USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 HIS : no HD1:sc= -1.13 K(o=0.07,f=-6.5!) USER MOD Set 1.2: A 45 SER OG : rot -5:sc= 0.955 USER MOD Set 1.3: A 56 HIS : no HD1:sc= 0.241 K(o=0.07,f=-4.2) USER MOD Single : A 1 ALA N :NH3+ -174:sc= 0 (180deg=-0.0369) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 12 GLN : amide:sc= 2.61 K(o=2.6,f=-8.3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -21:sc= 0.594 USER MOD Single : A 22 SER OG : rot 8:sc= -1.67! USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= -0.033 (180deg=-0.23) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 32 THR OG1 : rot 67:sc= 0.793 USER MOD Single : A 36 THR OG1 : rot -65:sc= 1.15 USER MOD Single : A 37 SER OG : rot 180:sc= 0.117 USER MOD Single : A 46 HIS : no HD1:sc= 0.722 K(o=0.72,f=-3.2!) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0137 (180deg=-0.191) USER MOD Single : A 51 SER OG : rot 180:sc= 0.147 USER MOD Single : A 53 GLN : amide:sc= -0.343 K(o=-0.34,f=-3.3!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.271 K(o=-0.27,f=-4!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 64 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0965 K(o=-0.097,f=-2.7!) USER MOD Single : A 70 THR OG1 : rot -44:sc= 0.893 USER MOD Single : A 71 SER OG : rot 180:sc= -0.231 USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0.476 (180deg=0.346) USER MOD Single : A 74 LYS NZ :NH3+ 173:sc=-0.00528 (180deg=-0.0795) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.270 -8.033 -6.921 1.00 0.00 N ATOM 2 CA ALA A 1 17.152 -7.854 -6.007 1.00 0.00 C ATOM 3 C ALA A 1 16.809 -6.372 -5.837 1.00 0.00 C ATOM 4 O ALA A 1 15.635 -6.008 -5.806 1.00 0.00 O ATOM 5 CB ALA A 1 17.480 -8.501 -4.658 1.00 0.00 C ATOM 0 H1 ALA A 1 18.416 -9.048 -7.097 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.064 -7.552 -7.820 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.130 -7.628 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 1 16.274 -8.344 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.641 -8.365 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.663 -9.566 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.370 -8.033 -4.237 1.00 0.00 H new ATOM 12 N VAL A 2 17.826 -5.509 -5.732 1.00 0.00 N ATOM 13 CA VAL A 2 17.652 -4.072 -5.557 1.00 0.00 C ATOM 14 C VAL A 2 17.205 -3.448 -6.886 1.00 0.00 C ATOM 15 O VAL A 2 17.961 -2.740 -7.549 1.00 0.00 O ATOM 16 CB VAL A 2 18.939 -3.442 -4.986 1.00 0.00 C ATOM 17 CG1 VAL A 2 18.700 -1.980 -4.577 1.00 0.00 C ATOM 18 CG2 VAL A 2 19.429 -4.201 -3.744 1.00 0.00 C ATOM 0 H VAL A 2 18.804 -5.798 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 2 16.867 -3.870 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 2 19.690 -3.496 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 2 19.622 -1.558 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.386 -1.405 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.922 -1.938 -3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 2 20.337 -3.732 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.659 -4.174 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 2 19.639 -5.237 -4.010 1.00 0.00 H new ATOM 28 N ILE A 3 15.970 -3.744 -7.291 1.00 0.00 N ATOM 29 CA ILE A 3 15.372 -3.225 -8.510 1.00 0.00 C ATOM 30 C ILE A 3 15.190 -1.707 -8.396 1.00 0.00 C ATOM 31 O ILE A 3 15.117 -1.168 -7.290 1.00 0.00 O ATOM 32 CB ILE A 3 14.048 -3.970 -8.782 1.00 0.00 C ATOM 33 CG1 ILE A 3 13.512 -3.660 -10.191 1.00 0.00 C ATOM 34 CG2 ILE A 3 12.988 -3.666 -7.710 1.00 0.00 C ATOM 35 CD1 ILE A 3 12.405 -4.627 -10.624 1.00 0.00 C ATOM 0 H ILE A 3 15.350 -4.363 -6.768 1.00 0.00 H new ATOM 0 HA ILE A 3 16.027 -3.399 -9.364 1.00 0.00 H new ATOM 0 HB ILE A 3 14.265 -5.037 -8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 3 13.128 -2.640 -10.214 1.00 0.00 H new ATOM 0 HG13 ILE A 3 14.332 -3.708 -10.907 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.072 -4.210 -7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 3 13.359 -3.976 -6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 3 12.781 -2.596 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 3 12.063 -4.364 -11.625 1.00 0.00 H new ATOM 0 HD12 ILE A 3 12.793 -5.645 -10.630 1.00 0.00 H new ATOM 0 HD13 ILE A 3 11.570 -4.561 -9.926 1.00 0.00 H new ATOM 47 N THR A 4 15.111 -1.017 -9.537 1.00 0.00 N ATOM 48 CA THR A 4 14.903 0.420 -9.643 1.00 0.00 C ATOM 49 C THR A 4 13.537 0.803 -9.054 1.00 0.00 C ATOM 50 O THR A 4 12.572 1.029 -9.780 1.00 0.00 O ATOM 51 CB THR A 4 15.034 0.796 -11.127 1.00 0.00 C ATOM 52 OG1 THR A 4 16.105 0.060 -11.690 1.00 0.00 O ATOM 53 CG2 THR A 4 15.286 2.293 -11.320 1.00 0.00 C ATOM 0 H THR A 4 15.194 -1.469 -10.448 1.00 0.00 H new ATOM 0 HA THR A 4 15.646 0.974 -9.070 1.00 0.00 H new ATOM 0 HB THR A 4 14.094 0.556 -11.624 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.197 0.290 -12.638 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.372 2.513 -12.384 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.456 2.859 -10.898 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.210 2.574 -10.815 1.00 0.00 H new ATOM 61 N GLY A 5 13.467 0.864 -7.726 1.00 0.00 N ATOM 62 CA GLY A 5 12.258 1.136 -6.964 1.00 0.00 C ATOM 63 C GLY A 5 12.364 0.602 -5.532 1.00 0.00 C ATOM 64 O GLY A 5 11.590 1.027 -4.674 1.00 0.00 O ATOM 0 H GLY A 5 14.284 0.719 -7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.076 2.210 -6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.403 0.679 -7.461 1.00 0.00 H new ATOM 68 N ALA A 6 13.286 -0.343 -5.283 1.00 0.00 N ATOM 69 CA ALA A 6 13.546 -0.922 -3.973 1.00 0.00 C ATOM 70 C ALA A 6 13.861 0.206 -2.994 1.00 0.00 C ATOM 71 O ALA A 6 14.705 1.052 -3.284 1.00 0.00 O ATOM 72 CB ALA A 6 14.710 -1.912 -4.068 1.00 0.00 C ATOM 0 H ALA A 6 13.883 -0.730 -6.014 1.00 0.00 H new ATOM 0 HA ALA A 6 12.671 -1.466 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.902 -2.343 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.456 -2.706 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.602 -1.392 -4.416 1.00 0.00 H new ATOM 78 N CYS A 7 13.163 0.239 -1.860 1.00 0.00 N ATOM 79 CA CYS A 7 13.286 1.316 -0.886 1.00 0.00 C ATOM 80 C CYS A 7 13.238 0.809 0.546 1.00 0.00 C ATOM 81 O CYS A 7 12.863 -0.329 0.823 1.00 0.00 O ATOM 82 CB CYS A 7 12.183 2.340 -1.133 1.00 0.00 C ATOM 83 SG CYS A 7 10.525 1.639 -1.070 1.00 0.00 S ATOM 0 H CYS A 7 12.495 -0.484 -1.592 1.00 0.00 H new ATOM 0 HA CYS A 7 14.262 1.783 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.262 3.134 -0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.337 2.800 -2.109 1.00 0.00 H new ATOM 88 N GLU A 8 13.627 1.699 1.458 1.00 0.00 N ATOM 89 CA GLU A 8 13.686 1.484 2.883 1.00 0.00 C ATOM 90 C GLU A 8 12.435 2.086 3.530 1.00 0.00 C ATOM 91 O GLU A 8 11.893 1.491 4.461 1.00 0.00 O ATOM 92 CB GLU A 8 14.965 2.126 3.427 1.00 0.00 C ATOM 93 CG GLU A 8 16.229 1.502 2.819 1.00 0.00 C ATOM 94 CD GLU A 8 17.452 2.355 3.125 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.596 3.388 2.433 1.00 0.00 O ATOM 96 OE2 GLU A 8 18.206 1.974 4.045 1.00 0.00 O ATOM 0 H GLU A 8 13.924 2.639 1.196 1.00 0.00 H new ATOM 0 HA GLU A 8 13.711 0.419 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.952 3.195 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.992 2.016 4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.372 0.497 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.109 1.404 1.740 1.00 0.00 H new ATOM 103 N ARG A 9 11.986 3.260 3.061 1.00 0.00 N ATOM 104 CA ARG A 9 10.772 3.895 3.573 1.00 0.00 C ATOM 105 C ARG A 9 10.191 4.939 2.612 1.00 0.00 C ATOM 106 O ARG A 9 10.933 5.590 1.873 1.00 0.00 O ATOM 107 CB ARG A 9 10.971 4.468 4.982 1.00 0.00 C ATOM 108 CG ARG A 9 11.975 5.621 5.115 1.00 0.00 C ATOM 109 CD ARG A 9 13.423 5.125 5.136 1.00 0.00 C ATOM 110 NE ARG A 9 14.337 6.142 5.669 1.00 0.00 N ATOM 111 CZ ARG A 9 14.521 6.400 6.973 1.00 0.00 C ATOM 112 NH1 ARG A 9 13.780 5.796 7.910 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.464 7.276 7.336 1.00 0.00 N ATOM 0 H ARG A 9 12.452 3.788 2.323 1.00 0.00 H new ATOM 0 HA ARG A 9 10.029 3.101 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.005 4.813 5.350 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.292 3.659 5.638 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.842 6.314 4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.769 6.176 6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.490 4.222 5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.730 4.854 4.126 1.00 0.00 H new ATOM 0 HE ARG A 9 14.872 6.694 4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.060 5.126 7.638 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.935 6.005 8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.032 7.738 6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.615 7.482 8.323 1.00 0.00 H new ATOM 127 N ASP A 10 8.858 5.095 2.657 1.00 0.00 N ATOM 128 CA ASP A 10 8.026 5.960 1.820 1.00 0.00 C ATOM 