USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 79 HIS HD1 : A 79 HIS ND1 : A 138 ZNZN :(H bumps) USER MOD NoAdj-H: A 102 HIS HE2 : A 102 HIS NE2 : A 139 ZNZN :(H bumps) USER MOD Set 1.1: A 96 GLN : amide:sc= -0.283 K(o=0.11,f=-2.4!) USER MOD Set 1.2: A 113 SER OG : rot -35:sc= 0.392 USER MOD Set 2.1: A 73 HIS : no HE2:sc= -2.18 X(o=-4.3,f=-4.4!) USER MOD Set 2.2: A 99 SER OG : rot -41:sc= -2.11 USER MOD Single : A 55 GLN : amide:sc= -0.652 K(o=-0.65,f=-1.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -108:sc= -0.385 (180deg=-3.15!) USER MOD Single : A 64 LYS NZ :NH3+ 155:sc= -0.134 (180deg=-0.536) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.731 K(o=-0.73,f=-0.094) USER MOD Single : A 74 LYS NZ :NH3+ -131:sc= -0.3 (180deg=-1.11) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.025) USER MOD Single : A 92 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.4) USER MOD Single : A 97 GLN : amide:sc= -1.68 K(o=-1.7,f=-3.7!) USER MOD Single : A 105 GLN : amide:sc= -0.0686 X(o=-0.069,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 HIS : no HE2:sc= 0.381 K(o=0.38,f=-2.1!) USER MOD Single : A 122 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.8!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= -0.301 USER MOD Single : A 129 SER OG : rot 10:sc= 0.847 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 51 -8.309 24.714 3.207 1.00 0.00 N ATOM 2 CA LEU A 51 -8.282 24.830 1.726 1.00 0.00 C ATOM 3 C LEU A 51 -8.668 23.511 1.062 1.00 0.00 C ATOM 4 O LEU A 51 -8.333 22.434 1.556 1.00 0.00 O ATOM 5 CB LEU A 51 -6.875 25.247 1.294 1.00 0.00 C ATOM 6 CG LEU A 51 -6.822 26.233 0.123 1.00 0.00 C ATOM 7 CD1 LEU A 51 -5.794 27.322 0.384 1.00 0.00 C ATOM 8 CD2 LEU A 51 -6.509 25.503 -1.175 1.00 0.00 C ATOM 0 HA LEU A 51 -9.008 25.580 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.366 25.694 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.315 24.352 1.022 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.801 26.703 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.772 28.012 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.062 27.865 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.810 26.871 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.475 26.219 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.544 25.004 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.284 24.762 -1.372 1.00 0.00 H new ATOM 20 N ARG A 52 -9.379 23.604 -0.057 1.00 0.00 N ATOM 21 CA ARG A 52 -9.814 22.419 -0.787 1.00 0.00 C ATOM 22 C ARG A 52 -8.670 21.834 -1.609 1.00 0.00 C ATOM 23 O ARG A 52 -8.370 22.311 -2.704 1.00 0.00 O ATOM 24 CB ARG A 52 -10.991 22.762 -1.702 1.00 0.00 C ATOM 25 CG ARG A 52 -12.204 23.293 -0.956 1.00 0.00 C ATOM 26 CD ARG A 52 -12.731 22.277 0.044 1.00 0.00 C ATOM 27 NE ARG A 52 -14.088 22.594 0.483 1.00 0.00 N ATOM 28 CZ ARG A 52 -14.375 23.525 1.390 1.00 0.00 C ATOM 29 NH1 ARG A 52 -13.405 24.231 1.957 1.00 0.00 N ATOM 30 NH2 ARG A 52 -15.637 23.750 1.732 1.00 0.00 N ATOM 0 H ARG A 52 -9.666 24.488 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.133 21.672 -0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.669 23.505 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.279 21.871 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.938 24.213 -0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.989 23.545 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.718 21.285 -0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.069 22.243 0.909 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.861 22.071 0.070 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.433 24.062 1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.631 24.943 2.651 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.387 23.210 1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.858 24.463 2.427 1.00 0.00 H new ATOM 44 N LEU A 53 -8.032 20.799 -1.072 1.00 0.00 N ATOM 45 CA LEU A 53 -6.919 20.148 -1.755 1.00 0.00 C ATOM 46 C LEU A 53 -7.131 18.639 -1.833 1.00 0.00 C ATOM 47 O LEU A 53 -6.854 18.017 -2.860 1.00 0.00 O ATOM 48 CB LEU A 53 -5.605 20.452 -1.033 1.00 0.00 C ATOM 49 CG LEU A 53 -5.326 21.936 -0.799 1.00 0.00 C ATOM 50 CD1 LEU A 53 -4.479 22.130 0.448 1.00 0.00 C ATOM 51 CD2 LEU A 53 -4.638 22.544 -2.013 1.00 0.00 C ATOM 0 H LEU A 53 -8.266 20.393 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.870 20.541 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.611 19.942 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.784 20.030 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.277 22.447 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.291 23.193 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.008 21.729 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.530 21.607 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.446 23.601 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.694 22.029 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.281 22.437 -2.887 1.00 0.00 H new ATOM 63 N CYS A 54 -7.622 18.053 -0.744 1.00 0.00 N ATOM 64 CA CYS A 54 -7.870 16.615 -0.689 1.00 0.00 C ATOM 65 C CYS A 54 -8.721 16.159 -1.871 1.00 0.00 C ATOM 66 O CYS A 54 -9.699 16.813 -2.233 1.00 0.00 O ATOM 67 CB CYS A 54 -8.562 16.246 0.625 1.00 0.00 C ATOM 68 SG CYS A 54 -8.382 14.510 1.093 1.00 0.00 S ATOM 0 H CYS A 54 -7.856 18.553 0.114 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.908 16.105 -0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.159 16.870 1.423 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.623 16.481 0.542 1.00 0.00 H new ATOM 73 N GLN A 55 -8.341 15.034 -2.465 1.00 0.00 N ATOM 74 CA GLN A 55 -9.066 14.489 -3.607 1.00 0.00 C ATOM 75 C GLN A 55 -10.272 13.672 -3.148 1.00 0.00 C ATOM 76 O GLN A 55 -11.269 13.565 -3.862 1.00 0.00 O ATOM 77 CB GLN A 55 -8.141 13.619 -4.459 1.00 0.00 C ATOM 78 CG GLN A 55 -7.496 12.479 -3.685 1.00 0.00 C ATOM 79 CD GLN A 55 -8.004 11.118 -4.119 1.00 0.00 C ATOM 80 OE1 GLN A 55 -9.073 11.004 -4.720 1.00 0.00 O ATOM 81 NE2 GLN A 55 -7.239 10.075 -3.817 1.00 0.00 N ATOM 0 H GLN A 55 -7.535 14.481 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.423 15.324 -4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.710 13.206 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.358 14.246 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.415 12.519 -3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.689 12.612 -2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.360 10.214 -3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.530 9.135 -4.084 1.00 0.00 H new ATOM 90 N VAL A 56 -10.173 13.096 -1.954 1.00 0.00 N ATOM 91 CA VAL A 56 -11.256 12.288 -1.403 1.00 0.00 C ATOM 92 C VAL A 56 -12.548 13.094 -1.302 1.00 0.00 C ATOM 93 O VAL A 56 -12.522 14.286 -0.994 1.00 0.00 O ATOM 94 CB VAL A 56 -10.903 11.736 -0.009 1.00 0.00 C ATOM 95 CG1 VAL A 56 -11.892 10.658 0.407 1.00 0.00 C ATOM 96 CG2 VAL A 56 -9.480 11.199 0.013 1.00 0.00 C ATOM 0 H VAL A 56 -9.355 13.173 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.400 11.453 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.968 12.554 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.625 10.281 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.897 11.079 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.864 9.841 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.252 10.814 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.383 10.396 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.785 12.001 -0.234 1.00 0.00 H new ATOM 106 N ASP A 57 -13.672 12.435 -1.558 1.00 0.00 N ATOM 107 CA ASP A 57 -14.972 13.089 -1.493 1.00 0.00 C ATOM 108 C ASP A 57 -15.530 13.048 -0.075 1.00 0.00 C ATOM 109 O ASP A 57 -15.106 12.235 0.747 1.00 0.00 O ATOM 110 CB ASP A 57 -15.952 12.419 -2.458 1.00 0.00 C ATOM 111 CG ASP A 57 -15.490 12.500 -3.900 1.00 0.00 C ATOM 112 OD1 ASP A 57 -15.699 13.558 -4.531 1.00 0.00 O ATOM 113 OD2 ASP A 57 -14.922 11.507 -4.398 1.00 0.00 O ATOM 0 H ASP A 57 -13.709 11.448 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.842 14.131 -1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.076 11.373 -2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.930 12.892 -2.365 1.00 0.00 H new ATOM 118 N ARG A 58 -16.483 13.931 0.205 1.00 0.00 N ATOM 119 CA ARG A 58 -17.103 13.998 1.525 1.00 0.00 C ATOM 120 C ARG A 58 -16.093 14.422 2.589 1.00 0.00 C ATOM 121 O ARG A 58 -16.302 14.191 3.780 1.00 0.00 O ATOM 122 CB ARG A 58 -17.716 12.644 1.893 1.00 0.00 C ATOM 123 CG ARG A 58 -19.229 12.601 1.742 1.00 0.00 C ATOM 124 CD ARG A 58 -19.757 11.177 1.801 1.00 0.00 C ATOM 125 NE ARG A 58 -19.689 10.619 3.150 1.00 0.00 N ATOM 126 CZ ARG A 58 -18.649 9.932 3.623 1.00 0.00 C ATOM 127 NH1 ARG A 58 -17.581 9.719 2.864 1.00 0.00 N ATOM 128 NH2 ARG A 58 -18.678 9.457 4.860 1.00 0.00 N ATOM 0 H ARG A 58 -16.844 14.611 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.892 14.749 1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.274 11.871 1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -17.455 12.404 2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -19.691 13.194 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.514 13.056 0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -20.790 11.160 1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -19.182 10.549 1.120 1.00 0.00 H new ATOM 0 HE ARG A 58 -20.487 10.764 3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.552 10.082 1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.789 9.192 3.234 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.495 9.617 5.449 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.883 8.931 5.223 1.00 0.00 H new ATOM 142 N CYS A 59 -15.000 15.047 2.158 1.00 0.00 N ATOM 143 CA CYS A 59 -13.968 15.503 3.083 1.00 0.00 C ATOM 144 C CYS A 59 -14.286 16.901 3.603 1.00 0.00 C ATOM 145 O CYS A 59 -14.801 17.744 2.869 1.00 0.00 O ATOM 146 CB CYS A 59 -12.600 15.500 2.399 1.00 0.00 C ATOM 147 SG CYS A 59 -11.225 15.905 3.503 1.00 0.00 S ATOM 0 H CYS A 59 -14.807 15.248 1.177 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.944 