USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 574 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 20 TYR OH : rot 130:sc= 0.964 USER MOD Set 1.2: A 22 GLN : amide:sc= 1.15 X(o=2.1,f=2) USER MOD Set 2.1: A 11 CYS SG : rot -179:sc= 1.02 USER MOD Set 2.2: A 29 SER OG : rot -125:sc= 1.43 USER MOD Set 2.3: A 31 GLN : amide:sc= -0.322 X(o=2.1,f=2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.32 (180deg=0.436) USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0376) USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= -0.0746 (180deg=-0.376) USER MOD Single : A 14 THR OG1 : rot -130:sc= -0.273 USER MOD Single : A 15 LYS NZ :NH3+ 141:sc= -2.79! (180deg=-5.74!) USER MOD Single : A 21 HIS : no HD1:sc= -0.897 K(o=-0.9,f=-0.047) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0541 X(o=-0.054,f=-0.054) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.459 USER MOD Single : A 39 LYS NZ :NH3+ 169:sc=-0.00228 (180deg=-0.122) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -169:sc= -1.32 (180deg=-1.63) USER MOD Single : A 48 ASN : amide:sc= 0.901 K(o=0.9,f=0) USER MOD Single : A 54 SER OG : rot -80:sc= 0.854 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.032) USER MOD Single : A 64 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.1!) USER MOD Single : A 65 HIS : no HD1:sc= -1.05 K(o=-1,f=-0.47) USER MOD Single : A 66 HIS : no HD1:sc= 0.27 K(o=0.27,f=-5!) USER MOD Single : A 67 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.796 14.215 -7.130 1.00 0.00 N ATOM 2 CA MET A 1 5.572 14.981 -8.379 1.00 0.00 C ATOM 3 C MET A 1 4.082 15.216 -8.581 1.00 0.00 C ATOM 4 O MET A 1 3.277 14.304 -8.395 1.00 0.00 O ATOM 5 CB MET A 1 6.136 14.228 -9.594 1.00 0.00 C ATOM 6 CG MET A 1 7.641 13.992 -9.547 1.00 0.00 C ATOM 7 SD MET A 1 8.130 12.767 -8.315 1.00 0.00 S ATOM 8 CE MET A 1 9.904 12.750 -8.557 1.00 0.00 C ATOM 0 H1 MET A 1 6.766 13.840 -7.122 1.00 0.00 H new ATOM 0 H2 MET A 1 5.660 14.840 -6.310 1.00 0.00 H new ATOM 0 H3 MET A 1 5.119 13.427 -7.080 1.00 0.00 H new ATOM 0 HA MET A 1 6.089 15.937 -8.288 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.632 13.265 -9.675 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.897 14.790 -10.497 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.982 13.666 -10.530 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.144 14.935 -9.332 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.359 12.039 -7.867 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.129 12.455 -9.582 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.306 13.746 -8.369 1.00 0.00 H new ATOM 20 N GLU A 2 3.716 16.434 -8.961 1.00 0.00 N ATOM 21 CA GLU A 2 2.314 16.777 -9.150 1.00 0.00 C ATOM 22 C GLU A 2 1.838 16.342 -10.532 1.00 0.00 C ATOM 23 O GLU A 2 2.172 16.960 -11.543 1.00 0.00 O ATOM 24 CB GLU A 2 2.098 18.280 -8.953 1.00 0.00 C ATOM 25 CG GLU A 2 0.661 18.728 -9.158 1.00 0.00 C ATOM 26 CD GLU A 2 0.474 20.209 -8.911 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.101 21.021 -9.625 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.312 20.574 -8.008 1.00 0.00 O ATOM 0 H GLU A 2 4.368 17.197 -9.143 1.00 0.00 H new ATOM 0 HA GLU A 2 1.725 16.245 -8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.413 18.553 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.740 18.823 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.352 18.491 -10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.010 18.166 -8.488 1.00 0.00 H new ATOM 35 N LYS A 3 1.079 15.259 -10.557 1.00 0.00 N ATOM 36 CA LYS A 3 0.525 14.716 -11.783 1.00 0.00 C ATOM 37 C LYS A 3 -0.910 14.273 -11.541 1.00 0.00 C ATOM 38 O LYS A 3 -1.394 14.294 -10.409 1.00 0.00 O ATOM 39 CB LYS A 3 1.324 13.496 -12.243 1.00 0.00 C ATOM 40 CG LYS A 3 2.779 13.762 -12.590 1.00 0.00 C ATOM 41 CD LYS A 3 3.491 12.458 -12.918 1.00 0.00 C ATOM 42 CE LYS A 3 4.964 12.666 -13.213 1.00 0.00 C ATOM 43 NZ LYS A 3 5.180 13.458 -14.450 1.00 0.00 N ATOM 0 H LYS A 3 0.829 14.730 -9.722 1.00 0.00 H new ATOM 0 HA LYS A 3 0.567 15.492 -12.547 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.288 12.742 -11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.832 13.069 -13.117 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.839 14.441 -13.441 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.275 14.255 -11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.384 11.768 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.012 11.992 -13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.433 13.175 -12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.453 11.697 -13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.198 13.504 -14.