USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 542 HIS : no HD1:sc=-0.00745 X(o=-0.0074,f=0) USER MOD Single : A 543 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 TYR OH : rot 180:sc= 0 USER MOD Single : A 555 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 556 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0158) USER MOD Single : A 558 CYS SG : rot 54:sc= 0.482 USER MOD Single : A 564 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.7!) USER MOD Single : A 570 MET CE :methyl -108:sc= -3.92 (180deg=-8.35!) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 580 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.041) USER MOD Single : A 581 GLN : amide:sc= -5.81! C(o=-5.8!,f=-13!) USER MOD Single : A 588 SER OG : rot 180:sc= 0 USER MOD Single : A 589 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0813) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 592 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 593 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 540 -8.204 19.446 -8.532 1.00 2.12 N ATOM 2 CA GLY A 540 -7.195 19.453 -7.488 1.00 51.51 C ATOM 3 C GLY A 540 -6.168 20.551 -7.682 1.00 62.52 C ATOM 4 O GLY A 540 -6.206 21.301 -8.658 1.00 21.02 O ATOM 0 HA2 GLY A 540 -7.679 19.580 -6.520 1.00 51.51 H new ATOM 0 HA3 GLY A 540 -6.690 18.487 -7.468 1.00 51.51 H new ATOM 8 N PRO A 541 -5.222 20.656 -6.737 1.00 20.21 N ATOM 9 CA PRO A 541 -4.162 21.668 -6.785 1.00 71.43 C ATOM 10 C PRO A 541 -3.157 21.400 -7.899 1.00 64.33 C ATOM 11 O PRO A 541 -3.211 20.363 -8.564 1.00 13.52 O ATOM 12 CB PRO A 541 -3.489 21.543 -5.416 1.00 34.40 C ATOM 13 CG PRO A 541 -3.764 20.144 -4.985 1.00 31.53 C ATOM 14 CD PRO A 541 -5.115 19.795 -5.547 1.00 42.23 C ATOM 0 HA PRO A 541 -4.557 22.663 -6.991 1.00 71.43 H new ATOM 0 HB2 PRO A 541 -2.418 21.733 -5.483 1.00 34.40 H new ATOM 0 HB3 PRO A 541 -3.897 22.263 -4.707 1.00 34.40 H new ATOM 0 HG2 PRO A 541 -2.999 19.463 -5.358 1.00 31.53 H new ATOM 0 HG3 PRO A 541 -3.761 20.063 -3.898 1.00 31.53 H new ATOM 0 HD2 PRO A 541 -5.181 18.739 -5.808 1.00 42.23 H new ATOM 0 HD3 PRO A 541 -5.912 19.997 -4.832 1.00 42.23 H new ATOM 22 N HIS A 542 -2.237 22.340 -8.100 1.00 32.54 N ATOM 23 CA HIS A 542 -1.218 22.203 -9.134 1.00 44.12 C ATOM 24 C HIS A 542 -0.017 21.421 -8.613 1.00 3.55 C ATOM 25 O HIS A 542 0.503 20.537 -9.293 1.00 23.20 O ATOM 26 CB HIS A 542 -0.771 23.581 -9.623 1.00 44.20 C ATOM 27 CG HIS A 542 0.318 23.528 -10.651 1.00 52.42 C ATOM 28 ND1 HIS A 542 1.350 24.440 -10.701 1.00 0.13 N ATOM 29 CD2 HIS A 542 0.530 22.663 -11.671 1.00 2.43 C ATOM 30 CE1 HIS A 542 2.151 24.140 -11.708 1.00 41.21 C ATOM 31 NE2 HIS A 542 1.676 23.066 -12.312 1.00 24.41 N ATOM 0 H HIS A 542 -2.177 23.204 -7.560 1.00 32.54 H new ATOM 0 HA HIS A 542 -1.653 21.652 -9.968 1.00 44.12 H new ATOM 0 HB2 HIS A 542 -1.630 24.105 -10.042 1.00 44.20 H new ATOM 0 HB3 HIS A 542 -0.426 24.166 -8.770 1.00 44.20 H new ATOM 0 HD2 HIS A 542 -0.086 21.815 -11.932 1.00 2.43 H new ATOM 0 HE1 HIS A 542 3.042 24.681 -11.989 1.00 41.21 H new ATOM 0 HE2 HIS A 542 2.093 22.610 -13.123 1.00 24.41 H new ATOM 40 N MET A 543 0.420 21.754 -7.402 1.00 24.43 N ATOM 41 CA MET A 543 1.560 21.082 -6.790 1.00 2.23 C ATOM 42 C MET A 543 1.342 19.573 -6.745 1.00 31.44 C ATOM 43 O MET A 543 0.206 19.101 -6.720 1.00 11.12 O ATOM 44 CB MET A 543 1.797 21.618 -5.377 1.00 21.42 C ATOM 45 CG MET A 543 2.476 22.978 -5.348 1.00 21.32 C ATOM 46 SD MET A 543 3.329 23.295 -3.791 1.00 41.23 S ATOM 47 CE MET A 543 3.319 25.086 -3.759 1.00 54.31 C ATOM 0 H MET A 543 0.002 22.485 -6.826 1.00 24.43 H new ATOM 0 HA MET A 543 2.440 21.285 -7.400 1.00 2.23 H new ATOM 0 HB2 MET A 543 0.841 21.688 -4.859 1.00 21.42 H new ATOM 0 HB3 MET A 543 2.408 20.904 -4.824 1.00 21.42 H new ATOM 0 HG2 MET A 543 3.191 23.041 -6.169 1.00 21.32 H new ATOM 0 HG3 MET A 543 1.731 23.756 -5.514 1.00 21.32 H new ATOM 0 HE1 MET A 543 3.813 25.436 -2.853 1.00 54.31 H new ATOM 0 HE2 MET A 543 3.848 25.468 -4.632 1.00 54.31 H new ATOM 0 HE3 MET A 543 2.290 25.444 -3.773 1.00 54.31 H new ATOM 57 N GLY A 544 2.438 18.820 -6.733 1.00 41.14 N ATOM 58 CA GLY A 544 2.344 17.373 -6.691 1.00 34.22 C ATOM 59 C GLY A 544 3.572 16.729 -6.078 1.00 53.11 C ATOM 60 O GLY A 544 4.211 15.881 -6.699 1.00 61.22 O ATOM 0 H GLY A 544 3.390 19.187 -6.752 1.00 41.14 H new ATOM 0 HA2 GLY A 544 1.463 17.086 -6.118 1.00 34.22 H new ATOM 0 HA3 GLY A 544 2.204 16.992 -7.703 1.00 34.22 H new ATOM 64 N ASP A 545 3.904 17.135 -4.858 1.00 30.13 N ATOM 65 CA ASP A 545 5.065 16.593 -4.161 1.00 72.53 C ATOM 66 C ASP A 545 4.856 15.120 -3.823 1.00 64.12 C ATOM 67 O ASP A 545 5.797 14.326 -3.855 1.00 73.32 O ATOM 68 CB ASP A 545 5.337 17.388 -2.883 1.00 35.24 C ATOM 69 CG ASP A 545 5.286 18.886 -3.112 1.00 21.12 C ATOM 70 OD1 ASP A 545 6.050 19.382 -3.966 1.00 23.20 O ATOM 71 OD2 ASP A 545 4.481 19.561 -2.438 1.00 5.43 O ATOM 0 H ASP A 545 3.386 17.838 -4.331 1.00 30.13 H new ATOM 0 HA ASP A 545 5.927 16.678 -4.822 1.00 72.53 H new ATOM 0 HB2 ASP A 545 4.603 17.114 -2.125 1.00 35.24 H new ATOM 0 HB3 ASP A 545 6.317 17.116 -2.491 1.00 35.24 H new ATOM 77 N LEU A 546 3.618 14.761 -3.499 1.00 1.01 N ATOM 78 CA LEU A 546 3.286 13.384 -3.154 1.00 61.13 C ATOM 79 C LEU A 546 3.632 12.437 -4.300 1.00 4.35 C ATOM 80 O LEU A 546 3.872 11.249 -4.084 1.00 72.21 O ATOM 81 CB LEU A 546 1.800 13.267 -2.813 1.00 13.21 C ATOM 82 CG LEU A 546 1.432 13.454 -1.340 1.00 41.42 C ATOM 83 CD1 LEU A 546 -0.007 13.925 -1.205 1.00 43.42 C ATOM 84 CD2 LEU A 546 1.647 12.160 -0.568 1.00 63.11 C ATOM 0 H LEU A 546 2.828 15.405 -3.468 1.00 1.01 H new ATOM 0 HA LEU A 546 3.876 13.102 -2.282 1.00 61.13 H new ATOM 0 HB2 LEU A 546 1.254 14.006 -3.400 1.00 13.21 H new ATOM 0 HB3 LEU A 546 1.451 12.285 -3.132 1.00 13.21 H new ATOM 0 HG LEU A 546 2.084 14.218 -0.917 1.00 41.42 H new ATOM 0 HD11 LEU A 546 -0.251 14.052 -0.150 1.00 43.42 H new ATOM 0 HD12 LEU A 546 -0.129 14.876 -1.723 1.00 43.42 H new ATOM 0 HD13 LEU A 546 -0.675 13.184 -1.645 1.00 43.42 H new ATOM 0 HD21 LEU A 546 1.380 12.312 0.478 1.00 63.11 H new ATOM 0 HD22 LEU A 546 1.021 11.375 -0.992 1.00 63.11 H new ATOM 0 HD23 LEU A 546 2.694 11.865 -0.636 1.00 63.11 H new ATOM 96 N ALA A 547 3.659 12.972 -5.515 1.00 15.42 N ATOM 97 CA ALA A 547 3.980 12.177 -6.693 1.00 65.54 C ATOM 98 C ALA A 547 5.326 11.478 -6.534 1.00 41.40 C ATOM 99 O ALA A 547 5.570 10.432 -7.135 1.00 62.01 O ATOM 100 CB ALA A 547 3.982 13.053 -7.937 1.00 72.45 