USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 NoAdj-H: A 569 HIS HD1 : A 569 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD NoAdj-H: A 572 HIS HD1 : A 572 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 598 ASN : amide:sc= -0.0236 X(o=-0.05,f=-0.094) USER MOD Set 1.2: A 602 LYS NZ :NH3+ -170:sc= -0.026 (180deg=0) USER MOD Single : A 541 TYR OH : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2) USER MOD Single : A 547 SER OG : rot 52:sc= -0.0605 USER MOD Single : A 550 SER OG : rot -60:sc= -0.253 USER MOD Single : A 553 GLN : amide:sc= -5.13! K(o=-5.1!,f=-2.1) USER MOD Single : A 554 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 THR OG1 : rot 51:sc= 0.494 USER MOD Single : A 560 CYS SG : rot 19:sc= 0.877 USER MOD Single : A 562 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 MET CE :methyl 172:sc=-0.00775 (180deg=-0.104) USER MOD Single : A 566 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.358) USER MOD Single : A 567 LYS NZ :NH3+ -110:sc= -0.0778 (180deg=-2.08!) USER MOD Single : A 580 LYS NZ :NH3+ 157:sc= -0.0189 (180deg=-0.197) USER MOD Single : A 581 GLN : amide:sc= -0.605 K(o=-0.61,f=0) USER MOD Single : A 583 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.1) USER MOD Single : A 584 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.381) USER MOD Single : A 586 THR OG1 : rot 180:sc= 0 USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 590 GLN : amide:sc= -2.88 K(o=-2.9,f=-0.63) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 593 LYS NZ :NH3+ 167:sc= 1.19 (180deg=0.805) USER MOD Single : A 595 TYR OH : rot 30:sc= 0 USER MOD Single : A 597 GLN : amide:sc= -4.17! C(o=-4.2!,f=-2!) USER MOD Single : A 605 CYS SG : rot 180:sc= -0.0842 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 541 36.725 -0.764 -9.765 1.00 0.00 N ATOM 2 CA TYR A 541 36.486 -0.647 -11.231 1.00 0.00 C ATOM 3 C TYR A 541 37.810 -0.834 -11.978 1.00 0.00 C ATOM 4 O TYR A 541 38.566 0.102 -12.160 1.00 0.00 O ATOM 5 CB TYR A 541 35.911 0.737 -11.546 1.00 0.00 C ATOM 6 CG TYR A 541 34.590 0.913 -10.834 1.00 0.00 C ATOM 7 CD1 TYR A 541 34.528 1.648 -9.643 1.00 0.00 C ATOM 8 CD2 TYR A 541 33.427 0.341 -11.364 1.00 0.00 C ATOM 9 CE1 TYR A 541 33.304 1.810 -8.984 1.00 0.00 C ATOM 10 CE2 TYR A 541 32.203 0.503 -10.704 1.00 0.00 C ATOM 11 CZ TYR A 541 32.142 1.238 -9.514 1.00 0.00 C ATOM 12 OH TYR A 541 30.936 1.398 -8.864 1.00 0.00 O ATOM 0 HA TYR A 541 35.778 -1.413 -11.548 1.00 0.00 H new ATOM 0 HB2 TYR A 541 36.610 1.512 -11.232 1.00 0.00 H new ATOM 0 HB3 TYR A 541 35.773 0.848 -12.622 1.00 0.00 H new ATOM 0 HD1 TYR A 541 35.425 2.090 -9.233 1.00 0.00 H new ATOM 0 HD2 TYR A 541 33.474 -0.225 -12.282 1.00 0.00 H new ATOM 0 HE1 TYR A 541 33.256 2.377 -8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 541 31.306 0.061 -11.113 1.00 0.00 H new ATOM 0 HH TYR A 541 30.230 0.939 -9.366 1.00 0.00 H new ATOM 22 N HIS A 542 38.090 -2.037 -12.415 1.00 0.00 N ATOM 23 CA HIS A 542 39.360 -2.306 -13.157 1.00 0.00 C ATOM 24 C HIS A 542 40.546 -1.701 -12.394 1.00 0.00 C ATOM 25 O HIS A 542 40.492 -1.515 -11.193 1.00 0.00 O ATOM 26 CB HIS A 542 39.282 -1.701 -14.569 1.00 0.00 C ATOM 27 CG HIS A 542 37.871 -1.274 -14.879 1.00 0.00 C ATOM 28 ND1 HIS A 542 37.481 0.056 -14.861 1.00 0.00 N ATOM 29 CD2 HIS A 542 36.748 -1.989 -15.216 1.00 0.00 C ATOM 30 CE1 HIS A 542 36.174 0.100 -15.177 1.00 0.00 C ATOM 31 NE2 HIS A 542 35.677 -1.119 -15.403 1.00 0.00 N ATOM 0 H HIS A 542 37.488 -2.851 -12.288 1.00 0.00 H new ATOM 0 HA HIS A 542 39.502 -3.383 -13.241 1.00 0.00 H new ATOM 0 HB2 HIS A 542 39.952 -0.845 -14.642 1.00 0.00 H new ATOM 0 HB3 HIS A 542 39.617 -2.432 -15.304 1.00 0.00 H new ATOM 0 HD2 HIS A 542 36.702 -3.063 -15.320 1.00 0.00 H new ATOM 0 HE1 HIS A 542 35.597 1.011 -15.240 1.00 0.00 H new ATOM 0 HE2 HIS A 542 34.719 -1.361 -15.658 1.00 0.00 H new ATOM 39 N GLU A 543 41.616 -1.394 -13.081 1.00 0.00 N ATOM 40 CA GLU A 543 42.802 -0.801 -12.397 1.00 0.00 C ATOM 41 C GLU A 543 42.453 0.606 -11.908 1.00 0.00 C ATOM 42 O GLU A 543 42.721 0.963 -10.777 1.00 0.00 O ATOM 43 CB GLU A 543 43.973 -0.722 -13.381 1.00 0.00 C ATOM 44 CG GLU A 543 44.436 -2.136 -13.745 1.00 0.00 C ATOM 45 CD GLU A 543 45.299 -2.082 -15.009 1.00 0.00 C ATOM 46 OE1 GLU A 543 44.737 -2.152 -16.090 1.00 0.00 O ATOM 47 OE2 GLU A 543 46.506 -1.970 -14.874 1.00 0.00 O ATOM 0 H GLU A 543 41.719 -1.529 -14.087 1.00 0.00 H new ATOM 0 HA GLU A 543 43.083 -1.424 -11.548 1.00 0.00 H new ATOM 0 HB2 GLU A 543 43.670 -0.185 -14.280 1.00 0.00 H new ATOM 0 HB3 GLU A 543 44.796 -0.162 -12.938 1.00 0.00 H new ATOM 0 HG2 GLU A 543 45.005 -2.567 -12.921 1.00 0.00 H new ATOM 0 HG3 GLU A 543 43.573 -2.782 -13.908 1.00 0.00 H new ATOM 54 N ARG A 544 41.855 1.403 -12.759 1.00 0.00 N ATOM 55 CA ARG A 544 41.475 2.796 -12.372 1.00 0.00 C ATOM 56 C ARG A 544 42.740 3.619 -12.101 1.00 0.00 C ATOM 57 O ARG A 544 43.130 4.450 -12.898 1.00 0.00 O ATOM 58 CB ARG A 544 40.591 2.767 -11.117 1.00 0.00 C ATOM 59 CG ARG A 544 39.637 3.967 -11.129 1.00 0.00 C ATOM 60 CD ARG A 544 38.399 3.626 -11.961 1.00 0.00 C ATOM 61 NE ARG A 544 37.172 4.028 -11.212 1.00 0.00 N ATOM 62 CZ ARG A 544 36.015 4.084 -11.818 1.00 0.00 C ATOM 63 NH1 ARG A 544 34.952 4.448 -11.157 1.00 0.00 N ATOM 64 NH2 ARG A 544 35.920 3.771 -13.082 1.00 0.00 N ATOM 0 H ARG A 544 41.612 1.144 -13.715 1.00 0.00 H new ATOM 0 HA ARG A 544 40.916 3.255 -13.188 1.00 0.00 H new ATOM 0 HB2 ARG A 544 40.022 1.838 -11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 544 41.213 2.793 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 544 39.345 4.223 -10.111 1.00 0.00 H new ATOM 0 HG3 ARG A 544 40.139 4.840 -11.546 1.00 0.00 H new ATOM 0 HD2 ARG A 544 38.438 4.142 -12.920 1.00 0.00 H new ATOM 0 HD3 ARG A 544 38.374 2.557 -12.175 1.00 0.00 H new ATOM 0 HE ARG A 544 37.237 4.261 -10.221 1.00 0.00 H new ATOM 0 HH11 ARG A 544 35.024 4.689 -10.168 1.00 0.00 H new ATOM 0 HH12 ARG A 544 34.049 4.492 -11.628 1.00 0.00 H new ATOM 0 HH21 ARG A 544 36.750 3.482 -13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 544 35.016 3.816 -13.552 1.00 0.00 H new ATOM 78 N ARG A 545 43.380 3.392 -10.984 1.00 0.00 N ATOM 79 CA ARG A 545 44.619 4.153 -10.651 1.00 0.00 C ATOM 80 C ARG A 545 45.772 3.171 -10.448 1.00 0.00 C ATOM 81 O ARG A 545 46.776 3.228 -11.131 1.00 0.00 O ATOM 82 CB ARG A 545 44.398 4.951 -9.366 1.00 0.00 C ATOM 83 CG ARG A 545 42.977 5.512 -9.358 1.00 0.00 C ATOM 84 CD ARG A 545 42.883 6.627 -8.318 1.00 0.00 C ATOM 85 NE ARG A 545 41.443 6.931 -8.021 1.00 0.00 N ATOM 86 CZ ARG A 545 40.581 7.174 -8.977 1.00 0.00 C ATOM 87 NH1 ARG A 545 39.318 7.310 -8.685 1.00 0.00 N ATOM 88 NH2 ARG A 545 40.979 7.332 -10.209 1.00 0.00 N ATOM 0 H ARG A 545 43.095 2.707 -10.284 1.00 0.00 H new ATOM 0 HA ARG A 545 44.858 4.837 -11.465 1.00 0.00 H new ATOM 0 HB2 ARG A 545 44.554 4.313 -8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 545 45.122 5.763 -9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 545 42.719 5.896 -10.345 1.00 0.00 H new ATOM 0 HG3 ARG A 545 42.263 4.722 -9.127 1.00 0.00 H new ATOM 0 HD2 ARG A 545 43.396 6.328 -7.404 1.00 0.00 H new ATOM 0 HD3 ARG A 545 43.384 7.522 -8.686 1.00 0.00 H new ATOM 0 HE ARG A 545 41.128 6.949 -7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 545 39.006 7.227 -7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 545 38.641 7.499 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 545 41.971 7.267 -10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 545 40.298 7.521 -10.945 1.00 0.00 H new ATOM 102 N GLY A 546 45.630 2.272 -9.510 1.00 0.00 N ATOM 103 CA GLY A 546 46.709 1.278 -9.246 1.00 0.00 C ATOM 104 C GLY A 546 47.157 1.389 -7.788 1.00 0.00 C ATOM 105 O GLY A 546 46.606 0.758 -6.907 1.00 0.00 O ATOM 0 H GLY A 546 44.808 2.184 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 546 46.348 0.270 -9.451 1.00 0.00 H new ATOM 0 HA3 GLY A 546 47.553 1.456 -9.912 1.00 0.00 H