14.815 3.928 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.425 14.516 1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.615 16.215 1.576 1.00 0.00 H new ATOM 152 N THR A 60 -13.975 17.142 4.873 1.00 0.00 N ATOM 153 CA THR A 60 -14.228 18.439 5.488 1.00 0.00 C ATOM 154 C THR A 60 -13.087 18.841 6.419 1.00 0.00 C ATOM 155 O THR A 60 -13.286 19.600 7.368 1.00 0.00 O ATOM 156 CB THR A 60 -15.546 18.434 6.285 1.00 0.00 C ATOM 157 OG1 THR A 60 -15.662 17.220 7.035 1.00 0.00 O ATOM 158 CG2 THR A 60 -16.741 18.577 5.356 1.00 0.00 C ATOM 0 H THR A 60 -13.548 16.456 5.495 1.00 0.00 H new ATOM 0 HA THR A 60 -14.303 19.163 4.677 1.00 0.00 H new ATOM 0 HB THR A 60 -15.533 19.283 6.969 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.502 17.226 7.540 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.660 18.571 5.942 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.666 19.517 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 60 -16.755 17.746 4.651 1.00 0.00 H new ATOM 166 N ALA A 61 -11.892 18.329 6.141 1.00 0.00 N ATOM 167 CA ALA A 61 -10.722 18.637 6.955 1.00 0.00 C ATOM 168 C ALA A 61 -9.995 19.870 6.426 1.00 0.00 C ATOM 169 O ALA A 61 -9.640 19.936 5.250 1.00 0.00 O ATOM 170 CB ALA A 61 -9.779 17.445 6.996 1.00 0.00 C ATOM 0 H ALA A 61 -11.709 17.700 5.359 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.062 18.853 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.910 17.689 7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.296 16.587 7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.454 17.203 5.984 1.00 0.00 H new ATOM 176 N ASP A 62 -9.776 20.844 7.303 1.00 0.00 N ATOM 177 CA ASP A 62 -9.092 22.074 6.924 1.00 0.00 C ATOM 178 C ASP A 62 -7.616 21.810 6.646 1.00 0.00 C ATOM 179 O ASP A 62 -6.863 21.430 7.543 1.00 0.00 O ATOM 180 CB ASP A 62 -9.235 23.124 8.028 1.00 0.00 C ATOM 181 CG ASP A 62 -9.054 24.537 7.509 1.00 0.00 C ATOM 182 OD1 ASP A 62 -8.472 24.698 6.416 1.00 0.00 O ATOM 183 OD2 ASP A 62 -9.494 25.482 8.196 1.00 0.00 O ATOM 0 H ASP A 62 -10.062 20.805 8.281 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.554 22.452 6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.219 23.032 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.499 22.929 8.808 1.00 0.00 H new ATOM 188 N MET A 63 -7.208 22.011 5.397 1.00 0.00 N ATOM 189 CA MET A 63 -5.822 21.791 5.000 1.00 0.00 C ATOM 190 C MET A 63 -5.048 23.105 4.970 1.00 0.00 C ATOM 191 O MET A 63 -4.157 23.294 4.143 1.00 0.00 O ATOM 192 CB MET A 63 -5.762 21.117 3.629 1.00 0.00 C ATOM 193 CG MET A 63 -6.388 19.732 3.603 1.00 0.00 C ATOM 194 SD MET A 63 -5.734 18.698 2.279 1.00 0.00 S ATOM 195 CE MET A 63 -4.082 18.370 2.889 1.00 0.00 C ATOM 0 H MET A 63 -7.818 22.326 4.642 1.00 0.00 H new ATOM 0 HA MET A 63 -5.359 21.136 5.738 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.269 21.749 2.900 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.721 21.042 3.316 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.215 19.241 4.561 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.467 19.828 3.484 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.357 18.926 2.294 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.011 18.681 3.931 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.871 17.303 2.813 1.00 0.00 H new ATOM 205 N LYS A 64 -5.396 24.012 5.877 1.00 0.00 N ATOM 206 CA LYS A 64 -4.734 25.309 5.955 1.00 0.00 C ATOM 207 C LYS A 64 -3.436 25.209 6.751 1.00 0.00 C ATOM 208 O LYS A 64 -2.476 25.932 6.485 1.00 0.00 O ATOM 209 CB LYS A 64 -5.661 26.343 6.594 1.00 0.00 C ATOM 210 CG LYS A 64 -5.454 27.753 6.070 1.00 0.00 C ATOM 211 CD LYS A 64 -5.998 27.911 4.660 1.00 0.00 C ATOM 212 CE LYS A 64 -5.423 29.139 3.974 1.00 0.00 C ATOM 213 NZ LYS A 64 -3.950 29.030 3.782 1.00 0.00 N ATOM 0 H LYS A 64 -6.133 23.873 6.568 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.494 25.628 4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.696 26.048 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.506 26.339 7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.947 28.464 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.391 27.993 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.760 27.022 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.085 27.988 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.906 29.274 3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.647 30.025 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.659 29.627 2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.463 29.346 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.698 28.040 3.585 1.00 0.00 H new ATOM 227 N GLU A 65 -3.417 24.311 7.729 1.00 0.00 N ATOM 228 CA GLU A 65 -2.237 24.117 8.566 1.00 0.00 C ATOM 229 C GLU A 65 -1.688 22.702 8.415 1.00 0.00 C ATOM 230 O GLU A 65 -1.129 22.139 9.355 1.00 0.00 O ATOM 231 CB GLU A 65 -2.576 24.390 10.032 1.00 0.00 C ATOM 232 CG GLU A 65 -2.391 25.844 10.438 1.00 0.00 C ATOM 233 CD GLU A 65 -1.132 26.065 11.254 1.00 0.00 C ATOM 234 OE1 GLU A 65 -0.027 25.893 10.699 1.00 0.00 O ATOM 235 OE2 GLU A 65 -1.252 26.413 12.448 1.00 0.00 O ATOM 0 H GLU A 65 -4.204 23.706 7.963 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.472 24.821 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.610 24.098 10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.949 23.762 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.354 26.465 9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.256 26.169 11.016 1.00 0.00 H new ATOM 242 N ALA A 66 -1.852 22.133 7.225 1.00 0.00 N ATOM 243 CA ALA A 66 -1.373 20.784 6.951 1.00 0.00 C ATOM 244 C ALA A 66 0.119 20.786 6.638 1.00 0.00 C ATOM 245 O ALA A 66 0.766 21.832 6.657 1.00 0.00 O ATOM 246 CB ALA A 66 -2.155 20.171 5.800 1.00 0.00 C ATOM 0 H ALA A 66 -2.313 22.585 6.436 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.530 20.180 7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.787 19.164 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.212 20.127 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.027 20.782 4.907 1.00 0.00 H new ATOM 252 N LYS A 67 0.659 19.607 6.350 1.00 0.00 N ATOM 253 CA LYS A 67 2.077 19.472 6.033 1.00 0.00 C ATOM 254 C LYS A 67 2.285 19.316 4.529 1.00 0.00 C ATOM 255 O LYS A 67 1.329 19.132 3.776 1.00 0.00 O ATOM 256 CB LYS A 67 2.675 18.272 6.771 1.00 0.00 C ATOM 257 CG LYS A 67 4.046 18.546 7.366 1.00 0.00 C ATOM 258 CD LYS A 67 3.981 19.606 8.454 1.00 0.00 C ATOM 259 CE LYS A 67 3.898 18.981 9.837 1.00 0.00 C ATOM 260 NZ LYS A 67 2.501 18.949 10.349 1.00 0.00 N ATOM 0 H LYS A 67 0.137 18.731 6.329 1.00 0.00 H new ATOM 0 HA LYS A 67 2.585 20.379 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.996 17.971 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.749 17.432 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.455 17.624 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.726 18.872 6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.863 20.244 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.113 20.245 8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.295 17.966 9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.525 19.544 10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.488 18.516 11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.130 19.919 10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.907 18.390 9.703 1.00 0.00 H new ATOM 274 N LEU A 68 3.540 19.391 4.100 1.00 0.00 N ATOM 275 CA LEU A 68 3.873 19.260 2.686 1.00 0.00 C ATOM 276 C LEU A 68 3.772 17.806 2.222 1.00 0.00 C ATOM 277 O LEU A 68 3.844 17.524 1.027 1.00 0.00 O ATOM 278 CB LEU A 68 5.285 19.794 2.424 1.00 0.00 C ATOM 279 CG LEU A 68 5.393 20.797 1.274 1.00 0.00 C ATOM 280 CD1 LEU A 68 6.502 21.803 1.545 1.00 0.00 C ATOM 281 CD2 LEU A 68 5.639 20.073 -0.042 1.00 0.00 C ATOM 0 H LEU A 68 4.343 19.542 4.710 1.00 0.00 H new ATOM 0 HA LEU A 68 3.153 19.848 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.653 20.267 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.943 18.951 2.214 1.00 0.00 H new ATOM 0 HG LEU A 68 4.450 21.338 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.564 22.508 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.286 22.344 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.452 21.279 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.713 20.801 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.568 19.507 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.812 19.392 -0.243 1.00 0.00 H new ATOM 293 N TYR A 69 3.602 16.887 3.171 1.00 0.00 N ATOM 294 CA TYR A 69 3.491 15.469 2.848 1.00 0.00 C ATOM 295 C TYR A 69 2.084 15.127 2.367 1.00 0.00 C ATOM 296 O TYR A 69 1.894 14.192 1.589 1.00 0.00 O ATOM 297 CB TYR A 69 3.847 14.618 4.068 1.00 0.00 C ATOM 298 CG TYR A 69 3.936 13.139 3.770 1.00 0.00 C ATOM 299 CD1 TYR A 69 5.045 12.606 3.125 1.00 0.00 C ATOM 300 CD2 TYR A 69 2.911 12.274 4.136 1.00 0.00 C ATOM 301 CE1 TYR A 69 5.130 11.254 2.850 1.00 0.00 C ATOM 302 CE2 TYR A 69 2.989 10.922 3.866 1.00 0.00 C ATOM 303 CZ TYR A 69 4.100 10.416 3.223 1.00 0.00 C ATOM 304 OH TYR A 69 4.181 9.070 2.952 1.00 0.00 O ATOM 0 H TYR A 69 3.538 17.100 4.167 1.00 0.00 H new ATOM 0 HA TYR A 69 4.192 15.250 2.043 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.802 14.957 4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.098 14.779 4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.854 13.259 2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.040 12.666 4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.998 10.856 2.346 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.184 10.264 4.157 1.00 0.00 H new ATOM 0 HH TYR A 69 3.374 8.621 3.281 1.00 0.00 H new ATOM 314 N HIS A 70 1.101 15.890 2.837 1.00 0.00 N ATOM 315 CA HIS A 70 -0.289 15.666 2.454 1.00 0.00 C ATOM 316 C HIS A 70 -0.704 16.617 1.335 1.00 0.00 C ATOM 317 O HIS A 70 -1.806 17.166 1.350 1.00 0.00 O ATOM 318 CB HIS A 70 -1.207 15.850 3.663 1.00 0.00 C ATOM 319 CG HIS A 70 -1.099 14.749 4.672 1.00 0.00 C ATOM 320 ND1 HIS A 70 -1.095 14.971 6.032 