C ATOM 0 H ALA A 547 3.462 13.954 -5.710 1.00 15.42 H new ATOM 0 HA ALA A 547 3.213 11.411 -6.803 1.00 65.54 H new ATOM 0 HB1 ALA A 547 4.223 12.446 -8.809 1.00 72.45 H new ATOM 0 HB2 ALA A 547 2.997 13.501 -8.068 1.00 72.45 H new ATOM 0 HB3 ALA A 547 4.727 13.841 -7.826 1.00 72.45 H new ATOM 106 N LYS A 548 6.199 12.064 -5.720 1.00 52.44 N ATOM 107 CA LYS A 548 7.521 11.498 -5.480 1.00 51.52 C ATOM 108 C LYS A 548 7.454 10.375 -4.451 1.00 31.10 C ATOM 109 O LYS A 548 8.291 9.473 -4.448 1.00 42.24 O ATOM 110 CB LYS A 548 8.484 12.587 -5.000 1.00 21.50 C ATOM 111 CG LYS A 548 9.946 12.185 -5.084 1.00 21.33 C ATOM 112 CD LYS A 548 10.497 12.371 -6.488 1.00 31.33 C ATOM 113 CE LYS A 548 10.929 13.809 -6.731 1.00 1.13 C ATOM 114 NZ LYS A 548 12.286 14.081 -6.180 1.00 62.43 N ATOM 0 H LYS A 548 6.014 12.931 -5.216 1.00 52.44 H new ATOM 0 HA LYS A 548 7.888 11.084 -6.419 1.00 51.52 H new ATOM 0 HB2 LYS A 548 8.328 13.486 -5.596 1.00 21.50 H new ATOM 0 HB3 LYS A 548 8.245 12.843 -3.968 1.00 21.50 H new ATOM 0 HG2 LYS A 548 10.529 12.781 -4.382 1.00 21.33 H new ATOM 0 HG3 LYS A 548 10.055 11.143 -4.785 1.00 21.33 H new ATOM 0 HD2 LYS A 548 11.346 11.705 -6.638 1.00 31.33 H new ATOM 0 HD3 LYS A 548 9.738 12.090 -7.218 1.00 31.33 H new ATOM 0 HE2 LYS A 548 10.924 14.014 -7.802 1.00 1.13 H new ATOM 0 HE3 LYS A 548 10.209 14.487 -6.273 1.00 1.13 H new ATOM 0 HZ1 LYS A 548 12.544 15.071 -6.366 1.00 62.43 H new ATOM 0 HZ2 LYS A 548 12.285 13.910 -5.154 1.00 62.43 H new ATOM 0 HZ3 LYS A 548 12.978 13.452 -6.635 1.00 62.43 H new ATOM 128 N GLU A 549 6.451 10.435 -3.580 1.00 10.22 N ATOM 129 CA GLU A 549 6.276 9.421 -2.547 1.00 33.40 C ATOM 130 C GLU A 549 5.847 8.090 -3.158 1.00 13.54 C ATOM 131 O GLU A 549 6.543 7.083 -3.030 1.00 62.21 O ATOM 132 CB GLU A 549 5.239 9.881 -1.521 1.00 1.04 C ATOM 133 CG GLU A 549 5.850 10.425 -0.240 1.00 30.11 C ATOM 134 CD GLU A 549 5.865 11.942 -0.198 1.00 60.43 C ATOM 135 OE1 GLU A 549 5.071 12.521 0.572 1.00 71.33 O ATOM 136 OE2 GLU A 549 6.669 12.547 -0.936 1.00 44.44 O ATOM 0 H GLU A 549 5.748 11.174 -3.569 1.00 10.22 H new ATOM 0 HA GLU A 549 7.234 9.279 -2.047 1.00 33.40 H new ATOM 0 HB2 GLU A 549 4.612 10.651 -1.970 1.00 1.04 H new ATOM 0 HB3 GLU A 549 4.587 9.043 -1.275 1.00 1.04 H new ATOM 0 HG2 GLU A 549 5.289 10.047 0.615 1.00 30.11 H new ATOM 0 HG3 GLU A 549 6.870 10.053 -0.142 1.00 30.11 H new ATOM 144 N ARG A 550 4.695 8.095 -3.821 1.00 54.43 N ATOM 145 CA ARG A 550 4.171 6.888 -4.451 1.00 40.43 C ATOM 146 C ARG A 550 5.195 6.287 -5.409 1.00 63.50 C ATOM 147 O ARG A 550 5.251 5.071 -5.590 1.00 24.23 O ATOM 148 CB ARG A 550 2.876 7.202 -5.203 1.00 24.42 C ATOM 149 CG ARG A 550 2.073 5.965 -5.573 1.00 64.11 C ATOM 150 CD ARG A 550 0.586 6.271 -5.657 1.00 0.14 C ATOM 151 NE ARG A 550 -0.089 5.443 -6.652 1.00 41.11 N ATOM 152 CZ ARG A 550 -1.382 5.544 -6.938 1.00 32.42 C ATOM 153 NH1 ARG A 550 -2.136 6.433 -6.307 1.00 60.52 N ATOM 154 NH2 ARG A 550 -1.923 4.754 -7.857 1.00 41.13 N ATOM 0 H ARG A 550 4.107 8.920 -3.936 1.00 54.43 H new ATOM 0 HA ARG A 550 3.961 6.160 -3.667 1.00 40.43 H new ATOM 0 HB2 ARG A 550 2.258 7.856 -4.588 1.00 24.42 H new ATOM 0 HB3 ARG A 550 3.118 7.754 -6.112 1.00 24.42 H new ATOM 0 HG2 ARG A 550 2.420 5.577 -6.531 1.00 64.11 H new ATOM 0 HG3 ARG A 550 2.244 5.184 -4.832 1.00 64.11 H new ATOM 0 HD2 ARG A 550 0.128 6.111 -4.681 1.00 0.14 H new ATOM 0 HD3 ARG A 550 0.446 7.323 -5.906 1.00 0.14 H new ATOM 0 HE ARG A 550 0.463 4.748 -7.155 1.00 41.11 H new ATOM 0 HH11 ARG A 550 -1.723 7.042 -5.600 1.00 60.52 H new ATOM 0 HH12 ARG A 550 -3.129 6.509 -6.528 1.00 60.52 H new ATOM 0 HH21 ARG A 550 -1.346 4.069 -8.344 1.00 41.13 H new ATOM 0 HH22 ARG A 550 -2.916 4.832 -8.076 1.00 41.13 H new ATOM 168 N ALA A 551 6.003 7.148 -6.021 1.00 74.51 N ATOM 169 CA ALA A 551 7.025 6.700 -6.959 1.00 0.44 C ATOM 170 C ALA A 551 8.052 5.810 -6.268 1.00 64.42 C ATOM 171 O ALA A 551 8.252 4.660 -6.657 1.00 11.25 O ATOM 172 CB ALA A 551 7.710 7.897 -7.602 1.00 51.33 C ATOM 0 H ALA A 551 5.969 8.158 -5.884 1.00 74.51 H new ATOM 0 HA ALA A 551 6.538 6.112 -7.736 1.00 0.44 H new ATOM 0 HB1 ALA A 551 8.471 7.549 -8.300 1.00 51.33 H new ATOM 0 HB2 ALA A 551 6.972 8.494 -8.138 1.00 51.33 H new ATOM 0 HB3 ALA A 551 8.178 8.507 -6.829 1.00 51.33 H new ATOM 178 N GLY A 552 8.702 6.350 -5.241 1.00 44.23 N ATOM 179 CA GLY A 552 9.702 5.590 -4.514 1.00 71.01 C ATOM 180 C GLY A 552 9.094 4.473 -3.689 1.00 74.21 C ATOM 181 O GLY A 552 9.567 3.337 -3.725 1.00 24.03 O ATOM 0 H GLY A 552 8.554 7.300 -4.900 1.00 44.23 H new ATOM 0 HA2 GLY A 552 10.418 5.168 -5.220 1.00 71.01 H new ATOM 0 HA3 GLY A 552 10.258 6.260 -3.859 1.00 71.01 H new ATOM 185 N VAL A 553 8.042 4.795 -2.943 1.00 25.34 N ATOM 186 CA VAL A 553 7.369 3.810 -2.104 1.00 14.21 C ATOM 187 C VAL A 553 6.999 2.567 -2.905 1.00 42.15 C ATOM 188 O VAL A 553 7.396 1.454 -2.563 1.00 23.42 O ATOM 189 CB VAL A 553 6.095 4.394 -1.466 1.00 31.00 C ATOM 190 CG1 VAL A 553 5.343 3.319 -0.696 1.00 1.11 C ATOM 191 CG2 VAL A 553 6.441 5.566 -0.562 1.00 11.42 C ATOM 0 H VAL A 553 7.637 5.730 -2.902 1.00 25.34 H new ATOM 0 HA VAL A 553 8.069 3.535 -1.315 1.00 14.21 H new ATOM 0 HB VAL A 553 5.445 4.759 -2.262 1.00 31.00 H new ATOM 0 HG11 VAL A 553 4.446 3.750 -0.252 1.00 1.11 H new ATOM 0 HG12 VAL A 553 5.061 2.515 -1.375 1.00 1.11 H new ATOM 0 HG13 VAL A 553 5.983 2.921 0.092 1.00 1.11 H new ATOM 0 HG21 VAL A 553 5.529 5.966 -0.120 1.00 11.42 H new ATOM 0 HG22 VAL A 553 7.111 5.230 0.230 1.00 11.42 H new ATOM 0 HG23 VAL A 553 6.932 6.344 -1.147 1.00 11.42 H new ATOM 201 N TYR A 554 6.238 2.765 -3.976 1.00 34.34 N ATOM 202 CA TYR A 554 5.813 1.660 -4.827 1.00 33.54 C ATOM 203 C TYR A 554 7.007 0.816 -5.262 1.00 51.54 C ATOM 204 O TYR A 554 6.939 -0.412 -5.290 1.00 63.41 O ATOM 205 CB TYR A 554 5.073 2.190 -6.056 1.00 33.55 C ATOM 206 CG TYR A 554 4.679 1.110 -7.038 1.00 14.13 C ATOM 207 CD1 TYR A 554 3.543 0.336 -6.831 1.00 54.43 C ATOM 208 CD2 TYR A 554 5.443 0.861 -8.171 1.00 2.43 C ATOM 209 CE1 TYR A 554 3.179 -0.652 -7.725 1.00 44.04 C ATOM 210 CE2 TYR A 554 5.086 -0.123 -9.071 1.00 25.31 C ATOM 211 CZ TYR A 554 3.954 -0.877 -8.845 1.00 34.23 C ATOM 212 OH TYR A 554 3.596 -1.861 -9.738 1.00 71.42 O ATOM 0 H TYR A 554 5.903 3.681 -4.275 1.00 34.34 H new ATOM 0 HA TYR A 554 5.138 1.029 -4.249 1.00 33.54 H new ATOM 0 HB2 TYR A 554 4.177 2.718 -5.730 1.00 33.55 H new ATOM 0 HB3 TYR A 554 5.705 2.918 -6.564 1.00 33.55 H new ATOM 0 HD1 