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.683 13.005 -15.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.811 14.421 -14.315 1.00 0.00 H new ATOM 57 N LYS A 4 -1.577 13.867 -12.604 1.00 0.00 N ATOM 58 CA LYS A 4 -2.850 13.193 -12.487 1.00 0.00 C ATOM 59 C LYS A 4 -2.736 11.811 -13.116 1.00 0.00 C ATOM 60 O LYS A 4 -1.650 11.427 -13.555 1.00 0.00 O ATOM 61 CB LYS A 4 -3.990 14.001 -13.120 1.00 0.00 C ATOM 62 CG LYS A 4 -3.876 14.251 -14.619 1.00 0.00 C ATOM 63 CD LYS A 4 -2.899 15.369 -14.939 1.00 0.00 C ATOM 64 CE LYS A 4 -3.083 15.871 -16.358 1.00 0.00 C ATOM 65 NZ LYS A 4 -4.385 16.572 -16.538 1.00 0.00 N ATOM 0 H LYS A 4 -1.254 13.995 -13.563 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.098 13.093 -11.430 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.928 13.480 -12.928 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.051 14.965 -12.614 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.554 13.336 -15.115 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.858 14.502 -15.020 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.042 16.192 -14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.878 15.012 -14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.268 16.549 -16.611 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.025 15.031 -17.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.339 17.180 -17.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.143 15.870 -16.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.583 17.156 -15.701 1.00 0.00 H new ATOM 79 N PHE A 5 -3.845 11.066 -13.127 1.00 0.00 N ATOM 80 CA PHE A 5 -3.883 9.692 -13.645 1.00 0.00 C ATOM 81 C PHE A 5 -3.227 8.720 -12.658 1.00 0.00 C ATOM 82 O PHE A 5 -3.297 7.505 -12.816 1.00 0.00 O ATOM 83 CB PHE A 5 -3.218 9.616 -15.030 1.00 0.00 C ATOM 84 CG PHE A 5 -3.250 8.257 -15.675 1.00 0.00 C ATOM 85 CD1 PHE A 5 -4.438 7.728 -16.154 1.00 0.00 C ATOM 86 CD2 PHE A 5 -2.089 7.509 -15.800 1.00 0.00 C ATOM 87 CE1 PHE A 5 -4.466 6.479 -16.747 1.00 0.00 C ATOM 88 CE2 PHE A 5 -2.112 6.262 -16.394 1.00 0.00 C ATOM 89 CZ PHE A 5 -3.302 5.746 -16.866 1.00 0.00 C ATOM 0 H PHE A 5 -4.744 11.397 -12.777 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.926 9.396 -13.758 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.710 10.328 -15.693 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.179 9.933 -14.936 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.351 8.297 -16.063 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.156 7.906 -15.429 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.398 6.077 -17.117 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.200 5.692 -16.489 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.323 4.770 -17.328 1.00 0.00 H new ATOM 99 N LEU A 6 -2.616 9.262 -11.618 1.00 0.00 N ATOM 100 CA LEU A 6 -1.970 8.442 -10.605 1.00 0.00 C ATOM 101 C LEU A 6 -2.946 8.076 -9.494 1.00 0.00 C ATOM 102 O LEU A 6 -2.711 7.138 -8.735 1.00 0.00 O ATOM 103 CB LEU A 6 -0.723 9.146 -10.044 1.00 0.00 C ATOM 104 CG LEU A 6 -0.891 10.607 -9.610 1.00 0.00 C ATOM 105 CD1 LEU A 6 -1.625 10.718 -8.280 1.00 0.00 C ATOM 106 CD2 LEU A 6 0.468 11.286 -9.522 1.00 0.00 C ATOM 0 H LEU A 6 -2.553 10.266 -11.452 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.645 7.515 -11.077 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.368 8.575 -9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.060 9.104 -10.801 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.496 11.111 -10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.725 11.768 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.615 10.272 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.061 10.194 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.337 12.323 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.088 10.765 -8.792 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.953 11.257 -10.498 1.00 0.00 H