9.403 1.00 0.00 N ATOM 831 CA LEU A 500 1.785 -0.795 9.074 1.00 0.00 C ATOM 832 C LEU A 500 3.272 -0.592 9.343 1.00 0.00 C ATOM 833 O LEU A 500 3.967 -1.511 9.775 1.00 0.00 O ATOM 834 CB LEU A 500 1.569 -1.174 7.607 1.00 0.00 C ATOM 835 CG LEU A 500 0.136 -1.570 7.245 1.00 0.00 C ATOM 836 CD1 LEU A 500 0.046 -1.960 5.778 1.00 0.00 C ATOM 837 CD2 LEU A 500 -0.341 -2.710 8.132 1.00 0.00 C ATOM 0 H LEU A 500 0.587 0.860 8.603 1.00 0.00 H new ATOM 0 HA LEU A 500 1.426 -1.605 9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.866 -0.331 6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.232 -2.003 7.360 1.00 0.00 H new ATOM 0 HG LEU A 500 -0.513 -0.710 7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -0.980 -2.239 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 500 0.347 -1.116 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 500 0.706 -2.806 5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -1.362 -2.979 7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.310 -3.574 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.313 -2.395 9.175 1.00 0.00 H new ATOM 849 N ASN A 501 3.753 0.620 9.085 1.00 0.00 N ATOM 850 CA ASN A 501 5.159 0.949 9.299 1.00 0.00 C ATOM 851 C ASN A 501 6.067 0.004 8.512 1.00 0.00 C ATOM 852 O ASN A 501 6.969 -0.617 9.074 1.00 0.00 O ATOM 853 CB ASN A 501 5.498 0.881 10.789 1.00 0.00 C ATOM 854 CG ASN A 501 6.466 1.970 11.212 1.00 0.00 C ATOM 855 OD1 ASN A 501 7.231 2.486 10.398 1.00 0.00 O ATOM 856 ND2 ASN A 501 6.436 2.324 12.491 1.00 0.00 N ATOM 0 H ASN A 501 3.190 1.391 8.727 1.00 0.00 H new ATOM 0 HA ASN A 501 5.328 1.965 8.941 1.00 0.00 H new ATOM 0 HB2 ASN A 501 4.581 0.967 11.372 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.930 -0.094 11.017 1.00 0.00 H new ATOM 0 HD21 ASN A 501 7.064 3.051 12.834 1.00 0.00 H new ATOM 0 HD22 ASN A 501 5.785 1.869 13.131 1.00 0.00 H new ATOM 863 N PRO A 502 5.839 -0.116 7.192 1.00 0.00 N ATOM 864 CA PRO A 502 6.640 -0.989 6.329 1.00 0.00 C ATOM 865 C PRO A 502 8.053 -0.456 6.117 1.00 0.00 C ATOM 866 O PRO A 502 8.256 0.747 5.955 1.00 0.00 O ATOM 867 CB PRO A 502 5.867 -0.991 5.009 1.00 0.00 C ATOM 868 CG PRO A 502 5.126 0.301 5.003 1.00 0.00 C ATOM 869 CD PRO A 502 4.783 0.589 6.439 1.00 0.00 C ATOM 0 HA PRO A 502 6.772 -1.980 6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.541 -1.065 4.156 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.185 -1.839 4.951 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.736 1.099 4.580 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.225 0.231 4.393 1.00 0.00 H new ATOM 0 HD2 PRO A 502 4.788 1.659 6.646 1.00 0.00 H new ATOM 0 HD3 PRO A 502 3.791 0.219 6.697 1.00 0.00 H new ATOM 877 N GLU A 503 9.028 -1.360 6.119 1.00 0.00 N ATOM 878 CA GLU A 503 10.422 -0.980 5.926 1.00 0.00 C ATOM 879 C GLU A 503 10.628 -0.348 4.553 1.00 0.00 C ATOM 880 O GLU A 503 9.993 -0.744 3.576 1.00 0.00 O ATOM 881 CB GLU A 503 11.332 -2.201 6.080 1.00 0.00 C ATOM 882 CG GLU A 503 11.270 -2.834 7.460 1.00 0.00 C ATOM 883 CD GLU A 503 12.251 -3.979 7.620 1.00 0.00 C ATOM 884 OE1 GLU A 503 11.976 -5.076 7.089 1.00 0.00 O ATOM 885 