TYR A 554 2.934 0.510 -5.956 1.00 54.43 H new ATOM 0 HD2 TYR A 554 6.332 1.447 -8.351 1.00 2.43 H new ATOM 0 HE1 TYR A 554 2.294 -1.245 -7.549 1.00 44.04 H new ATOM 0 HE2 TYR A 554 5.691 -0.301 -9.948 1.00 25.31 H new ATOM 0 HH TYR A 554 4.246 -1.889 -10.471 1.00 71.42 H new ATOM 222 N THR A 555 8.104 1.488 -5.603 1.00 70.03 N ATOM 223 CA THR A 555 9.314 0.803 -6.039 1.00 33.13 C ATOM 224 C THR A 555 9.773 -0.214 -5.000 1.00 25.51 C ATOM 225 O THR A 555 10.190 -1.322 -5.342 1.00 55.03 O ATOM 226 CB THR A 555 10.458 1.799 -6.306 1.00 43.42 C ATOM 227 OG1 THR A 555 10.013 2.827 -7.199 1.00 45.11 O ATOM 228 CG2 THR A 555 11.665 1.091 -6.901 1.00 71.55 C ATOM 0 H THR A 555 8.178 2.505 -5.585 1.00 70.03 H new ATOM 0 HA THR A 555 9.069 0.286 -6.967 1.00 33.13 H new ATOM 0 HB THR A 555 10.751 2.245 -5.356 1.00 43.42 H new ATOM 0 HG1 THR A 555 9.552 3.526 -6.690 1.00 45.11 H new ATOM 0 HG21 THR A 555 12.460 1.815 -7.081 1.00 71.55 H new ATOM 0 HG22 THR A 555 12.019 0.329 -6.207 1.00 71.55 H new ATOM 0 HG23 THR A 555 11.383 0.621 -7.843 1.00 71.55 H new ATOM 236 N LYS A 556 9.696 0.167 -3.730 1.00 43.31 N ATOM 237 CA LYS A 556 10.103 -0.712 -2.640 1.00 52.25 C ATOM 238 C LYS A 556 9.037 -1.769 -2.367 1.00 55.22 C ATOM 239 O LYS A 556 9.347 -2.883 -1.945 1.00 71.00 O ATOM 240 CB LYS A 556 10.365 0.103 -1.371 1.00 64.42 C ATOM 241 CG LYS A 556 11.830 0.443 -1.160 1.00 21.14 C ATOM 242 CD LYS A 556 12.208 1.740 -1.857 1.00 20.55 C ATOM 243 CE LYS A 556 13.616 2.181 -1.487 1.00 13.20 C ATOM 244 NZ LYS A 556 14.644 1.226 -1.982 1.00 62.30 N ATOM 0 H LYS A 556 9.355 1.080 -3.429 1.00 43.31 H new ATOM 0 HA LYS A 556 11.023 -1.216 -2.937 1.00 52.25 H new ATOM 0 HB2 LYS A 556 9.789 1.027 -1.417 1.00 64.42 H new ATOM 0 HB3 LYS A 556 10.002 -0.456 -0.508 1.00 64.42 H new ATOM 0 HG2 LYS A 556 12.034 0.530 -0.093 1.00 21.14 H new ATOM 0 HG3 LYS A 556 12.451 -0.369 -1.539 1.00 21.14 H new ATOM 0 HD2 LYS A 556 12.139 1.608 -2.937 1.00 20.55 H new ATOM 0 HD3 LYS A 556 11.498 2.521 -1.585 1.00 20.55 H new ATOM 0 HE2 LYS A 556 13.808 3.170 -1.904 1.00 13.20 H new ATOM 0 HE3 LYS A 556 13.696 2.271 -0.404 1.00 13.20 H new ATOM 0 HZ1 LYS A 556 15.592 1.596 -1.769 1.00 62.30 H new ATOM 0 HZ2 LYS A 556 14.518 0.306 -1.513 1.00 62.30 H new ATOM 0 HZ3 LYS A 556 14.541 1.108 -3.010 1.00 62.30 H new ATOM 258 N LEU A 557 7.781 -1.412 -2.612 1.00 12.41 N ATOM 259 CA LEU A 557 6.668 -2.331 -2.394 1.00 1.45 C ATOM 260 C LEU A 557 6.865 -3.621 -3.182 1.00 43.13 C ATOM 261 O LEU A 557 6.423 -4.691 -2.762 1.00 20.52 O ATOM 262 CB LEU A 557 5.350 -1.670 -2.797 1.00 13.32 C ATOM 263 CG LEU A 557 4.541 -1.039 -1.663 1.00 10.32 C ATOM 264 CD1 LEU A 557 4.228 -2.072 -0.592 1.00 14.41 C ATOM 265 CD2 LEU A 557 5.293 0.142 -1.065 1.00 51.21 C ATOM 0 H LEU A 557 7.507 -0.494 -2.961 1.00 12.41 H new ATOM 0 HA LEU A 557 6.634 -2.577 -1.333 1.00 1.45 H new ATOM 0 HB2 LEU A 557 5.565 -0.898 -3.536 1.00 13.32 H new ATOM 0 HB3 LEU A 557 4.727 -2.417 -3.288 1.00 13.32 H new ATOM 0 HG LEU A 557 3.599 -0.674 -2.073 1.00 10.32 H new ATOM 0 HD11 LEU A 557 3.652 -1.605 0.207 1.00 14.41 H new ATOM 0 HD12 LEU A 557 3.649 -2.885 -1.029 1.00 14.41 H new ATOM 0 HD13 LEU A 557 5.159 -2.467 -0.185 1.00 14.41 H new ATOM 0 HD21 LEU A 557 4.703 0.579 -0.260 1.00 51.21 H new ATOM 0 HD22 LEU A 557 6.250 -0.198 -0.670 1.00 51.21 H new ATOM 0 HD23 LEU A 557 5.465 0.892 -1.837 1.00 51.21 H new ATOM 277 N CYS A 558 7.534 -3.513 -4.326 1.00 74.14 N ATOM 278 CA CYS A 558 7.791 -4.672 -5.173 1.00 71.41 C ATOM 279 C CYS A 558 8.709 -5.667 -4.470 1.00 35.21 C ATOM 280 O CYS A 558 8.828 -6.819 -4.886 1.00 61.11 O ATOM 281 CB CYS A 558 8.415 -4.233 -6.498 1.00 43.22 C ATOM 282 SG CYS A 558 7.483 -2.948 -7.364 1.00 12.22 S ATOM 0 H CYS A 558 7.908 -2.635 -4.687 1.00 74.14 H new ATOM 0 HA CYS A 558 6.839 -5.163 -5.373 1.00 71.41 H new ATOM 0 HB2 CYS A 558 9.425 -3.869 -6.309 1.00 43.22 H new ATOM 0 HB3 CYS A 558 8.506 -5.102 -7.150 1.00 43.22 H new ATOM 0 HG CYS A 558 7.283 -1.943 -6.564 1.00 12.22 H new ATOM 288 N GLY A 559 9.356 -5.214 -3.401 1.00 34.12 N ATOM 289 CA GLY A 559 10.256 -6.075 -2.657 1.00 74.34 C ATOM 290 C GLY A 559 9.693 -6.476 -1.308 1.00 72.23 C ATOM 291 O GLY A 559 10.329 -7.214 -0.556 1.00 44.24 O ATOM 0 H GLY A 559 9.273 -4.265 -3.037 1.00 34.12 H new ATOM 0 HA2 GLY A 559 10.462 -6.971 -3.242 1.00 74.34 H new ATOM 0 HA3 GLY A 559 11.207 -5.563 -2.512 1.00 74.34 H new ATOM 295 N VAL A 560 8.496 -5.988 -0.999 1.00 74.55 N ATOM 296 CA VAL A 560 7.847 -6.299 0.268 1.00 22.04 C ATOM 297 C VAL A 560 6.536 -7.044 0.047 1.00 13.41 C ATOM 298 O VAL A 560 6.103 -7.827 0.892 1.00 20.13 O ATOM 299 CB VAL A 560 7.569 -5.022 1.084 1.00 32.33 C ATOM 300 CG1 VAL A 560 7.118 -5.377 2.493 1.00 42.32 C ATOM 301 CG2 VAL A 560 8.801 -4.132 1.117 1.00 23.22 C ATOM 0 H VAL A 560 7.956 -5.375 -1.610 1.00 74.55 H new ATOM 0 HA VAL A 560 8.533 -6.936 0.826 1.00 22.04 H new ATOM 0 HB VAL A 560 6.764 -4.469 0.599 1.00 32.33 H new ATOM 0 HG11 VAL A 560 6.926 -4.463 3.055 1.00 42.32 H new ATOM 0 HG12 VAL A 560 6.205 -5.971 2.444 1.00 42.32 H new ATOM 0 HG13 VAL A 560 7.899 -5.952 2.991 1.00 42.32 H new ATOM 0 HG21 VAL A 560 8.586 -3.235 1.698 1.00 23.22 H new ATOM 0 HG22 VAL A 560 9.628 -4.673 1.577 1.00 23.22 H new ATOM 0 HG23 VAL A 560 9.073 -3.850 0.100 1.00 23.22 H new ATOM 311 N PHE A 561 5.906 -6.794 -1.097 1.00 62.31 N ATOM 312 CA PHE A 561 4.642 -7.441 -1.430 1.00 63.31 C ATOM 313 C PHE A 561 4.413 -7.442 -2.939 1.00 42.04 C ATOM 314 O PHE A 561 5.003 -6.658 -3.682 1.00 51.43 O ATOM 315 CB PHE A 561 3.481 -6.734 -0.727 1.00 64.34 C ATOM 316 CG PHE A 561 3.307 -7.148 0.706 1.00 74.10 C ATOM 317 CD1 PHE A 561 2.683 -8.345 1.023 1.00 4.32 C ATOM 318 CD2 PHE A 561 3.764 -6.342 1.734 1.00 2.35 C ATOM 319 CE1 PHE A 561 2.521 -8.730 2.341 1.00 41.32 C ATOM 320 CE2 PHE A 561 3.605 -6.722 3.054 1.00 42.41 C ATOM 321 CZ PHE A 561 2.982 -7.916 3.358 1.00 12.11 C ATOM 0 H PHE A 561 6.250 -6.149 -1.808 1.00 62.31 H new ATOM 0 HA PHE A 561 4.690 -8.474 -1.086 1.00 63.31 H new ATOM 0 HB2 PHE A 561 3.643 -5.657 -0.769 1.00 64.34 H new ATOM 0 HB3 PHE A 561 2.559 -6.939 -1.271 1.00 64.34 H new ATOM 0 HD1 PHE A 561 2.319 -8.984 0.232 1.00 4.32 H new ATOM 0 HD2 PHE A 561 4.250 -5.406 1.503 1.00 2.35 H new ATOM 0 HE1 PHE A 561 2.035 -9.666 2.575 1.00 41.32 H new ATOM 0 HE2 PHE A 561 3.968 -6.085 3.847 1.00 42.41 H new ATOM 0 HZ PHE A 561 2.855 -8.213 4.389 1.00 12.11 H new ATOM 331 N PRO A 562 3.537 -8.345 -3.404 1.00 1.25 N ATOM 332 CA PRO A 562 3.209 -8.471 -4.827 1.00 3.55 C ATOM 333 C PRO A 562 2.408 -7.280 -5.344 1.00 60.43 C ATOM 334 O PRO A 562 1.939 -6.437 -4.580 1.00 43.20 O ATOM 335 CB PRO A 562 2.368 -9.748 -4.886 1.00 22.54 C ATOM 336 CG PRO A 562 1.777 -9.875 -3.524 1.00 54.40 C ATOM 337 CD PRO A 562 2.798 -9.311 -2.575 1.00 34.53 C ATOM 0 HA PRO A 562 4.103 -8.505 -5.450 1.00 3.55 H new ATOM 0 HB2 PRO A 562 1.593 -9.677 -5.649 1.00 22.54 H new ATOM 0 HB3 PRO A 562 2.981 -10.615 -5.134 1.00 22.54 H new ATOM 0 HG2 PRO A 562 0.836 -9.329 -3.454 1.00 54.40 H new ATOM 0 HG3 PRO A 562 1.559 -10.917 -3.289 1.00 54.40 H new ATOM 0 HD2 PRO A 562 2.327 -8.828 -1.719 1.00 34.53 H new ATOM 0 HD3 PRO A 562 3.454 -10.088 -2.182 1.00 34.53 H new ATOM 345 N PRO A 563 2.245 -7.209 -6.674 1.00 60.41 N ATOM 346 CA PRO A 563 1.499 -6.128 -7.324 1.00 2.44 C ATOM 347 C PRO A 563 0.002 -6.208 -7.045 1.00 71.10 C ATOM 348 O PRO A 563 -0.633 -5.206 -6.716 1.00 55.42 O ATOM 349 CB PRO A 563 1.779 -6.347 -8.812 1.00 72.32 C ATOM 350 CG PRO A 563 2.090 -7.800 -8.928 1.00 42.35 C ATOM 351 CD PRO A 563 2.776 -8.181 -7.646 1.00 33.20 C ATOM 0 HA PRO A 563 1.804 -5.147 -6.960 1.00 2.44 H new ATOM 0 HB2 PRO A 563 0.917 -6.077 -9.421 1.00 72.32 H new ATOM 0 HB3 PRO A 563 2.614 -5.735 -9.152 1.00 72.32 H new ATOM 0 HG2 PRO A 563 1.181 -8.383 -9.072 1.00 42.35 H new ATOM 0 HG3 PRO A 563 2.733 -7.994 -9.787 1.00 42.35 H new ATOM 0 HD2 PRO A 563 2.546 -9.206 -7.356 1.00 33.20 H new ATOM 0 HD3 PRO A 563 3.860 -8.110 -7.734 1.00 33.20 H new ATOM 359 N HIS A 564 -0.557 -7.406 -7.179 1.00 61.31 N ATOM 360 CA HIS A 564 -1.980 -7.617 -6.942 1.00 35.22 C ATOM 361 C HIS A 564 -2.387 -7.087 -5.570 1.00 4.53 C ATOM 362 O HIS A 564 -3.534 -6.689 -5.360 1.00 43.34 O ATOM 363 CB HIS A 564 -2.322 -9.103 -7.048 1.00 34.34 C ATOM 364 CG HIS A 564 -2.231 -9.834 -5.744 1.00 2.15 C ATOM 365 ND1 HIS A 564 -1.059 -10.384 -5.271 1.00 42.11 N ATOM 366 CD2 HIS A 564 -3.174 -10.102 -4.810 1.00 54.33 C ATOM 367 CE1 HIS A 564 -1.285 -10.961 -4.104 1.00 2.21 C ATOM 368 NE2 HIS A 564 -2.561 -10.804 -3.801 1.00 53.35 N ATOM 0 H HIS A 564 -0.046 -8.246 -7.451 1.00 61.31 H new ATOM 0 HA HIS A 564 -2.534 -7.069 -7.704 1.00 35.22 H new ATOM 0 HB2 HIS A 564 -3.332 -9.207 -7.444 1.00 34.34 H new ATOM 0 HB3 HIS A 564 -1.649 -9.572 -7.766 1.00 34.34 H new ATOM 0 HD2 HIS A 564 -4.215 -9.817 -4.851 1.00 54.33 H new ATOM 0 HE1 HIS A 564 -0.551 -11.474 -3.500 1.00 2.21 H new ATOM 0 HE2 HIS A 564 -3.017 -11.148 -2.956 1.00 53.35 H new ATOM 377 N LEU A 565 -1.439 -7.083 -4.638 1.00 34.32 N ATOM 378 CA LEU A 565 -1.698 -6.602 -3.285 1.00 75.42 C ATOM 379 C LEU A 565 -1.562 -5.085 -3.212 1.00 20.24 C ATOM 380 O LEU A 565 -2.518 -4.380 -2.886 1.00 65.00 O ATOM 381 CB LEU A 565 -0.736 -7.261 -2.296 1.00 44.53 C ATOM 382 CG LEU A 565 -1.293 -8.445 -1.503 1.00 51.53 C ATOM 383 CD1 LEU A 565 -0.227 -9.019 -0.583 1.00 73.14 C ATOM 384 CD2 LEU A 565 -2.518 -8.022 -0.706 1.00 20.15 C ATOM 0 H LEU A 565 -0.485 -7.407 -4.795 1.00 34.32 H new ATOM 0 HA LEU A 565 -2.721 -6.869 -3.019 1.00 75.42 H new ATOM 0 HB2 LEU A 565 0.143 -7.599 -2.845 1.00 44.53 H new ATOM 0 HB3 LEU A 565 -0.398 -6.503 -1.589 1.00 44.53 H new ATOM 0 HG LEU A 565 -1.592 -9.222 -2.206 1.00 51.53 H new ATOM 0 HD11 LEU A 565 -0.641 -9.860 -0.027 1.00 73.14 H new ATOM 0 HD12 LEU A 565 0.622 -9.359 -1.177 1.00 73.14 H new ATOM 0 HD13 LEU A 565 0.104 -8.250 0.115 1.00 73.14 H new ATOM 0 HD21 LEU A 565 -2.902 -8.876 -0.148 1.00 20.15 H new ATOM 0 HD22 LEU A 565 -2.244 -7.228 -0.011 1.00 20.15 H new ATOM 0 HD23 LEU A 565 -3.287 -7.658 -1.387 1.00 20.15 H new ATOM 396 N VAL A 566 -0.368 -4.587 -3.519 1.00 34.31 N ATOM 397 CA VAL A 566 -0.107 -3.154 -3.490 1.00 55.45 C ATOM 398 C VAL A 566 -1.163 -2.387 -4.279 1.00 62.03 C ATOM 399 O VAL A 566 -1.771 -1.446 -3.770 1.00 62.03 O ATOM 400 CB VAL A 566 1.285 -2.825 -4.063 1.00 52.01 C ATOM 401 CG1 VAL A 566 1.524 -1.323 -4.056 1.00 0.23 C ATOM 402 CG2 VAL A 566 2.367 -3.549 -3.278 1.00 23.21 C ATOM 0 H VAL A 566 0.434 -5.156 -3.791 1.00 34.31 H new ATOM 0 HA VAL A 566 -0.144 -2.847 -2.445 1.00 55.45 H new ATOM 0 HB VAL A 566 1.325 -3.170 -5.096 1.00 52.01 H new ATOM 0 HG11 VAL A 566 2.512 -1.110 -4.464 1.00 0.23 H new ATOM 0 HG12 VAL A 566 0.766 -0.831 -4.665 1.00 0.23 H new ATOM 0 HG13 VAL A 566 1.466 -0.950 -3.033 1.00 0.23 H new ATOM 0 HG21 VAL A 566 3.344 -3.306 -3.696 1.00 23.21 H new ATOM 0 HG22 VAL A 566 2.330 -3.236 -2.234 1.00 23.21 H new ATOM 0 HG23 VAL A 566 2.203 -4.625 -3.340 1.00 23.21 H new ATOM 412 N GLU A 567 -1.376 -2.797 -5.526 1.00 74.21 N ATOM 413 CA GLU A 567 -2.359 -2.149 -6.385 1.00 53.21 C ATOM 414 C GLU A 567 -3.714 -2.055 -5.689 1.00 65.22 C ATOM 415 O GLU A 567 -4.486 -1.129 -5.932 1.00 42.14 O ATOM 416 CB GLU A 567 -2.502 -2.914 -7.703 1.00 51.33 C ATOM 417 CG GLU A 567 -1.369 -2.656 -8.682 1.00 64.33 C ATOM 418 CD GLU A 567 -1.801 -2.809 -10.128 1.00 55.10 C ATOM 419 OE1 GLU A 567 -1.984 -3.961 -10.573 1.00 61.20 O ATOM 420 OE2 GLU A 567 -1.957 -1.777 -10.813 1.00 31.44 O ATOM 0 H GLU A 567 -0.881 -3.574 -5.963 1.00 74.21 H new ATOM 0 HA GLU A 567 -2.008 -1.139 -6.596 1.00 53.21 H new ATOM 0 HB2 GLU A 567 -2.551 -3.982 -7.490 1.00 51.33 H new ATOM 0 HB3 GLU A 567 -3.446 -2.639 -8.173 1.00 51.33 H new ATOM 0 HG2 GLU A 567 -0.982 -1.649 -8.527 1.00 64.33 H new ATOM 0 HG3 GLU A 567 -0.551 -3.347 -8.476 1.00 64.33 H new ATOM 428 N ALA A 568 -3.994 -3.023 -4.823 1.00 34.31 N ATOM 429 CA ALA A 568 -5.254 -3.051 -4.090 1.00 41.34 C ATOM 430 C ALA A 568 -5.190 -2.161 -2.853 1.00 44.11 C ATOM 431 O ALA A 568 -5.979 -1.228 -2.705 1.00 63.35 O ATOM 432 CB ALA A 568 -5.605 -4.478 -3.698 1.00 32.51 C ATOM 0 H ALA A 568 -3.366 -3.798 -4.612 1.00 34.31 H new ATOM 0 HA ALA A 568 -6.035 -2.663 -4.744 1.00 41.34 H new ATOM 0 HB1 ALA A 568 -6.548 -4.484 -3.151 1.00 32.51 H new ATOM 0 HB2 ALA A 568 -5.702 -5.088 -4.596 1.00 32.51 H new ATOM 0 HB3 ALA A 568 -4.817 -4.886 -3.065 1.00 32.51 H new ATOM 438 N VAL A 569 -4.244 -2.457 -1.966 1.00 50.03 N ATOM 439 CA VAL A 569 -4.077 -1.683 -0.742 1.00 42.12 C ATOM 440 C VAL A 569 -3.945 -0.195 -1.046 1.00 12.23 C ATOM 441 O VAL A 569 -4.377 0.649 -0.261 1.00 23.20 O ATOM 442 CB VAL A 569 -2.839 -2.145 0.049 1.00 65.44 C ATOM 443 CG1 VAL A 569 -2.768 -1.439 1.393 1.00 12.35 C ATOM 444 CG2 VAL A 569 -2.857 -3.656 0.232 1.00 1.41 C ATOM 0 H VAL A 569 -3.583 -3.226 -2.073 1.00 50.03 H new ATOM 0 HA VAL A 569 -4.969 -1.850 -0.138 1.00 42.12 H new ATOM 0 HB VAL A 569 -1.948 -1.881 -0.520 1.00 65.44 H new ATOM 0 HG11 VAL A 569 -1.887 -1.779 1.937 1.00 12.35 H new ATOM 0 HG12 VAL A 569 -2.704 -0.362 1.235 1.00 12.35 H new ATOM 0 HG13 VAL A 569 -3.662 -1.669 1.972 1.00 12.35 H new ATOM 0 HG21 VAL A 569 -1.975 -3.965 0.793 1.00 1.41 H new ATOM 0 HG22 VAL A 569 -3.755 -3.946 0.778 1.00 1.41 H new ATOM 0 HG23 VAL A 569 -2.854 -4.141 -0.744 1.00 1.41 H new ATOM 454 N MET A 570 -3.346 0.120 -2.190 1.00 21.53 N ATOM 455 CA MET A 570 -3.159 1.506 -2.598 1.00 1.42 C ATOM 456 C MET A 570 -4.498 2.232 -2.684 1.00 43.53 C ATOM 457 O MET A 570 -4.564 3.452 -2.530 1.00 41.35 O ATOM 458 CB MET A 570 -2.443 1.571 -3.949 1.00 12.31 C ATOM 459 CG MET A 570 -0.928 1.509 -3.837 1.00 34.02 C ATOM 460 SD MET A 570 -0.103 2.679 -4.932 1.00 13.34 S ATOM 461 CE MET A 570 1.505 2.796 -4.152 1.00 64.24 C ATOM 0 H MET A 570 -2.982 -0.567 -2.850 1.00 21.53 H new ATOM 0 HA MET A 570 -2.545 2.000 -1.846 1.00 1.42 H new ATOM 0 HB2 MET A 570 -2.787 0.747 -4.573 1.00 12.31 H new ATOM 0 HB3 MET A 570 -2.724 2.494 -4.456 1.00 12.31 H new ATOM 0 HG2 MET A 570 -0.635 1.712 -2.807 1.00 34.02 H new ATOM 0 HG3 MET A 570 -0.591 0.499 -4.071 1.00 34.02 H new ATOM 0 HE1 MET A 570 1.604 3.767 -3.666 1.00 64.24 H new ATOM 0 HE2 MET A 570 1.607 2.006 -3.408 1.00 64.24 H new ATOM 0 HE3 MET A 570 2.284 2.687 -4.906 1.00 64.24 H new ATOM 471 N ARG A 571 -5.563 1.476 -2.930 1.00 23.20 N ATOM 472 CA ARG A 571 -6.899 2.048 -3.038 1.00 61.24 C ATOM 473 C ARG A 571 -7.483 2.329 -1.657 1.00 23.11 C ATOM 474 O ARG A 571 -8.474 3.047 -1.525 1.00 70.11 O ATOM 475 CB ARG A 571 -7.820 1.103 -3.811 1.00 33.42 C ATOM 476 CG ARG A 571 -9.127 1.747 -4.245 1.00 64.23 C ATOM 477 CD ARG A 571 -10.245 1.463 -3.255 1.00 12.51 C ATOM 478 NE ARG A 571 -11.504 1.151 -3.925 1.00 42.10 N ATOM 479 CZ ARG A 571 -12.207 2.039 -4.620 1.00 32.23 C ATOM 480 NH1 ARG A 571 -11.775 3.287 -4.734 1.00 54.34 N ATOM 481 NH2 ARG A 571 -13.344 1.678 -5.202 1.00 11.12 N ATOM 0 H ARG A 571 -5.526 0.465 -3.058 1.00 23.20 H new ATOM 0 HA ARG A 571 -6.821 2.991 -3.579 1.00 61.24 H new ATOM 0 HB2 ARG A 571 -7.294 0.738 -4.693 1.00 33.42 H new ATOM 0 HB3 ARG A 571 -8.041 0.235 -3.189 1.00 33.42 H new ATOM 0 HG2 ARG A 571 -8.989 2.824 -4.340 1.00 64.23 H new ATOM 0 HG3 ARG A 571 -9.408 1.374 -5.230 1.00 64.23 H new ATOM 0 HD2 ARG A 571 -9.959 0.629 -2.615 1.00 12.51 H new ATOM 0 HD3 ARG A 571 -10.384 2.329 -2.607 1.00 12.51 H new ATOM 0 HE ARG A 571 -11.864 0.199 -3.856 1.00 42.10 H new ATOM 0 HH11 ARG A 571 -10.902 3.567 -4.288 1.00 54.34 H new ATOM 0 HH12 ARG A 571 -12.316 3.967 -5.268 1.00 54.34 H new ATOM 0 HH21 ARG A 571 -13.679 0.718 -5.116 1.00 11.12 H new ATOM 0 HH22 ARG A 571 -13.883 2.360 -5.735 1.00 11.12 H new ATOM 495 N ARG A 572 -6.862 1.758 -0.630 1.00 24.02 N ATOM 496 CA ARG A 572 -7.321 1.945 0.741 1.00 10.31 C ATOM 497 C ARG A 572 -6.721 3.212 1.347 1.00 20.21 C ATOM 498 O ARG A 572 -7.417 3.989 1.999 1.00 11.42 O ATOM 499 CB ARG A 572 -6.950 0.733 1.596 1.00 3.32 C ATOM 500 CG ARG A 572 -7.626 0.717 2.957 1.00 75.43 C ATOM 501 CD ARG A 572 -7.501 -0.644 3.625 1.00 15.12 C ATOM 502 NE ARG A 572 -8.432 -0.793 4.741 1.00 71.22 N ATOM 503 CZ ARG A 572 -8.335 -1.753 5.655 1.00 12.51 C ATOM 504 NH1 ARG A 572 -7.354 -2.641 5.586 1.00 31.34 N ATOM 505 NH2 ARG A 572 -9.221 -1.823 6.640 1.00 34.11 N ATOM 0 H ARG A 572 -6.039 1.162 -0.722 1.00 24.02 H new ATOM 0 HA ARG A 572 -8.406 2.049 0.723 1.00 10.31 H new ATOM 0 HB2 ARG A 572 -7.216 -0.176 1.057 1.00 3.32 H new ATOM 0 HB3 ARG A 572 -5.869 0.715 1.736 1.00 3.32 H new ATOM 0 HG2 ARG A 572 -7.179 1.479 3.595 1.00 75.43 H new ATOM 0 HG3 ARG A 572 -8.680 0.973 2.844 1.00 75.43 H new ATOM 0 HD2 ARG A 572 -7.688 -1.427 2.890 1.00 15.12 H new ATOM 0 HD3 ARG A 572 -6.481 -0.780 3.983 1.00 15.12 H new ATOM 0 HE ARG A 572 -9.198 -0.124 4.823 1.00 71.22 H new ATOM 0 HH11 ARG A 572 -6.671 -2.589 4.830 1.00 31.34 H new ATOM 0 HH12 ARG A 572 -7.282 -3.377 6.289 1.00 31.34 H new ATOM 0 HH21 ARG A 572 -9.977 -1.140 6.696 1.00 34.11 H new ATOM 0 HH22 ARG A 572 -9.147 -2.560 7.341 1.00 34.11 H new ATOM 519 N PHE A 573 -5.425 3.410 1.127 1.00 35.10 N ATOM 520 CA PHE A 573 -4.732 4.580 1.653 1.00 72.15 C ATOM 521 C PHE A 573 -4.219 5.463 0.518 1.00 25.25 C ATOM 522 O PHE A 573 -3.018 5.550 0.261 1.00 3.32 O ATOM 523 CB PHE A 573 -3.567 4.150 2.546 1.00 0.12 C ATOM 524 CG PHE A 573 -4.000 3.639 3.891 1.00 70.32 C ATOM 525 CD1 PHE A 573 -4.790 2.505 3.993 1.00 35.05 C ATOM 526 CD2 PHE A 573 -3.619 4.291 5.051 1.00 3.31 C ATOM 527 CE1 PHE A 573 -5.190 2.030 5.229 1.00 55.54 C ATOM 528 CE2 PHE A 573 -4.015 3.822 6.289 1.00 52.21 C ATOM 529 CZ PHE A 573 -4.803 2.691 6.378 1.00 45.22 C ATOM 0 H PHE A 573 -4.834 2.776 0.589 1.00 35.10 H new ATOM 0 HA PHE A 573 -5.442 5.156 2.246 1.00 72.15 H new ATOM 0 HB2 PHE A 573 -2.997 3.373 2.037 1.00 0.12 H new ATOM 0 HB3 PHE A 573 -2.896 4.997 2.687 1.00 0.12 H new ATOM 0 HD1 PHE A 573 -5.097 1.986 3.097 1.00 35.05 H new ATOM 0 HD2 PHE A 573 -3.005 5.177 4.988 1.00 3.31 H new ATOM 0 HE1 PHE A 573 -5.804 1.144 5.295 1.00 55.54 H new ATOM 0 HE2 PHE A 573 -3.709 4.339 7.186 1.00 52.21 H new ATOM 0 HZ PHE A 573 -5.116 2.324 7.344 1.00 45.22 H new ATOM 539 N PRO A 574 -5.149 6.132 -0.178 1.00 54.31 N ATOM 540 CA PRO A 574 -4.816 7.019 -1.296 1.00 41.31 C ATOM 541 C PRO A 574 -4.106 8.288 -0.836 1.00 52.23 C ATOM 542 O PRO A 574 -3.621 9.069 -1.655 1.00 44.45 O ATOM 543 CB PRO A 574 -6.181 7.359 -1.899 1.00 55.11 C ATOM 544 CG PRO A 574 -7.144 7.190 -0.775 1.00 14.52 C ATOM 545 CD PRO A 574 -6.599 6.075 0.074 1.00 61.15 C ATOM 0 HA PRO A 574 -4.130 6.548 -2.000 1.00 41.31 H new ATOM 0 HB2 PRO A 574 -6.200 8.377 -2.287 1.00 55.11 H new ATOM 0 HB3 PRO A 574 -6.423 6.697 -2.730 1.00 55.11 H new ATOM 0 HG2 PRO A 574 -7.236 8.110 -0.198 1.00 14.52 H new ATOM 0 HG3 PRO A 574 -8.139 6.946 -1.147 1.00 14.52 H new ATOM 0 HD2 PRO A 574 -6.830 6.224 1.129 1.00 61.15 H new ATOM 0 HD3 PRO A 574 -7.019 5.110 -0.211 1.00 61.15 H new ATOM 553 N GLN A 575 -4.048 8.487 0.476 1.00 31.31 N ATOM 554 CA GLN A 575 -3.397 9.662 1.043 1.00 50.22 C ATOM 555 C GLN A 575 -2.126 9.273 1.791 1.00 51.13 C ATOM 556 O GLN A 575 -1.301 10.126 2.120 1.00 2.33 O ATOM 557 CB GLN A 575 -4.353 10.396 1.985 1.00 14.53 C ATOM 558 CG GLN A 575 -4.584 9.673 3.302 1.00 32.34 C ATOM 559 CD GLN A 575 -5.621 10.357 4.170 1.00 41.31 C ATOM 560 OE1 GLN A 575 -5.291 11.207 4.998 1.00 