1.00 0.00 N ATOM 321 CD2 HIS A 70 -0.993 13.408 4.511 1.00 0.00 C ATOM 322 CE1 HIS A 70 -0.990 13.816 6.665 1.00 0.00 C ATOM 323 NE2 HIS A 70 -0.927 12.853 5.766 1.00 0.00 N ATOM 0 H HIS A 70 1.241 16.667 3.482 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.381 14.643 2.089 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.972 16.798 4.146 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.239 15.915 3.318 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.966 12.875 3.572 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.961 13.683 7.736 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.843 11.857 5.970 1.00 0.00 H new ATOM 331 N ARG A 71 0.183 16.806 0.364 1.00 0.00 N ATOM 332 CA ARG A 71 -0.093 17.691 -0.762 1.00 0.00 C ATOM 333 C ARG A 71 0.121 16.970 -2.089 1.00 0.00 C ATOM 334 O ARG A 71 -0.780 16.908 -2.925 1.00 0.00 O ATOM 335 CB ARG A 71 0.801 18.933 -0.692 1.00 0.00 C ATOM 336 CG ARG A 71 0.201 20.071 0.117 1.00 0.00 C ATOM 337 CD ARG A 71 0.107 21.351 -0.698 1.00 0.00 C ATOM 338 NE ARG A 71 1.422 21.943 -0.939 1.00 0.00 N ATOM 339 CZ ARG A 71 1.622 23.018 -1.700 1.00 0.00 C ATOM 340 NH1 ARG A 71 0.599 23.620 -2.293 1.00 0.00 N ATOM 341 NH2 ARG A 71 2.849 23.492 -1.867 1.00 0.00 N ATOM 0 H ARG A 71 1.099 16.358 0.334 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.137 17.998 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.761 18.655 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.000 19.284 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.792 19.787 0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.810 20.248 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.376 21.139 -1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.524 22.069 -0.174 1.00 0.00 H new ATOM 0 HE ARG A 71 2.233 21.508 -0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.347 23.260 -2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.759 24.443 -2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.639 23.034 -1.413 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.003 24.315 -2.450 1.00 0.00 H new ATOM 355 N ARG A 72 1.319 16.428 -2.275 1.00 0.00 N ATOM 356 CA ARG A 72 1.651 15.710 -3.503 1.00 0.00 C ATOM 357 C ARG A 72 0.700 14.538 -3.722 1.00 0.00 C ATOM 358 O ARG A 72 0.403 14.171 -4.859 1.00 0.00 O ATOM 359 CB ARG A 72 3.095 15.208 -3.449 1.00 0.00 C ATOM 360 CG ARG A 72 3.527 14.461 -4.702 1.00 0.00 C ATOM 361 CD ARG A 72 4.982 14.028 -4.621 1.00 0.00 C ATOM 362 NE ARG A 72 5.841 14.833 -5.487 1.00 0.00 N ATOM 363 CZ ARG A 72 7.165 14.910 -5.353 1.00 0.00 C ATOM 364 NH1 ARG A 72 7.782 14.233 -4.392 1.00 0.00 N ATOM 365 NH2 ARG A 72 7.871 15.665 -6.182 1.00 0.00 N ATOM 0 H ARG A 72 2.076 16.471 -1.593 1.00 0.00 H new ATOM 0 HA ARG A 72 1.545 16.401 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.761 16.057 -3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.211 14.552 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.893 13.585 -4.841 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.385 15.099 -5.574 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.328 14.109 -3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.064 12.978 -4.903 1.00 0.00 H new ATOM 0 HE ARG A 72 5.402 15.367 -6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.243 13.650 -3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.795 14.296 -4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.401 16.187 -6.922 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.884 15.724 -6.080 1.00 0.00 H new ATOM 379 N HIS A 73 0.225 13.955 -2.626 1.00 0.00 N ATOM 380 CA HIS A 73 -0.693 12.824 -2.697 1.00 0.00 C ATOM 381 C HIS A 73 -2.142 13.293 -2.812 1.00 0.00 C ATOM 382 O HIS A 73 -3.030 12.508 -3.147 1.00 0.00 O ATOM 383 CB HIS A 73 -0.531 11.933 -1.465 1.00 0.00 C ATOM 384 CG HIS A 73 0.895 11.595 -1.156 1.00 0.00 C ATOM 385 ND1 HIS A 73 1.775 11.110 -2.100 1.00 0.00 N ATOM 386 CD2 HIS A 73 1.594 11.675 0.002 1.00 0.00 C ATOM 387 CE1 HIS A 73 2.953 10.906 -1.537 1.00 0.00 C ATOM 388 NE2 HIS A 73 2.869 11.242 -0.263 1.00 0.00 N ATOM 0 H HIS A 73 0.461 14.247 -1.678 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.448 12.250 -3.591 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.972 12.434 -0.603 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.090 11.010 -1.618 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.552 10.936 -3.080 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.218 12.016 0.955 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.834 10.529 -2.034 1.00 0.00 H new ATOM 396 N LYS A 74 -2.377 14.572 -2.533 1.00 0.00 N ATOM 397 CA LYS A 74 -3.721 15.138 -2.607 1.00 0.00 C ATOM 398 C LYS A 74 -4.648 14.470 -1.595 1.00 0.00 C ATOM 399 O LYS A 74 -5.844 14.318 -1.843 1.00 0.00 O ATOM 400 CB LYS A 74 -4.287 14.982 -4.020 1.00 0.00 C ATOM 401 CG LYS A 74 -3.980 16.160 -4.931 1.00 0.00 C ATOM 402 CD LYS A 74 -4.245 15.822 -6.391 1.00 0.00 C ATOM 403 CE LYS A 74 -5.302 16.734 -6.993 1.00 0.00 C ATOM 404 NZ LYS A 74 -6.526 16.801 -6.145 1.00 0.00 N ATOM 0 H LYS A 74 -1.655 15.236 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.656 16.199 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.883 14.073 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.368 14.853 -3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.589 17.015 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.938 16.454 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.319 15.912 -6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.570 14.785 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.890 17.736 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.568 16.375 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.367 16.646 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.480 16.067 -5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.586 17.737 -5.696 1.00 0.00 H new ATOM 418 N VAL A 75 -4.088 14.079 -0.457 1.00 0.00 N ATOM 419 CA VAL A 75 -4.863 13.430 0.594 1.00 0.00 C ATOM 420 C VAL A 75 -4.454 13.945 1.971 1.00 0.00 C ATOM 421 O VAL A 75 -3.287 14.256 2.204 1.00 0.00 O ATOM 422 CB VAL A 75 -4.695 11.898 0.552 1.00 0.00 C ATOM 423 CG1 VAL A 75 -3.237 11.511 0.760 1.00 0.00 C ATOM 424 CG2 VAL A 75 -5.586 11.231 1.590 1.00 0.00 C ATOM 0 H VAL A 75 -3.099 14.200 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.910 13.673 0.416 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.001 11.547 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.140 10.426 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.627 11.954 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.898 11.876 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.452 10.150 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.316 11.588 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.628 11.477 1.387 1.00 0.00 H new ATOM 434 N CYS A 76 -5.422 14.037 2.878 1.00 0.00 N ATOM 435 CA CYS A 76 -5.158 14.516 4.229 1.00 0.00 C ATOM 436 C CYS A 76 -4.911 13.351 5.183 1.00 0.00 C ATOM 437 O CYS A 76 -5.009 12.187 4.796 1.00 0.00 O ATOM 438 CB CYS A 76 -6.324 15.376 4.727 1.00 0.00 C ATOM 439 SG CYS A 76 -7.819 14.444 5.146 1.00 0.00 S ATOM 0 H CYS A 76 -6.395 13.786 2.701 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.257 15.129 4.202 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.999 15.932 5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.572 16.110 3.960 1.00 0.00 H new ATOM 444 N GLU A 77 -4.586 13.672 6.432 1.00 0.00 N ATOM 445 CA GLU A 77 -4.322 12.652 7.440 1.00 0.00 C ATOM 446 C GLU A 77 -5.597 11.896 7.803 1.00 0.00 C ATOM 447 O GLU A 77 -5.561 10.696 8.077 1.00 0.00 O ATOM 448 CB GLU A 77 -3.720 13.287 8.694 1.00 0.00 C ATOM 449 CG GLU A 77 -3.113 12.280 9.657 1.00 0.00 C ATOM 450 CD GLU A 77 -1.940 12.849 10.432 1.00 0.00 C ATOM 451 OE1 GLU A 77 -1.360 13.857 9.976 1.00 0.00 O ATOM 452 OE2 GLU A 77 -1.600 12.285 11.494 1.00 0.00 O ATOM 0 H GLU A 77 -4.499 14.631 6.770 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.609 11.943 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.952 14.001 8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.495 13.851 9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.878 11.945 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.785 11.402 9.100 1.00 0.00 H new ATOM 459 N VAL A 78 -6.721 12.604 7.802 1.00 0.00 N ATOM 460 CA VAL A 78 -8.005 11.999 8.133 1.00 0.00 C ATOM 461 C VAL A 78 -8.329 10.842 7.194 1.00 0.00 C ATOM 462 O VAL A 78 -9.018 9.895 7.575 1.00 0.00 O ATOM 463 CB VAL A 78 -9.149 13.030 8.068 1.00 0.00 C ATOM 464 CG1 VAL A 78 -10.439 12.432 8.605 1.00 0.00 C ATOM 465 CG2 VAL A 78 -8.777 14.293 8.836 1.00 0.00 C ATOM 0 H VAL A 78 -6.769 13.597 7.576 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.920 11.624 9.153 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.309 13.301 7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.235 13.175 8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.713 11.562 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.296 12.129 9.642 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.597 15.009 8.778 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.587 14.042 9.880 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.880 14.733 8.400 1.00 0.00 H new ATOM 475 N HIS A 79 -7.828 10.923 5.965 1.00 0.00 N ATOM 476 CA HIS A 79 -8.066 9.880 4.973 1.00 0.00 C ATOM 477 C HIS A 79 -6.810 9.044 4.748 1.00 0.00 C ATOM 478 O HIS A 79 -6.892 7.858 4.428 1.00 0.00 O ATOM 479 CB HIS A 79 -8.524 10.500 3.652 1.00 0.00 C ATOM 480 CG HIS A 79 -9.950 10.957 3.668 1.00 0.00 C ATOM 481 ND1 HIS A 79 -10.319 12.279 3.545 1.00 0.00 N ATOM 482 CD2 HIS A 79 -11.104 10.259 3.801 1.00 0.00 C ATOM 483 CE1 HIS A 79 -11.634 12.377 3.601 1.00 0.00 C ATOM 484 NE2 HIS A 79 -12.136 11.166 3.754 1.00 0.00 N ATOM 0 H HIS A 79 -7.255 11.699 5.633 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.851 9.226 5.352 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.882 11.349 3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.394 9.770 2.853 