OE2 GLU A 503 13.295 -3.779 8.276 1.00 0.00 O ATOM 0 H GLU A 503 8.878 -2.360 6.252 1.00 0.00 H new ATOM 0 HA GLU A 503 10.681 -0.245 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 503 11.055 -2.946 5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 503 12.360 -1.906 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 503 11.477 -2.075 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 503 10.259 -3.198 7.644 1.00 0.00 H new ATOM 892 N ARG A 504 11.519 0.636 4.487 1.00 0.00 N ATOM 893 CA ARG A 504 11.807 1.322 3.233 1.00 0.00 C ATOM 894 C ARG A 504 13.138 0.857 2.651 1.00 0.00 C ATOM 895 O ARG A 504 14.171 0.909 3.319 1.00 0.00 O ATOM 896 CB ARG A 504 11.833 2.836 3.450 1.00 0.00 C ATOM 897 CG ARG A 504 11.956 3.633 2.162 1.00 0.00 C ATOM 898 CD ARG A 504 11.900 5.129 2.426 1.00 0.00 C ATOM 899 NE ARG A 504 13.087 5.606 3.131 1.00 0.00 N ATOM 900 CZ ARG A 504 13.334 6.890 3.383 1.00 0.00 C ATOM 901 NH1 ARG A 504 12.480 7.827 2.990 1.00 0.00 N ATOM 902 NH2 ARG A 504 14.438 7.237 4.030 1.00 0.00 N ATOM 0 H ARG A 504 12.054 0.976 5.287 1.00 0.00 H new ATOM 0 HA ARG A 504 11.016 1.077 2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.922 3.136 3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 504 12.668 3.087 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.895 3.385 1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.153 3.352 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.803 5.661 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 504 11.012 5.360 3.014 1.00 0.00 H new ATOM 0 HE ARG A 504 13.767 4.915 3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 504 11.629 7.565 2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 504 12.675 8.809 3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 504 15.097 6.521 4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 504 14.628 8.220 4.223 1.00 0.00 H new ATOM 916 N LYS A 505 13.105 0.404 1.402 1.00 0.00 N ATOM 917 CA LYS A 505 14.309 -0.070 0.729 1.00 0.00 C ATOM 918 C LYS A 505 14.476 0.609 -0.626 1.00 0.00 C ATOM 919 O LYS A 505 13.502 0.827 -1.346 1.00 0.00 O ATOM 920 CB LYS A 505 14.255 -1.588 0.549 1.00 0.00 C ATOM 921 CG LYS A 505 14.224 -2.355 1.860 1.00 0.00 C ATOM 922 CD LYS A 505 14.295 -3.856 1.629 1.00 0.00 C ATOM 923 CE LYS A 505 14.133 -4.628 2.928 1.00 0.00 C ATOM 924 NZ LYS A 505 13.385 -5.900 2.730 1.00 0.00 N ATOM 0 H LYS A 505 12.258 0.355 0.836 1.00 0.00 H new ATOM 0 HA LYS A 505 15.167 0.184 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 505 13.371 -1.845 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 505 15.122 -1.908 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 505 15.060 -2.042 2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.311 -2.112 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 505 13.516 -4.154 0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 505 15.251 -4.110 1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 505 15.116 -4.846 3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 505 13.609 -4.008 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 13.296 -6.396 