72.14 O ATOM 561 NE2 GLN A 575 -6.884 9.989 3.985 1.00 1.43 N ATOM 0 H GLN A 575 -4.444 7.850 1.167 1.00 31.31 H new ATOM 0 HA GLN A 575 -3.125 10.326 0.223 1.00 50.22 H new ATOM 0 HB2 GLN A 575 -3.955 11.390 2.191 1.00 14.53 H new ATOM 0 HB3 GLN A 575 -5.311 10.533 1.483 1.00 14.53 H new ATOM 0 HG2 GLN A 575 -4.903 8.651 3.100 1.00 32.34 H new ATOM 0 HG3 GLN A 575 -3.643 9.611 3.848 1.00 32.34 H new ATOM 0 HE21 GLN A 575 -7.112 9.280 3.287 1.00 1.43 H new ATOM 0 HE22 GLN A 575 -7.626 10.415 4.540 1.00 1.43 H new ATOM 570 N LEU A 576 -1.974 7.980 2.056 1.00 73.13 N ATOM 571 CA LEU A 576 -0.803 7.477 2.765 1.00 53.13 C ATOM 572 C LEU A 576 -0.191 6.289 2.030 1.00 22.33 C ATOM 573 O LEU A 576 -0.707 5.173 2.093 1.00 33.12 O ATOM 574 CB LEU A 576 -1.182 7.070 4.190 1.00 23.33 C ATOM 575 CG LEU A 576 -0.579 7.917 5.312 1.00 33.43 C ATOM 576 CD1 LEU A 576 -0.997 7.376 6.671 1.00 24.54 C ATOM 577 CD2 LEU A 576 0.936 7.957 5.194 1.00 4.15 C ATOM 0 H LEU A 576 -2.647 7.261 1.790 1.00 73.13 H new ATOM 0 HA LEU A 576 -0.062 8.276 2.807 1.00 53.13 H new ATOM 0 HB2 LEU A 576 -2.268 7.104 4.280 1.00 23.33 H new ATOM 0 HB3 LEU A 576 -0.882 6.033 4.343 1.00 23.33 H new ATOM 0 HG LEU A 576 -0.957 8.935 5.217 1.00 33.43 H new ATOM 0 HD11 LEU A 576 -0.559 7.990 7.458 1.00 24.54 H new ATOM 0 HD12 LEU A 576 -2.084 7.401 6.754 1.00 24.54 H new ATOM 0 HD13 LEU A 576 -0.648 6.349 6.777 1.00 24.54 H new ATOM 0 HD21 LEU A 576 1.348 8.564 6.000 1.00 4.15 H new ATOM 0 HD22 LEU A 576 1.333 6.944 5.263 1.00 4.15 H new ATOM 0 HD23 LEU A 576 1.215 8.392 4.234 1.00 4.15 H new ATOM 589 N LEU A 577 0.914 6.536 1.336 1.00 43.12 N ATOM 590 CA LEU A 577 1.600 5.486 0.590 1.00 23.33 C ATOM 591 C LEU A 577 2.987 5.223 1.170 1.00 10.23 C ATOM 592 O LEU A 577 3.946 5.925 0.854 1.00 62.13 O ATOM 593 CB LEU A 577 1.718 5.874 -0.885 1.00 20.35 C ATOM 594 CG LEU A 577 0.445 5.729 -1.720 1.00 23.54 C ATOM 595 CD1 LEU A 577 -0.109 4.316 -1.608 1.00 4.25 C ATOM 596 CD2 LEU A 577 -0.597 6.748 -1.286 1.00 13.24 C ATOM 0 H LEU A 577 1.355 7.454 1.274 1.00 43.12 H new ATOM 0 HA LEU A 577 1.011 4.572 0.673 1.00 23.33 H new ATOM 0 HB2 LEU A 577 2.050 6.911 -0.942 1.00 20.35 H new ATOM 0 HB3 LEU A 577 2.498 5.264 -1.339 1.00 20.35 H new ATOM 0 HG LEU A 577 0.695 5.918 -2.764 1.00 23.54 H new ATOM 0 HD11 LEU A 577 -1.015 4.232 -2.209 1.00 4.25 H new ATOM 0 HD12 LEU A 577 0.634 3.604 -1.969 1.00 4.25 H new ATOM 0 HD13 LEU A 577 -0.343 4.099 -0.566 1.00 4.25 H new ATOM 0 HD21 LEU A 577 -1.496 6.630 -1.891 1.00 13.24 H new ATOM 0 HD22 LEU A 577 -0.844 6.592 -0.236 1.00 13.24 H new ATOM 0 HD23 LEU A 577 -0.200 7.754 -1.419 1.00 13.24 H new ATOM 608 N ASP A 578 3.084 4.206 2.020 1.00 31.23 N ATOM 609 CA ASP A 578 4.353 3.848 2.642 1.00 74.11 C ATOM 610 C ASP A 578 4.649 2.363 2.456 1.00 31.45 C ATOM 611 O ASP A 578 3.748 1.541 2.286 1.00 52.42 O ATOM 612 CB ASP A 578 4.331 4.194 4.131 1.00 24.42 C ATOM 613 CG ASP A 578 5.340 5.266 4.491 1.00 2.22 C ATOM 614 OD1 ASP A 578 6.196 5.008 5.364 1.00 22.31 O ATOM 615 OD2 ASP A 578 5.275 6.364 3.900 1.00 22.01 O ATOM 0 H ASP A 578 2.299 3.615 2.294 1.00 31.23 H new ATOM 0 HA ASP A 578 5.142 4.421 2.156 1.00 74.11 H new ATOM 0 HB2 ASP A 578 3.332 4.532 4.408 1.00 24.42 H new ATOM 0 HB3 ASP A 578 4.537 3.296 4.713 1.00 24.42 H new ATOM 621 N PRO A 579 5.942 2.008 2.490 1.00 4.41 N ATOM 622 CA PRO A 579 6.387 0.621 2.326 1.00 22.31 C ATOM 623 C PRO A 579 6.016 -0.251 3.521 1.00 71.23 C ATOM 624 O PRO A 579 5.541 -1.375 3.356 1.00 13.35 O ATOM 625 CB PRO A 579 7.908 0.747 2.208 1.00 15.03 C ATOM 626 CG PRO A 579 8.238 2.016 2.917 1.00 32.32 C ATOM 627 CD PRO A 579 7.069 2.934 2.689 1.00 23.34 C ATOM 0 HA PRO A 579 5.918 0.141 1.467 1.00 22.31 H new ATOM 0 HB2 PRO A 579 8.413 -0.105 2.664 1.00 15.03 H new ATOM 0 HB3 PRO A 579 8.223 0.783 1.165 1.00 15.03 H new ATOM 0 HG2 PRO A 579 8.394 1.839 3.981 1.00 32.32 H new ATOM 0 HG3 PRO A 579 9.158 2.452 2.528 1.00 32.32 H new ATOM 0 HD2 PRO A 579 6.903 3.592 3.542 1.00 23.34 H new ATOM 0 HD3 PRO A 579 7.223 3.572 1.819 1.00 23.34 H new ATOM 635 N GLN A 580 6.234 0.274 4.722 1.00 65.41 N ATOM 636 CA GLN A 580 5.923 -0.459 5.944 1.00 55.12 C ATOM 637 C GLN A 580 4.429 -0.401 6.246 1.00 11.12 C ATOM 638 O GLN A 580 3.818 -1.412 6.587 1.00 35.54 O ATOM 639 CB GLN A 580 6.716 0.111 7.121 1.00 31.35 C ATOM 640 CG GLN A 580 8.174 -0.318 7.137 1.00 42.34 C ATOM 641 CD GLN A 580 9.112 0.814 7.508 1.00 53.14 C ATOM 642 OE1 GLN A 580 9.928 0.686 8.420 1.00 1.52 O ATOM 643 NE2 GLN A 580 9.000 1.931 6.798 1.00 4.34 N ATOM 0 H GLN A 580 6.625 1.204 4.875 1.00 65.41 H new ATOM 0 HA GLN A 580 6.206 -1.501 5.796 1.00 55.12 H new ATOM 0 HB2 GLN A 580 6.667 1.199 7.089 1.00 31.35 H new ATOM 0 HB3 GLN A 580 6.244 -0.202 8.052 1.00 31.35 H new ATOM 0 HG2 GLN A 580 8.300 -1.136 7.846 1.00 42.34 H new ATOM 0 HG3 GLN A 580 8.446 -0.703 6.154 1.00 42.34 H new ATOM 0 HE21 GLN A 580 8.309 1.993 6.050 1.00 4.34 H new ATOM 0 HE22 GLN A 580 9.605 2.727 7.000 1.00 4.34 H new ATOM 652 N GLN A 581 3.849 0.788 6.120 1.00 44.31 N ATOM 653 CA GLN A 581 2.428 0.976 6.381 1.00 11.21 C ATOM 654 C GLN A 581 1.591 -0.022 5.587 1.00 5.22 C ATOM 655 O GLN A 581 0.804 -0.778 6.156 1.00 34.31 O ATOM 656 CB GLN A 581 2.008 2.405 6.029 1.00 21.44 C ATOM 657 CG GLN A 581 2.419 3.433 7.071 1.00 52.41 C ATOM 658 CD GLN A 581 2.208 4.858 6.598 1.00 3.44 C ATOM 659 OE1 GLN A 581 1.143 5.204 6.087 1.00 61.53 O ATOM 660 NE2 GLN A 581 3.225 5.695 6.769 1.00 2.22 N ATOM 0 H GLN A 581 4.342 1.636 5.839 1.00 44.31 H new ATOM 0 HA GLN A 581 2.254 0.804 7.443 1.00 11.21 H new ATOM 0 HB2 GLN A 581 2.446 2.678 5.069 1.00 21.44 H new ATOM 0 HB3 GLN A 581 0.925 2.437 5.906 1.00 21.44 H new ATOM 0 HG2 GLN A 581 1.847 3.268 7.984 1.00 52.41 H new ATOM 0 HG3 GLN A 581 3.470 3.289 7.323 1.00 52.41 H new ATOM 0 HE21 GLN A 581 4.090 5.366 7.197 1.00 2.22 H new ATOM 0 HE22 GLN A 581 3.141 6.667 6.472 1.00 2.22 H new ATOM 669 N LEU A 582 1.768 -0.018 4.270 1.00 34.44 N ATOM 670 CA LEU A 582 1.029 -0.924 3.397 1.00 4.03 C ATOM 671 C LEU A 582 1.154 -2.367 3.878 1.00 44.35 C ATOM 672 O LEU A 582 0.251 -3.178 3.678 1.00 50.22 O ATOM 673 CB LEU A 582 1.538 -0.807 1.959 1.00 1.21 C ATOM 674 CG LEU A 582 1.176 0.483 1.222 1.00 11.30 C ATOM 675 CD1 LEU A 582 1.872 0.539 -0.129 1.00 1.13 C ATOM 676 CD2 LEU A 582 -0.332 0.595 1.053 1.00 3.34 C ATOM 0 H LEU A 582 2.416 0.602 3.784 1.00 34.44 H new ATOM 0 HA LEU A 582 -0.023 -0.641 3.427 1.00 4.03 H new