new ATOM 118 N ASP A 7 -4.051 8.809 -9.419 1.00 0.00 N ATOM 119 CA ASP A 7 -5.062 8.579 -8.389 1.00 0.00 C ATOM 120 C ASP A 7 -6.117 7.599 -8.897 1.00 0.00 C ATOM 121 O ASP A 7 -7.211 7.491 -8.346 1.00 0.00 O ATOM 122 CB ASP A 7 -5.716 9.908 -7.985 1.00 0.00 C ATOM 123 CG ASP A 7 -6.480 9.828 -6.675 1.00 0.00 C ATOM 124 OD1 ASP A 7 -5.832 9.815 -5.609 1.00 0.00 O ATOM 125 OD2 ASP A 7 -7.730 9.809 -6.704 1.00 0.00 O ATOM 0 H ASP A 7 -4.272 9.571 -10.061 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.580 8.147 -7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.945 10.674 -7.902 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.396 10.225 -8.775 1.00 0.00 H new ATOM 130 N ILE A 8 -5.785 6.882 -9.966 1.00 0.00 N ATOM 131 CA ILE A 8 -6.682 5.868 -10.507 1.00 0.00 C ATOM 132 C ILE A 8 -6.673 4.632 -9.619 1.00 0.00 C ATOM 133 O ILE A 8 -7.656 3.897 -9.539 1.00 0.00 O ATOM 134 CB ILE A 8 -6.304 5.461 -11.949 1.00 0.00 C ATOM 135 CG1 ILE A 8 -4.884 4.887 -11.995 1.00 0.00 C ATOM 136 CG2 ILE A 8 -6.433 6.654 -12.882 1.00 0.00 C ATOM 137 CD1 ILE A 8 -4.486 4.344 -13.350 1.00 0.00 C ATOM 0 H ILE A 8 -4.906 6.984 -10.472 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.680 6.306 -10.532 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.992 4.684 -12.283 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.178 5.665 -11.705 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.801 4.090 -11.256 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.164 6.354 -13.895 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.462 7.015 -12.871 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.766 7.450 -12.550 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.469 3.956 -13.302 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.167 3.542 -13.635 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.535 5.142 -14.091 1.00 0.00 H new ATOM 149 N LEU A 9 -5.551 4.422 -8.941 1.00 0.00 N ATOM 150 CA LEU A 9 -5.392 3.294 -8.042 1.00 0.00 C ATOM 151 C LEU A 9 -5.595 3.757 -6.612 1.00 0.00 C ATOM 152 O LEU A 9 -4.794 4.525 -6.078 1.00 0.00 O ATOM 153 CB LEU A 9 -4.002 2.670 -8.188 1.00 0.00 C ATOM 154 CG LEU A 9 -3.601 2.275 -9.613 1.00 0.00 C ATOM 155 CD1 LEU A 9 -2.174 1.751 -9.640 1.00 0.00 C ATOM 156 CD2 LEU A 9 -4.560 1.231 -10.164 1.00 0.00 C ATOM 0 H LEU A 9 -4.732 5.027 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.136 2.539 -8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.265 3.375 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.953 1.783 -7.557 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.654 3.162 -10.244 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.907 1.475 -10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.495 2.526 -9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.096 0.876 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.261 0.961 -11.177 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.536 0.344 -9.530 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.571 1.638 -10.180 1.00 0.00 H new ATOM 168 N VAL A 10 -6.675 3.301 -6.008 1.00 0.00 N ATOM 169 CA VAL A 10 -7.012 3.675 -4.645 1.00 0.00 C ATOM 170 C VAL A 10 -7.553 2.472 -3.889 1.00 0.00 C ATOM 171 O VAL A 10 -7.873 1.447 -4.494 1.00 0.00 O ATOM 172 CB VAL A 10 -8.065 4.809 -4.602 1.00 0.00 C ATOM 173 CG1 VAL A 10 -7.505 6.094 -5.193 1.00 0.00 C ATOM 174 CG2 VAL A 10 -9.339 4.392 -5.328 1.00 0.00 C ATOM 0 H VAL A 10 -7.342 2.664 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.097 4.035 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.314 4.998 -3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.264 6.875 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.631 6.407 -4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.218 5.923 -6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.065 5.204 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.107 4.167 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.757 3.506 -4.850 1.00 0.00 H new ATOM 184 N CYS A 11 -7.637 2.589 -2.570 1.00 0.00 N ATOM 185 CA CYS A 11 -8.256 1.551 -1.761 1.00 0.00 C ATOM 186 C CYS A 11 -9.726 1.423 -2.152 1.00 0.00 C ATOM 187 O CYS A 11 -10.372 2.424 -2.456 1.00 0.00 O ATOM 188 CB CYS A 11 -8.144 1.910 -0.278 1.00 0.00 C ATOM 189 SG CYS A 11 -6.526 2.549 0.209 