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.196 9.190 3.921 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.203 13.293 3.533 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -13.128 10.940 3.826 1.00 0.00 H new ATOM 491 N ALA A 80 -5.650 9.669 4.917 1.00 0.00 N ATOM 492 CA ALA A 80 -4.378 8.980 4.732 1.00 0.00 C ATOM 493 C ALA A 80 -4.159 7.931 5.816 1.00 0.00 C ATOM 494 O ALA A 80 -3.648 6.843 5.546 1.00 0.00 O ATOM 495 CB ALA A 80 -3.232 9.982 4.724 1.00 0.00 C ATOM 0 H ALA A 80 -5.564 10.650 5.181 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.406 8.469 3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.288 9.454 4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.375 10.691 3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.211 10.519 5.672 1.00 0.00 H new ATOM 501 N LYS A 81 -4.546 8.263 7.043 1.00 0.00 N ATOM 502 CA LYS A 81 -4.392 7.349 8.168 1.00 0.00 C ATOM 503 C LYS A 81 -5.484 6.284 8.161 1.00 0.00 C ATOM 504 O LYS A 81 -5.269 5.159 8.609 1.00 0.00 O ATOM 505 CB LYS A 81 -4.426 8.123 9.488 1.00 0.00 C ATOM 506 CG LYS A 81 -3.078 8.703 9.889 1.00 0.00 C ATOM 507 CD LYS A 81 -2.399 7.856 10.953 1.00 0.00 C ATOM 508 CE LYS A 81 -1.766 6.611 10.353 1.00 0.00 C ATOM 509 NZ LYS A 81 -1.392 5.619 11.399 1.00 0.00 N ATOM 0 H LYS A 81 -4.969 9.159 7.283 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.427 6.852 8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.151 8.933 9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.777 7.460 10.279 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.435 8.771 9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.215 9.718 10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.635 8.447 11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.128 7.566 11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.462 6.153 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.879 6.892 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.964 4.785 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.708 6.048 12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.242 5.331 11.924 1.00 0.00 H new ATOM 523 N ALA A 82 -6.657 6.650 7.652 1.00 0.00 N ATOM 524 CA ALA A 82 -7.783 5.724 7.588 1.00 0.00 C ATOM 525 C ALA A 82 -7.429 4.482 6.778 1.00 0.00 C ATOM 526 O ALA A 82 -6.396 4.438 6.108 1.00 0.00 O ATOM 527 CB ALA A 82 -9.000 6.415 6.993 1.00 0.00 C ATOM 0 H ALA A 82 -6.852 7.579 7.279 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.018 5.407 8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.833 5.713 6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.275 7.267 7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.766 6.761 5.986 1.00 0.00 H new ATOM 533 N SER A 83 -8.291 3.474 6.843 1.00 0.00 N ATOM 534 CA SER A 83 -8.071 2.229 6.114 1.00 0.00 C ATOM 535 C SER A 83 -8.838 2.227 4.796 1.00 0.00 C ATOM 536 O SER A 83 -8.248 2.126 3.722 1.00 0.00 O ATOM 537 CB SER A 83 -8.493 1.031 6.966 1.00 0.00 C ATOM 538 OG SER A 83 -9.533 1.384 7.861 1.00 0.00 O ATOM 0 H SER A 83 -9.150 3.494 7.393 1.00 0.00 H new ATOM 0 HA SER A 83 -7.006 2.151 5.894 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.826 0.219 6.319 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.636 0.660 7.528 1.00 0.00 H new ATOM 0 HG SER A 83 -9.786 0.601 8.393 1.00 0.00 H new ATOM 544 N SER A 84 -10.160 2.335 4.888 1.00 0.00 N ATOM 545 CA SER A 84 -11.011 2.346 3.704 1.00 0.00 C ATOM 546 C SER A 84 -11.705 3.693 3.545 1.00 0.00 C ATOM 547 O SER A 84 -12.155 4.292 4.522 1.00 0.00 O ATOM 548 CB SER A 84 -12.054 1.229 3.791 1.00 0.00 C ATOM 549 OG SER A 84 -12.357 0.918 5.140 1.00 0.00 O ATOM 0 H SER A 84 -10.665 2.416 5.771 1.00 0.00 H new ATOM 0 HA SER A 84 -10.380 2.178 2.831 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.963 1.534 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.681 0.339 3.284 1.00 0.00 H new ATOM 0 HG SER A 84 -13.027 0.203 5.168 1.00 0.00 H new ATOM 555 N VAL A 85 -11.789 4.167 2.305 1.00 0.00 N ATOM 556 CA VAL A 85 -12.428 5.445 2.017 1.00 0.00 C ATOM 557 C VAL A 85 -13.357 5.334 0.813 1.00 0.00 C ATOM 558 O VAL A 85 -13.203 4.440 -0.020 1.00 0.00 O ATOM 559 CB VAL A 85 -11.387 6.550 1.745 1.00 0.00 C ATOM 560 CG1 VAL A 85 -12.041 7.923 1.785 1.00 0.00 C ATOM 561 CG2 VAL A 85 -10.243 6.469 2.745 1.00 0.00 C ATOM 0 H VAL A 85 -11.422 3.685 1.485 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.008 5.713 2.900 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.977 6.396 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.291 8.689 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.820 7.977 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.482 8.088 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.520 7.257 2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.633 6.594 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.755 5.498 2.662 1.00 0.00 H new ATOM 571 N PHE A 86 -14.318 6.246 0.726 1.00 0.00 N ATOM 572 CA PHE A 86 -15.271 6.251 -0.378 1.00 0.00 C ATOM 573 C PHE A 86 -14.697 6.983 -1.587 1.00 0.00 C ATOM 574 O PHE A 86 -14.738 8.211 -1.658 1.00 0.00 O ATOM 575 CB PHE A 86 -16.582 6.907 0.056 1.00 0.00 C ATOM 576 CG PHE A 86 -17.794 6.328 -0.618 1.00 0.00 C ATOM 577 CD1 PHE A 86 -17.960 4.957 -0.718 1.00 0.00 C ATOM 578 CD2 PHE A 86 -18.767 7.158 -1.153 1.00 0.00 C ATOM 579 CE1 PHE A 86 -19.074 4.423 -1.339 1.00 0.00 C ATOM 580 CE2 PHE A 86 -19.883 6.631 -1.774 1.00 0.00 C ATOM 581 CZ PHE A 86 -20.037 5.261 -1.867 1.00 0.00 C ATOM 0 H PHE A 86 -14.458 6.992 1.407 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.468 5.217 -0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -16.692 6.802 1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -16.533 7.975 -0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -17.211 4.297 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -18.651 8.230 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -19.191 3.352 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -20.634 7.289 -2.186 1.00 0.00 H new ATOM 0 HZ PHE A 86 -20.909 4.846 -2.352 1.00 0.00 H new ATOM 591 N LEU A 87 -14.164 6.221 -2.535 1.00 0.00 N ATOM 592 CA LEU A 87 -13.580 6.797 -3.742 1.00 0.00 C ATOM 593 C LEU A 87 -14.368 6.380 -4.981 1.00 0.00 C ATOM 594 O LEU A 87 -14.436 5.197 -5.315 1.00 0.00 O ATOM 595 CB LEU A 87 -12.116 6.371 -3.880 1.00 0.00 C ATOM 596 CG LEU A 87 -11.100 7.511 -3.802 1.00 0.00 C ATOM 597 CD1 LEU A 87 -11.118 8.149 -2.421 1.00 0.00 C ATOM 598 CD2 LEU A 87 -9.705 7.005 -4.139 1.00 0.00 C ATOM 0 H LEU A 87 -14.124 5.203 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.626 7.883 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.889 5.648 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.991 5.858 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.377 8.270 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -10.389 8.958 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.112 8.547 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.866 7.400 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.994 7.829 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.419 6.227 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.701 6.596 -5.149 1.00 0.00 H new ATOM 610 N SER A 88 -14.961 7.359 -5.656 1.00 0.00 N ATOM 611 CA SER A 88 -15.743 7.093 -6.858 1.00 0.00 C ATOM 612 C SER A 88 -16.905 6.152 -6.556 1.00 0.00 C ATOM 613 O SER A 88 -17.284 5.330 -7.389 1.00 0.00 O ATOM 614 CB SER A 88 -14.853 6.491 -7.947 1.00 0.00 C ATOM 615 OG SER A 88 -15.203 6.993 -9.226 1.00 0.00 O ATOM 0 H SER A 88 -14.915 8.343 -5.391 1.00 0.00 H new ATOM 0 HA SER A 88 -16.150 8.040 -7.213 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.809 6.721 -7.736 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.948 5.405 -7.940 1.00 0.00 H new ATOM 0 HG SER A 88 -14.619 6.595 -9.905 1.00 0.00 H new ATOM 621 N GLY A 89 -17.466 6.280 -5.357 1.00 0.00 N ATOM 622 CA GLY A 89 -18.579 5.434 -4.968 1.00 0.00 C ATOM 623 C GLY A 89 -18.149 4.013 -4.659 1.00 0.00 C ATOM 624 O GLY A 89 -18.931 3.074 -4.809 1.00 0.00 O ATOM 0 H GLY A 89 -17.170 6.953 -4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.067 5.861 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.318 5.420 -5.769 1.00 0.00 H new ATOM 628 N LEU A 90 -16.901 3.855 -4.226 1.00 0.00 N ATOM 629 CA LEU A 90 -16.368 2.539 -3.895 1.00 0.00 C ATOM 630 C LEU A 90 -15.474 2.610 -2.662 1.00 0.00 C ATOM 631 O LEU A 90 -15.058 3.692 -2.246 1.00 0.00 O ATOM 632 CB LEU A 90 -15.585 1.970 -5.082 1.00 0.00 C ATOM 633 CG LEU A 90 -16.225 0.749 -5.753 1.00 0.00 C ATOM 634 CD1 LEU A 90 -16.692 1.093 -7.159 1.00 0.00 C ATOM 635 CD2 LEU A 90 -15.248 -0.418 -5.785 1.00 0.00 C ATOM 0 H LEU A 90 -16.241 4.622 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 90 -17.206 1.878 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -15.465 2.755 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -14.586 1.697 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 90 -17.094 0.453 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -17.143 0.213 -7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -17.428 1.895 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -15.840 1.417 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -15.721 -1.275 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -14.358 -0.133 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -14.964 -0.683 -4.766 1.00 0.00 H new ATOM 647 N ASN A 91 -15.178 1.452 -2.082 1.00 0.00 N ATOM 648 CA ASN A 91 -14.331 1.383 -0.897 1.00 0.00 C ATOM 649 C ASN A 91 -12.881 1.111 -1.281 1.00 0.00 C ATOM 650 O ASN A 91 -12.517 -0.017 -1.615 1.00 0.00 O ATOM 651 CB ASN A 91 -14.834 0.292 0.051 1.00 0.00 C ATOM 652 CG ASN A 91 -15.811 0.827 1.080 1.00 0.00 C ATOM 653 OD1 ASN A 91 -16.937 0.343 1.193 1.00 0.00 O ATOM 654 ND2 ASN A 91 -15.385 1.832 1.836 1.00 0.00 N ATOM 0 H ASN A 91 -15.513 0.547 -2.414 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.379 2.346 -0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -15.316 -0.496 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.985 -0.162 