ATOM 0 HB2 LEU A 582 2.624 -0.903 1.970 1.00 1.21 H new ATOM 0 HB3 LEU A 582 1.149 -1.650 1.387 1.00 1.21 H new ATOM 0 HG LEU A 582 1.518 1.329 1.819 1.00 11.30 H new ATOM 0 HD11 LEU A 582 1.603 1.464 -0.639 1.00 1.13 H new ATOM 0 HD12 LEU A 582 2.952 0.506 0.016 1.00 1.13 H new ATOM 0 HD13 LEU A 582 1.561 -0.313 -0.734 1.00 1.13 H new ATOM 0 HD21 LEU A 582 -0.572 1.519 0.527 1.00 3.34 H new ATOM 0 HD22 LEU A 582 -0.698 -0.256 0.478 1.00 3.34 H new ATOM 0 HD23 LEU A 582 -0.808 0.602 2.033 1.00 3.34 H new ATOM 688 N ALA A 583 2.280 -2.678 4.512 1.00 52.41 N ATOM 689 CA ALA A 583 2.522 -4.020 5.024 1.00 62.40 C ATOM 690 C ALA A 583 1.512 -4.385 6.106 1.00 32.12 C ATOM 691 O ALA A 583 1.085 -5.535 6.208 1.00 31.23 O ATOM 692 CB ALA A 583 3.940 -4.132 5.563 1.00 4.11 C ATOM 0 H ALA A 583 3.039 -2.018 4.683 1.00 52.41 H new ATOM 0 HA ALA A 583 2.402 -4.723 4.200 1.00 62.40 H new ATOM 0 HB1 ALA A 583 4.107 -5.140 5.942 1.00 4.11 H new ATOM 0 HB2 ALA A 583 4.651 -3.923 4.763 1.00 4.11 H new ATOM 0 HB3 ALA A 583 4.080 -3.413 6.370 1.00 4.11 H new ATOM 698 N ALA A 584 1.135 -3.399 6.914 1.00 31.02 N ATOM 699 CA ALA A 584 0.174 -3.617 7.988 1.00 22.10 C ATOM 700 C ALA A 584 -1.203 -3.961 7.432 1.00 12.10 C ATOM 701 O ALA A 584 -1.778 -4.995 7.769 1.00 25.21 O ATOM 702 CB ALA A 584 0.093 -2.387 8.880 1.00 12.20 C ATOM 0 H ALA A 584 1.481 -2.442 6.845 1.00 31.02 H new ATOM 0 HA ALA A 584 0.517 -4.463 8.583 1.00 22.10 H new ATOM 0 HB1 ALA A 584 -0.628 -2.563 9.678 1.00 12.20 H new ATOM 0 HB2 ALA A 584 1.073 -2.187 9.314 1.00 12.20 H new ATOM 0 HB3 ALA A 584 -0.224 -1.528 8.288 1.00 12.20 H new ATOM 708 N GLU A 585 -1.727 -3.087 6.578 1.00 43.31 N ATOM 709 CA GLU A 585 -3.039 -3.300 5.976 1.00 4.34 C ATOM 710 C GLU A 585 -3.119 -4.674 5.319 1.00 50.14 C ATOM 711 O GLU A 585 -4.080 -5.416 5.523 1.00 33.31 O ATOM 712 CB GLU A 585 -3.333 -2.209 4.944 1.00 64.31 C ATOM 713 CG GLU A 585 -3.936 -0.950 5.543 1.00 71.50 C ATOM 714 CD GLU A 585 -2.886 0.075 5.923 1.00 42.31 C ATOM 715 OE1 GLU A 585 -2.917 0.556 7.075 1.00 34.11 O ATOM 716 OE2 GLU A 585 -2.034 0.397 5.069 1.00 13.54 O ATOM 0 H GLU A 585 -1.264 -2.226 6.288 1.00 43.31 H new ATOM 0 HA GLU A 585 -3.787 -3.252 6.767 1.00 4.34 H new ATOM 0 HB2 GLU A 585 -2.408 -1.949 4.429 1.00 64.31 H new ATOM 0 HB3 GLU A 585 -4.015 -2.606 4.192 1.00 64.31 H new ATOM 0 HG2 GLU A 585 -4.629 -0.507 4.827 1.00 71.50 H new ATOM 0 HG3 GLU A 585 -4.517 -1.215 6.427 1.00 71.50 H new ATOM 724 N ILE A 586 -2.103 -5.006 4.529 1.00 31.40 N ATOM 725 CA ILE A 586 -2.058 -6.290 3.842 1.00 74.25 C ATOM 726 C ILE A 586 -2.125 -7.447 4.833 1.00 20.05 C ATOM 727 O ILE A 586 -2.876 -8.404 4.638 1.00 61.45 O ATOM 728 CB ILE A 586 -0.781 -6.431 2.992 1.00 15.12 C ATOM 729 CG1 ILE A 586 -0.721 -5.325 1.936 1.00 32.42 C ATOM 730 CG2 ILE A 586 -0.730 -7.802 2.335 1.00 12.34 C ATOM 731 CD1 ILE A 586 0.683 -5.009 1.473 1.00 5.50 C ATOM 0 H ILE A 586 -1.300 -4.403 4.349 1.00 31.40 H new ATOM 0 HA ILE A 586 -2.927 -6.326 3.185 1.00 74.25 H new ATOM 0 HB ILE A 586 0.086 -6.331 3.645 1.00 15.12 H new ATOM 0 HG12 ILE A 586 -1.321 -5.622 1.076 1.00 32.42 H new ATOM 0 HG13 ILE A 586 -1.173 -4.420 2.343 1.00 32.42 H new ATOM 0 HG21 ILE A 586 0.178 -7.886 1.738 1.00 12.34 H new ATOM 0 HG22 ILE A 586 -0.731 -8.574 3.104 1.00 12.34 H new ATOM 0 HG23 ILE A 586 -1.600 -7.930 1.691 1.00 12.34 H new ATOM 0 HD11 ILE A 586 0.650 -4.217 0.725 1.00 5.50 H new ATOM 0 HD12 ILE A 586 1.281 -4.681 2.323 1.00 5.50 H new ATOM 0 HD13 ILE A 586 1.132 -5.901 1.036 1.00 5.50 H new ATOM 743 N LEU A 587 -1.338 -7.352 5.899 1.00 53.01 N ATOM 744 CA LEU A 587 -1.309 -8.389 6.925 1.00 41.13 C ATOM 745 C LEU A 587 -2.716 -8.704 7.420 1.00 13.15 C ATOM 746 O LEU A 587 -3.068 -9.867 7.626 1.00 44.43 O ATOM 747 CB LEU A 587 -0.429 -7.951 8.096 1.00 75.11 C ATOM 748 CG LEU A 587 1.031 -8.399 8.043 1.00 5.10 C ATOM 749 CD1 LEU A 587 1.882 -7.559 8.984 1.00 51.23 C ATOM 750 CD2 LEU A 587 1.150 -9.876 8.389 1.00 51.34 C ATOM 0 H LEU A 587 -0.711 -6.567 6.076 1.00 53.01 H new ATOM 0 HA LEU A 587 -0.889 -9.292 6.482 1.00 41.13 H new ATOM 0 HB2 LEU A 587 -0.452 -6.863 8.155 1.00 75.11 H new ATOM 0 HB3 LEU A 587 -0.871 -8.329 9.018 1.00 75.11 H new ATOM 0 HG LEU A 587 1.398 -8.254 7.027 1.00 5.10 H new ATOM 0 HD11 LEU A 587 2.918 -7.893 8.933 1.00 51.23 H new ATOM 0 HD12 LEU A 587 1.823 -6.511 8.690 1.00 51.23 H new ATOM 0 HD13 LEU A 587 1.515 -7.671 10.004 1.00 51.23 H new ATOM 0 HD21 LEU A 587 2.197 -10.177 8.346 1.00 51.34 H new ATOM 0 HD22 LEU A 587 0.765 -10.046 9.394 1.00 51.34 H new ATOM 0 HD23 LEU A 587 0.574 -10.465 7.675 1.00 51.34 H new ATOM 762 N SER A 588 -3.520 -7.662 7.608 1.00 22.02 N ATOM 763 CA SER A 588 -4.889 -7.827 8.082 1.00 60.43 C ATOM 764 C SER A 588 -5.813 -8.236 6.939 1.00 61.50 C ATOM 765 O SER A 588 -6.781 -8.971 7.141 1.00 1.31 O ATOM 766 CB SER A 588 -5.391 -6.530 8.719 1.00 1.40 C ATOM 767 OG SER A 588 -4.692 -6.247 9.918 1.00 23.33 O ATOM 0 H SER A 588 -3.246 -6.694 7.439 1.00 22.02 H new ATOM 0 HA SER A 588 -4.895 -8.617 8.832 1.00 60.43 H new ATOM 0 HB2 SER A 588 -5.266 -5.705 8.018 1.00 1.40 H new ATOM 0 HB3 SER A 588 -6.458 -6.613 8.927 1.00 1.40 H new ATOM 0 HG SER A 588 -5.030 -5.412 10.305 1.00 23.33 H new ATOM 773 N TYR A 589 -5.507 -7.758 5.739 1.00 44.34 N ATOM 774 CA TYR A 589 -6.310 -8.071 4.563 1.00 13.03 C ATOM 775 C TYR A 589 -6.272 -9.565 4.259 1.00 21.14 C ATOM 776 O TYR A 589 -7.299 -10.179 3.967 1.00 54.51 O ATOM 777 CB TYR A 589 -5.810 -7.281 3.352 1.00 52.20 C ATOM 778 CG TYR A 589 -6.485 -7.668 2.056 1.00 72.12 C ATOM 779 CD1 TYR A 589 -7.862 -7.554 1.905 1.00 43.22 C ATOM 780 CD2 TYR A 589 -5.746 -8.150 0.982 1.00 42.45 C ATOM 781 CE1 TYR A 589 -8.482 -7.907 0.722 1.00 35.55 C ATOM 782 CE2 TYR A 589 -6.358 -8.504 -0.204 1.00 50.23 C ATOM 783 CZ TYR A 589 -7.726 -8.381 -0.329 1.00 52.53 C ATOM 784 OH TYR A 589 -8.340 -8.734 -1.509 1.00 63.13 O ATOM 0 H TYR A 589 -4.708 -7.152 5.554 1.00 44.34 H new ATOM 0 HA TYR A 589 -7.341 -7.787 4.774 1.00 13.03 H new ATOM 0 HB2 TYR A 589 -5.969 -6.218 3.531 1.00 52.20 H new ATOM 0 HB3 TYR A 589 -4.735 -7.430 3.250 1.00 52.20 H new ATOM 0 HD1 TYR A 589 -8.457 -7.183 2.726 1.00 43.22 H new ATOM 0 HD2 TYR A 589 -4.675 -8.249 1.077 1.00 42.45 H new ATOM 0 HE1 TYR A 589 -9.553 -7.812 0.621 1.00 35.55 H new ATOM 0 HE2 TYR A 589 -5.769 -8.875 -1.029 1.00 50.23 H new ATOM 0 HH TYR A 589 -7.666 -9.047 -2.148 1.00 63.13 H new ATOM 794 N LYS A 590 -5.080 -10.147 