1.00 0.00 S ATOM 0 H CYS A 11 -7.286 3.388 -2.042 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.747 0.603 -1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.903 2.654 -0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.366 1.024 0.317 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.526 2.805 1.484 1.00 0.00 H new ATOM 195 N PRO A 12 -10.273 0.204 -2.166 1.00 0.00 N ATOM 196 CA PRO A 12 -11.680 -0.019 -2.511 1.00 0.00 C ATOM 197 C PRO A 12 -12.634 0.562 -1.473 1.00 0.00 C ATOM 198 O PRO A 12 -13.482 1.395 -1.792 1.00 0.00 O ATOM 199 CB PRO A 12 -11.810 -1.548 -2.555 1.00 0.00 C ATOM 200 CG PRO A 12 -10.411 -2.059 -2.622 1.00 0.00 C ATOM 201 CD PRO A 12 -9.570 -1.053 -1.898 1.00 0.00 C ATOM 0 HA PRO A 12 -11.944 0.470 -3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.325 -1.925 -1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.388 -1.869 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.332 -3.041 -2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.085 -2.169 -3.656 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.513 -1.266 -0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.547 -1.034 -2.274 1.00 0.00 H new ATOM 209 N VAL A 13 -12.469 0.143 -0.224 1.00 0.00 N ATOM 210 CA VAL A 13 -13.377 0.548 0.841 1.00 0.00 C ATOM 211 C VAL A 13 -13.109 1.984 1.287 1.00 0.00 C ATOM 212 O VAL A 13 -13.895 2.887 0.999 1.00 0.00 O ATOM 213 CB VAL A 13 -13.266 -0.394 2.054 1.00 0.00 C ATOM 214 CG1 VAL A 13 -14.293 -0.034 3.119 1.00 0.00 C ATOM 215 CG2 VAL A 13 -13.424 -1.844 1.618 1.00 0.00 C ATOM 0 H VAL A 13 -11.716 -0.476 0.075 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.387 0.489 0.436 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.275 -0.272 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.194 -0.714 3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.126 0.989 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.296 -0.119 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.343 -2.496 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.400 -1.980 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.642 -2.096 0.901 1.00 0.00 H new ATOM 225 N THR A 14 -11.989 2.184 1.979 1.00 0.00 N ATOM 226 CA THR A 14 -11.620 3.497 2.495 1.00 0.00 C ATOM 227 C THR A 14 -11.503 4.514 1.361 1.00 0.00 C ATOM 228 O THR A 14 -11.797 5.695 1.541 1.00 0.00 O ATOM 229 CB THR A 14 -10.292 3.424 3.252 1.00 0.00 C ATOM 230 OG1 THR A 14 -10.219 2.185 3.970 1.00 0.00 O ATOM 231 CG2 THR A 14 -10.155 4.582 4.229 1.00 0.00 C ATOM 0 H THR A 14 -11.318 1.447 2.195 1.00 0.00 H new ATOM 0 HA THR A 14 -12.406 3.818 3.179 1.00 0.00 H new ATOM 0 HB THR A 14 -9.480 3.486 2.528 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.968 2.361 4.901 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.202 4.505 4.753 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.194 5.525 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.970 4.547 4.951 1.00 0.00 H new ATOM 239 N LYS A 15 -11.068 4.026 0.199 1.00 0.00 N ATOM 240 CA LYS A 15 -11.008 4.820 -1.024 1.00 0.00 C ATOM 241 C LYS A 15 -10.127 6.054 -0.842 1.00 0.00 C ATOM 242 O LYS A 15 -10.614 7.186 -0.831 1.00 0.00 O ATOM 243 CB LYS A 15 -12.424 5.213 -1.451 1.00 0.00 C ATOM 244 CG LYS A 15 -12.573 5.504 -2.935 1.00 0.00 C ATOM 245 CD LYS A 15 -14.032 5.727 -3.322 1.00 0.00 C ATOM 246 CE LYS A 15 -14.867 4.450 -3.215 1.00 0.00 C ATOM 247 NZ LYS A 15 -15.105 4.012 -1.806 1.00 0.00 N ATOM 0 H LYS A 15 -10.747 3.065 0.081 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.556 4.216 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.109 4.409 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.729 6.095 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.989 6.387 -3.193 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.166 4.673 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.462 6.494 -2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.080 6.105 -4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.827 4.611 -3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.363 3.649 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.076 3.652 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.432 3.259 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.972 4.820 -1.164 1.00 0.00 H new ATOM 