new ATOM 109 N SER A 547 48.155 2.192 -7.530 1.00 0.00 N ATOM 110 CA SER A 547 48.652 2.359 -6.133 1.00 0.00 C ATOM 111 C SER A 547 49.608 3.551 -6.088 1.00 0.00 C ATOM 112 O SER A 547 50.616 3.570 -6.764 1.00 0.00 O ATOM 113 CB SER A 547 49.391 1.092 -5.695 1.00 0.00 C ATOM 114 OG SER A 547 48.623 0.421 -4.705 1.00 0.00 O ATOM 0 H SER A 547 48.650 2.743 -8.231 1.00 0.00 H new ATOM 0 HA SER A 547 47.812 2.532 -5.460 1.00 0.00 H new ATOM 0 HB2 SER A 547 49.554 0.437 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 547 50.373 1.348 -5.298 1.00 0.00 H new ATOM 0 HG SER A 547 47.706 0.299 -5.029 1.00 0.00 H new ATOM 120 N LEU A 548 49.297 4.550 -5.306 1.00 0.00 N ATOM 121 CA LEU A 548 50.188 5.743 -5.233 1.00 0.00 C ATOM 122 C LEU A 548 51.489 5.379 -4.520 1.00 0.00 C ATOM 123 O LEU A 548 51.489 4.708 -3.507 1.00 0.00 O ATOM 124 CB LEU A 548 49.490 6.869 -4.463 1.00 0.00 C ATOM 125 CG LEU A 548 48.616 7.692 -5.418 1.00 0.00 C ATOM 126 CD1 LEU A 548 47.634 6.775 -6.150 1.00 0.00 C ATOM 127 CD2 LEU A 548 47.835 8.739 -4.619 1.00 0.00 C ATOM 0 H LEU A 548 48.466 4.591 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 548 50.410 6.077 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 548 48.877 6.450 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 548 50.232 7.512 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 548 49.255 8.188 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 548 47.017 7.368 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 548 48.188 6.031 -6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 548 46.996 6.272 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 548 47.214 9.325 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 548 47.202 8.239 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 548 48.533 9.400 -4.105 1.00 0.00 H new ATOM 139 N CYS A 549 52.595 5.838 -5.036 1.00 0.00 N ATOM 140 CA CYS A 549 53.902 5.551 -4.392 1.00 0.00 C ATOM 141 C CYS A 549 54.050 6.487 -3.208 1.00 0.00 C ATOM 142 O CYS A 549 54.186 7.683 -3.375 1.00 0.00 O ATOM 143 CB CYS A 549 55.032 5.801 -5.399 1.00 0.00 C ATOM 144 SG CYS A 549 56.498 6.476 -4.560 1.00 0.00 S ATOM 0 H CYS A 549 52.647 6.404 -5.883 1.00 0.00 H new ATOM 0 HA CYS A 549 53.951 4.513 -4.062 1.00 0.00 H new ATOM 0 HB2 CYS A 549 55.291 4.869 -5.902 1.00 0.00 H new ATOM 0 HB3 CYS A 549 54.694 6.496 -6.168 1.00 0.00 H new ATOM 149 N SER A 550 54.012 5.966 -2.015 1.00 0.00 N ATOM 150 CA SER A 550 54.147 6.852 -0.832 1.00 0.00 C ATOM 151 C SER A 550 55.389 7.714 -1.035 1.00 0.00 C ATOM 152 O SER A 550 56.503 7.230 -1.074 1.00 0.00 O ATOM 153 CB SER A 550 54.278 6.021 0.440 1.00 0.00 C ATOM 154 OG SER A 550 53.136 5.188 0.575 1.00 0.00 O ATOM 0 H SER A 550 53.894 4.974 -1.810 1.00 0.00 H new ATOM 0 HA SER A 550 53.264 7.482 -0.727 1.00 0.00 H new ATOM 0 HB2 SER A 550 55.183 5.414 0.400 1.00 0.00 H new ATOM 0 HB3 SER A 550 54.370 6.675 1.307 1.00 0.00 H new ATOM 0 HG SER A 550 52.330 5.744 0.629 1.00 0.00 H new ATOM 160 N GLY A 551 55.187 8.983 -1.217 1.00 0.00 N ATOM 161 CA GLY A 551 56.324 9.907 -1.483 1.00 0.00 C ATOM 162 C GLY A 551 56.057 10.594 -2.822 1.00 0.00 C ATOM 163 O GLY A 551 56.447 11.723 -3.047 1.00 0.00 O ATOM 0 H GLY A 551 54.270 9.429 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 551 56.413 10.644 -0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 551 57.265 9.357 -1.515 1.00 0.00 H new ATOM 167 N CYS A 552 55.376 9.906 -3.708 1.00 0.00 N ATOM 168 CA CYS A 552 55.047 10.485 -5.042 1.00 0.00 C ATOM 169 C CYS A 552 53.563 10.839 -5.088 1.00 0.00 C ATOM 170 O CYS A 552 53.152 11.725 -5.811 1.00 0.00 O ATOM 171 CB CYS A 552 55.329 9.447 -6.129 1.00 0.00 C ATOM 172 SG CYS A 552 57.010 9.660 -6.749 1.00 0.00 S ATOM 0 H CYS A 552 55.032 8.958 -3.558 1.00 0.00 H new ATOM 0 HA CYS A 552 55.652 11.376 -5.206 1.00 0.00 H new ATOM 0 HB2 CYS A 552 55.204 8.442 -5.727 1.00 0.00 H new ATOM 0 HB3 CYS A 552 54.614 9.556 -6.944 1.00 0.00 H new ATOM 177 N GLN A 553 52.755 10.135 -4.334 1.00 0.00 N ATOM 178 CA GLN A 553 51.287 10.402 -4.338 1.00 0.00 C ATOM 179 C GLN A 553 50.756 10.232 -5.765 1.00 0.00 C ATOM 180 O GLN A 553 49.781 10.841 -6.160 1.00 0.00 O ATOM 181 CB GLN A 553 51.012 11.824 -3.836 1.00 0.00 C ATOM 182 CG GLN A 553 51.342 11.912 -2.342 1.00 0.00 C ATOM 183 CD GLN A 553 52.858 11.990 -2.146 1.00 0.00 C ATOM 184 OE1 GLN A 553 53.535 12.736 -2.824 1.00 0.00 O ATOM 185 NE2 GLN A 553 53.423 11.246 -1.236 1.00 0.00 N ATOM 0 H GLN A 553 53.053 9.383 -3.713 1.00 0.00 H new ATOM 0 HA GLN A 553 50.782 9.699 -3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 553 51.613 12.541 -4.395 1.00 0.00 H new ATOM 0 HB3 GLN A 553 49.967 12.085 -4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 553 50.865 12.790 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 553 50.944 11.041 -1.821 1.00 0.00 H new ATOM 0 HE21 GLN A 553 52.856 10.619 -0.666 1.00 0.00 H new ATOM 0 HE22 GLN A 553 54.432 11.291 -1.095 1.00 0.00 H new ATOM 194 N LYS A 554 51.397 9.388 -6.531 1.00 0.00 N ATOM 195 CA LYS A 554 50.960 9.135 -7.933 1.00 0.00 C ATOM 196 C LYS A 554 50.958 7.623 -8.161 1.00 0.00 C ATOM 197 O LYS A 554 51.833 6.927 -7.681 1.00 0.00 O ATOM 198 CB LYS A 554 51.938 9.798 -8.910 1.00 0.00 C ATOM 199 CG LYS A 554 51.823 11.323 -8.810 1.00 0.00 C ATOM 200 CD LYS A 554 50.450 11.773 -9.319 1.00 0.00 C ATOM 201 CE LYS A 554 50.502 13.255 -9.698 1.00 0.00 C ATOM 202 NZ LYS A 554 49.146 13.707 -10.122 1.00 0.00 N ATOM 0 H LYS A 554 52.217 8.856 -6.238 1.00 0.00 H new ATOM 0 HA LYS A 554 49.965 9.549 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 554 52.958 9.486 -8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 554 51.723 9.475 -9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 554 51.960 11.640 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 554 52.611 11.796 -9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 554 50.158 11.176 -10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 554 49.695 11.610 -8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 554 50.845 13.847 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 554 51.218 13.410 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 554 49.181 14.714 -10.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 554 48.835 13.150 -10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 554 48.475 13.573 -9.339 1.00 0.00 H new ATOM 216 N PRO A 555 49.981 7.109 -8.870 1.00 0.00 N ATOM 217 CA PRO A 555 49.890 5.648 -9.123 1.00 0.00 C ATOM 218 C PRO A 555 51.213 5.017 -9.547 1.00 0.00 C ATOM 219 O PRO A 555 52.081 5.660 -10.106 1.00 0.00 O ATOM 220 CB PRO A 555 48.866 5.570 -10.246 1.00 0.00 C ATOM 221 CG PRO A 555 48.123 6.910 -10.306 1.00 0.00 C ATOM 222 CD PRO A 555 48.902 7.938 -9.473 1.00 0.00 C ATOM 0 HA PRO A 555 49.618 5.096 -8.223 1.00 0.00 H new ATOM 0 HB2 PRO A 555 49.358 5.365 -11.197 1.00 0.00 H new ATOM 0 HB3 PRO A 555 48.166 4.754 -10.067 1.00 0.00 H new ATOM 0 HG2 PRO A 555 48.035 7.248 -11.338 1.00 0.00 H new ATOM 0 HG3 PRO A 555 47.110 6.799 -9.919 1.00 0.00 H new ATOM 0 HD2 PRO A 555 49.304 8.741 -10.091 1.00 0.00 H new ATOM 0 HD3 PRO A 555 48.275 8.404 -8.713 1.00 0.00 H new ATOM 230 N ILE A 556 51.359 3.755 -9.271 1.00 0.00 N ATOM 231 CA ILE A 556 52.606 3.035 -9.628 1.00 0.00 C ATOM 232 C ILE A 556 52.324 2.119 -10.823 1.00 0.00 C ATOM 233 O ILE A 556 51.847 1.011 -10.673 1.00 0.00 O ATOM 234 CB ILE A 556 53.047 2.214 -8.414 1.00 0.00 C ATOM 235 CG1 ILE A 556 53.480 3.171 -7.292 1.00 0.00 C ATOM 236 CG2 ILE A 556 54.217 1.305 -8.799 1.00 0.00 C ATOM 237 CD1 ILE A 556 53.358 2.477 -5.931 1.00 0.00 C ATOM 0 H ILE A 556 50.654 3.183 -8.805 1.00 0.00 H new ATOM 0 HA ILE A 556 53.398 3.733 -9.901 1.00 0.00 H new ATOM 0 HB ILE A 556 52.218 1.596 -8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 556 54.509 3.492 -7.454 1.00 0.00 H new ATOM 0 HG13 ILE A 556 52.860 4.067 -7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 556 54.527 0.723 -7.931 1.00 0.00 H new ATOM 0 HG22 ILE A 556 53.906 0.630 -9.596 1.00 0.00 H new ATOM 0 HG23 ILE A 556 55.053 1.914 -9.144 1.00 0.00 H new ATOM 0 HD11 ILE A 556 53.667 3.164 -5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 556 52.323 2.178 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 556 53.997 1.594 -5.914 1.00 0.00 H new ATOM 249 N THR A 557 52.606 2.586 -12.012 1.00 0.00 N ATOM 250 CA THR A 557 52.346 1.761 -13.227 1.00 0.00 C ATOM 251 C THR A 557 53.483 0.754 -13.423 1.00 0.00 C ATOM 252 O THR A 557 54.526 1.072 -13.961 1.00 0.00 O ATOM 253 CB THR A 557 52.246 2.677 -14.450 1.00 0.00 C ATOM 254 OG1 THR A 557 53.374 3.541 -14.487 1.00 0.00 O ATOM 255 CG2 THR A 557 50.964 3.511 -14.362 1.00 0.00 C ATOM 0 H THR A 557 53.006 3.506 -12.193 1.00 0.00 H new ATOM 0 HA THR A 557 51.409 1.218 -13.104 1.00 0.00 H new ATOM 0 HB THR A 557 52.222 2.072 -15.356 1.00 0.00 H new ATOM 0 HG1 THR A 557 54.194 3.012 -14.399 1.00 0.00 H new ATOM 0 HG21 THR A 557 50.893 4.163 -15.233 1.00 0.00 H new ATOM 0 HG22 THR A 557 50.100 2.848 -14.334 1.00 0.00 H new ATOM 0 HG23 THR A 557 50.986 4.117 -13.456 1.00 0.00 H new ATOM 263 N GLY A 558 53.282 -0.459 -12.979 1.00 0.00 N ATOM 264 CA GLY A 558 54.330 -1.510 -13.116 1.00 0.00 C ATOM 265 C GLY A 558 54.496 -2.201 -11.766 1.00 0.00 C ATOM 266 O GLY A 558 53.566 -2.275 -10.985 1.00 0.00 O ATOM 0 H GLY A 558 52.425 -0.769 -12.522 1.00 0.00 H new ATOM 0 HA2 GLY A 558 54.045 -2.233 -13.880 1.00 0.00 H new ATOM 0 HA3 GLY A 558 55.273 -1.066 -13.434 1.00 0.00 H new ATOM 270 N ARG A 559 55.669 -2.692 -11.469 1.00 0.00 N ATOM 271 CA ARG A 559 55.878 -3.354 -10.153 1.00 0.00 C ATOM 272 C ARG A 559 55.614 -2.329 -9.053 1.00 0.00 C ATOM 273 O ARG A 559 55.640 -1.138 -9.291 1.00 0.00 O ATOM 274 CB ARG A 559 57.319 -3.862 -10.056 1.00 0.00 C ATOM 275 CG ARG A 559 57.428 -5.233 -10.732 1.00 0.00 C ATOM 276 CD ARG A 559 57.443 -6.334 -9.668 1.00 0.00 C ATOM 277 NE ARG A 559 57.357 -7.666 -10.336 1.00 0.00 N ATOM 278 CZ ARG A 559 57.636 -8.757 -9.673 1.00 0.00 C ATOM 279 NH1 ARG A 559 57.562 -9.914 -10.268 1.00 0.00 N ATOM 280 NH2 ARG A 559 57.988 -8.694 -8.418 1.00 0.00 N ATOM 0 H ARG A 559 56.487 -2.663 -12.078 1.00 0.00 H new ATOM 0 HA ARG A 559 55.200 -4.201 -10.044 1.00 0.00 H new ATOM 0 HB2 ARG A 559 57.997 -3.155 -10.534 1.00 0.00 H new ATOM 0 HB3 ARG A 559 57.620 -3.936 -9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 559 56.589 -5.382 -11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 559 58.336 -5.282 -11.332 1.00 0.00 H new ATOM 0 HD2 ARG A 559 58.355 -6.270 -9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 559 56.606 -6.204 -8.982 1.00 0.00 H new ATOM 0 HE ARG A 559 57.079 -7.725 -11.316 1.00 0.00 H new ATOM 0 HH11 ARG A 559 57.287 -9.966 -11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 559 57.779 -10.767 -9.753 1.00 0.00 H new ATOM 0 HH21 ARG A 559 58.046 -7.790 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 559 58.205 -9.549 -7.906 1.00 0.00 H new ATOM 294 N CYS A 560 55.349 -2.771 -7.856 1.00 0.00 N ATOM 295 CA CYS A 560 55.076 -1.802 -6.760 1.00 0.00 C ATOM 296 C CYS A 560 55.402 -2.431 -5.409 1.00 0.00 C ATOM 297 O CYS A 560 55.082 -3.574 -5.147 1.00 0.00 O ATOM 298 CB CYS A 560 53.600 -1.398 -6.795 1.00 0.00 C ATOM 299 SG CYS A 560 52.572 -2.804 -6.300 1.00 0.00 S ATOM 0 H CYS A 560 55.310 -3.755 -7.590 1.00 0.00 H new ATOM 0 HA CYS A 560 55.701 -0.920 -6.899 1.00 0.00 H new ATOM 0 HB2 CYS A 560 53.427 -0.555 -6.126 1.00 0.00 H new ATOM 0 HB3 CYS A 560 53.326 -1.070 -7.798 1.00 0.00 H new ATOM 0 HG CYS A 560 53.300 -3.669 -5.658 1.00 0.00 H new ATOM 305 N ILE A 561 56.037 -1.682 -4.552 1.00 0.00 N ATOM 306 CA ILE A 561 56.392 -2.214 -3.207 1.00 0.00 C ATOM 307 C ILE A 561 55.273 -1.879 -2.222 1.00 0.00 C ATOM 308 O ILE A 561 54.607 -0.871 -2.348 1.00 0.00 O ATOM 309 CB ILE A 561 57.696 -1.570 -2.725 1.00 0.00 C ATOM 310 CG1 ILE A 561 58.657 -1.383 -3.910 1.00 0.00 C ATOM 311 CG2 ILE A 561 58.346 -2.466 -1.667 1.00 0.00 C ATOM 312 CD1 ILE A 561 59.028 -2.744 -4.509 1.00 0.00 C ATOM 0 H ILE A 561 56.327 -0.720 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 561 56.522 -3.295 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 561 57.477 -0.595 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 561 58.191 -0.757 -4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 561 59.557 -0.865 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 561 59.274 -2.009 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 561 57.666 -2.585 -0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 561 58.561 -3.443 -2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 561 59.709 -2.599 -5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 561 59.514 -3.356 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 561 58.126 -3.246 -4.857 1.00 0.00 H new ATOM 324 N THR A 562 55.073 -2.713 -1.237 1.00 0.00 N ATOM 325 CA THR A 562 54.008 -2.448 -0.229 1.00 0.00 C ATOM 326 C THR A 562 54.623 -2.530 1.166 1.00 0.00 C ATOM 327 O THR A 562 54.929 -3.599 1.660 1.00 0.00 O ATOM 328 CB THR A 562 52.893 -3.489 -0.362 1.00 0.00 C ATOM 329 OG1 THR A 562 52.300 -3.381 -1.649 1.00 0.00 O ATOM 330 CG2 THR A 562 51.830 -3.247 0.714 1.00 0.00 C ATOM 0 H THR A 562 55.605 -3.571 -1.087 1.00 0.00 H new ATOM 0 HA THR A 562 53.585 -1.457 -0.393 1.00 0.00 H new ATOM 0 HB THR A 562 53.312 -4.487 -0.235 1.00 0.00 H new ATOM 0 HG1 THR A 562 51.587 -4.047 -1.738 1.00 0.00 H new ATOM 0 HG21 THR A 562 51.038 -3.990 0.617 1.00 0.00 H new ATOM 0 HG22 THR A 562 52.286 -3.330 1.701 1.00 0.00 H new ATOM 0 HG23 THR A 562 51.409 -2.249 0.591 1.00 0.00 H new ATOM 338 N ALA A 563 54.812 -1.408 1.800 1.00 0.00 N ATOM 339 CA ALA A 563 55.413 -1.410 3.162 1.00 0.00 C ATOM 340 C ALA A 563 54.299 -1.518 4.204 1.00 0.00 C ATOM 341 O ALA A 563 53.447 -2.381 4.119 1.00 0.00 O ATOM 342 CB ALA A 563 56.201 -0.113 3.361 1.00 0.00 C ATOM 0 H ALA A 563 54.575 -0.486 1.433 1.00 0.00 H new ATOM 0 HA ALA A 563 56.087 -2.259 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 563 56.645 -0.106 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 563 56.990 -0.048 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 563 55.530 0.740 3.257 1.00 0.00 H new ATOM 348 N MET A 564 54.293 -0.648 5.178 1.00 0.00 N ATOM 349 CA MET A 564 53.227 -0.691 6.216 1.00 0.00 C ATOM 350 C MET A 564 51.931 -0.181 5.593 1.00 0.00 C ATOM 351 O MET A 564 51.387 0.829 5.994 1.00 0.00 O ATOM 352 CB MET A 564 53.622 0.210 7.382 1.00 0.00 C ATOM 353 CG MET A 564 54.906 -0.316 8.026 1.00 0.00 C ATOM 354 SD MET A 564 55.335 0.715 9.450 1.00 0.00 S ATOM 355 CE MET A 564 54.444 -0.238 10.705 1.00 0.00 C ATOM 0 H MET A 564 54.984 0.093 5.298 1.00 0.00 H new ATOM 0 HA MET A 564 53.093 -1.709 6.581 1.00 0.00 H new ATOM 0 HB2 MET A 564 53.771 1.231 7.031 1.00 0.00 H new ATOM 0 HB3 MET A 564 52.820 0.240 8.119 1.00 0.00 H new ATOM 0 HG2 MET A 564 54.770 -1.351 8.341 1.00 0.00 H new ATOM 0 HG3 MET A 564 55.719 -0.308 7.300 1.00 0.00 H new ATOM 0 HE1 MET A 564 54.690 0.145 11.695 1.00 0.00 H new ATOM 0 HE2 MET A 564 53.371 -0.147 10.537 1.00 0.00 H new ATOM 0 HE3 MET A 564 54.734 -1.287 10.639 1.00 0.00 H new ATOM 365 N ALA A 565 51.464 -0.865 4.585 1.00 0.00 N ATOM 366 CA ALA A 565 50.224 -0.439 3.872 1.00 0.00 C ATOM 367 C ALA A 565 50.581 0.714 2.932 1.00 0.00 C ATOM 368 O ALA A 565 49.809 1.094 2.073 1.00 0.00 O ATOM 369 CB ALA A 565 49.153 0.012 4.874 1.00 0.00 C ATOM 0 H ALA A 565 51.895 -1.714 4.219 1.00 0.00 H new ATOM 0 HA ALA A 565 49.821 -1.278 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 565 48.257 0.319 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 565 48.910 -0.814 5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 565 49.531 0.852 5.457 1.00 0.00 H new ATOM 375 N LYS A 566 51.760 1.261 3.089 1.00 0.00 N ATOM 376 CA LYS A 566 52.201 2.382 2.213 1.00 0.00 C ATOM 377 C LYS A 566 52.902 1.805 0.984 1.00 0.00 C ATOM 378 O LYS A 566 