129 C ASP A 10 8.699 7.283 1.454 1.00 0.00 C ATOM 130 O ASP A 10 8.720 7.679 0.289 1.00 0.00 O ATOM 131 CB ASP A 10 6.715 6.313 2.545 1.00 0.00 C ATOM 132 CG ASP A 10 5.842 5.158 2.995 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.116 3.980 2.677 1.00 0.00 O ATOM 134 OD2 ASP A 10 4.875 5.453 3.729 1.00 0.00 O ATOM 0 H ASP A 10 8.296 4.578 3.333 1.00 0.00 H new ATOM 0 HA ASP A 10 7.848 5.389 0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.964 6.911 3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.123 6.947 1.885 1.00 0.00 H new ATOM 139 N LEU A 11 9.213 7.972 2.479 1.00 0.00 N ATOM 140 CA LEU A 11 9.841 9.287 2.394 1.00 0.00 C ATOM 141 C LEU A 11 10.801 9.400 1.208 1.00 0.00 C ATOM 142 O LEU A 11 10.889 10.456 0.586 1.00 0.00 O ATOM 143 CB LEU A 11 10.608 9.612 3.688 1.00 0.00 C ATOM 144 CG LEU A 11 9.735 9.957 4.909 1.00 0.00 C ATOM 145 CD1 LEU A 11 9.069 8.726 5.532 1.00 0.00 C ATOM 146 CD2 LEU A 11 10.619 10.618 5.975 1.00 0.00 C ATOM 0 H LEU A 11 9.200 7.608 3.432 1.00 0.00 H new ATOM 0 HA LEU A 11 9.032 10.003 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.235 8.758 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.276 10.451 3.493 1.00 0.00 H new ATOM 0 HG LEU A 11 8.944 10.623 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.467 9.032 6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.429 8.245 4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.836 8.024 5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.013 10.868 6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.411 9.929 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.062 11.527 5.568 1.00 0.00 H new ATOM 158 N GLN A 12 11.531 8.325 0.904 1.00 0.00 N ATOM 159 CA GLN A 12 12.513 8.311 -0.167 1.00 0.00 C ATOM 160 C GLN A 12 11.897 8.589 -1.543 1.00 0.00 C ATOM 161 O GLN A 12 12.596 9.082 -2.426 1.00 0.00 O ATOM 162 CB GLN A 12 13.254 6.972 -0.131 1.00 0.00 C ATOM 163 CG GLN A 12 13.939 6.796 1.231 1.00 0.00 C ATOM 164 CD GLN A 12 14.642 5.453 1.336 1.00 0.00 C ATOM 165 OE1 GLN A 12 13.989 4.415 1.281 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.958 5.458 1.523 1.00 0.00 N ATOM 0 H GLN A 12 11.452 7.438 1.401 1.00 0.00 H new ATOM 0 HA GLN A 12 13.219 9.125 -0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.555 6.154 -0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.995 6.934 -0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.662 7.598 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.198 6.882 2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.464 6.343 1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.462 4.577 1.627 1.00 0.00 H new ATOM 175 N CYS A 13 10.612 8.270 -1.731 1.00 0.00 N ATOM 176 CA CYS A 13 9.894 8.486 -2.986 1.00 0.00 C ATOM 177 C CYS A 13 8.852 9.588 -2.823 1.00 0.00 C ATOM 178 O CYS A 13 8.751 10.465 -3.677 1.00 0.00 O ATOM 179 CB CYS A 13 9.269 7.180 -3.468 1.00 0.00 C ATOM 180 SG CYS A 13 10.478 6.031 -4.162 1.00 0.00 S ATOM 0 H CYS A 13 10.035 7.848 -1.003 1.00 0.00 H new ATOM 0 HA CYS A 13 10.600 8.816 -3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.757 6.700 -2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.513 7.402 -4.221 1.00 0.00 H new ATOM 185 N GLY A 14 8.077 9.549 -1.736 1.00 0.00 N ATOM 186 CA GLY A 14 7.081 10.562 -1.420 1.00 0.00 C ATOM 187 C GLY A 14 5.662 10.001 -1.369 1.00 0.00 C ATOM 188 O GLY A 14 5.398 8.886 -1.825 1.00 0.00 O ATOM 0 H GLY A 14 8.129 8.801 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.322 11.015 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.127 11.355 -2.166 1.00 0.00 H new ATOM 192 N LYS A 15 4.753 10.834 -0.843 1.00 0.00 N ATOM 193 CA LYS A 15 3.338 10.571 -0.591 1.00 0.00 C ATOM 194 C LYS A 15 2.599 9.864 -1.730 1.00 0.00 C ATOM 195 O LYS A 15 1.649 9.129 -1.475 1.00 0.00 O ATOM 196 CB LYS A 15 2.625 11.887 -0.248 1.00 0.00 C ATOM 197 CG LYS A 15 3.081 12.469 1.096 1.00 0.00 C ATOM 198 CD LYS A 15 2.351 13.790 1.367 1.00 0.00 C ATOM 199 CE LYS A 15 2.757 14.361 2.729 1.00 0.00 C ATOM 200 NZ LYS A 15 2.088 15.647 2.993 1.00 0.00 N ATOM 0 H LYS A 15 5.013 11.780 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 15 3.312 9.875 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.812 12.615 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.549 11.717 -0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.877 11.759 1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.158 12.635 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.584 14.508 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.273 13.628 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.503 13.649 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.838 14.498 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.384 16.008 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.350 16.333 2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.057 15.510 2.987 1.00 0.00 H new ATOM 214 N GLY A 16 2.998 10.094 -2.983 1.00 0.00 N ATOM 215 CA GLY A 16 2.384 9.436 -4.129 1.00 0.00 C ATOM 216 C GLY A 16 2.609 7.919 -4.126 1.00 0.00 C ATOM 217 O GLY A 16 2.018 7.205 -4.936 1.00 0.00 O ATOM 0 H GLY A 16 3.751 10.738 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.313 9.641 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.791 9.859 -5.048 1.00 0.00 H new ATOM 221 N THR A 17 3.478 7.414 -3.246 1.00 0.00 N ATOM 222 CA THR A 17 3.790 6.004 -3.143 1.00 0.00 C ATOM 223 C THR A 17 3.934 5.603 -1.673 1.00 0.00 C ATOM 224 O THR A 17 3.944 6.462 -0.793 1.00 0.00 O ATOM 225 CB THR A 17 5.130 5.758 -3.862 1.00 0.00 C ATOM 226 OG1 THR A 17 6.162 6.511 -3.246 1.00 0.00 O ATOM 227 CG2 THR A 17 5.118 6.129 -5.348 1.00 0.00 C ATOM 0 H THR A 17 3.988 7.992 -2.578 1.00 0.00 H new ATOM 0 HA THR A 17 2.991 5.415 -3.594 1.00 0.00 H new ATOM 0 HB THR A 17 5.303 4.685 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.769 7.256 -2.745 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.097 5.926 -5.781 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.363 5.537 -5.865 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.885 7.188 -5.457 1.00 0.00 H new ATOM 235 N CYS A 18 4.052 4.298 -1.418 1.00 0.00 N ATOM 236 CA CYS A 18 4.378 3.730 -0.120 1.00 0.00 C ATOM 237 C CYS A 18 5.329 2.550 -0.363 1.00 0.00 C ATOM 238 O CYS A 18 5.233 1.877 -1.392 1.00 0.00 O ATOM 239 CB CYS A 18 3.116 3.354 0.668 1.00 0.00 C ATOM 240 SG CYS A 18 2.813 1.582 0.828 1.00 0.00 S ATOM 0 H CYS A 18 3.917 3.588 -2.138 1.00 0.00 H new ATOM 0 HA CYS A 18 4.880 4.463 0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.187 3.786 1.666 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.254 3.812 0.183 1.00 0.00 H new ATOM 245 N CYS A 19 6.271 2.307 0.548 1.00 0.00 N ATOM 246 CA CYS A 19 7.280 1.261 0.401 1.00 0.00 C ATOM 247 C CYS A 19 6.735 -0.090 0.847 1.00 0.00 C ATOM 248 O CYS A 19 6.964 -0.487 1.986 1.00 0.00 O ATOM 249 CB CYS A 19 8.539 1.664 1.175 1.00 0.00 C ATOM 250 SG CYS A 19 9.513 2.864 0.252 1.00 0.00 S ATOM 0 H CYS A 19 6.355 2.836 1.416 1.00 0.00 H new ATOM 0 HA CYS A 19 7.545 1.153 -0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.257 2.085 2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 19 9.143 0.780 1.378 1.00 0.00 H new ATOM 255 N ALA A 20 6.025 -0.798 -0.038 1.00 0.00 N ATOM 256 CA ALA A 20 5.392 -2.087 0.261 1.00 0.00 C ATOM 257 C ALA A 20 6.142 -3.249 -0.393 1.00 0.00 C ATOM 258 O ALA A 20 6.916 -3.035 -1.326 1.00 0.00 O ATOM 259 CB ALA A 20 3.933 -2.056 -0.187 1.00 0.00 C ATOM 0 H ALA A 20 5.872 -0.487 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 20 5.432 -2.249 1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.464 -3.014 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.406 -1.262 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.886 -1.869 -1.260 1.00 0.00 H new ATOM 265 N VAL A 21 5.940 -4.472 0.118 1.00 0.00 N ATOM 266 CA VAL A 21 6.633 -5.667 -0.371 1.00 0.00 C ATOM 267 C VAL A 21 6.517 -5.801 -1.897 1.00 0.00 C ATOM 268 O VAL A 21 5.489 -5.479 -2.484 1.00 0.00 O ATOM 269 CB VAL A 21 6.152 -6.934 0.370 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.884 -8.187 -0.124 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.412 -6.813 1.878 1.00 0.00 C ATOM 0 H VAL A 21 5.291 -4.658 0.882 1.00 0.00 H new ATOM 0 HA VAL A 21 7.694 -5.553 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 21 5.085 -7.025 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.520 -9.059 0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.699 -8.320 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.955 -8.074 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.066 -7.716 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.480 -6.687 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.875 -5.950 2.272 1.00 0.00 H new ATOM 281 N SER A 22 7.583 -6.267 -2.551 1.00 0.00 N ATOM 282 CA SER A 22 7.630 -6.445 -3.987 1.00 0.00 C ATOM 283 C SER A 22 6.794 -7.660 -4.399 1.00 0.00 C ATOM 284 O SER A 22 6.720 -8.655 -3.681 1.00 0.00 O ATOM 285 CB SER A 22 9.099 -6.537 -4.400 1.00 0.00 C ATOM 286 OG SER A 22 9.747 -5.350 -4.017 1.00 0.00 O ATOM 0 H SER A 22 8.448 -6.533 -2.081 1.00 0.00 H new ATOM 0 HA SER A 22 7.187 -5.598 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.572 -7.397 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.181 -6.682 -5.477 1.00 0.00 H new ATOM 0 HG SER A 22 9.140 -4.808 -3.471 1.00 0.00 H new ATOM 292 N LEU A 23 6.122 -7.578 -5.548 1.00 0.00 N ATOM 293 CA LEU A 23 5.201 -8.616 -6.004 1.00 0.00 C ATOM 294 C LEU A 23 5.931 -9.843 -6.553 1.00 0.00 C ATOM 295 O LEU A 23 5.381 -10.939 -6.506 1.00 0.00 O ATOM 296 CB LEU A 23 4.212 -8.035 -7.031 1.00 0.00 C ATOM 297 CG LEU A 23 3.134 -7.088 -6.461 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.099 -7.829 -5.604 1.00 0.00 C ATOM 299 CD2 LEU A 23 3.694 -5.912 -5.654 1.00 0.00 C ATOM 0 H LEU A 23 6.202 -6.788 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 23 4.637 -8.963 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.779 -7.495 -7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.713 -8.862 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 23 2.651 -6.680 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.363 -7.119 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.598 -8.583 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.600 -8.312 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.872 -5.296 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.266 -6.291 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.343 -5.311 -6.290 1.00 0.00 H new ATOM 311 N TRP A 24 7.160 -9.674 -7.054 1.00 0.00 N ATOM 312 CA TRP A 24 7.905 -10.749 -7.706 1.00 0.00 C ATOM 313 C TRP A 24 8.918 -11.362 -6.735 1.00 0.00 C ATOM 314 O TRP A 24 8.793 -12.531 -6.377 1.00 0.00 O ATOM 315 CB TRP A 24 8.497 -10.235 -9.035 1.00 0.00 C ATOM 316 CG TRP A 24 7.658 -9.180 -9.702 1.00 0.00 C ATOM 317 CD1 TRP A 24 8.079 -7.937 -10.031 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.217 -9.185 -9.942 1.00 0.00 C ATOM 319 NE1 TRP A 24 7.002 -7.161 -10.409 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.824 -7.874 -10.340 1.00 0.00 C ATOM 321 CE3 TRP A 24 5.187 -10.136 -9.778 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.479 -7.522 -10.526 1.00 0.00 C ATOM 323 CZ3 TRP A 24 3.841 -9.808 -10.014 1.00 0.00 C ATOM 324 CH2 TRP A 24 3.483 -8.491 -10.345 1.00 0.00 C ATOM 0 H TRP A 24 7.663 -8.787 -7.017 1.00 0.00 H new ATOM 0 HA TRP A 24 7.245 -11.573 -7.976 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.492 -9.831 -8.847 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.618 -11.076 -9.718 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.105 -7.602 -10.002 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.069 -6.186 -10.702 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.439 -11.138 -9.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.213 -6.513 -10.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.080 -10.571 -9.941 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.442 -8.226 -10.460 1.00 0.00 H new ATOM 335 N ILE A 25 9.898 -10.579 -6.270 1.00 0.00 N ATOM 336 CA ILE A 25 10.891 -11.023 -5.301 1.00 0.00 C ATOM 337 C ILE A 25 10.532 -10.378 -3.965 1.00 0.00 C ATOM 338 O ILE A 25 10.997 -9.296 -3.618 1.00 0.00 O ATOM 339 CB ILE A 25 12.327 -10.746 -5.787 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.349 -11.042 -4.674 1.00 0.00 C ATOM 341 CG2 ILE A 25 12.507 -9.321 -6.319 1.00 0.00 C ATOM 342 CD1 ILE A 25 14.740 -11.372 -5.223 1.00 0.00 C ATOM 0 H ILE A 25 10.020 -9.610 -6.563 1.00 0.00 H new ATOM 0 HA ILE A 25 10.873 -12.106 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 25 12.509 -11.422 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.419 -10.179 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.993 -11.878 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.537 -9.183 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.833 -9.159 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.279 -8.606 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.420 -11.572 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.679 -12.252 -5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.112 -10.527 -5.802 1.00 0.00 H new ATOM 354 N LYS A 26 9.705 -11.075 -3.190 1.00 0.00 N ATOM 355 CA LYS A 26 9.205 -10.649 -1.897 1.00 0.00 C ATOM 356 C LYS A 26 10.314 -10.234 -0.917 1.00 0.00 C ATOM 357 O LYS A 26 10.034 -9.616 0.106 1.00 0.00 O ATOM 358 CB LYS A 26 8.386 -11.810 -1.330 1.00 0.00 C ATOM 359 CG LYS A 26 6.972 -11.930 -1.927 1.00 0.00 C ATOM 360 CD LYS A 26 6.954 -12.402 -3.391 1.00 0.00 C ATOM 361 CE LYS A 26 5.544 -12.689 -3.920 1.00 0.00 C ATOM 362 NZ LYS A 26 4.849 -13.733 -3.146 1.00 0.00 N ATOM 0 H LYS A 26 9.353 -11.992 -3.464 1.00 0.00 H new ATOM 0 HA LYS A 26 8.598 -9.754 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.924 -12.741 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.304 -11.690 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.391 -12.627 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.477 -10.961 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.421 -11.641 -4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.559 -13.304 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.957 -11.771 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.607 -12.997 -4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.003 -14.045 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.486 -14.543 -3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.566 -13.349 -2.222 1.00 0.00 H new ATOM 376 N SER A 27 11.569 -10.576 -1.213 1.00 0.00 N ATOM 377 CA SER A 27 12.719 -10.230 -0.398 1.00 0.00 C ATOM 378 C SER A 27 12.889 -8.712 -0.260 1.00 0.00 C ATOM 379 O SER A 27 13.448 -8.256 0.735 1.00 0.00 O ATOM 380 CB SER A 27 13.962 -10.866 -1.024 1.00 0.00 C ATOM 381 OG SER A 27 13.665 -12.191 -1.424 1.00 0.00 O ATOM 0 H SER A 27 11.812 -11.113 -2.046 1.00 0.00 H new ATOM 0 HA SER A 27 12.569 -10.615 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.289 -10.280 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.783 -10.867 -0.307 1.00 0.00 H new ATOM 0 HG SER A 27 14.461 -12.597 -1.826 1.00 0.00 H new ATOM 387 N VAL A 28 12.450 -7.939 -1.260 1.00 0.00 N ATOM 388 CA VAL A 28 12.538 -6.481 -1.259 1.00 0.00 C ATOM 389 C VAL A 28 11.151 -5.857 -1.160 1.00 0.00 C ATOM 390 O VAL A 28 10.149 -6.485 -1.497 1.00 0.00 O ATOM 391 CB VAL A 28 13.219 -5.967 -2.544 1.00 0.00 C ATOM 392 CG1 VAL A 28 14.726 -5.791 -2.330 1.00 0.00 C ATOM 393 CG2 VAL A 28 12.970 -6.834 -3.774 1.00 0.00 C ATOM 0 H VAL A 28 12.018 -8.318 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 28 13.134 -6.193 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 28 12.755 -5.002 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.184 -5.428 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.898 -5.071 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.169 -6.749 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.483 -6.403 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.348 -7.840 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.900 -6.880 -3.976 1.00 0.00 H new ATOM 403 N ARG A 29 11.102 -4.583 -0.762 1.00 0.00 N ATOM 404 CA ARG A 29 9.902 -3.765 -0.779 1.00 0.00 C ATOM 405 C ARG A 29 10.219 -2.533 -1.627 1.00 0.00 C ATOM 406 O ARG A 29 11.327 -1.996 -1.550 1.00 0.00 O ATOM 407 CB ARG A 29 9.387 -3.472 0.636 1.00 0.00 C ATOM 408 CG ARG A 29 10.424 -2.930 1.612 1.00 0.00 C ATOM 409 CD ARG A 29 9.723 -2.492 2.906 1.00 0.00 C ATOM 410 NE ARG A 29 8.870 -3.543 3.478 1.00 0.00 N ATOM 411 CZ ARG A 29 9.277 -4.692 4.033 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.573 -4.967 4.216 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.347 -5.571 4.409 1.00 0.00 N ATOM 0 H ARG A 29 11.921 -4.086 -0.411 1.00 0.00 H new ATOM 0 HA ARG A 29 9.061 -4.287 -1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.570 -2.754 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.969 -4.390 1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.170 -3.695 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.952 -2.087 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.475 -2.202 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.117 -1.609 2.704 1.00 0.00 H new ATOM 0 HE ARG A 29 7.863 -3.381 3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.283 -4.293 3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.852 -5.851 4.642 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.359 -5.359 4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.624 -6.456 4.835 1.00 0.00 H new ATOM 427 N VAL A 30 9.275 -2.145 -2.487 1.00 0.00 N ATOM 428 CA VAL A 30 9.450 -1.107 -3.491 1.00 0.00 C ATOM 429 C VAL A 30 8.429 0.015 -3.321 1.00 0.00 C ATOM 430 O VAL A 30 7.346 -0.183 -2.757 1.00 0.00 O ATOM 431 CB VAL A 30 9.346 -1.716 -4.906 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.541 -2.619 -5.240 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.039 -2.497 -5.108 1.00 0.00 C ATOM 0 H VAL A 30 8.343 -2.559 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 30 10.442 -0.675 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 30 9.352 -0.868 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.422 -3.023 -6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.462 -2.038 -5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.590 -3.438 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.012 -2.906 -6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.986 -3.311 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.190 -1.829 -4.965 1.00 0.00 H new ATOM 443 N CYS A 31 8.793 1.196 -3.831 1.00 0.00 N ATOM 444 CA CYS A 31 7.932 2.370 -3.847 1.00 0.00 C ATOM 445 C CYS A 31 6.740 2.050 -4.742 1.00 0.00 C ATOM 446 O CYS A 31 6.797 2.224 -5.958 1.00 0.00 O ATOM 447 CB CYS A 31 8.684 3.593 -4.377 1.00 0.00 C ATOM 448 SG CYS A 31 9.967 4.228 -3.284 1.00 0.00 S ATOM 0 H CYS A 31 9.709 1.360 -4.249 1.00 0.00 H new ATOM 0 HA CYS A 31 7.602 2.608 -2.836 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.137 3.336 -5.334 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.964 4.389 -4.569 1.00 0.00 H new ATOM 453 N THR A 32 5.654 1.589 -4.133 1.00 0.00 N ATOM 454 CA THR A 32 4.454 1.151 -4.818 1.00 0.00 C ATOM 455 C THR A 32 3.450 2.306 -4.769 1.00 0.00 C ATOM 456 O THR A 32 3.316 2.923 -3.714 1.00 0.00 O ATOM 457 CB THR A 32 3.935 -0.090 -4.081 1.00 0.00 C ATOM 458 OG1 THR A 32 4.959 -1.062 -4.009 1.00 0.00 O ATOM 459 CG2 THR A 32 2.714 -0.718 -4.758 1.00 0.00 C ATOM 0 H THR A 32 5.587 1.509 -3.118 1.00 0.00 H new ATOM 0 HA THR A 32 4.630 0.889 -5.861 1.00 0.00 H new ATOM 0 HB THR A 32 3.633 0.239 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.680 -0.736 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.393 -1.592 -4.191 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.903 0.010 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.975 -1.020 -5.772 1.00 0.00 H new ATOM 467 N PRO A 33 2.789 2.662 -5.883 1.00 0.00 N ATOM 468 CA PRO A 33 1.801 3.732 -5.907 1.00 0.00 C ATOM 469 C PRO A 33 0.743 3.590 -4.814 1.00 0.00 C ATOM 470 O PRO A 33 0.379 2.475 -4.440 1.00 0.00 O ATOM 471 CB PRO A 33 1.155 3.659 -7.292 1.00 0.00 C ATOM 472 CG PRO A 33 2.278 3.102 -8.164 1.00 0.00 C ATOM 473 CD PRO A 33 2.989 2.129 -7.222 1.00 0.00 C ATOM 0 HA PRO A 33 2.280 4.692 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.280 3.009 -7.296 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.825 4.639 -7.636 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.890 2.597 -9.049 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.947 3.889 -8.513 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.574 1.125 -7.310 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.050 2.057 -7.461 1.00 0.00 H new ATOM 481 N VAL A 34 0.253 4.722 -4.297 1.00 0.00 N ATOM 482 CA VAL A 34 -0.853 4.700 -3.346 1.00 0.00 C ATOM 483 C VAL A 34 -2.053 3.984 -3.982 1.00 0.00 C ATOM 484 O VAL A 34 -2.256 4.053 -5.194 1.00 0.00 O ATOM 485 CB VAL A 34 -1.264 6.118 -2.916 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.366 6.677 -1.815 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.294 7.107 -4.083 1.00 0.00 C ATOM 0 H VAL A 34 0.603 5.653 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.523 4.166 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.276 6.009 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.699 7.680 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.420 6.031 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.663 6.719 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.591 8.091 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.303 7.170 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.010 6.766 -4.831 1.00 0.00 H new ATOM 497 N GLY A 35 -2.865 3.311 -3.167 1.00 0.00 N ATOM 498 CA GLY A 35 -4.016 2.574 -3.659 1.00 0.00 C ATOM 499 C GLY A 35 -5.071 3.518 -4.239 1.00 0.00 C ATOM 500 O GLY A 35 -5.630 4.343 -3.519 1.00 0.00 O ATOM 0 H GLY A 35 -2.740 3.265 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.698 1.866 -4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.452 1.992 -2.847 1.00 0.00 H new ATOM 504 N THR A 36 -5.347 3.408 -5.539 1.00 0.00 N ATOM 505 CA THR A 36 -6.361 4.203 -6.220 1.00 0.00 C ATOM 506 C THR A 36 -7.636 3.363 -6.358 1.00 0.00 C ATOM 507 O THR A 36 -7.652 2.193 -5.978 1.00 0.00 O ATOM 508 CB THR A 36 -5.830 4.692 -7.578 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.447 3.610 -8.399 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.633 5.631 -7.404 1.00 0.00 C ATOM 0 H THR A 36 -4.864 2.754 -6.154 1.00 0.00 H new ATOM 0 HA THR A 36 -6.601 5.094 -5.639 1.00 0.00 H new ATOM 0 HB THR A 36 -6.645 5.235 -8.056 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.685 3.145 -7.993 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.282 5.958 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.934 6.499 -6.817 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.830 5.105 -6.888 1.00 0.00 H new ATOM 518 N SER A 37 -8.708 3.968 -6.873 1.00 0.00 N ATOM 519 CA SER A 37 -10.026 3.391 -7.074 1.00 0.00 C ATOM 520 C SER A 37 -10.025 1.897 -7.422 1.00 0.00 C ATOM 521 O SER A 37 -9.719 1.525 -8.552 1.00 0.00 O ATOM 522 CB SER A 37 -10.698 4.214 -8.177 1.00 0.00 C ATOM 523 OG SER A 37 -10.403 5.588 -7.968 1.00 0.00 O ATOM 0 H SER A 37 -8.669 4.940 -7.179 1.00 0.00 H new ATOM 0 HA SER A 37 -10.572 3.437 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.340 3.896 -9.156 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.776 4.053 -8.164 1.00 0.00 H new ATOM 0 HG SER A 37 -10.827 6.124 -8.670 1.00 0.00 H new ATOM 529 N GLY A 38 -10.387 1.045 -6.458 1.00 0.00 N ATOM 530 CA GLY A 38 -10.524 -0.390 -6.663 1.00 0.00 C ATOM 531 C GLY A 38 -9.261 -1.204 -6.375 1.00 0.00 C ATOM 532 O GLY A 38 -9.347 -2.428 -6.313 1.00 0.00 O ATOM 0 H GLY A 38 -10.594 1.341 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.329 -0.758 -6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.826 -0.568 -7.695 1.00 0.00 H new ATOM 536 N GLU A 39 -8.094 -0.578 -6.199 1.00 0.00 N ATOM 537 CA GLU A 39 -6.880 -1.323 -5.893 1.00 0.00 C ATOM 538 C GLU A 39 -6.956 -1.887 -4.472 1.00 0.00 C ATOM 539 O GLU A 39 -7.532 -1.258 -3.583 1.00 0.00 O ATOM 540 CB GLU A 39 -5.637 -0.443 -6.064 1.00 0.00 C ATOM 541 CG GLU A 39 -5.460 -0.003 -7.523 1.00 0.00 C ATOM 542 CD GLU A 39 -4.087 0.622 -7.747 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.887 1.745 -7.233 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.261 -0.034 -8.416 1.00 0.00 O ATOM 0 H GLU A 39 -7.969 0.432 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.797 -2.153 -6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.721 0.436 -5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.753 -0.991 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.584 -0.862 -8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.237 0.715 -7.786 1.00 0.00 H new ATOM 551 N ASP A 40 -6.380 -3.074 -4.264 1.00 0.00 N ATOM 552 CA ASP A 40 -6.360 -3.744 -2.972 1.00 0.00 C ATOM 553 C ASP A 40 -5.576 -2.924 -1.946 1.00 0.00 C ATOM 554 O ASP A 40 -4.636 -2.213 -2.300 1.00 0.00 O ATOM 555 CB ASP A 40 -5.770 -5.149 -3.120 1.00 0.00 C ATOM 556 CG ASP A 40 -6.659 -6.044 -3.977 1.00 0.00 C ATOM 557 OD1 ASP A 40 -6.525 -5.949 -5.217 1.00 0.00 O ATOM 558 OD2 ASP A 40 -7.462 -6.793 -3.382 1.00 0.00 O ATOM 0 H ASP A 40 -5.910 -3.599 -5.001 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.384 -3.835 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.779 -5.083 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.644 -5.597 -2.134 1.00 0.00 H new ATOM 563 N CYS A 41 -5.952 -3.041 -0.671 1.00 0.00 N ATOM 564 CA CYS A 41 -5.346 -2.318 0.441 1.00 0.00 C ATOM 565 C CYS A 41 -5.450 -3.162 1.703 1.00 0.00 C ATOM 566 O CYS A 41 -6.191 -4.143 1.737 1.00 0.00 O ATOM 567 CB CYS A 41 -6.078 -0.993 0.655 1.00 0.00 C ATOM 568 SG CYS A 41 -7.821 -1.198 1.084 1.00 0.00 S ATOM 0 H CYS A 41 -6.708 -3.660 -0.379 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.298 -2.118 0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.580 -0.435 1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.003 -0.394 -0.253 1.00 0.00 H new ATOM 573 N HIS A 42 -4.718 -2.764 2.745 1.00 0.00 N ATOM 574 CA HIS A 42 -4.705 -3.434 4.034 1.00 0.00 C ATOM 575 C HIS A 42 -5.004 -2.383 5.106 1.00 0.00 C ATOM 576 O HIS A 42 -4.291 -1.380 5.178 1.00 0.00 O ATOM 577 CB HIS A 42 -3.341 -4.089 4.241 1.00 0.00 C ATOM 578 CG HIS A 42 -3.275 -4.992 5.438 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.750 -4.618 6.696 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.821 -6.278 5.497 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.600 -5.716 7.444 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.042 -6.736 6.777 1.00 0.00 N ATOM 0 H HIS A 42 -4.106 -1.948 2.709 