261 N GLY A 16 -8.830 5.825 -0.689 1.00 0.00 N ATOM 262 CA GLY A 16 -7.908 6.919 -0.464 1.00 0.00 C ATOM 263 C GLY A 16 -6.509 6.612 -0.957 1.00 0.00 C ATOM 264 O GLY A 16 -6.327 5.780 -1.849 1.00 0.00 O ATOM 0 H GLY A 16 -8.400 4.900 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.279 7.812 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.872 7.146 0.602 1.00 0.00 H new ATOM 268 N ARG A 17 -5.527 7.277 -0.360 1.00 0.00 N ATOM 269 CA ARG A 17 -4.145 7.186 -0.781 1.00 0.00 C ATOM 270 C ARG A 17 -3.537 5.815 -0.501 1.00 0.00 C ATOM 271 O ARG A 17 -3.869 5.156 0.485 1.00 0.00 O ATOM 272 CB ARG A 17 -3.340 8.267 -0.067 1.00 0.00 C ATOM 273 CG ARG A 17 -3.607 8.346 1.428 1.00 0.00 C ATOM 274 CD ARG A 17 -2.665 9.318 2.117 1.00 0.00 C ATOM 275 NE ARG A 17 -3.131 9.675 3.458 1.00 0.00 N ATOM 276 CZ ARG A 17 -2.435 9.491 4.577 1.00 0.00 C ATOM 277 NH1 ARG A 17 -1.248 8.896 4.543 1.00 0.00 N ATOM 278 NH2 ARG A 17 -2.937 9.891 5.736 1.00 0.00 N ATOM 0 H ARG A 17 -5.675 7.898 0.436 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.112 7.332 -1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.278 8.081 -0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.566 9.233 -0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.638 8.657 1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.496 7.356 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.672 8.874 2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.570 10.221 1.514 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.057 10.095 3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.863 8.576 3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.721 8.759 5.406 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.853 10.338 5.768 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.407 9.752 6.596 1.00 0.00 H new ATOM 292 N LEU A 18 -2.642 5.399 -1.383 1.00 0.00 N ATOM 293 CA LEU A 18 -1.905 4.158 -1.217 1.00 0.00 C ATOM 294 C LEU A 18 -0.497 4.460 -0.726 1.00 0.00 C ATOM 295 O LEU A 18 0.239 5.224 -1.354 1.00 0.00 O ATOM 296 CB LEU A 18 -1.850 3.394 -2.541 1.00 0.00 C ATOM 297 CG LEU A 18 -3.208 2.963 -3.099 1.00 0.00 C ATOM 298 CD1 LEU A 18 -3.036 2.326 -4.464 1.00 0.00 C ATOM 299 CD2 LEU A 18 -3.902 2.002 -2.145 1.00 0.00 C ATOM 0 H LEU A 18 -2.407 5.912 -2.233 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.414 3.537 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.352 4.019 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.232 2.506 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.835 3.849 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.010 2.024 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.582 3.045 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.392 1.451 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.866 1.708 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.282 1.116 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.056 2.492 -1.184 1.00 0.00 H new ATOM 311 N GLU A 19 -0.132 3.865 0.395 1.00 0.00 N ATOM 312 CA GLU A 19 1.179 4.076 0.985 1.00 0.00 C ATOM 313 C GLU A 19 2.181 3.106 0.368 1.00 0.00 C ATOM 314 O GLU A 19 2.066 1.886 0.512 1.00 0.00 O ATOM 315 CB GLU A 19 1.088 3.916 2.504 1.00 0.00 C ATOM 316 CG GLU A 19 0.158 4.943 3.136 1.00 0.00 C ATOM 317 CD GLU A 19 -0.177 4.643 4.581 1.00 0.00 C ATOM 318 OE1 GLU A 19 -1.180 3.939 4.823 1.00 0.00 O ATOM 319 OE2 GLU A 19 0.545 5.124 5.483 1.00 0.00 O ATOM 0 H GLU A 19 -0.730 3.226 0.919 1.00 0.00 H new ATOM 0 HA GLU A 19 1.527 5.088 0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.734 2.913 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.083 4.014 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.622 5.928 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.766 4.989 2.559 1.00 0.00 H new ATOM 326 N TYR A 20 3.147 3.659 -0.346 1.00 0.00 N ATOM 327 CA TYR A 20 4.048 2.868 -1.167 1.00 0.00 C ATOM 328 C TYR A 20 5.305 2.480 -0.394 1.00 0.00 C ATOM 329 O TYR A 20 6.246 3.264 -0.287 1.00 0.00 O ATOM 330 CB TYR A 20 4.417 3.668 -2.419 1.00 0.00 C ATOM 331 CG TYR A 20 5.012 2.840 -3.535 1.00 0.00 C ATOM 332 CD1 TYR A 20 4.225 1.948 -4.247 1.00 0.00 C ATOM 333 CD2 TYR A 20 6.349 2.965 -3.890 1.00 0.00 C ATOM 334 CE1 TYR A 20 4.750 1.199 -5.280 1.00 0.00 C ATOM 335 CE2 TYR A 20 6.883 2.218 -4.922 