0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -15.999 2.233 2.544 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -14.443 2.203 1.708 1.00 0.00 H new ATOM 661 N GLN A 92 -12.055 2.151 -1.233 1.00 0.00 N ATOM 662 CA GLN A 92 -10.642 2.024 -1.578 1.00 0.00 C ATOM 663 C GLN A 92 -9.757 2.365 -0.383 1.00 0.00 C ATOM 664 O GLN A 92 -10.104 3.215 0.436 1.00 0.00 O ATOM 665 CB GLN A 92 -10.301 2.934 -2.758 1.00 0.00 C ATOM 666 CG GLN A 92 -11.223 2.752 -3.954 1.00 0.00 C ATOM 667 CD GLN A 92 -10.499 2.909 -5.276 1.00 0.00 C ATOM 668 OE1 GLN A 92 -9.437 2.324 -5.490 1.00 0.00 O ATOM 669 NE2 GLN A 92 -11.073 3.703 -6.174 1.00 0.00 N ATOM 0 H GLN A 92 -12.339 3.092 -0.959 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.454 0.988 -1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.346 3.972 -2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.274 2.742 -3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.680 1.763 -3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.032 3.480 -3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.954 4.168 -5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.633 3.847 -7.083 1.00 0.00 H new ATOM 678 N ARG A 93 -8.613 1.693 -0.290 1.00 0.00 N ATOM 679 CA ARG A 93 -7.678 1.923 0.806 1.00 0.00 C ATOM 680 C ARG A 93 -6.406 2.597 0.303 1.00 0.00 C ATOM 681 O ARG A 93 -5.825 2.181 -0.700 1.00 0.00 O ATOM 682 CB ARG A 93 -7.331 0.599 1.490 1.00 0.00 C ATOM 683 CG ARG A 93 -8.554 -0.238 1.846 1.00 0.00 C ATOM 684 CD ARG A 93 -8.245 -1.311 2.887 1.00 0.00 C ATOM 685 NE ARG A 93 -7.020 -2.052 2.581 1.00 0.00 N ATOM 686 CZ ARG A 93 -6.781 -3.293 3.000 1.00 0.00 C ATOM 687 NH1 ARG A 93 -7.667 -3.933 3.753 1.00 0.00 N ATOM 688 NH2 ARG A 93 -5.647 -3.895 2.669 1.00 0.00 N ATOM 0 H ARG A 93 -8.312 0.985 -0.960 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.156 2.585 1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.682 0.019 0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.764 0.805 2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.340 0.416 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.941 -0.712 0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.148 -0.845 3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.082 -2.007 2.946 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.308 -1.591 2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.539 -3.474 4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.475 -4.884 4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.960 -3.407 2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.462 -4.846 2.989 1.00 0.00 H new ATOM 702 N PHE A 94 -5.976 3.640 1.007 1.00 0.00 N ATOM 703 CA PHE A 94 -4.771 4.373 0.633 1.00 0.00 C ATOM 704 C PHE A 94 -3.541 3.477 0.726 1.00 0.00 C ATOM 705 O PHE A 94 -3.223 2.951 1.793 1.00 0.00 O ATOM 706 CB PHE A 94 -4.595 5.597 1.531 1.00 0.00 C ATOM 707 CG PHE A 94 -3.487 6.511 1.092 1.00 0.00 C ATOM 708 CD1 PHE A 94 -3.640 7.322 -0.022 1.00 0.00 C ATOM 709 CD2 PHE A 94 -2.293 6.562 1.795 1.00 0.00 C ATOM 710 CE1 PHE A 94 -2.623 8.164 -0.427 1.00 0.00 C ATOM 711 CE2 PHE A 94 -1.273 7.402 1.393 1.00 0.00 C ATOM 712 CZ PHE A 94 -1.437 8.205 0.281 1.00 0.00 C ATOM 0 H PHE A 94 -6.444 3.997 1.840 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.881 4.703 -0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.529 6.158 1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.398 5.264 2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.565 7.295 -0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.159 5.938 2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.755 8.790 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.347 7.431 1.948 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.641 8.863 -0.034 1.00 0.00 H new ATOM 722 N CYS A 95 -2.852 3.307 -0.398 1.00 0.00 N ATOM 723 CA CYS A 95 -1.656 2.473 -0.441 1.00 0.00 C ATOM 724 C CYS A 95 -0.394 3.331 -0.476 1.00 0.00 C ATOM 725 O CYS A 95 -0.079 3.948 -1.493 1.00 0.00 O ATOM 726 CB CYS A 95 -1.694 1.552 -1.662 1.00 0.00 C ATOM 727 SG CYS A 95 -0.239 0.493 -1.834 1.00 0.00 S ATOM 0 H CYS A 95 -3.101 3.735 -1.290 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.635 1.865 0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.582 0.923 -1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.795 2.161 -2.560 1.00 0.00 H new ATOM 732 N GLN A 96 0.326 3.360 0.642 1.00 0.00 N ATOM 733 CA GLN A 96 1.556 4.137 0.738 1.00 0.00 C ATOM 734 C GLN A 96 2.657 3.521 -0.119 1.00 0.00 C ATOM 735 O GLN A 96 3.539 4.223 -0.614 1.00 0.00 O ATOM 736 CB GLN A 96 2.017 4.223 2.195 1.00 0.00 C ATOM 737 CG GLN A 96 2.020 2.883 2.912 1.00 0.00 C ATOM 738 CD GLN A 96 3.226 2.706 3.814 1.00 0.00 C ATOM 739 OE1 GLN A 96 4.077 3.591 3.911 1.00 0.00 O ATOM 740 NE2 GLN A 96 3.307 1.558 4.478 1.00 0.00 N ATOM 0 H GLN A 96 0.079 2.855 1.493 1.00 0.00 H new ATOM 0 HA GLN A 96 1.351 5.142 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.022 4.644 2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.366 4.912 2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.110 2.791 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.002 2.081 2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.579 0.852 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.097 1.382 5.098 1.00 0.00 H new ATOM 749 N GLN A 97 2.600 2.203 -0.291 1.00 0.00 N ATOM 750 CA GLN A 97 3.593 1.490 -1.087 1.00 0.00 C ATOM 751 C GLN A 97 3.667 2.051 -2.506 1.00 0.00 C ATOM 752 O GLN A 97 4.730 2.051 -3.129 1.00 0.00 O ATOM 753 CB GLN A 97 3.260 -0.004 -1.130 1.00 0.00 C ATOM 754 CG GLN A 97 4.430 -0.896 -0.750 1.00 0.00 C ATOM 755 CD GLN A 97 4.532 -2.129 -1.629 1.00 0.00 C ATOM 756 OE1 GLN A 97 4.619 -3.252 -1.134 1.00 0.00 O ATOM 757 NE2 GLN A 97 4.523 -1.922 -2.940 1.00 0.00 N ATOM 0 H GLN A 97 1.876 1.607 0.111 1.00 0.00 H new ATOM 0 HA GLN A 97 4.566 1.627 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.428 -0.202 -0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.925 -0.265 -2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.356 -0.325 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.325 -1.203 0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.449 -0.973 -3.306 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.590 -2.712 -3.582 1.00 0.00 H new ATOM 766 N CYS A 98 2.534 2.531 -3.011 1.00 0.00 N ATOM 767 CA CYS A 98 2.475 3.096 -4.356 1.00 0.00 C ATOM 768 C CYS A 98 1.997 4.549 -4.330 1.00 0.00 C ATOM 769 O CYS A 98 1.822 5.170 -5.377 1.00 0.00 O ATOM 770 CB CYS A 98 1.550 2.261 -5.242 1.00 0.00 C ATOM 771 SG CYS A 98 1.880 0.485 -5.192 1.00 0.00 S ATOM 0 H CYS A 98 1.645 2.540 -2.510 1.00 0.00 H new ATOM 0 HA CYS A 98 3.484 3.077 -4.769 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.518 2.436 -4.937 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.642 2.607 -6.271 1.00 0.00 H new ATOM 776 N SER A 99 1.785 5.087 -3.131 1.00 0.00 N ATOM 777 CA SER A 99 1.331 6.468 -2.980 1.00 0.00 C ATOM 778 C SER A 99 -0.037 6.697 -3.627 1.00 0.00 C ATOM 779 O SER A 99 -0.507 7.834 -3.702 1.00 0.00 O ATOM 780 CB SER A 99 2.356 7.429 -3.585 1.00 0.00 C ATOM 781 OG SER A 99 2.212 8.733 -3.049 1.00 0.00 O ATOM 0 H SER A 99 1.920 4.589 -2.251 1.00 0.00 H new ATOM 0 HA SER A 99 1.230 6.662 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.363 7.061 -3.389 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.233 7.462 -4.668 1.00 0.00 H new ATOM 0 HG SER A 99 1.260 8.950 -2.968 1.00 0.00 H new ATOM 787 N ARG A 100 -0.680 5.626 -4.086 1.00 0.00 N ATOM 788 CA ARG A 100 -1.992 5.739 -4.716 1.00 0.00 C ATOM 789 C ARG A 100 -3.024 4.900 -3.969 1.00 0.00 C ATOM 790 O ARG A 100 -2.681 4.131 -3.071 1.00 0.00 O ATOM 791 CB ARG A 100 -1.923 5.304 -6.181 1.00 0.00 C ATOM 792 CG ARG A 100 -1.481 3.861 -6.371 1.00 0.00 C ATOM 793 CD ARG A 100 -0.413 3.740 -7.447 1.00 0.00 C ATOM 794 NE ARG A 100 -0.837 4.341 -8.711 1.00 0.00 N ATOM 795 CZ ARG A 100 -1.619 3.730 -9.598 1.00 0.00 C ATOM 796 NH1 ARG A 100 -2.071 2.504 -9.362 1.00 0.00 N ATOM 797 NH2 ARG A 100 -1.951 4.348 -10.724 1.00 0.00 N ATOM 0 H ARG A 100 -0.316 4.675 -4.034 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.298 6.784 -4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.904 5.437 -6.637 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.233 5.959 -6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.095 3.471 -5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.341 3.249 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.502 4.223 -7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.177 2.688 -7.607 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.514 5.284 -8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.819 2.025 -8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.670 2.041 -10.046 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.607 5.290 -10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.550 3.881 -11.405 1.00 0.00 H new ATOM 811 N PHE A 101 -4.290 5.056 -4.343 1.00 0.00 N ATOM 812 CA PHE A 101 -5.371 4.316 -3.705 1.00 0.00 C ATOM 813 C PHE A 101 -5.560 2.950 -4.359 1.00 0.00 C ATOM 814 O PHE A 101 -5.256 2.767 -5.539 1.00 0.00 O ATOM 815 CB PHE A 101 -6.675 5.114 -3.778 1.00 0.00 C ATOM 816 CG PHE A 101 -6.960 5.909 -2.536 1.00 0.00 C ATOM 817 CD1 PHE A 101 -7.593 5.324 -1.453 1.00 0.00 C ATOM 818 CD2 PHE A 101 -6.595 7.245 -2.454 1.00 0.00 C ATOM 819 CE1 PHE A 101 -7.856 6.053 -0.309 1.00 0.00 C ATOM 820 CE2 PHE A 101 -6.856 7.979 -1.313 1.00 0.00 C ATOM 821 CZ PHE A 101 -7.488 7.382 -0.239 1.00 0.00 C ATOM 0 H PHE A 101 -4.592 5.688 -5.084 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.103 4.162 -2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -6.630 5.791 -4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.502 4.428 -3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.885 4.285 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.102 7.716 -3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.349 5.584 0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.566 9.018 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.694 