53.732 0.922 1.092 1.00 0.00 O ATOM 379 CB LYS A 566 53.180 3.271 2.984 1.00 0.00 C ATOM 380 CG LYS A 566 52.448 4.507 3.512 1.00 0.00 C ATOM 381 CD LYS A 566 53.441 5.415 4.240 1.00 0.00 C ATOM 382 CE LYS A 566 53.799 4.804 5.599 1.00 0.00 C ATOM 383 NZ LYS A 566 55.148 4.174 5.523 1.00 0.00 N ATOM 0 H LYS A 566 52.440 0.974 3.793 1.00 0.00 H new ATOM 0 HA LYS A 566 51.339 2.973 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 566 53.617 2.714 3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 566 54.001 3.573 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 566 51.982 5.047 2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 566 51.648 4.208 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 566 54.341 5.541 3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 566 53.009 6.406 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 566 53.789 5.575 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 566 53.054 4.060 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 566 55.194 3.372 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 566 55.319 3.836 4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 566 55.873 4.874 5.778 1.00 0.00 H new ATOM 397 N LYS A 567 52.575 2.290 -0.183 1.00 0.00 N ATOM 398 CA LYS A 567 53.219 1.763 -1.416 1.00 0.00 C ATOM 399 C LYS A 567 54.409 2.640 -1.786 1.00 0.00 C ATOM 400 O LYS A 567 54.611 3.695 -1.225 1.00 0.00 O ATOM 401 CB LYS A 567 52.203 1.758 -2.560 1.00 0.00 C ATOM 402 CG LYS A 567 51.322 0.513 -2.449 1.00 0.00 C ATOM 403 CD LYS A 567 50.682 0.459 -1.057 1.00 0.00 C ATOM 404 CE LYS A 567 49.464 -0.463 -1.089 1.00 0.00 C ATOM 405 NZ LYS A 567 49.215 -1.005 0.277 1.00 0.00 N ATOM 0 H LYS A 567 51.889 3.029 -0.334 1.00 0.00 H new ATOM 0 HA LYS A 567 53.566 0.745 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 567 51.588 2.657 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 567 52.719 1.768 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 567 50.548 0.533 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 567 51.918 -0.383 -2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 567 51.406 0.097 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 567 50.385 1.460 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 567 48.589 0.085 -1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 567 49.631 -1.280 -1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 49.441 -2.020 0.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 49.815 -0.505 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 48.215 -0.869 0.527 1.00 0.00 H new ATOM 419 N PHE A 568 55.201 2.201 -2.722 1.00 0.00 N ATOM 420 CA PHE A 568 56.394 2.994 -3.138 1.00 0.00 C ATOM 421 C PHE A 568 56.812 2.563 -4.538 1.00 0.00 C ATOM 422 O PHE A 568 56.863 1.383 -4.832 1.00 0.00 O ATOM 423 CB PHE A 568 57.569 2.693 -2.197 1.00 0.00 C ATOM 424 CG PHE A 568 57.363 3.327 -0.840 1.00 0.00 C ATOM 425 CD1 PHE A 568 57.807 4.633 -0.600 1.00 0.00 C ATOM 426 CD2 PHE A 568 56.746 2.599 0.186 1.00 0.00 C ATOM 427 CE1 PHE A 568 57.635 5.209 0.664 1.00 0.00 C ATOM 428 CE2 PHE A 568 56.570 3.177 1.448 1.00 0.00 C ATOM 429 CZ PHE A 568 57.015 4.482 1.688 1.00 0.00 C ATOM 0 H PHE A 568 55.074 1.321 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 568 56.142 4.054 -3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 568 57.680 1.615 -2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 568 58.494 3.064 -2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 568 58.282 5.196 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 568 56.406 1.591 0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 568 57.981 6.215 0.850 1.00 0.00 H new ATOM 0 HE2 PHE A 568 56.091 2.616 2.237 1.00 0.00 H new ATOM 0 HZ PHE A 568 56.880 4.928 2.662 1.00 0.00 H new ATOM 439 N HIS A 569 57.155 3.488 -5.395 1.00 0.00 N ATOM 440 CA HIS A 569 57.616 3.077 -6.748 1.00 0.00 C ATOM 441 C HIS A 569 58.813 2.148 -6.533 1.00 0.00 C ATOM 442 O HIS A 569 59.668 2.435 -5.718 1.00 0.00 O ATOM 443 CB HIS A 569 58.071 4.298 -7.557 1.00 0.00 C ATOM 444 CG HIS A 569 56.891 4.967 -8.209 1.00 0.00 C ATOM 445 ND1 HIS A 569 56.499 6.250 -7.869 1.00 0.00 N ATOM 446 CD2 HIS A 569 56.022 4.556 -9.189 1.00 0.00 C ATOM 447 CE1 HIS A 569 55.436 6.568 -8.630 1.00 0.00 C ATOM 448 NE2 HIS A 569 55.105 5.569 -9.452 1.00 0.00 N ATOM 0 H HIS A 569 57.136 4.493 -5.219 1.00 0.00 H new ATOM 0 HA HIS A 569 56.810 2.589 -7.296 1.00 0.00 H new ATOM 0 HB2 HIS A 569 58.582 5.005 -6.903 1.00 0.00 H new ATOM 0 HB3 HIS A 569 58.789 3.991 -8.318 1.00 0.00 H new ATOM 0 HD2 HIS A 569 56.046 3.594 -9.680 1.00 0.00 H new ATOM 0 HE1 HIS A 569 54.915 7.513 -8.582 1.00 0.00 H new ATOM 0 HE2 HIS A 569 54.342 5.552 -10.129 1.00 0.00 H new ATOM 456 N PRO A 570 58.878 1.044 -7.228 1.00 0.00 N ATOM 457 CA PRO A 570 60.011 0.089 -7.059 1.00 0.00 C ATOM 458 C PRO A 570 61.381 0.778 -7.113 1.00 0.00 C ATOM 459 O PRO A 570 62.398 0.186 -6.808 1.00 0.00 O ATOM 460 CB PRO A 570 59.806 -0.856 -8.239 1.00 0.00 C ATOM 461 CG PRO A 570 58.360 -0.692 -8.721 1.00 0.00 C ATOM 462 CD PRO A 570 57.842 0.660 -8.223 1.00 0.00 C ATOM 0 HA PRO A 570 60.012 -0.406 -6.088 1.00 0.00 H new ATOM 0 HB2 PRO A 570 60.506 -0.623 -9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 570 59.995 -1.887 -7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.314 -0.740 -9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 570 57.738 -1.502 -8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.762 1.388 -9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.854 0.576 -7.771 1.00 0.00 H new ATOM 470 N GLU A 571 61.402 2.031 -7.484 1.00 0.00 N ATOM 471 CA GLU A 571 62.686 2.786 -7.550 1.00 0.00 C ATOM 472 C GLU A 571 62.685 3.892 -6.484 1.00 0.00 C ATOM 473 O GLU A 571 63.712 4.469 -6.182 1.00 0.00 O ATOM 474 CB GLU A 571 62.833 3.417 -8.936 1.00 0.00 C ATOM 475 CG GLU A 571 61.647 4.350 -9.202 1.00 0.00 C ATOM 476 CD GLU A 571 61.865 5.100 -10.518 1.00 0.00 C ATOM 477 OE1 GLU A 571 62.275 6.248 -10.461 1.00 0.00 O ATOM 478 OE2 GLU A 571 61.616 4.515 -11.559 1.00 0.00 O ATOM 0 H GLU A 571 60.576 2.568 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 571 63.518 2.106 -7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 571 63.768 3.974 -8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.876 2.639 -9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 571 60.723 3.774 -9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 571 61.539 5.059 -8.382 1.00 0.00 H new ATOM 485 N HIS A 572 61.542 4.191 -5.910 1.00 0.00 N ATOM 486 CA HIS A 572 61.482 5.259 -4.865 1.00 0.00 C ATOM 487 C HIS A 572 61.449 4.613 -3.482 1.00 0.00 C ATOM 488 O HIS A 572 61.630 5.270 -2.475 1.00 0.00 O ATOM 489 CB HIS A 572 60.234 6.127 -5.070 1.00 0.00 C ATOM 490 CG HIS A 572 60.368 6.864 -6.375 1.00 0.00 C ATOM 491 ND1 HIS A 572 59.284 7.414 -7.052 1.00 0.00 N ATOM 492 CD2 HIS A 572 61.469 7.144 -7.150 1.00 0.00 C ATOM 493 CE1 HIS A 572 59.759 7.984 -8.176 1.00 0.00 C ATOM 494 NE2 HIS A 572 61.079 7.847 -8.281 1.00 0.00 N ATOM 0 H HIS A 572 60.651 3.741 -6.121 1.00 0.00 H new ATOM 0 HA HIS A 572 62.365 5.893 -4.946 1.00 0.00 H new ATOM 0 HB2 HIS A 572 59.339 5.506 -5.077 1.00 0.00 H new ATOM 0 HB3 HIS A 572 60.125 6.833 -4.247 1.00 0.00 H new ATOM 0 HD2 HIS A 572 62.484 6.860 -6.914 1.00 0.00 H new ATOM 0 HE1 HIS A 572 59.143 8.491 -8.904 1.00 0.00 H new ATOM 0 HE2 HIS A 572 61.677 8.187 -9.034 1.00 0.00 H new ATOM 502 N PHE A 573 61.241 3.325 -3.428 1.00 0.00 N ATOM 503 CA PHE A 573 61.222 2.626 -2.118 1.00 0.00 C ATOM 504 C PHE A 573 62.663 2.473 -1.647 1.00 0.00 C ATOM 505 O PHE A 573 63.314 1.484 -1.918 1.00 0.00 O ATOM 506 CB PHE A 573 60.589 1.244 -2.282 1.00 0.00 C ATOM 507 CG PHE A 573 60.497 0.559 -0.935 1.00 0.00 C ATOM 508 CD1 PHE A 573 61.073 -0.703 -0.753 1.00 0.00 C ATOM 509 CD2 PHE A 573 59.836 1.185 0.129 1.00 0.00 C ATOM 510 CE1 PHE A 573 60.988 -1.340 0.491 1.00 0.00 C ATOM 511 CE2 PHE A 573 59.751 0.549 1.372 