1.00 0.00 C ATOM 336 CZ TYR A 20 6.079 1.338 -5.614 1.00 0.00 C ATOM 337 OH TYR A 20 6.603 0.597 -6.646 1.00 0.00 O ATOM 0 H TYR A 20 3.328 4.662 -0.373 1.00 0.00 H new ATOM 0 HA TYR A 20 3.543 1.946 -1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.524 4.170 -2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.128 4.447 -2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.182 1.837 -3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.980 3.656 -3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.123 0.508 -5.823 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.925 2.323 -5.185 1.00 0.00 H new ATOM 0 HH TYR A 20 7.089 1.187 -7.259 1.00 0.00 H new ATOM 347 N HIS A 21 5.303 1.278 0.170 1.00 0.00 N ATOM 348 CA HIS A 21 6.484 0.761 0.855 1.00 0.00 C ATOM 349 C HIS A 21 7.356 -0.028 -0.115 1.00 0.00 C ATOM 350 O HIS A 21 8.579 -0.023 0.003 1.00 0.00 O ATOM 351 CB HIS A 21 6.086 -0.116 2.051 1.00 0.00 C ATOM 352 CG HIS A 21 7.260 -0.689 2.795 1.00 0.00 C ATOM 353 ND1 HIS A 21 8.106 0.076 3.563 1.00 0.00 N ATOM 354 CD2 HIS A 21 7.732 -1.958 2.875 1.00 0.00 C ATOM 355 CE1 HIS A 21 9.044 -0.690 4.083 1.00 0.00 C ATOM 356 NE2 HIS A 21 8.843 -1.932 3.680 1.00 0.00 N ATOM 0 H HIS A 21 4.503 0.646 0.168 1.00 0.00 H new ATOM 0 HA HIS A 21 7.056 1.609 1.232 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.484 0.476 2.740 1.00 0.00 H new ATOM 0 HB3 HIS A 21 5.456 -0.933 1.698 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.311 -2.828 2.394 1.00 0.00 H new ATOM 0 HE1 HIS A 21 9.843 -0.358 4.730 1.00 0.00 H new ATOM 0 HE2 HIS A 21 9.418 -2.738 3.926 1.00 0.00 H new ATOM 365 N GLN A 22 6.706 -0.704 -1.067 1.00 0.00 N ATOM 366 CA GLN A 22 7.396 -1.487 -2.093 1.00 0.00 C ATOM 367 C GLN A 22 8.363 -2.502 -1.475 1.00 0.00 C ATOM 368 O GLN A 22 9.567 -2.261 -1.398 1.00 0.00 O ATOM 369 CB GLN A 22 8.157 -0.567 -3.058 1.00 0.00 C ATOM 370 CG GLN A 22 8.814 -1.305 -4.218 1.00 0.00 C ATOM 371 CD GLN A 22 9.792 -0.438 -4.989 1.00 0.00 C ATOM 372 OE1 GLN A 22 10.979 -0.386 -4.666 1.00 0.00 O ATOM 373 NE2 GLN A 22 9.307 0.242 -6.015 1.00 0.00 N ATOM 0 H GLN A 22 5.689 -0.723 -1.147 1.00 0.00 H new ATOM 0 HA GLN A 22 6.634 -2.036 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.467 0.177 -3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.923 -0.026 -2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.336 -2.182 -3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.042 -1.665 -4.897 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.317 0.172 -6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.923 0.836 -6.570 1.00 0.00 H new ATOM 382 N ASP A 23 7.837 -3.630 -1.017 1.00 0.00 N ATOM 383 CA ASP A 23 8.691 -4.689 -0.490 1.00 0.00 C ATOM 384 C ASP A 23 8.666 -5.893 -1.423 1.00 0.00 C ATOM 385 O ASP A 23 9.631 -6.147 -2.143 1.00 0.00 O ATOM 386 CB ASP A 23 8.270 -5.093 0.922 1.00 0.00 C ATOM 387 CG ASP A 23 9.218 -6.106 1.533 1.00 0.00 C ATOM 388 OD1 ASP A 23 10.432 -5.809 1.632 1.00 0.00 O ATOM 389 OD2 ASP A 23 8.758 -7.193 1.928 1.00 0.00 O ATOM 0 H ASP A 23 6.838 -3.835 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 23 9.710 -4.307 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.230 -4.207 1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.263 -5.510 0.894 1.00 0.00 H new ATOM 394 N LYS A 24 7.553 -6.617 -1.431 1.00 0.00 N ATOM 395 CA LYS A 24 7.360 -7.728 -2.352 1.00 0.00 C ATOM 396 C LYS A 24 6.439 -7.276 -3.476 1.00 0.00 C ATOM 397 O LYS A 24 5.549 -8.012 -3.912 1.00 0.00 O ATOM 398 CB LYS A 24 6.750 -8.927 -1.620 1.00 0.00 C ATOM 399 CG LYS A 24 7.522 -9.348 -0.379 1.00 0.00 C ATOM 400 CD LYS A 24 8.964 -9.700 -0.700 1.00 0.00 C ATOM 401 CE LYS A 24 9.713 -10.154 0.543 1.00 0.00 C ATOM 402 NZ LYS A 24 11.167 -10.321 0.282 1.00 0.00 N ATOM 0 H LYS A 24 6.765 -6.452 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 24 8.322 -8.034 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.727 -8.684 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.697 -9.771 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.500 -8.541 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.032 -10.207 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.989 -10.490 -1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.464 -8.833 