7.954 0.654 1.00 0.00 H new ATOM 831 N HIS A 102 -6.068 1.997 -3.585 1.00 0.00 N ATOM 832 CA HIS A 102 -6.302 0.647 -4.086 1.00 0.00 C ATOM 833 C HIS A 102 -7.646 0.116 -3.598 1.00 0.00 C ATOM 834 O HIS A 102 -7.979 0.230 -2.418 1.00 0.00 O ATOM 835 CB HIS A 102 -5.176 -0.289 -3.640 1.00 0.00 C ATOM 836 CG HIS A 102 -3.914 -0.123 -4.427 1.00 0.00 C ATOM 837 ND1 HIS A 102 -3.893 0.313 -5.735 1.00 0.00 N ATOM 838 CD2 HIS A 102 -2.621 -0.333 -4.083 1.00 0.00 C ATOM 839 CE1 HIS A 102 -2.644 0.364 -6.162 1.00 0.00 C ATOM 840 NE2 HIS A 102 -1.852 -0.021 -5.179 1.00 0.00 N ATOM 0 H HIS A 102 -6.326 2.134 -2.608 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.319 0.686 -5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -4.963 -0.112 -2.586 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.516 -1.321 -3.727 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.715 0.558 -6.287 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -2.261 -0.681 -3.126 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -2.325 0.669 -7.148 1.00 0.00 H new ATOM 848 N ASP A 103 -8.416 -0.462 -4.515 1.00 0.00 N ATOM 849 CA ASP A 103 -9.727 -1.008 -4.180 1.00 0.00 C ATOM 850 C ASP A 103 -9.620 -2.049 -3.068 1.00 0.00 C ATOM 851 O ASP A 103 -8.529 -2.521 -2.749 1.00 0.00 O ATOM 852 CB ASP A 103 -10.372 -1.635 -5.418 1.00 0.00 C ATOM 853 CG ASP A 103 -11.877 -1.459 -5.440 1.00 0.00 C ATOM 854 OD1 ASP A 103 -12.342 -0.385 -5.875 1.00 0.00 O ATOM 855 OD2 ASP A 103 -12.591 -2.394 -5.019 1.00 0.00 O ATOM 0 H ASP A 103 -8.155 -0.564 -5.496 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.352 -0.188 -3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.944 -1.186 -6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.133 -2.698 -5.449 1.00 0.00 H new ATOM 860 N LEU A 104 -10.761 -2.400 -2.482 1.00 0.00 N ATOM 861 CA LEU A 104 -10.796 -3.384 -1.408 1.00 0.00 C ATOM 862 C LEU A 104 -10.506 -4.784 -1.943 1.00 0.00 C ATOM 863 O LEU A 104 -9.957 -5.629 -1.235 1.00 0.00 O ATOM 864 CB LEU A 104 -12.160 -3.362 -0.713 1.00 0.00 C ATOM 865 CG LEU A 104 -12.221 -2.533 0.571 1.00 0.00 C ATOM 866 CD1 LEU A 104 -13.594 -2.639 1.211 1.00 0.00 C ATOM 867 CD2 LEU A 104 -11.140 -2.981 1.544 1.00 0.00 C ATOM 0 H LEU A 104 -11.672 -2.017 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.023 -3.124 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.901 -2.975 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.448 -4.387 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.044 -1.488 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.617 -2.042 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.349 -2.270 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.803 -3.681 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.197 -2.381 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.287 -4.032 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.160 -2.851 1.084 1.00 0.00 H new ATOM 879 N GLN A 105 -10.876 -5.020 -3.198 1.00 0.00 N ATOM 880 CA GLN A 105 -10.655 -6.317 -3.829 1.00 0.00 C ATOM 881 C GLN A 105 -9.299 -6.369 -4.533 1.00 0.00 C ATOM 882 O GLN A 105 -9.050 -7.258 -5.347 1.00 0.00 O ATOM 883 CB GLN A 105 -11.773 -6.612 -4.832 1.00 0.00 C ATOM 884 CG GLN A 105 -12.961 -7.336 -4.220 1.00 0.00 C ATOM 885 CD GLN A 105 -13.439 -8.497 -5.069 1.00 0.00 C ATOM 886 OE1 GLN A 105 -13.650 -9.602 -4.570 1.00 0.00 O ATOM 887 NE2 GLN A 105 -13.610 -8.253 -6.364 1.00 0.00 N ATOM 0 H GLN A 105 -11.330 -4.331 -3.798 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.661 -7.075 -3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -12.115 -5.674 -5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -11.370 -7.215 -5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -12.687 -7.703 -3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -13.780 -6.630 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -13.423 -7.322 -6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -13.928 -8.997 -6.985 1.00 0.00 H new ATOM 896 N GLU A 106 -8.425 -5.417 -4.218 1.00 0.00 N ATOM 897 CA GLU A 106 -7.099 -5.366 -4.825 1.00 0.00 C ATOM 898 C GLU A 106 -6.071 -6.066 -3.942 1.00 0.00 C ATOM 899 O GLU A 106 -5.127 -6.679 -4.438 1.00 0.00 O ATOM 900 CB GLU A 106 -6.680 -3.916 -5.066 1.00 0.00 C ATOM 901 CG GLU A 106 -7.105 -3.376 -6.423 1.00 0.00 C ATOM 902 CD GLU A 106 -6.086 -3.658 -7.507 1.00 0.00 C ATOM 903 OE1 GLU A 106 -5.001 -3.038 -7.481 1.00 0.00 O ATOM 904 OE2 GLU A 106 -6.370 -4.500 -8.385 1.00 0.00 O ATOM 0 H GLU A 106 -8.611 -4.672 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.144 -5.886 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.108 -3.288 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.596 -3.840 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.060 -3.819 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.263 -2.300 -6.349 1.00 0.00 H new ATOM 911 N PHE A 107 -6.262 -5.968 -2.631 1.00 0.00 N ATOM 912 CA PHE A 107 -5.351 -6.590 -1.676 1.00 0.00 C ATOM 913 C PHE A 107 -5.696 -8.061 -1.477 1.00 0.00 C ATOM 914 O PHE A 107 -6.807 -8.495 -1.785 1.00 0.00 O ATOM 915 CB PHE A 107 -5.401 -5.858 -0.333 1.00 0.00 C ATOM 916 CG PHE A 107 -5.462 -4.361 -0.461 1.00 0.00 C ATOM 917 CD1 PHE A 107 -4.301 -3.612 -0.556 1.00 0.00 C ATOM 918 CD2 PHE A 107 -6.683 -3.706 -0.484 1.00 0.00 C ATOM 919 CE1 PHE A 107 -4.356 -2.236 -0.673 1.00 0.00 C ATOM 920 CE2 PHE A 107 -6.744 -2.331 -0.603 1.00 0.00 C ATOM 921 CZ PHE A 107 -5.579 -1.595 -0.697 1.00 0.00 C ATOM 0 H PHE A 107 -7.040 -5.464 -2.205 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.341 -6.521 -2.080 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.272 -6.202 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.521 -6.128 0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.342 -4.109 -0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.597 -4.277 -0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.444 -1.663 -0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -7.702 -1.832 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.624 -0.520 -0.789 1.00 0.00 H new ATOM 931 N ASP A 108 -4.739 -8.825 -0.962 1.00 0.00 N ATOM 932 CA ASP A 108 -4.943 -10.249 -0.722 1.00 0.00 C ATOM 933 C ASP A 108 -5.942 -10.472 0.410 1.00 0.00 C ATOM 934 O ASP A 108 -6.674 -11.463 0.420 1.00 0.00 O ATOM 935 CB ASP A 108 -3.614 -10.927 -0.385 1.00 0.00 C ATOM 936 CG ASP A 108 -3.671 -12.432 -0.561 1.00 0.00 C ATOM 937 OD1 ASP A 108 -4.769 -13.006 -0.401 1.00 0.00 O ATOM 938 OD2 ASP A 108 -2.619 -13.035 -0.859 1.00 0.00 O ATOM 0 H ASP A 108 -3.814 -8.482 -0.703 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.347 -10.691 -1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.829 -10.519 -1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.342 -10.695 0.644 1.00 0.00 H new ATOM 943 N GLU A 109 -5.969 -9.543 1.360 1.00 0.00 N ATOM 944 CA GLU A 109 -6.878 -9.637 2.495 1.00 0.00 C ATOM 945 C GLU A 109 -6.810 -8.378 3.352 1.00 0.00 C ATOM 946 O GLU A 109 -7.691 -7.521 3.287 1.00 0.00 O ATOM 947 CB GLU A 109 -6.547 -10.871 3.341 1.00 0.00 C ATOM 948 CG GLU A 109 -7.614 -11.950 3.286 1.00 0.00 C ATOM 949 CD GLU A 109 -7.293 -13.135 4.176 1.00 0.00 C ATOM 950 OE1 GLU A 109 -7.577 -13.059 5.391 1.00 0.00 O ATOM 951 OE2 GLU A 109 -6.759 -14.138 3.659 1.00 0.00 O ATOM 0 H GLU A 109 -5.371 -8.716 1.366 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.893 -9.735 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.600 -11.291 3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.406 -10.564 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.572 -11.524 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.726 -12.293 2.257 1.00 0.00 H new ATOM 958 N ALA A 110 -5.758 -8.275 4.153 1.00 0.00 N ATOM 959 CA ALA A 110 -5.568 -7.123 5.025 1.00 0.00 C ATOM 960 C ALA A 110 -4.197 -6.492 4.812 1.00 0.00 C ATOM 961 O ALA A 110 -3.621 -5.906 5.730 1.00 0.00 O ATOM 962 CB ALA A 110 -5.743 -7.527 6.480 1.00 0.00 C ATOM 0 H ALA A 110 -5.021 -8.977 4.217 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.324 -6.380 4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.598 -6.656 7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.747 -7.924 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.009 -8.291 6.736 1.00 0.00 H new ATOM 968 N LYS A 111 -3.675 -6.614 3.594 1.00 0.00 N ATOM 969 CA LYS A 111 -2.370 -6.055 3.262 1.00 0.00 C ATOM 970 C LYS A 111 -2.395 -4.532 3.350 1.00 0.00 C ATOM 971 O LYS A 111 -3.057 -3.866 2.554 1.00 0.00 O ATOM 972 CB LYS A 111 -1.948 -6.489 1.857 1.00 0.00 C ATOM 973 CG LYS A 111 -1.506 -7.941 1.777 1.00 0.00 C ATOM 974 CD LYS A 111 0.009 -8.062 1.714 1.00 0.00 C ATOM 975 CE LYS A 111 0.464 -9.491 1.956 1.00 0.00 C ATOM 976 NZ LYS A 111 0.371 -10.320 0.721 1.00 0.00 N ATOM 0 H LYS A 111 -4.136 -7.095 2.822 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.645 -6.432 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.781 -6.333 1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -1.133 -5.850 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.879 -8.484 2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -1.946 -8.408 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.362 -7.727 0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.459 -7.405 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.493 -9.489 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -0.146 -9.938 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.690 -11.288 0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.615 -10.344 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 0.973 -9.908 -0.020 1.00 0.00 H new ATOM 990 N ARG A 112 -1.671 -3.988 4.322 1.00 0.00 N ATOM 991 CA ARG A 112 -1.611 -2.545 4.512 1.00 0.00 C ATOM 992 C ARG A 112 -0.361 -1.956 3.861 1.00 0.00 C ATOM 993 O ARG A 112 0.152 -0.927 4.299 1.00 0.00 O ATOM 994 CB ARG A 112 -1.634 -2.205 6.006 1.00 0.00 C ATOM 995 CG ARG A 112 -2.728 -1.222 6.390 1.00 0.00 C ATOM 996 CD ARG A 112 -2.564 0.107 5.669 1.00 0.00 C ATOM 997 NE ARG A 112 -2.717 1.242 6.575 1.00 0.00 N ATOM 998 CZ ARG A 112 -1.759 