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.458 -4.220 4.090 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.086 -4.663 3.350 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.586 -3.309 4.344 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.371 -6.834 4.688 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.898 -5.775 8.480 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.825 -7.663 7.143 1.00 0.00 H new ATOM 590 N PRO A 43 -6.037 -2.579 5.941 1.00 0.00 N ATOM 591 CA PRO A 43 -6.452 -1.593 6.925 1.00 0.00 C ATOM 592 C PRO A 43 -5.411 -1.328 8.017 1.00 0.00 C ATOM 593 O PRO A 43 -5.535 -0.325 8.716 1.00 0.00 O ATOM 594 CB PRO A 43 -7.762 -2.130 7.510 1.00 0.00 C ATOM 595 CG PRO A 43 -7.606 -3.642 7.366 1.00 0.00 C ATOM 596 CD PRO A 43 -6.865 -3.772 6.037 1.00 0.00 C ATOM 0 HA PRO A 43 -6.577 -0.620 6.450 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.890 -1.835 8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.630 -1.760 6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.038 -4.072 8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.570 -4.149 7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.257 -4.676 6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.563 -3.835 5.202 1.00 0.00 H new ATOM 604 N ALA A 44 -4.392 -2.184 8.177 1.00 0.00 N ATOM 605 CA ALA A 44 -3.384 -1.997 9.215 1.00 0.00 C ATOM 606 C ALA A 44 -2.105 -1.353 8.673 1.00 0.00 C ATOM 607 O ALA A 44 -1.182 -1.111 9.449 1.00 0.00 O ATOM 608 CB ALA A 44 -3.071 -3.341 9.876 1.00 0.00 C ATOM 0 H ALA A 44 -4.249 -3.011 7.598 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.793 -1.311 9.957 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.318 -3.199 10.651 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.979 -3.747 10.322 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.693 -4.036 9.126 1.00 0.00 H new ATOM 614 N SER A 45 -2.008 -1.089 7.365 1.00 0.00 N ATOM 615 CA SER A 45 -0.829 -0.448 6.819 1.00 0.00 C ATOM 616 C SER A 45 -0.688 0.967 7.383 1.00 0.00 C ATOM 617 O SER A 45 -1.628 1.756 7.340 1.00 0.00 O ATOM 618 CB SER A 45 -0.925 -0.445 5.298 1.00 0.00 C ATOM 619 OG SER A 45 -0.861 -1.768 4.817 1.00 0.00 O ATOM 0 H SER A 45 -2.730 -1.311 6.679 1.00 0.00 H new ATOM 0 HA SER A 45 0.065 -1.000 7.107 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.858 0.022 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.114 0.146 4.874 1.00 0.00 H new ATOM 0 HG SER A 45 -0.684 -2.379 5.563 1.00 0.00 H new ATOM 625 N HIS A 46 0.507 1.283 7.887 1.00 0.00 N ATOM 626 CA HIS A 46 0.837 2.550 8.527 1.00 0.00 C ATOM 627 C HIS A 46 0.467 3.750 7.659 1.00 0.00 C ATOM 628 O HIS A 46 0.531 3.663 6.430 1.00 0.00 O ATOM 629 CB HIS A 46 2.344 2.601 8.807 1.00 0.00 C ATOM 630 CG HIS A 46 2.902 1.323 9.365 1.00 0.00 C ATOM 631 ND1 HIS A 46 3.115 0.216 8.540 1.00 0.00 N ATOM 632 CD2 HIS A 46 3.186 0.987 10.658 1.00 0.00 C ATOM 633 CE1 HIS A 46 3.576 -0.729 9.366 1.00 0.00 C ATOM 634 NE2 HIS A 46 3.635 -0.318 10.645 1.00 0.00 N ATOM 0 H HIS A 46 1.297 0.638 7.858 1.00 0.00 H new ATOM 0 HA HIS A 46 0.262 2.606 9.451 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.868 2.841 7.882 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.546 3.411 9.508 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.080 1.622 11.525 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.869 -1.716 9.041 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.950 -0.863 11.448 1.00 0.00 H new ATOM 642 N LYS A 47 0.164 4.883 8.297 1.00 0.00 N ATOM 643 CA LYS A 47 -0.135 6.127 7.596 1.00 0.00 C ATOM 644 C LYS A 47 1.036 6.518 6.685 1.00 0.00 C ATOM 645 O LYS A 47 2.126 5.956 6.787 1.00 0.00 O ATOM 646 CB LYS A 47 -0.440 7.242 8.606 1.00 0.00 C ATOM 647 CG LYS A 47 -1.708 6.991 9.434 1.00 0.00 C ATOM 648 CD LYS A 47 -2.957 6.906 8.543 1.00 0.00 C ATOM 649 CE LYS A 47 -4.254 6.966 9.359 1.00 0.00 C ATOM 650 NZ LYS A 47 -4.458 8.283 9.989 1.00 0.00 N ATOM 0 H LYS A 47 0.120 4.960 9.313 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.017 5.980 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.409 7.352 9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.546 8.186 8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.598 6.064 9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.833 7.793 10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.944 7.724 7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.931 5.978 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.100 6.741 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.231 6.196 10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.444 8.365 10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.819 8.381 10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.255 9.033 9.298 1.00 0.00 H new ATOM 664 N ILE A 48 0.805 7.450 5.762 1.00 0.00 N ATOM 665 CA ILE A 48 1.811 7.915 4.813 1.00 0.00 C ATOM 666 C ILE A 48 2.210 9.339 5.216 1.00 0.00 C ATOM 667 O ILE A 48 1.315 10.125 5.526 1.00 0.00 O ATOM 668 CB ILE A 48 1.226 7.881 3.385 1.00 0.00 C ATOM 669 CG1 ILE A 48 0.768 6.454 3.033 1.00 0.00 C ATOM 670 CG2 ILE A 48 2.242 8.376 2.344 1.00 0.00 C ATOM 671 CD1 ILE A 48 0.252 6.324 1.598 1.00 0.00 C ATOM 0 H ILE A 48 -0.099 7.909 5.652 1.00 0.00 H new ATOM 0 HA ILE A 48 2.692 7.274 4.826 1.00 0.00 H new ATOM 0 HB ILE A 48 0.369 8.554 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.601 5.766 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.018 6.151 3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.794 8.337 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.527 9.403 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.127 7.740 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.055 5.294 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.601 6.988 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.044 6.597 0.900 1.00 0.00 H new ATOM 683 N PRO A 49 3.500 9.714 5.174 1.00 0.00 N ATOM 684 CA PRO A 49 4.665 8.871 4.921 1.00 0.00 C ATOM 685 C PRO A 49 5.044 8.078 6.177 1.00 0.00 C ATOM 686 O PRO A 49 5.053 8.642 7.269 1.00 0.00 O ATOM 687 CB PRO A 49 5.804 9.841 4.563 1.00 0.00 C ATOM 688 CG PRO A 49 5.122 11.187 4.323 1.00 0.00 C ATOM 689 CD PRO A 49 3.911 11.103 5.245 1.00 0.00 C ATOM 0 HA PRO A 49 4.467 8.150 4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.533 9.907 5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.341 9.508 3.675 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.772 12.024 4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.832 11.316 3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.167 11.390 6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.114 11.771 4.917 1.00 0.00 H new ATOM 697 N PHE A 50 5.382 6.793 6.033 1.00 0.00 N ATOM 698 CA PHE A 50 5.866 5.965 7.133 1.00 0.00 C ATOM 699 C PHE A 50 7.388 5.896 7.046 1.00 0.00 C ATOM 700 O PHE A 50 7.944 5.862 5.950 1.00 0.00 O ATOM 701 CB PHE A 50 5.261 4.562 7.063 1.00 0.00 C ATOM 702 CG PHE A 50 5.699 3.616 8.167 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.543 3.978 9.518 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.215 2.347 7.845 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.940 3.094 10.537 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.537 1.434 8.863 1.00 0.00 C ATOM 707 CZ PHE A 50 6.429 1.819 10.210 1.00 0.00 C ATOM 0 H PHE A 50 5.326 6.298 5.143 1.00 0.00 H new ATOM 0 HA PHE A 50 5.566 6.404 8.084 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.175 4.650 7.091 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.521 4.119 6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.117 4.937 9.773 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.364 2.074 6.811 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.869 3.396 11.572 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.867 0.437 8.611 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.722 1.135 10.993 1.00 0.00 H new ATOM 717 N SER A 51 8.055 5.877 8.200 1.00 0.00 N ATOM 718 CA SER A 51 9.500 5.889 8.335 1.00 0.00 C ATOM 719 C SER A 51 10.142 4.497 8.342 1.00 0.00 C ATOM 720 O SER A 51 11.356 4.406 8.158 1.00 0.00 O ATOM 721 CB SER A 51 9.806 6.624 9.643 1.00 0.00 C ATOM 722 OG SER A 51 8.865 6.225 10.629 1.00 0.00 O ATOM 0 H SER A 51 7.577 5.852 9.101 1.00 0.00 H new ATOM 0 HA SER A 51 9.929 6.385 7.464 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.819 6.396 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.756 7.702 9.490 1.00 0.00 H new ATOM 0 HG SER A 51 9.055 6.690 11.470 1.00 0.00 H new ATOM 728 N GLY A 52 9.370 3.430 8.580 1.00 0.00 N ATOM 729 CA GLY A 52 9.891 2.072 8.692 1.00 0.00 C ATOM 730 C GLY A 52 9.542 1.180 7.500 1.00 0.00 C ATOM 731 O GLY A 52 8.977 1.622 6.501 1.00 0.00 O ATOM 0 H GLY A 52 8.359 3.491 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.975 2.116 8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.501 1.616 9.602 1.00 0.00 H new ATOM 735 N GLN A 53 9.866 -0.107 7.645 1.00 0.00 N ATOM 736 CA GLN A 