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.568 -9.425 1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.296 -11.098 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.643 -10.631 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.307 -11.035 -0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.570 -9.414 -0.029 1.00 0.00 H new ATOM 416 N GLN A 25 6.701 -6.060 -3.957 1.00 0.00 N ATOM 417 CA GLN A 25 5.818 -5.369 -4.884 1.00 0.00 C ATOM 418 C GLN A 25 4.408 -5.317 -4.313 1.00 0.00 C ATOM 419 O GLN A 25 3.521 -6.057 -4.735 1.00 0.00 O ATOM 420 CB GLN A 25 5.832 -6.042 -6.254 1.00 0.00 C ATOM 421 CG GLN A 25 7.229 -6.212 -6.840 1.00 0.00 C ATOM 422 CD GLN A 25 8.011 -4.914 -6.894 1.00 0.00 C ATOM 423 OE1 GLN A 25 7.882 -4.133 -7.838 1.00 0.00 O ATOM 424 NE2 GLN A 25 8.879 -4.701 -5.916 1.00 0.00 N ATOM 0 H GLN A 25 7.536 -5.529 -3.711 1.00 0.00 H new ATOM 0 HA GLN A 25 6.177 -4.348 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.360 -7.021 -6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.227 -5.453 -6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.781 -6.938 -6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.147 -6.623 -7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.958 -5.370 -5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.468 -3.868 -5.929 1.00 0.00 H new ATOM 433 N GLU A 26 4.227 -4.464 -3.315 1.00 0.00 N ATOM 434 CA GLU A 26 2.976 -4.388 -2.591 1.00 0.00 C ATOM 435 C GLU A 26 2.606 -2.940 -2.275 1.00 0.00 C ATOM 436 O GLU A 26 3.477 -2.068 -2.178 1.00 0.00 O ATOM 437 CB GLU A 26 3.116 -5.187 -1.302 1.00 0.00 C ATOM 438 CG GLU A 26 4.304 -4.751 -0.463 1.00 0.00 C ATOM 439 CD GLU A 26 4.671 -5.756 0.603 1.00 0.00 C ATOM 440 OE1 GLU A 26 5.454 -6.672 0.301 1.00 0.00 O ATOM 441 OE2 GLU A 26 4.194 -5.623 1.745 1.00 0.00 O ATOM 0 H GLU A 26 4.940 -3.811 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 26 2.179 -4.802 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.204 -5.082 -0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.218 -6.245 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.163 -4.590 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.078 -3.795 0.009 1.00 0.00 H new ATOM 448 N LEU A 27 1.313 -2.702 -2.118 1.00 0.00 N ATOM 449 CA LEU A 27 0.790 -1.401 -1.733 1.00 0.00 C ATOM 450 C LEU A 27 0.193 -1.496 -0.338 1.00 0.00 C ATOM 451 O LEU A 27 -0.485 -2.469 -0.017 1.00 0.00 O ATOM 452 CB LEU A 27 -0.288 -0.949 -2.721 1.00 0.00 C ATOM 453 CG LEU A 27 0.182 -0.752 -4.161 1.00 0.00 C ATOM 454 CD1 LEU A 27 -1.001 -0.466 -5.073 1.00 0.00 C ATOM 455 CD2 LEU A 27 1.193 0.379 -4.238 1.00 0.00 C ATOM 0 H LEU A 27 0.593 -3.411 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 27 1.601 -0.673 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.092 -1.685 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.713 -0.011 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 27 0.662 -1.671 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.648 -0.328 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.697 -1.304 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.507 0.440 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.518 0.507 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.734 1.302 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.054 0.141 -3.613 1.00 0.00 H new ATOM 467 N TRP A 28 0.433 -0.495 0.490 1.00 0.00 N ATOM 468 CA TRP A 28 -0.031 -0.534 1.866 1.00 0.00 C ATOM 469 C TRP A 28 -1.148 0.476 2.082 1.00 0.00 C ATOM 470 O TRP A 28 -1.151 1.557 1.494 1.00 0.00 O ATOM 471 CB TRP A 28 1.124 -0.263 2.839 1.00 0.00 C ATOM 472 CG TRP A 28 2.068 -1.424 3.003 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.253 -2.466 2.138 1.00 0.00 C ATOM 474 CD2 TRP A 28 2.957 -1.657 4.103 1.00 0.00 C ATOM 475 NE1 TRP A 28 3.195 -3.330 2.638 1.00 0.00 N ATOM 476 CE2 TRP A 28 3.642 -2.858 3.839 1.00 0.00 C ATOM 477 CE3 TRP A 28 3.241 -0.969 5.287 1.00 0.00 C ATOM 478 CZ2 TRP A 28 4.589 -3.383 4.712 1.00 0.00 C ATOM 479 CZ3 TRP A 28 4.182 -1.494 6.153 1.00 0.00 C ATOM 480 CH2 TRP A 28 4.845 -2.690 5.861 1.00 0.00 C ATOM 0 H TRP A 28 0.944 0.351 0.236 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.420 -1.533 2.063 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.686 0.603 2.489 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.712 -0.002 3.814 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.734 -2.591 1.199 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.511 -4.188 2.185 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.734 -0.044 5.