1.00 0.00 C ATOM 512 CZ PHE A 573 60.326 -0.713 1.553 1.00 0.00 C ATOM 0 H PHE A 573 61.083 2.728 -4.240 1.00 0.00 H new ATOM 0 HA PHE A 573 60.641 3.195 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 573 59.596 1.339 -2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 573 61.184 0.640 -2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 573 61.584 -1.186 -1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 573 59.392 2.159 -0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 573 61.433 -2.314 0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 573 59.241 1.033 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 573 60.259 -1.204 2.513 1.00 0.00 H new ATOM 522 N VAL A 574 63.170 3.457 -0.966 1.00 0.00 N ATOM 523 CA VAL A 574 64.580 3.388 -0.491 1.00 0.00 C ATOM 524 C VAL A 574 64.615 3.176 1.024 1.00 0.00 C ATOM 525 O VAL A 574 63.605 3.236 1.698 1.00 0.00 O ATOM 526 CB VAL A 574 65.305 4.690 -0.845 1.00 0.00 C ATOM 527 CG1 VAL A 574 65.302 4.885 -2.365 1.00 0.00 C ATOM 528 CG2 VAL A 574 64.593 5.873 -0.178 1.00 0.00 C ATOM 0 H VAL A 574 62.669 4.310 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 574 65.078 2.550 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 574 66.334 4.637 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 574 65.818 5.812 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 574 65.812 4.047 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 574 64.274 4.935 -2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 574 65.110 6.799 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 574 63.563 5.924 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 574 64.599 5.738 0.904 1.00 0.00 H new ATOM 538 N CYS A 575 65.781 2.926 1.556 1.00 0.00 N ATOM 539 CA CYS A 575 65.916 2.702 3.023 1.00 0.00 C ATOM 540 C CYS A 575 65.814 4.036 3.762 1.00 0.00 C ATOM 541 O CYS A 575 66.489 4.990 3.426 1.00 0.00 O ATOM 542 CB CYS A 575 67.282 2.077 3.304 1.00 0.00 C ATOM 543 SG CYS A 575 67.614 2.098 5.085 1.00 0.00 S ATOM 0 H CYS A 575 66.654 2.867 1.031 1.00 0.00 H new ATOM 0 HA CYS A 575 65.121 2.039 3.365 1.00 0.00 H new ATOM 0 HB2 CYS A 575 67.306 1.053 2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 575 68.059 2.627 2.774 1.00 0.00 H new ATOM 548 N ALA A 576 64.984 4.109 4.771 1.00 0.00 N ATOM 549 CA ALA A 576 64.849 5.383 5.542 1.00 0.00 C ATOM 550 C ALA A 576 66.116 5.618 6.381 1.00 0.00 C ATOM 551 O ALA A 576 66.055 6.087 7.502 1.00 0.00 O ATOM 552 CB ALA A 576 63.630 5.291 6.463 1.00 0.00 C ATOM 0 H ALA A 576 64.394 3.342 5.095 1.00 0.00 H new ATOM 0 HA ALA A 576 64.720 6.215 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 576 63.529 6.219 7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 576 62.733 5.130 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 576 63.759 4.458 7.155 1.00 0.00 H new ATOM 558 N PHE A 577 67.262 5.301 5.836 1.00 0.00 N ATOM 559 CA PHE A 577 68.546 5.502 6.570 1.00 0.00 C ATOM 560 C PHE A 577 69.611 5.940 5.569 1.00 0.00 C ATOM 561 O PHE A 577 70.144 7.030 5.647 1.00 0.00 O ATOM 562 CB PHE A 577 68.976 4.185 7.222 1.00 0.00 C ATOM 563 CG PHE A 577 69.869 4.468 8.409 1.00 0.00 C ATOM 564 CD1 PHE A 577 71.242 4.204 8.332 1.00 0.00 C ATOM 565 CD2 PHE A 577 69.323 4.992 9.588 1.00 0.00 C ATOM 566 CE1 PHE A 577 72.068 4.464 9.431 1.00 0.00 C ATOM 567 CE2 PHE A 577 70.150 5.252 10.687 1.00 0.00 C ATOM 568 CZ PHE A 577 71.522 4.988 10.609 1.00 0.00 C ATOM 0 H PHE A 577 67.363 4.906 4.901 1.00 0.00 H new ATOM 0 HA PHE A 577 68.419 6.260 7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 577 68.098 3.623 7.542 1.00 0.00 H new ATOM 0 HB3 PHE A 577 69.504 3.565 6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 577 71.664 3.799 7.424 1.00 0.00 H new ATOM 0 HD2 PHE A 577 68.264 5.195 9.649 1.00 0.00 H new ATOM 0 HE1 PHE A 577 73.127 4.260 9.371 1.00 0.00 H new ATOM 0 HE2 PHE A 577 69.729 5.657 11.596 1.00 0.00 H new ATOM 0 HZ PHE A 577 72.160 5.188 11.457 1.00 0.00 H new ATOM 578 N CYS A 578 69.909 5.094 4.620 1.00 0.00 N ATOM 579 CA CYS A 578 70.928 5.443 3.588 1.00 0.00 C ATOM 580 C CYS A 578 70.210 5.991 2.353 1.00 0.00 C ATOM 581 O CYS A 578 70.794 6.672 1.533 1.00 0.00 O ATOM 582 CB CYS A 578 71.726 4.192 3.213 1.00 0.00 C ATOM 583 SG CYS A 578 70.599 2.792 3.006 1.00 0.00 S ATOM 0 H CYS A 578 69.488 4.171 4.515 1.00 0.00 H new ATOM 0 HA CYS A 578 71.613 6.195 3.979 1.00 0.00 H new ATOM 0 HB2 CYS A 578 72.280 4.365 2.291 1.00 0.00 H new ATOM 0 HB3 CYS A 578 72.459 3.970 3.989 1.00 0.00 H new ATOM 588 N LEU A 579 68.938 5.701 2.230 1.00 0.00 N ATOM 589 CA LEU A 579 68.141 6.199 1.066 1.00 0.00 C ATOM 590 C LEU A 579 68.804 5.792 -0.255 1.00 0.00 C ATOM 591 O LEU A 579 68.515 6.348 -1.297 1.00 0.00 O ATOM 592 CB LEU A 579 68.025 7.726 1.136 1.00 0.00 C ATOM 593 CG LEU A 579 67.323 8.131 2.439 1.00 0.00 C ATOM 594 CD1 LEU A 579 68.358 8.638 3.446 1.00 0.00 C ATOM 595 CD2 LEU A 579 66.309 9.242 2.150 1.00 0.00 C ATOM 0 H LEU A 579 68.412 5.134 2.895 1.00 0.00 H new ATOM 0 HA LEU A 579 67.147 5.754 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 579 69.016 8.178 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 579 67.464 8.098 0.278 1.00 0.00 H new ATOM 0 HG LEU A 579 66.808 7.265 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.856 8.925 4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 579 69.080 7.848 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 579 68.876 9.503 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 579 65.811 9.529 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 579 66.825 10.106 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 579 65.568 8.882 1.436 1.00 0.00 H new ATOM 607 N LYS A 580 69.681 4.823 -0.225 1.00 0.00 N ATOM 608 CA LYS A 580 70.347 4.383 -1.486 1.00 0.00 C ATOM 609 C LYS A 580 69.311 3.691 -2.379 1.00 0.00 C ATOM 610 O LYS A 580 69.113 4.059 -3.521 1.00 0.00 O ATOM 611 CB LYS A 580 71.490 3.412 -1.154 1.00 0.00 C ATOM 612 CG LYS A 580 70.939 2.176 -0.429 1.00 0.00 C ATOM 613 CD LYS A 580 72.076 1.450 0.297 1.00 0.00 C ATOM 614 CE LYS A 580 72.083 -0.028 -0.101 1.00 0.00 C ATOM 615 NZ LYS A 580 72.480 -0.155 -1.533 1.00 0.00 N ATOM 0 H LYS A 580 69.964 4.319 0.615 1.00 0.00 H new ATOM 0 HA LYS A 580 70.760 5.245 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 580 71.998 3.110 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 580 72.230 3.910 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 580 70.171 2.474 0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 580 70.465 1.504 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 580 73.032 1.909 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 580 71.951 1.545 1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 580 72.777 -0.582 0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 580 71.095 -0.462 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 580 72.860 -1.108 -1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 580 71.649 0.001 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 580 73.209 0.553 -1.755 1.00 0.00 H new ATOM 629 N GLN A 581 68.645 2.699 -1.852 1.00 0.00 N ATOM 630 CA GLN A 581 67.609 1.965 -2.627 1.00 0.00 C ATOM 631 C GLN A 581 67.049 0.866 -1.732 1.00 0.00 C ATOM 632 O GLN A 581 67.671 0.478 -0.762 1.00 0.00 O ATOM 633 CB GLN A 581 68.224 1.337 -3.883 1.00 0.00 C ATOM 634 CG GLN A 581 67.349 1.656 -5.100 1.00 0.00 C ATOM 635 CD GLN A 581 66.722 0.371 -5.639 1.00 0.00 C ATOM 636 OE1 GLN A 581 67.306 -0.309 -6.458 1.00 0.00 O ATOM 637 NE2 GLN A 581 65.548 0.010 -5.209 1.00 0.00 N ATOM 0 H GLN A 581 68.780 2.362 -0.899 1.00 0.00 H new ATOM 0 HA GLN A 581 66.822 2.652 -2.938 1.00 0.00 H new ATOM 0 HB2 GLN A 581 69.232 1.721 -4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 581 68.310 0.258 -3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 581 66.568 2.364 -4.822 1.00 0.00 H new ATOM 0 HG3 GLN A 581 67.949 2.132 -5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 