4.331 1.00 24.13 N ATOM 795 CA LYS A 590 -4.904 -11.570 4.068 1.00 53.14 C ATOM 796 C LYS A 590 -5.626 -12.411 5.115 1.00 23.25 C ATOM 797 O LYS A 590 -6.432 -13.280 4.782 1.00 42.22 O ATOM 798 CB LYS A 590 -3.416 -11.926 4.048 1.00 60.41 C ATOM 799 CG LYS A 590 -3.087 -13.113 3.158 1.00 2.11 C ATOM 800 CD LYS A 590 -3.305 -12.788 1.690 1.00 10.32 C ATOM 801 CE LYS A 590 -2.411 -13.630 0.794 1.00 24.13 C ATOM 802 NZ LYS A 590 -2.592 -15.087 1.041 1.00 70.12 N ATOM 0 H LYS A 590 -4.220 -9.654 4.570 1.00 24.13 H new ATOM 0 HA LYS A 590 -5.336 -11.789 3.092 1.00 53.14 H new ATOM 0 HB2 LYS A 590 -2.848 -11.060 3.709 1.00 60.41 H new ATOM 0 HB3 LYS A 590 -3.089 -12.143 5.065 1.00 60.41 H new ATOM 0 HG2 LYS A 590 -2.050 -13.410 3.315 1.00 2.11 H new ATOM 0 HG3 LYS A 590 -3.709 -13.963 3.439 1.00 2.11 H new ATOM 0 HD2 LYS A 590 -4.349 -12.961 1.429 1.00 10.32 H new ATOM 0 HD3 LYS A 590 -3.104 -11.731 1.517 1.00 10.32 H new ATOM 0 HE2 LYS A 590 -2.632 -13.409 -0.250 1.00 24.13 H new ATOM 0 HE3 LYS A 590 -1.369 -13.360 0.964 1.00 24.13 H new ATOM 0 HZ1 LYS A 590 -2.112 -15.628 0.294 1.00 70.12 H new ATOM 0 HZ2 LYS A 590 -2.184 -15.336 1.965 1.00 70.12 H new ATOM 0 HZ3 LYS A 590 -3.606 -15.316 1.037 1.00 70.12 H new ATOM 816 N SER A 591 -5.331 -12.147 6.385 1.00 13.30 N ATOM 817 CA SER A 591 -5.951 -12.881 7.482 1.00 21.01 C ATOM 818 C SER A 591 -7.472 -12.797 7.402 1.00 64.44 C ATOM 819 O SER A 591 -8.170 -13.787 7.620 1.00 1.13 O ATOM 820 CB SER A 591 -5.469 -12.332 8.827 1.00 72.11 C ATOM 821 OG SER A 591 -4.234 -12.915 9.203 1.00 52.10 O ATOM 0 H SER A 591 -4.667 -11.431 6.679 1.00 13.30 H new ATOM 0 HA SER A 591 -5.658 -13.927 7.398 1.00 21.01 H new ATOM 0 HB2 SER A 591 -5.359 -11.249 8.763 1.00 72.11 H new ATOM 0 HB3 SER A 591 -6.217 -12.532 9.594 1.00 72.11 H new ATOM 0 HG SER A 591 -3.947 -12.546 10.064 1.00 52.10 H new ATOM 827 N GLN A 592 -7.977 -11.610 7.086 1.00 15.12 N ATOM 828 CA GLN A 592 -9.416 -11.396 6.977 1.00 11.01 C ATOM 829 C GLN A 592 -10.026 -12.324 5.930 1.00 22.25 C ATOM 830 O GLN A 592 -11.159 -12.782 6.077 1.00 31.13 O ATOM 831 CB GLN A 592 -9.711 -9.939 6.618 1.00 72.34 C ATOM 832 CG GLN A 592 -9.904 -9.042 7.830 1.00 44.45 C ATOM 833 CD GLN A 592 -10.422 -7.666 7.460 1.00 54.23 C ATOM 834 OE1 GLN A 592 -9.749 -6.658 7.673 1.00 11.40 O ATOM 835 NE2 GLN A 592 -11.625 -7.617 6.900 1.00 74.12 N ATOM 0 H GLN A 592 -7.412 -10.781 6.901 1.00 15.12 H new ATOM 0 HA GLN A 592 -9.866 -11.622 7.944 1.00 11.01 H new ATOM 0 HB2 GLN A 592 -8.892 -9.549 6.014 1.00 72.34 H new ATOM 0 HB3 GLN A 592 -10.608 -9.900 6.001 1.00 72.34 H new ATOM 0 HG2 GLN A 592 -10.602 -9.515 8.520 1.00 44.45 H new ATOM 0 HG3 GLN A 592 -8.955 -8.940 8.356 1.00 44.45 H new ATOM 0 HE21 GLN A 592 -12.149 -8.478 6.741 1.00 74.12 H new ATOM 0 HE22 GLN A 592 -12.025 -6.719 6.628 1.00 74.12 H new ATOM 844 N HIS A 593 -9.267 -12.596 4.874 1.00 62.03 N ATOM 845 CA HIS A 593 -9.733 -13.470 3.803 1.00 41.32 C ATOM 846 C HIS A 593 -8.964 -14.788 3.803 1.00 74.22 C ATOM 847 O HIS A 593 -8.536 -15.269 2.753 1.00 43.41 O ATOM 848 CB HIS A 593 -9.580 -12.777 2.448 1.00 34.42 C ATOM 849 CG HIS A 593 -10.659 -11.779 2.161 1.00 35.53 C ATOM 850 ND1 HIS A 593 -11.099 -11.492 0.886 1.00 45.11 N ATOM 851 CD2 HIS A 593 -11.390 -11.002 2.993 1.00 14.52 C ATOM 852 CE1 HIS A 593 -12.051 -10.579 0.946 1.00 71.10 C ATOM 853 NE2 HIS A 593 -12.248 -10.264 2.215 1.00 64.23 N ATOM 0 H HIS A 593 -8.327 -12.224 4.737 1.00 62.03 H new ATOM 0 HA HIS A 593 -10.787 -13.685 3.976 1.00 41.32 H new ATOM 0 HB2 HIS A 593 -8.613 -12.275 2.413 1.00 34.42 H new ATOM 0 HB3 HIS A 593 -9.576 -13.532 1.662 1.00 34.42 H new ATOM 0 HD2 HIS A 593 -11.313 -10.968 4.070 1.00 14.52 H new ATOM 0 HE1 HIS A 593 -12.579 -10.161 0.102 1.00 71.10 H new ATOM 0 HE2 HIS A 593 -12.926 -9.584 2.560 1.00 64.23 H new ATOM 862 N LEU A 594 -8.792 -15.366 4.986 1.00 30.42 N ATOM 863 CA LEU A 594 -8.074 -16.629 5.123 1.00 10.31 C ATOM 864 C LEU A 594 -9.042 -17.783 5.362 1.00 11.11 C ATOM 865 O LEU A 594 -10.092 -17.609 5.982 1.00 51.45 O ATOM 866 CB LEU A 594 -7.069 -16.545 6.274 1.00 15.20 C ATOM 867 CG LEU A 594 -5.921 -17.554 6.237 1.00 14.35 C ATOM 868 CD1 LEU A 594 -4.774 -17.025 5.390 1.00 22.43 C ATOM 869 CD2 LEU A 594 -5.444 -17.870 7.647 1.00 23.43 C ATOM 0 H LEU A 594 -9.139 -14.981 5.864 1.00 30.42 H new ATOM 0 HA LEU A 594 -7.537 -16.816 4.193 1.00 10.31 H new ATOM 0 HB2 LEU A 594 -6.644 -15.541 6.286 1.00 15.20 H new ATOM 0 HB3 LEU A 594 -7.609 -16.674 7.212 1.00 15.20 H new ATOM 0 HG LEU A 594 -6.286 -18.476 5.783 1.00 14.35 H new ATOM 0 HD11 LEU A 594 -3.966 -17.756 5.375 1.00 22.43 H new ATOM 0 HD12 LEU A 594 -5.124 -16.850 4.373 1.00 22.43 H new ATOM 0 HD13 LEU A 594 -4.409 -16.090 5.815 1.00 22.43 H new ATOM 0 HD21 LEU A 594 -4.627 -18.590 7.602 1.00 23.43 H new ATOM 0 HD22 LEU A 594 -5.096 -16.955 8.127 1.00 23.43 H new ATOM 0 HD23 LEU A 594 -6.267 -18.292 8.224 1.00 23.43 H new ATOM 881 N SER A 595 -8.681 -18.964 4.869 1.00 12.43 N ATOM 882 CA SER A 595 -9.519 -20.147 5.027 1.00 11.04 C ATOM 883 C SER A 595 -9.409 -20.704 6.444 1.00 50.15 C ATOM 884 O SER A 595 -8.323 -21.064 6.897 1.00 75.11 O ATOM 885 CB SER A 595 -9.121 -21.219 4.012 1.00 23.01 C ATOM 886 OG SER A 595 -9.522 -20.856 2.702 1.00 30.52 O ATOM 0 H SER A 595 -7.814 -19.127 4.357 1.00 12.43 H new ATOM 0 HA SER A 595 -10.554 -19.856 4.849 1.00 11.04 H new ATOM 0 HB2 SER A 595 -8.041 -21.365 4.038 1.00 23.01 H new ATOM 0 HB3 SER A 595 -9.578 -22.170 4.285 1.00 23.01 H new ATOM 0 HG SER A 595 -9.254 -21.557 2.072 1.00 30.52 H new ATOM 892 N GLU A 596 -10.543 -20.772 7.136 1.00 44.34 N ATOM 893 CA GLU A 596 -10.573 -21.284 8.501 1.00 73.14 C ATOM 894 C GLU A 596 -10.886 -22.778 8.514 1.00 51.44 C ATOM 895 O GLU A 596 -12.045 -23.180 8.410 1.00 41.22 O ATOM 896 CB GLU A 596 -11.613 -20.527 9.330 1.00 73.03 C ATOM 897 CG GLU A 596 -11.758 -21.050 10.749 1.00 63.31 C ATOM 898 CD GLU A 596 -12.900 -20.394 11.499 1.00 54.13 C ATOM 899 OE1 GLU A 596 -13.640 -21.115 12.201 1.00 42.10 O ATOM 900 OE2 GLU A 596 -13.056 -19.161 11.384 1.00 40.32 O ATOM 0 H GLU A 596 -11.451 -20.480 6.774 1.00 44.34 H new ATOM 0 HA GLU A 596 -9.587 -21.132 8.941 1.00 73.14 H new ATOM 0 HB2 GLU A 596 -11.339 -19.473 9.367 1.00 73.03 H new ATOM 0 HB3 GLU A 596 -12.579 -20.588 8.829 1.00 73.03 H new ATOM 0 HG2 GLU A 596 -11.919 -22.128 10.720 1.00 63.31 H new ATOM 0 HG3 GLU A 596 -10.828 -20.881 11.291 1.00 63.31 H new TER 908 GLU A 596