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 12.437 -5.691 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 13.898 -6.503 2.056 1.00 0.00 H new ATOM 938 N MET A 506 15.716 0.942 -0.968 1.00 0.00 N ATOM 939 CA MET A 506 16.009 1.597 -2.237 1.00 0.00 C ATOM 940 C MET A 506 16.487 0.586 -3.274 1.00 0.00 C ATOM 941 O MET A 506 17.576 0.024 -3.153 1.00 0.00 O ATOM 942 CB MET A 506 17.068 2.684 -2.042 1.00 0.00 C ATOM 943 CG MET A 506 16.606 3.831 -1.158 1.00 0.00 C ATOM 944 SD MET A 506 17.797 5.183 -1.096 1.00 0.00 S ATOM 945 CE MET A 506 19.228 4.344 -0.421 1.00 0.00 C ATOM 0 H MET A 506 16.534 0.769 -0.384 1.00 0.00 H new ATOM 0 HA MET A 506 15.090 2.056 -2.600 1.00 0.00 H new ATOM 0 HB2 MET A 506 17.960 2.236 -1.605 1.00 0.00 H new ATOM 0 HB3 MET A 506 17.354 3.080 -3.016 1.00 0.00 H new ATOM 0 HG2 MET A 506 15.653 4.208 -1.528 1.00 0.00 H new ATOM 0 HG3 MET A 506 16.432 3.459 -0.148 1.00 0.00 H new ATOM 0 HE1 MET A 506 19.937 5.081 -0.043 1.00 0.00 H new ATOM 0 HE2 MET A 506 18.916 3.690 0.393 1.00 0.00 H new ATOM 0 HE3 MET A 506 19.704 3.750 -1.202 1.00 0.00 H new ATOM 955 N ILE A 507 15.667 0.360 -4.295 1.00 0.00 N ATOM 956 CA ILE A 507 16.006 -0.582 -5.355 1.00 0.00 C ATOM 957 C ILE A 507 16.029 0.108 -6.714 1.00 0.00 C ATOM 958 O ILE A 507 15.036 0.700 -7.138 1.00 0.00 O ATOM 959 CB ILE A 507 15.008 -1.755 -5.405 1.00 0.00 C ATOM 960 CG1 ILE A 507 14.824 -2.356 -4.010 1.00 0.00 C ATOM 961 CG2 ILE A 507 15.485 -2.815 -6.387 1.00 0.00 C ATOM 962 CD1 ILE A 507 13.578 -1.868 -3.302 1.00 0.00 C ATOM 0 H ILE A 507 14.762 0.817 -4.411 1.00 0.00 H new ATOM 0 HA ILE A 507 16.999 -0.970 -5.129 1.00 0.00 H new ATOM 0 HB ILE A 507 14.044 -1.379 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 507 14.783 -3.442 -4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 507 15.696 -2.116 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 507 14.770 -3.637 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 507 15.569 -2.378 -7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 507 16.459 -3.191 -6.072 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.511 -2.335 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 507 13.625 -0.785 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 507 12.699 -2.132 -3.889 1.00 0.00 H new ATOM 974 N ASN A 508 17.169 0.029 -7.394 1.00 0.00 N ATOM 975 CA ASN A 508 17.322 0.647 -8.706 1.00 0.00 C ATOM 976 C ASN A 508 17.042 2.146 -8.638 1.00 0.00 C ATOM 977 O ASN A 508 16.377 2.705 -9.511 1.00 0.00 O ATOM 978 CB ASN A 508 16.382 -0.015 -9.716 1.00 0.00 C ATOM 979 CG ASN A 508 16.789 0.260 -11.151 1.00 0.00 C ATOM 980 OD1 ASN A 508 17.763 0.966 -11.408 1.00 0.00 O ATOM 981 ND2 ASN A 508 16.040 -0.299 -12.095 1.00 0.00 N ATOM 0 H ASN A 508 18.000 -0.457 -7.058 1.00 0.00 H new ATOM 0 HA ASN A 508 18.353 0.504 -9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 508 16.369 -1.091 -9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 508 15.366 0.346 -9.554 1.00 0.00 H new ATOM 0 HD21 ASN A 508 16.264 -0.150 -13.079 1.00 0.00 H new ATOM 0 HD22 ASN A 508 15.241 -0.878 -11.836 1.00 0.00 H new ATOM 988 N ASP A 509 