581 65.059 0.582 -4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 581 65.117 -0.845 -5.560 1.00 0.00 H new ATOM 646 N LEU A 582 65.885 0.363 -2.032 1.00 0.00 N ATOM 647 CA LEU A 582 65.313 -0.703 -1.167 1.00 0.00 C ATOM 648 C LEU A 582 64.247 -1.495 -1.927 1.00 0.00 C ATOM 649 O LEU A 582 63.712 -1.049 -2.924 1.00 0.00 O ATOM 650 CB LEU A 582 64.694 -0.057 0.076 1.00 0.00 C ATOM 651 CG LEU A 582 64.772 -1.023 1.256 1.00 0.00 C ATOM 652 CD1 LEU A 582 66.225 -1.171 1.712 1.00 0.00 C ATOM 653 CD2 LEU A 582 63.926 -0.479 2.408 1.00 0.00 C ATOM 0 H LEU A 582 65.311 0.640 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 582 66.106 -1.390 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 582 65.219 0.867 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 582 63.655 0.208 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 582 64.394 -1.999 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 582 66.274 -1.861 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 582 66.827 -1.558 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 582 66.611 -0.199 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 582 63.978 -1.165 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 582 64.306 0.497 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 582 62.890 -0.381 2.084 1.00 0.00 H new ATOM 665 N ASN A 583 63.942 -2.674 -1.451 1.00 0.00 N ATOM 666 CA ASN A 583 62.916 -3.521 -2.119 1.00 0.00 C ATOM 667 C ASN A 583 62.306 -4.473 -1.087 1.00 0.00 C ATOM 668 O ASN A 583 63.009 -5.110 -0.325 1.00 0.00 O ATOM 669 CB ASN A 583 63.573 -4.331 -3.242 1.00 0.00 C ATOM 670 CG ASN A 583 62.530 -5.230 -3.909 1.00 0.00 C ATOM 671 OD1 ASN A 583 61.507 -4.760 -4.365 1.00 0.00 O ATOM 672 ND2 ASN A 583 62.745 -6.515 -3.983 1.00 0.00 N ATOM 0 H ASN A 583 64.365 -3.088 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 583 62.135 -2.890 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 583 64.012 -3.659 -3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 583 64.385 -4.937 -2.839 1.00 0.00 H new ATOM 0 HD21 ASN A 583 62.055 -7.123 -4.423 1.00 0.00 H new ATOM 0 HD22 ASN A 583 63.604 -6.911 -3.601 1.00 0.00 H new ATOM 679 N LYS A 584 61.002 -4.573 -1.061 1.00 0.00 N ATOM 680 CA LYS A 584 60.325 -5.482 -0.086 1.00 0.00 C ATOM 681 C LYS A 584 60.947 -6.880 -0.168 1.00 0.00 C ATOM 682 O LYS A 584 60.928 -7.636 0.784 1.00 0.00 O ATOM 683 CB LYS A 584 58.833 -5.557 -0.442 1.00 0.00 C ATOM 684 CG LYS A 584 58.186 -6.798 0.189 1.00 0.00 C ATOM 685 CD LYS A 584 58.198 -6.677 1.716 1.00 0.00 C ATOM 686 CE LYS A 584 57.246 -5.559 2.152 1.00 0.00 C ATOM 687 NZ LYS A 584 56.663 -5.893 3.482 1.00 0.00 N ATOM 0 H LYS A 584 60.372 -4.060 -1.678 1.00 0.00 H new ATOM 0 HA LYS A 584 60.447 -5.100 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 584 58.325 -4.658 -0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 584 58.714 -5.589 -1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 584 57.161 -6.905 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 584 58.725 -7.695 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 584 57.896 -7.622 2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 584 59.208 -6.465 2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 584 57.782 -4.611 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 584 56.452 -5.435 1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 56.441 -5.015 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 55.792 -6.446 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 57.348 -6.451 4.031 1.00 0.00 H new ATOM 701 N GLY A 585 61.485 -7.222 -1.308 1.00 0.00 N ATOM 702 CA GLY A 585 62.106 -8.566 -1.493 1.00 0.00 C ATOM 703 C GLY A 585 62.955 -8.956 -0.280 1.00 0.00 C ATOM 704 O GLY A 585 62.933 -10.092 0.151 1.00 0.00 O ATOM 0 H GLY A 585 61.521 -6.619 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 585 61.326 -9.311 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 585 62.727 -8.562 -2.389 1.00 0.00 H new ATOM 708 N THR A 586 63.707 -8.036 0.272 1.00 0.00 N ATOM 709 CA THR A 586 64.560 -8.390 1.452 1.00 0.00 C ATOM 710 C THR A 586 64.825 -7.156 2.322 1.00 0.00 C ATOM 711 O THR A 586 65.901 -7.002 2.869 1.00 0.00 O ATOM 712 CB THR A 586 65.902 -8.953 0.962 1.00 0.00 C ATOM 713 OG1 THR A 586 66.452 -8.079 -0.014 1.00 0.00 O ATOM 714 CG2 THR A 586 65.696 -10.339 0.346 1.00 0.00 C ATOM 0 H THR A 586 63.768 -7.066 -0.038 1.00 0.00 H new ATOM 0 HA THR A 586 64.032 -9.135 2.047 1.00 0.00 H new ATOM 0 HB THR A 586 66.584 -9.037 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 586 67.309 -8.436 -0.327 1.00 0.00 H new ATOM 0 HG21 THR A 586 66.653 -10.730 0.001 1.00 0.00 H new ATOM 0 HG22 THR A 586 65.278 -11.012 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 586 65.010 -10.264 -0.498 1.00 0.00 H new ATOM 722 N PHE A 587 63.866 -6.281 2.474 1.00 0.00 N ATOM 723 CA PHE A 587 64.100 -5.082 3.329 1.00 0.00 C ATOM 724 C PHE A 587 63.658 -5.381 4.761 1.00 0.00 C ATOM 725 O PHE A 587 63.159 -6.446 5.067 1.00 0.00 O ATOM 726 CB PHE A 587 63.305 -3.874 2.797 1.00 0.00 C ATOM 727 CG PHE A 587 61.966 -3.770 3.500 1.00 0.00 C ATOM 728 CD1 PHE A 587 61.068 -4.845 3.468 1.00 0.00 C ATOM 729 CD2 PHE A 587 61.627 -2.597 4.187 1.00 0.00 C ATOM 730 CE1 PHE A 587 59.835 -4.747 4.124 1.00 0.00 C ATOM 731 CE2 PHE A 587 60.393 -2.500 4.841 1.00 0.00 C ATOM 732 CZ PHE A 587 59.497 -3.575 4.810 1.00 0.00 C ATOM 0 H PHE A 587 62.941 -6.343 2.048 1.00 0.00 H new ATOM 0 HA PHE A 587 65.163 -4.843 3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 587 63.876 -2.958 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 587 63.152 -3.976 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 587 61.327 -5.749 2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 587 62.318 -1.767 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 587 59.144 -5.577 4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 587 60.132 -1.595 5.370 1.00 0.00 H new ATOM 0 HZ PHE A 587 58.545 -3.500 5.315 1.00 0.00 H new ATOM 742 N LYS A 588 63.822 -4.422 5.620 1.00 0.00 N ATOM 743 CA LYS A 588 63.405 -4.572 7.039 1.00 0.00 C ATOM 744 C LYS A 588 62.803 -3.237 7.476 1.00 0.00 C ATOM 745 O LYS A 588 62.833 -2.275 6.735 1.00 0.00 O ATOM 746 CB LYS A 588 64.626 -4.899 7.907 1.00 0.00 C ATOM 747 CG LYS A 588 64.965 -6.391 7.807 1.00 0.00 C ATOM 748 CD LYS A 588 63.927 -7.212 8.583 1.00 0.00 C ATOM 749 CE LYS A 588 63.113 -8.066 7.610 1.00 0.00 C ATOM 750 NZ LYS A 588 62.278 -9.033 8.377 1.00 0.00 N ATOM 0 H LYS A 588 64.237 -3.518 5.394 1.00 0.00 H new ATOM 0 HA LYS A 588 62.681 -5.379 7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 588 65.480 -4.303 7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 588 64.425 -4.633 8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 588 64.980 -6.701 6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 588 65.962 -6.575 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 588 64.426 -7.850 9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 588 63.266 -6.548 9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 588 62.478 -7.429 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 588 63.780 -8.601 6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 61.724 -9.614 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 62.894 -9.648 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 61.633 -8.513 9.005 1.00 0.00 H new ATOM 764 N GLU A 589 62.257 -3.153 8.656 1.00 0.00 N ATOM 765 CA GLU A 589 61.668 -1.856 9.090 1.00 0.00 C ATOM 766 C GLU A 589 61.800 -1.686 10.601 1.00 0.00 C ATOM 767 O GLU A 589 61.875 -2.641 11.351 1.00 0.00 O ATOM 768 CB GLU A 589 60.189 -1.794 8.686 1.00 0.00 C ATOM 769 CG GLU A 589 59.317 -2.424 9.776 1.00 0.00 C ATOM 770 CD GLU A 589 57.927 -2.726 9.209 1.00 0.00 C ATOM 771 OE1 GLU A 589 57.821 -3.641 8.408 1.00 0.00 O ATOM 772 OE2 GLU A 589 56.994 -2.036 9.584 1.00 0.00 O ATOM 0 H GLU A 589 62.193 -3.915 9.331 1.00 0.00 H new