53 9.616 -1.152 6.663 1.00 0.00 C ATOM 737 C GLN A 53 8.149 -1.581 6.765 1.00 0.00 C ATOM 738 O GLN A 53 7.718 -2.037 7.823 1.00 0.00 O ATOM 739 CB GLN A 53 10.520 -2.352 6.991 1.00 0.00 C ATOM 740 CG GLN A 53 12.022 -2.081 6.814 1.00 0.00 C ATOM 741 CD GLN A 53 12.466 -2.254 5.367 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.736 -3.366 4.922 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.516 -1.180 4.591 1.00 0.00 N ATOM 0 H GLN A 53 10.327 -0.458 8.484 1.00 0.00 H new ATOM 0 HA GLN A 53 9.825 -0.791 5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.337 -2.658 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.237 -3.190 6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.249 -1.067 7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.590 -2.759 7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.289 -0.263 4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.781 -1.271 3.610 1.00 0.00 H new ATOM 752 N ARG A 54 7.366 -1.430 5.695 1.00 0.00 N ATOM 753 CA ARG A 54 5.971 -1.847 5.707 1.00 0.00 C ATOM 754 C ARG A 54 5.881 -3.353 5.481 1.00 0.00 C ATOM 755 O ARG A 54 6.170 -3.842 4.390 1.00 0.00 O ATOM 756 CB ARG A 54 5.165 -1.120 4.632 1.00 0.00 C ATOM 757 CG ARG A 54 5.213 0.396 4.828 1.00 0.00 C ATOM 758 CD ARG A 54 4.477 1.076 3.675 1.00 0.00 C ATOM 759 NE ARG A 54 4.189 2.484 3.973 1.00 0.00 N ATOM 760 CZ ARG A 54 3.136 2.890 4.697 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.335 1.989 5.270 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.886 4.185 4.862 1.00 0.00 N ATOM 0 H ARG A 54 7.677 -1.023 4.813 1.00 0.00 H new ATOM 0 HA ARG A 54 5.551 -1.593 6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.557 -1.374 3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.130 -1.459 4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.753 0.666 5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.248 0.737 4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.080 1.011 2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.545 0.548 3.476 1.00 0.00 H new ATOM 0 HE ARG A 54 4.825 3.193 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.524 0.993 5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.534 2.296 5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.498 4.881 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.082 4.483 5.415 1.00 0.00 H new ATOM 776 N MET A 55 5.453 -4.091 6.506 1.00 0.00 N ATOM 777 CA MET A 55 5.283 -5.534 6.425 1.00 0.00 C ATOM 778 C MET A 55 4.319 -5.938 5.298 1.00 0.00 C ATOM 779 O MET A 55 4.479 -6.997 4.696 1.00 0.00 O ATOM 780 CB MET A 55 4.825 -6.067 7.793 1.00 0.00 C ATOM 781 CG MET A 55 3.391 -5.653 8.159 1.00 0.00 C ATOM 782 SD MET A 55 2.818 -6.140 9.806 1.00 0.00 S ATOM 783 CE MET A 55 3.676 -4.918 10.824 1.00 0.00 C ATOM 0 H MET A 55 5.215 -3.699 7.417 1.00 0.00 H new ATOM 0 HA MET A 55 6.242 -5.987 6.174 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.892 -7.155 7.792 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.507 -5.706 8.563 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.315 -4.569 8.076 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.712 -6.078 7.420 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.429 -5.080 11.873 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.752 -5.020 10.685 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.365 -3.916 10.529 1.00 0.00 H new ATOM 793 N HIS A 56 3.305 -5.107 5.030 1.00 0.00 N ATOM 794 CA HIS A 56 2.265 -5.413 4.059 1.00 0.00 C ATOM 795 C HIS A 56 2.716 -5.275 2.605 1.00 0.00 C ATOM 796 O HIS A 56 3.696 -4.607 2.269 1.00 0.00 O ATOM 797 CB HIS A 56 1.009 -4.578 4.337 1.00 0.00 C ATOM 798 CG HIS A 56 0.498 -4.742 5.739 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.311 -3.643 6.573 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.221 -5.887 6.437 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.075 -4.168 7.738 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.132 -5.508 7.715 1.00 0.00 N ATOM 0 H HIS A 56 3.188 -4.202 5.486 1.00 0.00 H new ATOM 0 HA HIS A 56 2.027 -6.469 4.187 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.231 -3.526 4.157 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.226 -4.863 3.634 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.270 -6.897 6.058 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.316 -3.576 8.608 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.386 -6.123 8.488 1.00 0.00 H new ATOM 810 N HIS A 57 1.945 -5.934 1.741 1.00 0.00 N ATOM 811 CA HIS A 57 2.164 -6.003 0.307 1.00 0.00 C ATOM 812 C HIS A 57 1.481 -4.862 -0.430 1.00 0.00 C ATOM 813 O HIS A 57 1.969 -4.366 -1.441 1.00 0.00 O ATOM 814 CB HIS A 57 1.581 -7.326 -0.206 1.00 0.00 C ATOM 815 CG HIS A 57 2.496 -8.023 -1.155 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.704 -9.390 -1.041 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.271 -7.525 -2.166 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.648 -9.644 -1.940 1.00 0.00 C ATOM 819 NE2 HIS A 57 4.087 -8.554 -2.577 1.00 0.00 N ATOM 0 H HIS A 57 1.119 -6.453 2.038 1.00 0.00 H new ATOM 0 HA HIS A 57 3.236 -5.933 0.123 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.374 -7.980 0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.629 -7.132 -0.700 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.247 -6.521 -2.564 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.025 -10.637 -2.138 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.866 -8.497 -3.233 1.00 0.00 H new ATOM 827 N THR A 58 0.306 -4.498 0.067 1.00 0.00 N ATOM 828 CA THR A 58 -0.579 -3.524 -0.521 1.00 0.00 C ATOM 829 C THR A 58 -0.395 -2.203 0.225 1.00 0.00 C ATOM 830 O THR A 58 -0.164 -2.230 1.433 1.00 0.00 O ATOM 831 CB THR A 58 -1.986 -4.114 -0.372 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.295 -4.253 1.003 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.033 -5.530 -0.979 1.00 0.00 C ATOM 0 H THR A 58 -0.065 -4.897 0.930 1.00 0.00 H new ATOM 0 HA THR A 58 -0.385 -3.316 -1.573 1.00 0.00 H new ATOM 0 HB THR A 58 -2.689 -3.450 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.195 -4.629 1.100 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.037 -5.940 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.776 -5.481 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.320 -6.171 -0.462 1.00 0.00 H new ATOM 841 N CYS A 59 -0.558 -1.064 -0.448 1.00 0.00 N ATOM 842 CA CYS A 59 -0.322 0.243 0.161 1.00 0.00 C ATOM 843 C CYS A 59 -1.633 0.865 0.627 1.00 0.00 C ATOM 844 O CYS A 59 -2.698 0.455 0.163 1.00 0.00 O ATOM 845 CB CYS A 59 0.315 1.190 -0.868 1.00 0.00 C ATOM 846 SG CYS A 59 2.099 1.030 -1.041 1.00 0.00 S ATOM 0 H CYS A 59 -0.855 -1.022 -1.423 1.00 0.00 H new ATOM 0 HA CYS A 59 0.342 0.101 1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.147 1.012 -1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.082 2.217 -0.588 1.00 0.00 H new ATOM 851 N PRO A 60 -1.579 1.843 1.551 1.00 0.00 N ATOM 852 CA PRO A 60 -2.761 2.586 1.936 1.00 0.00 C ATOM 853 C PRO A 60 -3.349 3.289 0.715 1.00 0.00 C ATOM 854 O PRO A 60 -2.713 3.414 -0.336 1.00 0.00 O ATOM 855 CB PRO A 60 -2.324 3.608 2.987 1.00 0.00 C ATOM 856 CG PRO A 60 -1.022 3.031 3.527 1.00 0.00 C ATOM 857 CD PRO A 60 -0.432 2.279 2.332 1.00 0.00 C ATOM 0 HA PRO A 60 -3.529 1.927 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.174 4.595 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.070 3.719 3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.351 3.816 3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.200 2.364 4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.222 2.924 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.168 1.429 2.659 1.00 0.00 H new ATOM 865 N CYS A 61 -4.569 3.780 0.880 1.00 0.00 N ATOM 866 CA CYS A 61 -5.301 4.411 -0.202 1.00 0.00 C ATOM 867 C CYS A 61 -4.829 5.837 -0.429 1.00 0.00 C ATOM 868 O CYS A 61 -4.351 6.497 0.494 1.00 0.00 O ATOM 869 CB CYS A 61 -6.799 4.359 0.085 1.00 0.00 C ATOM 870 SG CYS A 61 -7.424 2.677 0.248 1.00 0.00 S ATOM 0 H CYS A 61 -5.075 3.751 1.765 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.106 3.860 -1.122 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.007 4.909 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.335 4.864 -0.718 1.00 0.00 H new ATOM 875 N ALA A 62 -4.957 6.313 -1.668 1.00 0.00 N ATOM 876 CA ALA A 62 -4.583 7.670 -2.010 1.00 0.00 C ATOM 877 C ALA A 62 -5.430 8.634 -1.174 1.00 0.00 C ATOM 878 O ALA A 62 -6.649 8.451 -1.145 1.00 0.00 O ATOM 879 CB ALA A 62 -4.781 7.928 -3.495 1.00 0.00 C ATOM 0 H ALA A 62 -5.320 5.768 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.526 7.824 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.494 8.953 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.163 7.238 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.829 7.777 -3.754 1.00 0.00 H new ATOM 885 N PRO A 63 -4.804 9.619 -0.502 1.00 0.00 N ATOM 886 CA PRO A 63 -5.428 10.615 0.369 1.00 0.00 