17.554 2.791 -7.595 1.00 0.00 N ATOM 989 CA ASP A 509 17.359 4.224 -7.412 1.00 0.00 C ATOM 990 C ASP A 509 15.876 4.560 -7.293 1.00 0.00 C ATOM 991 O ASP A 509 15.434 5.626 -7.721 1.00 0.00 O ATOM 992 CB ASP A 509 17.977 4.998 -8.578 1.00 0.00 C ATOM 993 CG ASP A 509 17.996 6.495 -8.336 1.00 0.00 C ATOM 994 OD1 ASP A 509 17.788 6.912 -7.177 1.00 0.00 O ATOM 995 OD2 ASP A 509 18.219 7.250 -9.305 1.00 0.00 O ATOM 0 H ASP A 509 18.107 2.344 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 509 17.855 4.517 -6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 509 18.996 4.647 -8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.415 4.787 -9.488 1.00 0.00 H new ATOM 1000 N LYS A 510 15.113 3.642 -6.707 1.00 0.00 N ATOM 1001 CA LYS A 510 13.679 3.840 -6.531 1.00 0.00 C ATOM 1002 C LYS A 510 13.254 3.500 -5.106 1.00 0.00 C ATOM 1003 O LYS A 510 13.878 2.671 -4.443 1.00 0.00 O ATOM 1004 CB LYS A 510 12.899 2.981 -7.527 1.00 0.00 C ATOM 1005 CG LYS A 510 13.136 3.364 -8.979 1.00 0.00 C ATOM 1006 CD LYS A 510 12.368 2.458 -9.927 1.00 0.00 C ATOM 1007 CE LYS A 510 10.869 2.689 -9.826 1.00 0.00 C ATOM 1008 NZ LYS A 510 10.199 2.583 -11.151 1.00 0.00 N ATOM 0 H LYS A 510 15.464 2.755 -6.346 1.00 0.00 H new ATOM 0 HA LYS A 510 13.457 4.891 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 510 13.175 1.936 -7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.834 3.062 -7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 510 12.833 4.399 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 510 14.201 3.306 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 510 12.697 2.638 -10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 510 12.593 1.416 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 510 10.435 1.961 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 510 10.682 3.676 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 9.178 2.747 -11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 10.595 3.295 -11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 10.355 1.633 -11.544 1.00 0.00 H new ATOM 1022 N MET A 511 12.189 4.144 -4.642 1.00 0.00 N ATOM 1023 CA MET A 511 11.680 3.908 -3.295 1.00 0.00 C ATOM 1024 C MET A 511 10.572 2.860 -3.308 1.00 0.00 C ATOM 1025 O MET A 511 9.555 3.025 -3.980 1.00 0.00 O ATOM 1026 CB MET A 511 11.157 5.212 -2.690 1.00 0.00 C ATOM 1027 CG MET A 511 10.779 5.093 -1.223 1.00 0.00 C ATOM 1028 SD MET A 511 9.982 6.581 -0.588 1.00 0.00 S ATOM 1029 CE MET A 511 11.311 7.771 -0.748 1.00 0.00 C ATOM 0 H MET A 511 11.661 4.833 -5.178 1.00 0.00 H new ATOM 0 HA MET A 511 12.501 3.535 -2.683 1.00 0.00 H new ATOM 0 HB2 MET A 511 11.918 5.984 -2.799 1.00 0.00 H new ATOM 0 HB3 MET A 511 10.285 5.541 -3.256 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.109 4.243 -1.092 1.00 0.00 H new ATOM 0 HG3 MET A 511 11.674 4.887 -0.637 1.00 0.00 H new ATOM 0 HE1 MET A 511 11.068 8.667 -0.177 1.00 0.00 H new ATOM 0 HE2 MET A 511 12.236 7.337 -0.367 1.00 0.00 H new ATOM 0 HE3 MET A 511 11.439 8.034 -1.798 1.00 0.00 H new ATOM 1039 N HIS A 512 10.778 1.781 -2.559 1.00 0.00 N ATOM 1040 CA HIS A 512 9.797 0.704 -2.484 