ATOM 0 HA GLU A 589 62.210 -1.047 8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 589 59.891 -0.758 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 589 60.040 -2.318 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 589 59.779 -3.341 10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 589 59.235 -1.748 10.627 1.00 0.00 H new ATOM 779 N GLN A 590 61.819 -0.462 11.040 1.00 0.00 N ATOM 780 CA GLN A 590 61.932 -0.165 12.490 1.00 0.00 C ATOM 781 C GLN A 590 61.353 1.226 12.731 1.00 0.00 C ATOM 782 O GLN A 590 61.388 2.071 11.864 1.00 0.00 O ATOM 783 CB GLN A 590 63.407 -0.185 12.901 1.00 0.00 C ATOM 784 CG GLN A 590 63.522 -0.151 14.428 1.00 0.00 C ATOM 785 CD GLN A 590 63.133 -1.512 15.006 1.00 0.00 C ATOM 786 OE1 GLN A 590 62.482 -1.589 16.029 1.00 0.00 O ATOM 787 NE2 GLN A 590 63.507 -2.598 14.390 1.00 0.00 N ATOM 0 H GLN A 590 61.760 0.362 10.441 1.00 0.00 H new ATOM 0 HA GLN A 590 61.392 -0.908 13.076 1.00 0.00 H new ATOM 0 HB2 GLN A 590 63.890 -1.081 12.511 1.00 0.00 H new ATOM 0 HB3 GLN A 590 63.926 0.671 12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 590 64.542 0.100 14.720 1.00 0.00 H new ATOM 0 HG3 GLN A 590 62.874 0.626 14.834 1.00 0.00 H new ATOM 0 HE21 GLN A 590 64.054 -2.535 13.531 1.00 0.00 H new ATOM 0 HE22 GLN A 590 63.253 -3.511 14.767 1.00 0.00 H new ATOM 796 N ASN A 591 60.820 1.473 13.895 1.00 0.00 N ATOM 797 CA ASN A 591 60.243 2.819 14.184 1.00 0.00 C ATOM 798 C ASN A 591 59.208 3.204 13.115 1.00 0.00 C ATOM 799 O ASN A 591 58.874 4.364 12.964 1.00 0.00 O ATOM 800 CB ASN A 591 61.369 3.859 14.203 1.00 0.00 C ATOM 801 CG ASN A 591 62.181 3.715 15.491 1.00 0.00 C ATOM 802 OD1 ASN A 591 61.664 3.897 16.575 1.00 0.00 O ATOM 803 ND2 ASN A 591 63.443 3.394 15.416 1.00 0.00 N ATOM 0 H ASN A 591 60.758 0.802 14.660 1.00 0.00 H new ATOM 0 HA ASN A 591 59.747 2.789 15.154 1.00 0.00 H new ATOM 0 HB2 ASN A 591 62.016 3.724 13.336 1.00 0.00 H new ATOM 0 HB3 ASN A 591 60.951 4.863 14.135 1.00 0.00 H new ATOM 0 HD21 ASN A 591 63.996 3.296 16.268 1.00 0.00 H new ATOM 0 HD22 ASN A 591 63.877 3.241 14.506 1.00 0.00 H new ATOM 810 N ASP A 592 58.696 2.243 12.379 1.00 0.00 N ATOM 811 CA ASP A 592 57.671 2.542 11.324 1.00 0.00 C ATOM 812 C ASP A 592 58.343 3.076 10.052 1.00 0.00 C ATOM 813 O ASP A 592 57.770 3.866 9.325 1.00 0.00 O ATOM 814 CB ASP A 592 56.674 3.586 11.845 1.00 0.00 C ATOM 815 CG ASP A 592 55.301 3.358 11.205 1.00 0.00 C ATOM 816 OD1 ASP A 592 55.085 3.858 10.114 1.00 0.00 O ATOM 817 OD2 ASP A 592 54.488 2.687 11.819 1.00 0.00 O ATOM 0 H ASP A 592 58.946 1.258 12.465 1.00 0.00 H new ATOM 0 HA ASP A 592 57.145 1.617 11.086 1.00 0.00 H new ATOM 0 HB2 ASP A 592 56.595 3.517 12.930 1.00 0.00 H new ATOM 0 HB3 ASP A 592 57.031 4.590 11.614 1.00 0.00 H new ATOM 822 N LYS A 593 59.544 2.649 9.765 1.00 0.00 N ATOM 823 CA LYS A 593 60.231 3.131 8.530 1.00 0.00 C ATOM 824 C LYS A 593 61.064 1.986 7.940 1.00 0.00 C ATOM 825 O LYS A 593 61.490 1.098 8.650 1.00 0.00 O ATOM 826 CB LYS A 593 61.136 4.336 8.845 1.00 0.00 C ATOM 827 CG LYS A 593 61.274 4.535 10.360 1.00 0.00 C ATOM 828 CD LYS A 593 61.801 5.945 10.648 1.00 0.00 C ATOM 829 CE LYS A 593 60.623 6.901 10.856 1.00 0.00 C ATOM 830 NZ LYS A 593 60.007 6.647 12.189 1.00 0.00 N ATOM 0 H LYS A 593 60.078 1.989 10.330 1.00 0.00 H new ATOM 0 HA LYS A 593 59.481 3.451 7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 593 62.120 4.182 8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 593 60.721 5.236 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 593 60.309 4.391 10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 593 61.954 3.790 10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 593 62.434 5.933 11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 593 62.420 6.289 9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 593 60.964 7.934 10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 593 59.883 6.760 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 59.360 7.426 12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 59.477 5.752 12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 60.754 6.585 12.910 1.00 0.00 H new ATOM 844 N PRO A 594 61.277 1.999 6.644 1.00 0.00 N ATOM 845 CA PRO A 594 62.053 0.923 5.957 1.00 0.00 C ATOM 846 C PRO A 594 63.540 0.949 6.286 1.00 0.00 C ATOM 847 O PRO A 594 64.100 1.970 6.633 1.00 0.00 O ATOM 848 CB PRO A 594 61.840 1.267 4.489 1.00 0.00 C ATOM 849 CG PRO A 594 61.423 2.733 4.423 1.00 0.00 C ATOM 850 CD PRO A 594 60.769 3.086 5.762 1.00 0.00 C ATOM 0 HA PRO A 594 61.725 -0.073 6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 594 62.754 1.101 3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 594 61.072 0.629 4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 594 62.288 3.370 4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 594 60.726 2.897 3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 594 61.068 4.073 6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 594 59.681 3.086 5.698 1.00 0.00 H new ATOM 858 N TYR A 595 64.170 -0.179 6.154 1.00 0.00 N ATOM 859 CA TYR A 595 65.626 -0.290 6.430 1.00 0.00 C ATOM 860 C TYR A 595 66.137 -1.551 5.738 1.00 0.00 C ATOM 861 O TYR A 595 65.622 -2.627 5.963 1.00 0.00 O ATOM 862 CB TYR A 595 65.860 -0.425 7.940 1.00 0.00 C ATOM 863 CG TYR A 595 65.544 0.878 8.635 1.00 0.00 C ATOM 864 CD1 TYR A 595 66.319 2.013 8.380 1.00 0.00 C ATOM 865 CD2 TYR A 595 64.474 0.949 9.534 1.00 0.00 C ATOM 866 CE1 TYR A 595 66.024 3.221 9.023 1.00 0.00 C ATOM 867 CE2 TYR A 595 64.180 2.157 10.176 1.00 0.00 C ATOM 868 CZ TYR A 595 64.955 3.292 9.921 1.00 0.00 C ATOM 869 OH TYR A 595 64.664 4.483 10.554 1.00 0.00 O ATOM 0 H TYR A 595 63.727 -1.050 5.860 1.00 0.00 H new ATOM 0 HA TYR A 595 66.146 0.596 6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 595 65.234 -1.221 8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 595 66.896 -0.706 8.131 1.00 0.00 H new ATOM 0 HD1 TYR A 595 67.145 1.958 7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 595 63.876 0.072 9.732 1.00 0.00 H new ATOM 0 HE1 TYR A 595 66.622 4.098 8.825 1.00 0.00 H new ATOM 0 HE2 TYR A 595 63.354 2.212 10.869 1.00 0.00 H new ATOM 0 HH TYR A 595 64.922 5.232 9.977 1.00 0.00 H new ATOM 879 N CYS A 596 67.136 -1.445 4.902 1.00 0.00 N ATOM 880 CA CYS A 596 67.650 -2.668 4.222 1.00 0.00 C ATOM 881 C CYS A 596 67.950 -3.717 5.285 1.00 0.00 C ATOM 882 O CYS A 596 68.387 -3.397 6.372 1.00 0.00 O ATOM 883 CB CYS A 596 68.934 -2.354 3.446 1.00 0.00 C ATOM 884 SG CYS A 596 68.964 -0.607 2.976 1.00 0.00 S ATOM 0 H CYS A 596 67.613 -0.576 4.663 1.00 0.00 H new ATOM 0 HA CYS A 596 66.901 -3.033 3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 596 69.805 -2.589 4.058 1.00 0.00 H new ATOM 0 HB3 CYS A 596 68.992 -2.979 2.555 1.00 0.00 H new ATOM 889 N GLN A 597 67.722 -4.963 4.986 1.00 0.00 N ATOM 890 CA GLN A 597 68.004 -6.028 5.986 1.00 0.00 C ATOM 891 C GLN A 597 69.417 -5.809 6.529 1.00 0.00 C ATOM 892 O GLN A 597 69.675 -5.971 7.703 1.00 0.00 O ATOM 893 CB GLN A 597 67.878 -7.392 5.296 1.00 0.00 C ATOM 894 CG GLN A 597 68.999 -8.345 5.736 1.00 0.00 C ATOM 895 CD GLN A 597 68.899 -8.632 7.240 1.00 0.00 C ATOM 896 OE1 GLN A 597 69.819 -9.165 7.828 1.00 0.00 O ATOM 897 NE2 GLN A 597 67.818 -8.301 7.892 1.00 0.00 N ATOM 0 H GLN A 597 67.353 -5.291 4.093 1.00 0.00 H new ATOM 0 HA GLN A 597 67.298 -5.995 6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 597 66.909 -7.833 5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 597 67.914 -7.260 4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 597 68.932 -9.278 5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 597 69.970 -7.905 5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 597 67.044 -7.853 7.402 1.00 0.00 H new ATOM 0 HE22 GLN A 597 67.748 -8.490 8.892 1.00 0.00 H new ATOM 906 N ASN A 598 70.322 -5.406 5.677 1.00 0.00 N ATOM 907 CA ASN A 598 71.713 -5.135 6.130 1.00 0.00 C ATOM 908 C ASN A 598 71.684 -3.928 7.067 