1.669 7.396 1.00 0.00 C ATOM 999 NH1 ARG A 112 -0.582 1.056 7.429 1.00 0.00 N ATOM 1000 NH2 ARG A 112 -1.980 2.711 8.186 1.00 0.00 N ATOM 0 H ARG A 112 -1.118 -4.525 4.990 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.485 -2.105 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.766 -3.124 6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.667 -1.789 6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -3.702 -1.649 6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.708 -1.057 7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.581 0.147 5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -3.301 0.179 4.869 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.609 1.736 6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.408 0.254 6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.148 1.387 8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.883 3.185 8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.247 3.039 8.815 1.00 0.00 H new ATOM 1014 N SER A 113 0.123 -2.615 2.812 1.00 0.00 N ATOM 1015 CA SER A 113 1.311 -2.151 2.107 1.00 0.00 C ATOM 1016 C SER A 113 1.446 -2.826 0.746 1.00 0.00 C ATOM 1017 O SER A 113 2.553 -3.020 0.244 1.00 0.00 O ATOM 1018 CB SER A 113 2.564 -2.417 2.939 1.00 0.00 C ATOM 1019 OG SER A 113 2.359 -2.072 4.298 1.00 0.00 O ATOM 0 H SER A 113 -0.288 -3.468 2.434 1.00 0.00 H new ATOM 0 HA SER A 113 1.204 -1.078 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.836 -3.470 2.865 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.399 -1.843 2.537 1.00 0.00 H new ATOM 0 HG SER A 113 1.780 -1.283 4.351 1.00 0.00 H new ATOM 1025 N CYS A 114 0.312 -3.179 0.150 1.00 0.00 N ATOM 1026 CA CYS A 114 0.310 -3.827 -1.156 1.00 0.00 C ATOM 1027 C CYS A 114 1.067 -5.152 -1.108 1.00 0.00 C ATOM 1028 O CYS A 114 1.474 -5.607 -0.040 1.00 0.00 O ATOM 1029 CB CYS A 114 0.936 -2.900 -2.197 1.00 0.00 C ATOM 1030 SG CYS A 114 0.116 -2.920 -3.806 1.00 0.00 S ATOM 0 H CYS A 114 -0.614 -3.028 0.549 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.723 -4.036 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 114 0.926 -1.881 -1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 114 1.981 -3.179 -2.332 1.00 0.00 H new ATOM 1035 N ARG A 115 1.252 -5.768 -2.273 1.00 0.00 N ATOM 1036 CA ARG A 115 1.960 -7.040 -2.359 1.00 0.00 C ATOM 1037 C ARG A 115 2.907 -7.066 -3.558 1.00 0.00 C ATOM 1038 O ARG A 115 3.226 -8.133 -4.084 1.00 0.00 O ATOM 1039 CB ARG A 115 0.962 -8.196 -2.459 1.00 0.00 C ATOM 1040 CG ARG A 115 0.050 -8.106 -3.673 1.00 0.00 C ATOM 1041 CD ARG A 115 -1.023 -9.184 -3.644 1.00 0.00 C ATOM 1042 NE ARG A 115 -1.269 -9.744 -4.970 1.00 0.00 N ATOM 1043 CZ ARG A 115 -1.781 -9.051 -5.985 1.00 0.00 C ATOM 1044 NH1 ARG A 115 -2.101 -7.772 -5.830 1.00 0.00 N ATOM 1045 NH2 ARG A 115 -1.973 -9.637 -7.159 1.00 0.00 N ATOM 0 H ARG A 115 0.922 -5.407 -3.168 1.00 0.00 H new ATOM 0 HA ARG A 115 2.554 -7.155 -1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.511 -9.137 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.351 -8.218 -1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.421 -7.123 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.642 -8.205 -4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -0.719 -9.980 -2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.949 -8.764 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.035 -10.724 -5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.955 -7.315 -4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.493 -7.246 -6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -1.728 -10.619 -7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.365 -9.106 -7.936 1.00 0.00 H new ATOM 1059 N ARG A 116 3.352 -5.889 -3.984 1.00 0.00 N ATOM 1060 CA ARG A 116 4.262 -5.781 -5.118 1.00 0.00 C ATOM 1061 C ARG A 116 5.714 -5.840 -4.657 1.00 0.00 C ATOM 1062 O ARG A 116 6.569 -6.412 -5.334 1.00 0.00 O ATOM 1063 CB ARG A 116 4.008 -4.479 -5.881 1.00 0.00 C ATOM 1064 CG ARG A 116 4.412 -4.542 -7.345 1.00 0.00 C ATOM 1065 CD ARG A 116 5.914 -4.372 -7.518 1.00 0.00 C ATOM 1066 NE ARG A 116 6.238 -3.451 -8.604 1.00 0.00 N ATOM 1067 CZ ARG A 116 7.430 -3.391 -9.195 1.00 0.00 C ATOM 1068 NH1 ARG A 116 8.410 -4.199 -8.809 1.00 0.00 N ATOM 1069 NH2 ARG A 116 7.641 -2.523 -10.175 1.00 0.00 N ATOM 0 H ARG A 116 3.097 -4.996 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 116 4.077 -6.625 -5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 116 2.949 -4.230 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 116 4.556 -3.671 -5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 116 4.102 -5.498 -7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 116 3.890 -3.763 -7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 116 6.347 -4.003 -6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 116 6.368 -5.342 -7.718 1.00 0.00 H new ATOM 0 HE ARG A 116 5.509 -2.816 -8.929 1.00 0.00 H new ATOM 0 HH11 ARG A 116 8.252 -4.869 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 116 9.321 -4.149 -9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 116 6.890 -1.901 -10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 116 8.554 -2.477 -10.628 1.00 0.00 H new ATOM 1083 N ARG A 117 5.983 -5.245 -3.500 1.00 0.00 N ATOM 1084 CA ARG A 117 7.332 -5.229 -2.944 1.00 0.00 C ATOM 1085 C ARG A 117 7.418 -6.104 -1.699 1.00 0.00 C ATOM 1086 O ARG A 117 8.447 -6.724 -1.432 1.00 0.00 O ATOM 1087 CB ARG A 117 7.748 -3.795 -2.607 1.00 0.00 C ATOM 1088 CG ARG A 117 9.120 -3.417 -3.144 1.00 0.00 C ATOM 1089 CD ARG A 117 10.233 -3.925 -2.243 1.00 0.00 C ATOM 1090 NE ARG A 117 11.541 -3.415 -2.647 1.00 0.00 N ATOM 1091 CZ ARG A 117 11.962 -2.177 -2.402 1.00 0.00 C ATOM 1092 NH1 ARG A 117 11.183 -1.320 -1.754 1.00 0.00 N ATOM 1093 NH2 ARG A 117 13.166 -1.794 -2.805 1.00 0.00 N ATOM 0 H ARG A 117 5.286 -4.768 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 117 8.013 -5.631 -3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.006 -3.106 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.743 -3.669 -1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.245 -3.829 -4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.190 -2.333 -3.234 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.030 -3.628 -1.214 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.247 -5.015 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 117 12.169 -4.045 -3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.256 -1.609 -1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 117 11.511 -0.372 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.769 -2.449 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.489 -0.845 -2.617 1.00 0.00 H new ATOM 1107 N LEU A 118 6.328 -6.153 -0.939 1.00 0.00 N ATOM 1108 CA LEU A 118 6.278 -6.953 0.279 1.00 0.00 C ATOM 1109 C LEU A 118 6.398 -8.440 -0.043 1.00 0.00 C ATOM 1110 O LEU A 118 7.246 -9.139 0.513 1.00 0.00 O ATOM 1111 CB LEU A 118 4.979 -6.686 1.038 1.00 0.00 C ATOM 1112 CG LEU A 118 5.102 -6.710 2.562 1.00 0.00 C ATOM 1113 CD1 LEU A 118 5.723 -5.417 3.068 1.00 0.00 C ATOM 1114 CD2 LEU A 118 3.741 -6.936 3.203 1.00 0.00 C ATOM 0 H LEU A 118 5.467 -5.647 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 118 7.121 -6.666 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.593 -5.713 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 118 4.241 -7.429 0.737 1.00 0.00 H new ATOM 0 HG LEU A 118 5.755 -7.537 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.803 -5.452 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.716 -5.297 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.096 -4.574 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.848 -6.950 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 118 3.065 -6.131 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.334 -7.889 2.866 1.00 0.00 H new ATOM 1126 N ALA A 119 5.540 -8.917 -0.939 1.00 0.00 N ATOM 1127 CA ALA A 119 5.551 -10.320 -1.332 1.00 0.00 C ATOM 1128 C ALA A 119 6.813 -10.665 -2.116 1.00 0.00 C ATOM 1129 O ALA A 119 6.854 -10.526 -3.338 1.00 0.00 O ATOM 1130 CB ALA A 119 4.313 -10.644 -2.156 1.00 0.00 C ATOM 0 H ALA A 119 4.830 -8.353 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 119 5.544 -10.925 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.332 -11.695 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.420 -10.446 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.299 -10.023 -3.052 1.00 0.00 H new ATOM 1136 N GLY A 120 7.841 -11.114 -1.403 1.00 0.00 N ATOM 1137 CA GLY A 120 9.091 -11.471 -2.049 1.00 0.00 C ATOM 1138 C GLY A 120 10.303 -11.060 -1.236 1.00 0.00 C ATOM 1139 O GLY A 120 10.168 -10.519 -0.139 1.00 0.00 O ATOM 0 H GLY A 120 7.831 -11.237 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.116 -12.548 -2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 120 9.138 -10.997 -3.030 1.00 0.00 H new ATOM 1143 N HIS A 121 11.489 -11.318 -1.775 1.00 0.00 N ATOM 1144 CA HIS A 121 12.731 -10.973 -1.093 1.00 0.00 C ATOM 1145 C HIS A 121 13.491 -9.895 -1.858 1.00 0.00 C ATOM 1146 O HIS A 121 14.092 -9.001 -1.263 1.00 0.00 O ATOM 1147 CB HIS A 121 13.610 -12.213 -0.927 1.00 0.00 C ATOM 1148 CG HIS A 121 14.622 -12.088 0.169 1.00 0.00 C ATOM 1149 ND1 HIS A 121 15.028 -10.875 0.683 1.00 0.00 N ATOM 1150 CD2 HIS A 121 15.311 -13.034 0.852 1.00 0.00 C ATOM 1151 CE1 HIS A 121 15.923 -11.080 1.633 1.00 0.00 C ATOM 1152 NE2 HIS A 121 16.112 -12.380 1.755 1.00 0.00 N ATOM 0 H HIS A 121 11.617 -11.765 -2.683 1.00 0.00 H new ATOM 0 HA HIS A 121 12.477 -10.583 -0.107 1.00 0.00 H new ATOM 0 HB2 HIS A 121 12.974 -13.075 -0.726 1.00 0.00 H new ATOM 0 HB3 HIS A 121 14.127 -12.410 -1.866 1.00 0.00 H new ATOM 0 HD1 HIS A 121 14.690 -9.962 0.378 1.00 0.00 H new ATOM 0 HD2 HIS A 121 15.243 -14.103 0.712 1.00 0.00 H new ATOM 0 HE1 HIS A 121 16.416 -10.313 2.212 1.00 0.00 H new ATOM 1160 N ASN A 122 13.462 -9.987 -3.185 1.00 0.00 N ATOM 1161 CA ASN A 122 14.148 -9.020 -4.034 1.00 0.00 C ATOM 1162 C ASN A 122 15.649 -9.024 -3.758 1.00 0.00 C ATOM 1163 O ASN A 122 16.125 -8.354 -2.842 1.00 0.00 O ATOM 1164 CB ASN A 