1.00 0.00 C ATOM 1041 C HIS A 512 9.525 0.317 -1.034 1.00 0.00 C ATOM 1042 O HIS A 512 10.388 0.464 -0.169 1.00 0.00 O ATOM 1043 CB HIS A 512 10.286 -0.516 -3.265 1.00 0.00 C ATOM 1044 CG HIS A 512 10.325 -0.304 -4.746 1.00 0.00 C ATOM 1045 ND1 HIS A 512 9.350 -0.399 -5.682 1.00 0.00 N flip ATOM 1046 CD2 HIS A 512 11.472 0.049 -5.426 1.00 0.00 C flip ATOM 1047 CE1 HIS A 512 9.921 -0.105 -6.895 1.00 0.00 C flip ATOM 1048 NE2 HIS A 512 11.201 0.162 -6.715 1.00 0.00 N flip ATOM 0 H HIS A 512 11.615 1.629 -1.996 1.00 0.00 H new ATOM 0 HA HIS A 512 8.868 1.062 -2.927 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.284 -0.782 -2.918 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.636 -1.362 -3.045 1.00 0.00 H new ATOM 0 HD1 HIS A 512 8.374 -0.643 -5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 512 12.441 0.208 -4.976 1.00 0.00 H new ATOM 0 HE1 HIS A 512 9.406 -0.094 -7.844 1.00 0.00 H new ATOM 1057 N PHE A 513 8.320 -0.182 -0.776 1.00 0.00 N ATOM 1058 CA PHE A 513 7.936 -0.594 0.569 1.00 0.00 C ATOM 1059 C PHE A 513 7.925 -2.114 0.688 1.00 0.00 C ATOM 1060 O PHE A 513 7.294 -2.804 -0.113 1.00 0.00 O ATOM 1061 CB PHE A 513 6.557 -0.034 0.924 1.00 0.00 C ATOM 1062 CG PHE A 513 6.502 1.467 0.930 1.00 0.00 C ATOM 1063 CD1 PHE A 513 6.865 2.182 2.060 1.00 0.00 C ATOM 1064 CD2 PHE A 513 6.086 2.163 -0.194 1.00 0.00 C ATOM 1065 CE1 PHE A 513 6.815 3.564 2.068 1.00 0.00 C ATOM 1066 CE2 PHE A 513 6.034 3.544 -0.191 1.00 0.00 C ATOM 1067 CZ PHE A 513 6.399 4.245 0.941 1.00 0.00 C ATOM 0 H PHE A 513 7.593 -0.311 -1.480 1.00 0.00 H new ATOM 0 HA PHE A 513 8.672 -0.196 1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.825 -0.413 0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.266 -0.404 1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.191 1.654 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 513 5.799 1.620 -1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.101 4.110 2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.708 4.074 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.359 5.324 0.945 1.00 0.00 H new ATOM 1077 N SER A 514 8.628 -2.631 1.690 1.00 0.00 N ATOM 1078 CA SER A 514 8.699 -4.071 1.910 1.00 0.00 C ATOM 1079 C SER A 514 8.545 -4.405 3.390 1.00 0.00 C ATOM 1080 O SER A 514 9.096 -3.720 4.252 1.00 0.00 O ATOM 1081 CB SER A 514 10.026 -4.623 1.386 1.00 0.00 C ATOM 1082 OG SER A 514 10.065 -6.036 1.484 1.00 0.00 O ATOM 0 H SER A 514 9.156 -2.075 2.362 1.00 0.00 H new ATOM 0 HA SER A 514 7.878 -4.537 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 514 10.163 -4.324 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.852 -4.193 1.953 1.00 0.00 H new ATOM 0 HG SER A 514 10.922 -6.364 1.141 1.00 0.00 H new ATOM 1088 N LEU A 515 7.794 -5.463 3.677 1.00 0.00 N ATOM 1089 CA LEU A 515 7.568 -5.890 5.053 1.00 0.00 C ATOM 1090 C LEU A 515 8.004 -7.338 5.252 1.00 0.00 C ATOM 1091 O LEU A 515 7.734 -8.199 4.413 1.00 0.00 O ATOM 1092 CB LEU A 515 6.091 -5.735 5.421 1.00 0.00 C ATOM 1093 CG LEU A 515 5.707 -4.369 5.991 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.225 -4.100 5.779 1.00 0.00 C ATOM 1095 