1.00 0.00 C ATOM 909 O ASN A 598 72.361 -3.896 8.074 1.00 0.00 O ATOM 910 CB ASN A 598 72.597 -4.831 4.916 1.00 0.00 C ATOM 911 CG ASN A 598 74.013 -4.486 5.384 1.00 0.00 C ATOM 912 OD1 ASN A 598 74.383 -3.330 5.439 1.00 0.00 O ATOM 913 ND2 ASN A 598 74.826 -5.446 5.728 1.00 0.00 N ATOM 0 H ASN A 598 70.154 -5.253 4.683 1.00 0.00 H new ATOM 0 HA ASN A 598 72.119 -6.002 6.651 1.00 0.00 H new ATOM 0 HB2 ASN A 598 72.624 -5.692 4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 598 72.179 -4.000 4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 598 75.771 -5.226 6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 598 74.517 -6.417 5.682 1.00 0.00 H new ATOM 920 N CYS A 599 70.873 -2.949 6.752 1.00 0.00 N ATOM 921 CA CYS A 599 70.762 -1.752 7.632 1.00 0.00 C ATOM 922 C CYS A 599 70.100 -2.191 8.935 1.00 0.00 C ATOM 923 O CYS A 599 70.679 -2.091 9.989 1.00 0.00 O ATOM 924 CB CYS A 599 69.901 -0.678 6.956 1.00 0.00 C ATOM 925 SG CYS A 599 70.948 0.405 5.951 1.00 0.00 S ATOM 0 H CYS A 599 70.283 -2.930 5.920 1.00 0.00 H new ATOM 0 HA CYS A 599 71.750 -1.333 7.823 1.00 0.00 H new ATOM 0 HB2 CYS A 599 69.142 -1.148 6.331 1.00 0.00 H new ATOM 0 HB3 CYS A 599 69.375 -0.093 7.710 1.00 0.00 H new ATOM 930 N PHE A 600 68.899 -2.712 8.858 1.00 0.00 N ATOM 931 CA PHE A 600 68.200 -3.200 10.088 1.00 0.00 C ATOM 932 C PHE A 600 69.172 -4.084 10.867 1.00 0.00 C ATOM 933 O PHE A 600 69.324 -3.964 12.066 1.00 0.00 O ATOM 934 CB PHE A 600 66.974 -4.012 9.657 1.00 0.00 C ATOM 935 CG PHE A 600 66.393 -4.775 10.827 1.00 0.00 C ATOM 936 CD1 PHE A 600 65.308 -4.248 11.538 1.00 0.00 C ATOM 937 CD2 PHE A 600 66.929 -6.018 11.189 1.00 0.00 C ATOM 938 CE1 PHE A 600 64.760 -4.963 12.609 1.00 0.00 C ATOM 939 CE2 PHE A 600 66.383 -6.730 12.262 1.00 0.00 C ATOM 940 CZ PHE A 600 65.298 -6.203 12.972 1.00 0.00 C ATOM 0 H PHE A 600 68.371 -2.820 7.992 1.00 0.00 H new ATOM 0 HA PHE A 600 67.878 -2.370 10.717 1.00 0.00 H new ATOM 0 HB2 PHE A 600 66.219 -3.345 9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 600 67.254 -4.708 8.866 1.00 0.00 H new ATOM 0 HD1 PHE A 600 64.894 -3.290 11.260 1.00 0.00 H new ATOM 0 HD2 PHE A 600 67.764 -6.426 10.639 1.00 0.00 H new ATOM 0 HE1 PHE A 600 63.921 -4.558 13.156 1.00 0.00 H new ATOM 0 HE2 PHE A 600 66.799 -7.686 12.543 1.00 0.00 H new ATOM 0 HZ PHE A 600 64.876 -6.753 13.800 1.00 0.00 H new ATOM 950 N LEU A 601 69.852 -4.948 10.169 1.00 0.00 N ATOM 951 CA LEU A 601 70.856 -5.834 10.815 1.00 0.00 C ATOM 952 C LEU A 601 71.930 -4.948 11.459 1.00 0.00 C ATOM 953 O LEU A 601 72.581 -5.321 12.413 1.00 0.00 O ATOM 954 CB LEU A 601 71.471 -6.714 9.725 1.00 0.00 C ATOM 955 CG LEU A 601 72.598 -7.574 10.294 1.00 0.00 C ATOM 956 CD1 LEU A 601 72.003 -8.754 11.065 1.00 0.00 C ATOM 957 CD2 LEU A 601 73.450 -8.094 9.134 1.00 0.00 C ATOM 0 H LEU A 601 69.752 -5.079 9.162 1.00 0.00 H new ATOM 0 HA LEU A 601 70.406 -6.465 11.582 1.00 0.00 H new ATOM 0 HB2 LEU A 601 70.703 -7.354 9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 601 71.856 -6.088 8.920 1.00 0.00 H new ATOM 0 HG LEU A 601 73.214 -6.982 10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 601 72.808 -9.367 11.470 1.00 0.00 H new ATOM 0 HD12 LEU A 601 71.385 -8.381 11.881 1.00 0.00 H new ATOM 0 HD13 LEU A 601 71.392 -9.356 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 601 74.260 -8.710 9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 601 72.829 -8.691 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 601 73.869 -7.251 8.584 1.00 0.00 H new ATOM 969 N LYS A 602 72.098 -3.768 10.928 1.00 0.00 N ATOM 970 CA LYS A 602 73.103 -2.806 11.464 1.00 0.00 C ATOM 971 C LYS A 602 72.462 -1.935 12.552 1.00 0.00 C ATOM 972 O LYS A 602 73.092 -1.584 13.529 1.00 0.00 O ATOM 973 CB LYS A 602 73.571 -1.903 10.320 1.00 0.00 C ATOM 974 CG LYS A 602 75.084 -1.702 10.395 1.00 0.00 C ATOM 975 CD LYS A 602 75.804 -2.959 9.891 1.00 0.00 C ATOM 976 CE LYS A 602 75.721 -3.027 8.363 1.00 0.00 C ATOM 977 NZ LYS A 602 76.841 -3.862 7.842 1.00 0.00 N ATOM 0 H LYS A 602 71.569 -3.423 10.127 1.00 0.00 H new ATOM 0 HA LYS A 602 73.944 -3.354 11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 602 73.303 -2.348 9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 602 73.065 -0.939 10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 602 75.375 -0.840 9.794 1.00 0.00 H new ATOM 0 HG3 LYS A 602 75.381 -1.490 11.422 1.00 0.00 H new ATOM 0 HD2 LYS A 602 76.847 -2.943 10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 602 75.351 -3.849 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 602 74.764 -3.451 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 602 75.774 -2.024 7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 602 76.889 -3.772 6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 602 77.738 -3.540 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 602 76.679 -4.857 8.096 1.00 0.00 H new ATOM 991 N LEU A 603 71.219 -1.566 12.375 1.00 0.00 N ATOM 992 CA LEU A 603 70.536 -0.702 13.382 1.00 0.00 C ATOM 993 C LEU A 603 69.952 -1.569 14.498 1.00 0.00 C ATOM 994 O LEU A 603 70.261 -1.396 15.661 1.00 0.00 O ATOM 995 CB LEU A 603 69.395 0.082 12.714 1.00 0.00 C ATOM 996 CG LEU A 603 69.777 0.501 11.289 1.00 0.00 C ATOM 997 CD1 LEU A 603 68.694 1.425 10.725 1.00 0.00 C ATOM 998 CD2 LEU A 603 71.120 1.240 11.293 1.00 0.00 C ATOM 0 H LEU A 603 70.646 -1.828 11.573 1.00 0.00 H new ATOM 0 HA LEU A 603 71.265 -0.006 13.797 1.00 0.00 H new ATOM 0 HB2 LEU A 603 68.494 -0.531 12.687 1.00 0.00 H new ATOM 0 HB3 LEU A 603 69.161 0.966 13.307 1.00 0.00 H new ATOM 0 HG LEU A 603 69.865 -0.392 10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 603 68.963 1.725 9.712 1.00 0.00 H new ATOM 0 HD12 LEU A 603 67.740 0.898 10.707 1.00 0.00 H new ATOM 0 HD13 LEU A 603 68.607 2.311 11.354 1.00 0.00 H new ATOM 0 HD21 LEU A 603 71.378 1.531 10.275 1.00 0.00 H new ATOM 0 HD22 LEU A 603 71.043 2.131 11.917 1.00 0.00 H new ATOM 0 HD23 LEU A 603 71.895 0.584 11.690 1.00 0.00 H new ATOM 1010 N PHE A 604 69.098 -2.491 14.147 1.00 0.00 N ATOM 1011 CA PHE A 604 68.469 -3.370 15.173 1.00 0.00 C ATOM 1012 C PHE A 604 69.503 -4.350 15.730 1.00 0.00 C ATOM 1013 O PHE A 604 69.330 -4.901 16.800 1.00 0.00 O ATOM 1014 CB PHE A 604 67.323 -4.154 14.532 1.00 0.00 C ATOM 1015 CG PHE A 604 66.376 -4.636 15.606 1.00 0.00 C ATOM 1016 CD1 PHE A 604 66.367 -5.986 15.979 1.00 0.00 C ATOM 1017 CD2 PHE A 604 65.505 -3.733 16.230 1.00 0.00 C ATOM 1018 CE1 PHE A 604 65.489 -6.432 16.973 1.00 0.00 C ATOM 1019 CE2 PHE A 604 64.628 -4.180 17.224 1.00 0.00 C ATOM 1020 CZ PHE A 604 64.619 -5.529 17.596 1.00 0.00 C ATOM 0 H PHE A 604 68.807 -2.674 13.187 1.00 0.00 H new ATOM 0 HA PHE A 604 68.087 -2.753 15.987 1.00 0.00 H new ATOM 0 HB2 PHE A 604 66.791 -3.523 13.820 1.00 0.00 H new ATOM 0 HB3 PHE A 604 67.717 -5.003 13.973 1.00 0.00 H new ATOM 0 HD1 PHE A 604 67.038 -6.683 15.499 1.00 0.00 H new ATOM 0 HD2 PHE A 604 65.511 -2.692 15.944 1.00 0.00 H new ATOM 0 HE1 PHE A 604 65.482 -7.473 17.260 1.00 0.00 H new ATOM 0 HE2 PHE A 604 63.957 -3.483 17.705 1.00 0.00 H new ATOM 0 HZ PHE A 604 63.941 -5.873 18.363 1.00 0.00 H new ATOM 1030 N CYS A 605 70.572 -4.576 15.013 1.00 0.00 N ATOM 1031 CA CYS A 605 71.613 -5.528 15.505 1.00 0.00 C ATOM 1032 C CYS A 605 73.008 -5.006 15.139 1.00 0.00 C ATOM 1033 O CYS A 605 73.916 -5.815 15.022 1.00 0.00 O ATOM 1034 CB CYS A 605 71.381 -6.903 14.868 1.00 0.00 C ATOM 1035 SG CYS A 605 72.107 -8.186 15.919 1.00 0.00 S ATOM 1036 OXT CYS A 605 73.147 -3.805 14.989 1.00 0.00 O ATOM 0 H CYS A 605 70.770 -4.144 14.110 1.00 0.00 H new ATOM 0 HA CYS A 605 71.545 -5.617 16.589 1.00 0.00 H new ATOM 0 HB2 CYS A 605 70.313 -7.082 14.743 1.00 0.00 H new ATOM 0 HB3 CYS A 605 71.828 -6.936 13.875 1.00 0.00 H new ATOM 0 HG CYS A 605 71.909 -9.352 15.380 1.00 0.00 H new TER 1042 CYS A 605 HETATM 1043 ZN ZN A 701 57.364 7.402 -6.485 1.00 0.00 ZN HETATM 1044 ZN ZN A 702 69.566 1.184 4.284 1.00 0.00 ZN