C ATOM 887 C PRO A 63 -6.660 11.309 -0.214 1.00 0.00 C ATOM 888 O PRO A 63 -6.611 12.456 -0.648 1.00 0.00 O ATOM 889 CB PRO A 63 -4.312 11.594 0.728 1.00 0.00 C ATOM 890 CG PRO A 63 -3.127 10.642 0.817 1.00 0.00 C ATOM 891 CD PRO A 63 -3.359 9.706 -0.366 1.00 0.00 C ATOM 0 HA PRO A 63 -5.845 10.124 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.172 12.361 -0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.500 12.111 1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.177 11.170 0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.112 10.102 1.764 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.900 10.097 -1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.920 8.725 -0.184 1.00 0.00 H new ATOM 899 N ASN A 64 -7.769 10.578 -0.170 1.00 0.00 N ATOM 900 CA ASN A 64 -9.098 10.917 -0.660 1.00 0.00 C ATOM 901 C ASN A 64 -9.984 9.676 -0.524 1.00 0.00 C ATOM 902 O ASN A 64 -11.077 9.748 0.031 1.00 0.00 O ATOM 903 CB ASN A 64 -9.056 11.387 -2.122 1.00 0.00 C ATOM 904 CG ASN A 64 -10.458 11.547 -2.692 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.093 12.581 -2.525 1.00 0.00 O ATOM 906 ND2 ASN A 64 -10.946 10.527 -3.390 1.00 0.00 N ATOM 0 H ASN A 64 -7.758 9.648 0.248 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.502 11.741 -0.072 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.525 12.337 -2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.497 10.668 -2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.875 10.591 -3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.391 9.680 -3.510 1.00 0.00 H new ATOM 913 N LEU A 65 -9.517 8.536 -1.043 1.00 0.00 N ATOM 914 CA LEU A 65 -10.207 7.271 -0.955 1.00 0.00 C ATOM 915 C LEU A 65 -9.905 6.630 0.401 1.00 0.00 C ATOM 916 O LEU A 65 -8.960 7.031 1.081 1.00 0.00 O ATOM 917 CB LEU A 65 -9.723 6.381 -2.101 1.00 0.00 C ATOM 918 CG LEU A 65 -10.087 6.920 -3.493 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.880 7.590 -4.161 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.573 5.769 -4.377 1.00 0.00 C ATOM 0 H LEU A 65 -8.630 8.479 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.285 7.406 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.640 6.273 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.151 5.385 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.875 7.663 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.168 7.962 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.538 8.422 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.074 6.864 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.831 6.152 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.783 5.024 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.452 5.309 -3.925 1.00 0.00 H new ATOM 932 N ALA A 66 -10.693 5.623 0.785 1.00 0.00 N ATOM 933 CA ALA A 66 -10.554 4.901 2.040 1.00 0.00 C ATOM 934 C ALA A 66 -10.444 3.403 1.768 1.00 0.00 C ATOM 935 O ALA A 66 -11.009 2.896 0.796 1.00 0.00 O ATOM 936 CB ALA A 66 -11.763 5.199 2.928 1.00 0.00 C ATOM 0 H ALA A 66 -11.465 5.282 0.212 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.648 5.224 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.664 4.660 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.814 6.270 3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.674 4.880 2.422 1.00 0.00 H new ATOM 942 N CYS A 67 -9.723 2.695 2.643 1.00 0.00 N ATOM 943 CA CYS A 67 -9.548 1.252 2.551 1.00 0.00 C ATOM 944 C CYS A 67 -10.808 0.602 3.115 1.00 0.00 C ATOM 945 O CYS A 67 -11.029 0.635 4.324 1.00 0.00 O ATOM 946 CB CYS A 67 -8.285 0.825 3.307 1.00 0.00 C ATOM 947 SG CYS A 67 -7.937 -0.936 3.144 1.00 0.00 S ATOM 0 H CYS A 67 -9.243 3.115 3.439 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.412 0.933 1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.434 1.395 2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.397 1.073 4.363 1.00 0.00 H new ATOM 952 N VAL A 68 -11.652 0.063 2.235 1.00 0.00 N ATOM 953 CA VAL A 68 -12.982 -0.432 2.552 1.00 0.00 C ATOM 954 C VAL A 68 -13.124 -1.882 2.096 1.00 0.00 C ATOM 955 O VAL A 68 -12.394 -2.360 1.233 1.00 0.00 O ATOM 956 CB VAL A 68 -13.991 0.488 1.841 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.447 0.035 1.923 1.00 0.00 C ATOM 958 CG2 VAL A 68 -13.933 1.922 2.389 1.00 0.00 C ATOM 0 H VAL A 68 -11.415 -0.042 1.248 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.165 -0.419 3.627 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.680 0.441 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.080 0.747 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.548 -0.950 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.754 -0.016 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.659 2.542 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.166 1.914 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.933 2.328 2.239 1.00 0.00 H new ATOM 968 N GLN A 69 -14.073 -2.592 2.696 1.00 0.00 N ATOM 969 CA GLN A 69 -14.361 -3.981 2.400 1.00 0.00 C ATOM 970 C GLN A 69 -15.192 -4.149 1.132 1.00 0.00 C ATOM 971 O GLN A 69 -16.205 -3.477 0.960 1.00 0.00 O ATOM 972 CB GLN A 69 -15.122 -4.575 3.590 1.00 0.00 C ATOM 973 CG GLN A 69 -14.153 -5.174 4.609 1.00 0.00 C ATOM 974 CD GLN A 69 -13.913 -6.645 4.282 1.00 0.00 C ATOM 975 OE1 GLN A 69 -14.797 -7.472 4.483 1.00 0.00 O ATOM 976 NE2 GLN A 69 -12.765 -6.990 3.710 1.00 0.00 N ATOM 0 H GLN A 69 -14.676 -2.202 3.420 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.416 -4.498 2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.724 -3.801 4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.810 -5.344 3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.209 -4.629 4.593 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.561 -5.076 5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.043 -6.287 3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.606 -7.958 3.429 1.00 0.00 H new ATOM 985 N THR A 70 -14.768 -5.080 0.274 1.00 0.00 N ATOM 986 CA THR A 70 -15.527 -5.515 -0.893 1.00 0.00 C ATOM 987 C THR A 70 -16.173 -6.861 -0.547 1.00 0.00 C ATOM 988 O THR A 70 -17.328 -7.116 -0.886 1.00 0.00 O ATOM 989 CB THR A 70 -14.641 -5.572 -2.144 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.523 -6.415 -1.964 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.153 -4.168 -2.511 1.00 0.00 C ATOM 0 H THR A 70 -13.873 -5.558 0.375 1.00 0.00 H new ATOM 0 HA THR A 70 -16.312 -4.799 -1.137 1.00 0.00 H new ATOM 0 HB THR A 70 -15.251 -5.981 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.120 -6.242 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.525 -4.222 -3.400 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.010 -3.525 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.575 -3.756 -1.684 1.00 0.00 H new ATOM 999 N SER A 71 -15.430 -7.731 0.144 1.00 0.00 N ATOM 1000 CA SER A 71 -15.885 -9.009 0.672 1.00 0.00 C ATOM 1001 C SER A 71 -14.919 -9.364 1.812 1.00 0.00 C ATOM 1002 O SER A 71 -13.862 -8.734 1.889 1.00 0.00 O ATOM 1003 CB SER A 71 -15.892 -10.083 -0.427 1.00 0.00 C ATOM 1004 OG SER A 71 -16.370 -9.577 -1.659 1.00 0.00 O ATOM 0 H SER A 71 -14.449 -7.549 0.357 1.00 0.00 H new ATOM 0 HA SER A 71 -16.910 -8.952 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.882 -10.471 -0.562 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.515 -10.920 -0.112 1.00 0.00 H new ATOM 0 HG SER A 71 -16.358 -10.289 -2.332 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.232 -10.338 2.686 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.364 -10.730 3.790 1.00 0.00 C ATOM 1012 C PRO A 72 -12.902 -10.835 3.351 1.00 0.00 C ATOM 1013 O PRO A 72 -12.611 -11.490 2.350 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.924 -12.062 4.293 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.420 -11.897 4.025 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.435 -11.155 2.688 1.00 0.00 C ATOM 0 HA PRO A 72 -14.358 -9.985 4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.504 -12.911 3.754 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.714 -12.220 5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.930 -12.858 3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.913 -11.326 4.812 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.437 -11.853 1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.329 -10.539 2.591 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.998 -10.139 4.053 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.562 -10.062 3.774 1.00 0.00 C ATOM 1026 C LYS A 73 -10.261 -9.150 2.576 1.00 0.00 C ATOM 1027 O LYS A 73 -9.300 -8.382 2.612 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.919 -11.447 3.585 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.263 -12.422 4.721 1.00 0.00 C ATOM 1030 CD LYS A 73 -9.702 -13.830 4.470 1.00 0.00 C ATOM 1031 CE LYS A 73 -10.177 -14.462 3.151 1.00 0.00 C ATOM 1032 NZ LYS A 73 -11.631 -14.318 2.946 1.00 0.00 N ATOM 0 H LYS A 73 -12.263 -9.589 4.870 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.107 -9.617 4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.250 -11.870 2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.837 -11.335 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.866 -12.037 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.346 -12.479 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.613 -13.782 4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.990 -14.479 5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.648 -13.998 2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.916 -15.520 3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.930 -14.914 2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.134 -14.614 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.856 -13.324 2.739 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.069 -9.221 1.516 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.899 -8.407 0.324 1.00 0.00 C ATOM 1048 C LYS A 74 -11.163 -6.928 0.630 1.00 0.00 C ATOM 1049 O LYS A 74 -12.273 -6.420 0.452 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.785 -8.912 -0.821 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.485 -10.369 -1.191 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.300 -10.813 -2.416 1.00 0.00 C ATOM 1053 CE LYS A 74 -11.976 -10.051 -3.709 1.00 0.00 C ATOM 1054 NZ LYS A 74 -10.533 -10.045 -4.009 1.00 0.00 N ATOM 0 H LYS A 74 -11.867 -9.854 1.467 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.863 -8.497 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.833 -8.821 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.638 -8.280 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.421 -10.482 -1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.715 -11.016 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.129 -11.876 -2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.360 -10.692 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.516 -10.505 -4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.331 -9.024 -3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.375 -9.624 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.031 -9.486 -3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.173 -11.021 -4.002 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.108 -6.233 1.050 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.107 -4.810 1.339 1.00 0.00 C ATOM 1070 C PHE A 75 -9.537 -4.088 0.119 1.00 0.00 C ATOM 1071 O PHE A 75 -8.439 -4.415 -0.333 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.231 -4.532 2.568 1.00 0.00 C ATOM 1073 CG PHE A 75 -9.972 -4.520 3.888 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.554 -3.323 4.347 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -9.978 -5.661 4.711 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.135 -3.265 5.624 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -10.604 -5.617 5.969 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.176 -4.417 6.430 1.00 0.00 C ATOM 0 H PHE A 75 -9.198 -6.667 1.203 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.118 -4.460 1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.446 -5.287 2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.739 -3.569 2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.554 -2.447 3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.502 -6.571 4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.550 -2.336 5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.646 -6.505 6.582 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.646 -4.380 7.402 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.287 -3.124 -0.425 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.896 -2.336 -1.583 1.00 0.00 C ATOM 1090 C LYS A 76 -10.211 -0.858 -1.345 1.00 0.00 C ATOM 1091 O LYS A 76 -10.995 -0.505 -0.465 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.565 -2.858 -2.863 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.484 -4.386 -2.992 1.00 0.00 C ATOM 1094 CD LYS A 76 -10.748 -4.819 -4.438 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.923 -6.338 -4.517 1.00 0.00 C ATOM 1096 NZ LYS A 76 -11.101 -6.780 -5.911 1.00 0.00 N ATOM 0 H LYS A 76 -11.204 -2.869 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.820 -2.436 -1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.611 -2.551 -2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.090 -2.398 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.499 -4.731 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.212 -4.852 -2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.643 -4.323 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.919 -4.508 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.052 -6.830 -4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.787 -6.639 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.217 -7.813 -5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.946 -6.327 -6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.265 -6.512 -6.469 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.576 0.015 -2.122 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.710 1.455 -1.973 1.00 0.00 C ATOM 1112 C CYS A 77 -10.973 1.965 -2.650 1.00 0.00 C ATOM 1113 O CYS A 77 -11.002 2.055 -3.878 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.471 2.144 -2.545 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.985 1.813 -1.588 1.00 0.00 S ATOM 0 H CYS A 77 -8.950 -0.263 -2.878 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.793 1.690 -0.912 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.318 1.812 -3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.643 3.220 -2.580 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.007 2.303 -1.870 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.244 2.862 -2.397 1.00 0.00 C ATOM 1122 C LEU A 78 -13.370 4.324 -1.971 1.00 0.00 C ATOM 1123 O LEU A 78 -12.708 4.778 -1.036 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.451 2.038 -1.932 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.396 0.564 -2.373 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.674 -0.144 -1.913 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.278 0.418 -3.896 1.00 0.00 C ATOM 0 H LEU A 78 -12.003 2.194 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.221 2.821 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.513 2.081 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.362 2.492 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.511 0.118 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.642 -1.189 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.750 -0.089 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.541 0.341 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.243 -0.639 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.141 0.882 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.367 0.908 -4.239 1.00 0.00 H new ATOM 1139 N SER A 79 -14.204 5.068 -2.696 1.00 0.00 N ATOM 1140 CA SER A 79 -14.471 6.471 -2.443 1.00 0.00 C ATOM 1141 C SER A 79 -15.184 6.672 -1.101 1.00 0.00 C ATOM 1142 O SER A 79 -15.540 5.711 -0.420 1.00 0.00 O ATOM 1143 CB SER A 79 -15.337 7.001 -3.592 1.00 0.00 C ATOM 1144 OG SER A 79 -14.885 6.453 -4.820 1.00 0.00 O ATOM 0 H SER A 79 -14.722 4.697 -3.493 1.00 0.00 H new ATOM 0 HA SER A 79 -13.529 7.017 -2.389 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.381 6.736 -3.426 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.286 8.089 -3.627 1.00 0.00 H new ATOM 0 HG SER A 79 -15.440 6.791 -5.553 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.410 7.936 -0.753 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.132 8.413 0.407 1.00 0.00 C ATOM 1152 C LYS A 80 -16.868 9.651 -0.103 1.00 0.00 C ATOM 1153 O LYS A 80 -17.800 10.099 0.597 1.00 0.00 O ATOM 1154 CB LYS A 80 -15.154 8.790 1.530 1.00 0.00 C ATOM 1155 CG LYS A 80 -14.442 7.590 2.173 1.00 0.00 C ATOM 1156 CD LYS A 80 -15.385 6.561 2.817 1.00 0.00 C ATOM 1157 CE LYS A 80 -16.353 7.192 3.825 1.00 0.00 C ATOM 1158 NZ LYS A 80 -17.146 6.162 4.518 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.470 10.112 -1.201 1.00 0.00 O ATOM 0 H LYS A 80 -15.063 8.707 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.806 7.665 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.404 9.472 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.698 9.333 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.842 7.089 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.752 7.957 2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.957 6.060 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.793 5.796 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.792 7.776 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.020 7.883 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.792 6.618 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.698 5.622 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.508 5.518 5.029 1.00 0.00 H new TER 1173 LYS A 80