122 13.578 -7.617 -3.808 1.00 0.00 C ATOM 1165 CG ASN A 122 12.834 -7.093 -5.022 1.00 0.00 C ATOM 1166 OD1 ASN A 122 13.085 -7.521 -6.149 1.00 0.00 O ATOM 1167 ND2 ASN A 122 11.915 -6.162 -4.796 1.00 0.00 N ATOM 0 H ASN A 122 12.971 -10.721 -3.694 1.00 0.00 H new ATOM 0 HA ASN A 122 13.987 -9.306 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 122 12.904 -7.635 -2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 122 14.390 -6.933 -3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 122 11.383 -5.771 -5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 122 11.741 -5.838 -3.845 1.00 0.00 H new ATOM 1174 N GLU A 123 16.388 -9.786 -4.557 1.00 0.00 N ATOM 1175 CA GLU A 123 17.836 -9.880 -4.398 1.00 0.00 C ATOM 1176 C GLU A 123 18.541 -9.735 -5.744 1.00 0.00 C ATOM 1177 O GLU A 123 18.495 -10.636 -6.581 1.00 0.00 O ATOM 1178 CB GLU A 123 18.213 -11.215 -3.753 1.00 0.00 C ATOM 1179 CG GLU A 123 18.231 -11.175 -2.234 1.00 0.00 C ATOM 1180 CD GLU A 123 19.573 -10.736 -1.679 1.00 0.00 C ATOM 1181 OE1 GLU A 123 19.813 -9.514 -1.603 1.00 0.00 O ATOM 1182 OE2 GLU A 123 20.383 -11.618 -1.322 1.00 0.00 O ATOM 0 H GLU A 123 16.010 -10.347 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 123 18.160 -9.066 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 123 17.507 -11.979 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.197 -11.517 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.456 -10.494 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.987 -12.163 -1.845 1.00 0.00 H new ATOM 1189 N ARG A 124 19.195 -8.594 -5.942 1.00 0.00 N ATOM 1190 CA ARG A 124 19.911 -8.330 -7.184 1.00 0.00 C ATOM 1191 C ARG A 124 21.407 -8.178 -6.927 1.00 0.00 C ATOM 1192 O ARG A 124 21.930 -7.064 -6.887 1.00 0.00 O ATOM 1193 CB ARG A 124 19.365 -7.067 -7.853 1.00 0.00 C ATOM 1194 CG ARG A 124 17.852 -7.067 -8.010 1.00 0.00 C ATOM 1195 CD ARG A 124 17.237 -5.765 -7.522 1.00 0.00 C ATOM 1196 NE ARG A 124 17.499 -4.656 -8.438 1.00 0.00 N ATOM 1197 CZ ARG A 124 18.441 -3.731 -8.247 1.00 0.00 C ATOM 1198 NH1 ARG A 124 19.220 -3.770 -7.172 1.00 0.00 N ATOM 1199 NH2 ARG A 124 18.604 -2.763 -9.137 1.00 0.00 N ATOM 0 H ARG A 124 19.243 -7.839 -5.258 1.00 0.00 H new ATOM 0 HA ARG A 124 19.760 -9.180 -7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 124 19.661 -6.198 -7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 124 19.824 -6.959 -8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 124 17.595 -7.221 -9.058 1.00 0.00 H new ATOM 0 HG3 ARG A 124 17.428 -7.902 -7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 124 16.161 -5.893 -7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 124 17.636 -5.523 -6.537 1.00 0.00 H new ATOM 0 HE ARG A 124 16.924 -4.585 -9.278 1.00 0.00 H new ATOM 0 HH11 ARG A 124 19.101 -4.512 -6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 124 19.937 -3.058 -7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 124 18.010 -2.727 -9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 124 19.323 -2.054 -8.994 1.00 0.00 H new ATOM 1213 N ARG A 125 22.091 -9.305 -6.753 1.00 0.00 N ATOM 1214 CA ARG A 125 23.527 -9.297 -6.497 1.00 0.00 C ATOM 1215 C ARG A 125 23.850 -8.515 -5.229 1.00 0.00 C ATOM 1216 O ARG A 125 23.946 -7.288 -5.251 1.00 0.00 O ATOM 1217 CB ARG A 125 24.275 -8.692 -7.688 1.00 0.00 C ATOM 1218 CG ARG A 125 24.801 -9.731 -8.667 1.00 0.00 C ATOM 1219 CD ARG A 125 23.684 -10.610 -9.202 1.00 0.00 C ATOM 1220 NE ARG A 125 23.924 -11.020 -10.583 1.00 0.00 N ATOM 1221 CZ ARG A 125 23.163 -11.891 -11.241 1.00 0.00 C ATOM 1222 NH1 ARG A 125 22.114 -12.447 -10.648 1.00 0.00 N ATOM 1223 NH2 ARG A 125 23.453 -12.207 -12.496 1.00 0.00 N ATOM 0 H ARG A 125 21.674 -10.235 -6.785 1.00 0.00 H new ATOM 0 HA ARG A 125 23.851 -10.328 -6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 125 23.609 -8.011 -8.217 1.00 0.00 H new ATOM 0 HB3 ARG A 125 25.110 -8.098 -7.318 1.00 0.00 H new ATOM 0 HG2 ARG A 125 25.300 -9.230 -9.497 1.00 0.00 H new ATOM 0 HG3 ARG A 125 25.549 -10.352 -8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 125 23.586 -11.495 -8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 125 22.739 -10.071 -9.143 1.00 0.00 H new ATOM 0 HE ARG A 125 24.722 -10.615 -11.072 1.00 0.00 H new ATOM 0 HH11 ARG A 125 21.887 -12.207 -9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.534 -13.114 -11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.259 -11.783 -12.956 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.870 -12.875 -13.001 1.00 0.00 H new ATOM 1237 N ARG A 126 24.016 -9.234 -4.122 1.00 0.00 N ATOM 1238 CA ARG A 126 24.328 -8.605 -2.844 1.00 0.00 C ATOM 1239 C ARG A 126 25.835 -8.444 -2.672 1.00 0.00 C ATOM 1240 O ARG A 126 26.315 -7.383 -2.275 1.00 0.00 O ATOM 1241 CB ARG A 126 23.756 -9.434 -1.692 1.00 0.00 C ATOM 1242 CG ARG A 126 23.814 -8.727 -0.347 1.00 0.00 C ATOM 1243 CD ARG A 126 25.168 -8.909 0.322 1.00 0.00 C ATOM 1244 NE ARG A 126 25.856 -7.636 0.520 1.00 0.00 N ATOM 1245 CZ ARG A 126 27.162 -7.528 0.757 1.00 0.00 C ATOM 1246 NH1 ARG A 126 27.922 -8.614 0.828 1.00 0.00 N ATOM 1247 NH2 ARG A 126 27.707 -6.332 0.927 1.00 0.00 N ATOM 0 H ARG A 126 23.940 -10.250 -4.085 1.00 0.00 H new ATOM 0 HA ARG A 126 23.871 -7.615 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 126 22.720 -9.686 -1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 126 24.305 -10.373 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 126 23.615 -7.664 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 126 23.031 -9.116 0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 126 25.033 -9.402 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 126 25.789 -9.565 -0.288 1.00 0.00 H new ATOM 0 HE ARG A 126 25.304 -6.780 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 126 27.506 -9.537 0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 126 28.922 -8.526 1.010 1.00 0.00 H new ATOM 0 HH21 ARG A 126 27.126 -5.495 0.876 1.00 0.00 H new ATOM 0 HH22 ARG A 126 28.707 -6.248 1.109 1.00 0.00 H new ATOM 1261 N LYS A 127 26.577 -9.506 -2.973 1.00 0.00 N ATOM 1262 CA LYS A 127 28.030 -9.482 -2.853 1.00 0.00 C ATOM 1263 C LYS A 127 28.639 -8.493 -3.841 1.00 0.00 C ATOM 1264 O LYS A 127 29.569 -7.758 -3.504 1.00 0.00 O ATOM 1265 CB LYS A 127 28.604 -10.880 -3.088 1.00 0.00 C ATOM 1266 CG LYS A 127 28.979 -11.609 -1.807 1.00 0.00 C ATOM 1267 CD LYS A 127 27.745 -11.994 -1.005 1.00 0.00 C ATOM 1268 CE LYS A 127 27.403 -13.465 -1.184 1.00 0.00 C ATOM 1269 NZ LYS A 127 26.277 -13.660 -2.140 1.00 0.00 N ATOM 0 H LYS A 127 26.196 -10.393 -3.302 1.00 0.00 H new ATOM 0 HA LYS A 127 28.283 -9.160 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 127 27.873 -11.476 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 127 29.487 -10.799 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 127 29.550 -12.505 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 127 29.625 -10.974 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 127 27.916 -11.785 0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 127 26.900 -11.382 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 127 28.281 -14.001 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 127 27.139 -13.897 -0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 26.074 -14.676 -2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 25.431 -13.170 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 26.539 -13.271 -3.068 1.00 0.00 H new ATOM 1283 N SER A 128 28.111 -8.478 -5.059 1.00 0.00 N ATOM 1284 CA SER A 128 28.604 -7.579 -6.096 1.00 0.00 C ATOM 1285 C SER A 128 27.673 -6.383 -6.265 1.00 0.00 C ATOM 1286 O SER A 128 26.476 -6.469 -5.990 1.00 0.00 O ATOM 1287 CB SER A 128 28.743 -8.324 -7.424 1.00 0.00 C ATOM 1288 OG SER A 128 27.496 -8.848 -7.847 1.00 0.00 O ATOM 0 H SER A 128 27.341 -9.079 -5.353 1.00 0.00 H new ATOM 0 HA SER A 128 29.584 -7.214 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 128 29.134 -7.648 -8.185 1.00 0.00 H new ATOM 0 HB3 SER A 128 29.464 -9.134 -7.316 1.00 0.00 H new ATOM 0 HG SER A 128 27.611 -9.318 -8.699 1.00 0.00 H new ATOM 1294 N SER A 129 28.232 -5.266 -6.719 1.00 0.00 N ATOM 1295 CA SER A 129 27.452 -4.051 -6.927 1.00 0.00 C ATOM 1296 C SER A 129 28.154 -3.116 -7.908 1.00 0.00 C ATOM 1297 O SER A 129 29.066 -2.378 -7.534 1.00 0.00 O ATOM 1298 CB SER A 129 27.223 -3.334 -5.595 1.00 0.00 C ATOM 1299 OG SER A 129 26.308 -4.048 -4.782 1.00 0.00 O ATOM 0 H SER A 129 29.222 -5.177 -6.950 1.00 0.00 H new ATOM 0 HA SER A 129 26.488 -4.334 -7.350 1.00 0.00 H new ATOM 0 HB2 SER A 129 28.172 -3.224 -5.070 1.00 0.00 H new ATOM 0 HB3 SER A 129 26.843 -2.329 -5.780 1.00 0.00 H new ATOM 0 HG SER A 129 26.137 -4.928 -5.177 1.00 0.00 H new ATOM 1305 N GLY A 130 27.721 -3.154 -9.163 1.00 0.00 N ATOM 1306 CA GLY A 130 28.319 -2.306 -10.179 1.00 0.00 C ATOM 1307 C GLY A 130 29.453 -2.993 -10.914 1.00 0.00 C ATOM 1308 O GLY A 130 30.255 -3.703 -10.308 1.00 0.00 O ATOM 0 H GLY A 130 26.968 -3.756 -9.495 1.00 0.00 H new ATOM 0 HA2 GLY A 130 27.554 -2.008 -10.896 1.00 0.00 H new ATOM 0 HA3 GLY A 130 28.692 -1.394 -9.713 1.00 0.00 H new ATOM 1312 N GLU A 131 29.517 -2.784 -12.226 1.00 0.00 N ATOM 1313 CA GLU A 131 30.561 -3.389 -13.045 1.00 0.00 C ATOM 1314 C GLU A 131 31.851 -2.581 -12.967 1.00 0.00 C ATOM 1315 O GLU A 131 31.919 -1.512 -13.609 1.00 0.00 O ATOM 1316 CB GLU A 131 30.098 -3.495 -14.501 1.00 0.00 C ATOM 1317 CG GLU A 131 31.069 -4.251 -15.393 1.00 0.00 C ATOM 1318 CD GLU A 131 31.128 -5.730 -15.069 1.00 0.00 C ATOM 1319 OE1 GLU A 131 30.089 -6.410 -15.203 1.00 0.00 O ATOM 1320 OE2 GLU A 131 32.214 -6.210 -14.679 1.00 0.00 O ATOM 0 H GLU A 131 28.859 -2.201 -12.743 1.00 0.00 H new ATOM 0 HA GLU A 131 30.757 -4.389 -12.659 1.00 0.00 H new ATOM 0 HB2 GLU A 131 29.128 -3.992 -14.530 1.00 0.00 H new ATOM 0 HB3 GLU A 131 29.954 -2.492 -14.902 1.00 0.00 H new ATOM 0 HG2 GLU A 131 30.775 -4.123 -16.435 1.00 0.00 H new ATOM 0 HG3 GLU A 131 32.065 -3.820 -15.287 1.00 0.00 H new TER 1327 GLU A 131 HETATM 1328 ZN ZN A 138 -9.444 14.214 3.301 1.00 0.00 ZN HETATM 1329 ZN ZN A 139 -0.084 -0.495 -4.091 1.00 0.00 ZN