CD2 LEU A 515 6.059 -4.293 7.469 1.00 0.00 C ATOM 0 H LEU A 515 7.331 -6.041 2.975 1.00 0.00 H new ATOM 0 HA LEU A 515 8.167 -5.256 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.489 -5.923 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 515 5.831 -6.502 6.150 1.00 0.00 H new ATOM 0 HG LEU A 515 6.273 -3.602 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 515 3.970 -3.124 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 515 4.002 -4.113 4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.640 -4.870 6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 515 5.779 -3.315 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 515 5.519 -5.068 8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 515 7.131 -4.441 7.596 1.00 0.00 H new ATOM 1107 N LYS A 516 8.678 -7.600 6.367 1.00 0.00 N ATOM 1108 CA LYS A 516 9.150 -8.945 6.676 1.00 0.00 C ATOM 1109 C LYS A 516 8.490 -9.474 7.945 1.00 0.00 C ATOM 1110 O LYS A 516 8.920 -9.165 9.056 1.00 0.00 O ATOM 1111 CB LYS A 516 10.671 -8.950 6.839 1.00 0.00 C ATOM 1112 CG LYS A 516 11.260 -10.340 7.012 1.00 0.00 C ATOM 1113 CD LYS A 516 11.279 -11.104 5.699 1.00 0.00 C ATOM 1114 CE LYS A 516 11.846 -12.504 5.876 1.00 0.00 C ATOM 1115 NZ LYS A 516 13.273 -12.475 6.299 1.00 0.00 N ATOM 0 H LYS A 516 8.910 -6.899 7.071 1.00 0.00 H new ATOM 0 HA LYS A 516 8.878 -9.598 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 516 11.123 -8.479 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 516 10.937 -8.342 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 516 12.275 -10.260 7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 516 10.678 -10.894 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 516 10.267 -11.168 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 516 11.876 -10.558 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.258 -13.043 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 516 11.756 -13.053 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 13.680 -13.428 6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 13.802 -11.817 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.336 -12.160 7.288 1.00 0.00 H new ATOM 1129 N GLU A 517 7.442 -10.273 7.772 1.00 0.00 N ATOM 1130 CA GLU A 517 6.722 -10.846 8.903 1.00 0.00 C ATOM 1131 C GLU A 517 7.645 -11.710 9.756 1.00 0.00 C ATOM 1132 O GLU A 517 8.528 -12.380 9.178 1.00 0.00 O ATOM 1133 CB GLU A 517 5.535 -11.677 8.410 1.00 0.00 C ATOM 1134 CG GLU A 517 4.276 -11.492 9.240 1.00 0.00 C ATOM 1135 CD GLU A 517 4.391 -12.106 10.621 1.00 0.00 C ATOM 1136 OE1 GLU A 517 5.300 -12.937 10.828 1.00 0.00 O ATOM 1137 OE2 GLU A 517 3.571 -11.756 11.497 1.00 0.00 O ATOM 1138 OXT GLU A 517 7.479 -11.710 10.993 1.00 0.00 O ATOM 0 H GLU A 517 7.073 -10.538 6.859 1.00 0.00 H new ATOM 0 HA GLU A 517 6.352 -10.026 9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 517 5.320 -11.410 7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 517 5.813 -12.731 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 517 4.063 -10.427 9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 517 3.431 -11.940 8.717 1.00 0.00 H new