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.104 -4.306 4.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.409 -0.972 7.071 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.575 -3.074 6.558 1.00 0.00 H new ATOM 491 N SER A 29 -2.115 0.101 2.895 1.00 0.00 N ATOM 492 CA SER A 29 -3.190 0.994 3.266 1.00 0.00 C ATOM 493 C SER A 29 -3.391 0.949 4.772 1.00 0.00 C ATOM 494 O SER A 29 -4.221 0.197 5.277 1.00 0.00 O ATOM 495 CB SER A 29 -4.479 0.608 2.538 1.00 0.00 C ATOM 496 OG SER A 29 -4.295 0.652 1.133 1.00 0.00 O ATOM 0 H SER A 29 -2.176 -0.827 3.314 1.00 0.00 H new ATOM 0 HA SER A 29 -2.928 2.011 2.974 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.786 -0.394 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.282 1.287 2.826 1.00 0.00 H new ATOM 0 HG SER A 29 -4.969 1.240 0.733 1.00 0.00 H new ATOM 502 N ARG A 30 -2.612 1.745 5.489 1.00 0.00 N ATOM 503 CA ARG A 30 -2.631 1.729 6.943 1.00 0.00 C ATOM 504 C ARG A 30 -3.889 2.396 7.474 1.00 0.00 C ATOM 505 O ARG A 30 -4.255 2.213 8.632 1.00 0.00 O ATOM 506 CB ARG A 30 -1.390 2.421 7.491 1.00 0.00 C ATOM 507 CG ARG A 30 -0.093 1.727 7.110 1.00 0.00 C ATOM 508 CD ARG A 30 1.099 2.646 7.299 1.00 0.00 C ATOM 509 NE ARG A 30 1.240 3.108 8.678 1.00 0.00 N ATOM 510 CZ ARG A 30 1.096 4.373 9.059 1.00 0.00 C ATOM 511 NH1 ARG A 30 0.798 5.309 8.166 1.00 0.00 N ATOM 512 NH2 ARG A 30 1.259 4.697 10.335 1.00 0.00 N ATOM 0 H ARG A 30 -1.956 2.413 5.085 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.631 0.691 7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.365 3.448 7.126 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.461 2.471 8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.035 0.832 7.718 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.143 1.402 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.007 2.123 7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.997 3.508 6.640 1.00 0.00 H new ATOM 0 HE ARG A 30 1.463 2.416 9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.679 5.058 7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.688 6.279 8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.494 3.977 11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.150 5.666 10.633 1.00 0.00 H new ATOM 526 N GLN A 31 -4.550 3.163 6.616 1.00 0.00 N ATOM 527 CA GLN A 31 -5.826 3.763 6.949 1.00 0.00 C ATOM 528 C GLN A 31 -6.910 2.691 7.063 1.00 0.00 C ATOM 529 O GLN A 31 -7.970 2.915 7.650 1.00 0.00 O ATOM 530 CB GLN A 31 -6.197 4.797 5.892 1.00 0.00 C ATOM 531 CG GLN A 31 -6.206 4.261 4.470 1.00 0.00 C ATOM 532 CD GLN A 31 -6.596 5.321 3.458 1.00 0.00 C ATOM 533 OE1 GLN A 31 -7.357 6.236 3.763 1.00 0.00 O ATOM 534 NE2 GLN A 31 -6.074 5.211 2.246 1.00 0.00 N ATOM 0 H GLN A 31 -4.216 3.383 5.678 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.744 4.261 7.915 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.184 5.198 6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.494 5.628 5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.217 3.873 4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.902 3.425 4.404 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.446 4.437 2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.300 5.900 1.529 1.00 0.00 H new ATOM 543 N ALA A 32 -6.632 1.529 6.482 1.00 0.00 N ATOM 544 CA ALA A 32 -7.501 0.367 6.612 1.00 0.00 C ATOM 545 C ALA A 32 -6.763 -0.751 7.342 1.00 0.00 C ATOM 546 O ALA A 32 -7.341 -1.786 7.671 1.00 0.00 O ATOM 547 CB ALA A 32 -7.969 -0.104 5.241 1.00 0.00 C ATOM 0 H ALA A 32 -5.803 1.367 5.911 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.380 0.645 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.617 -0.973 5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.521 0.698 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.105 -0.374 4.635 1.00 0.00 H new ATOM 553 N LYS A 33 -5.472 -0.510 7.589 1.00 0.00 N ATOM 554 CA LYS A 33 -4.596 -1.455 8.280 1.00 0.00 C ATOM 555 C LYS A 33 -4.430 -2.739 7.467 1.00 0.00 C ATOM 556 O LYS A 33 -4.160 -3.810 8.012 1.00 0.00 O ATOM 557 CB LYS A 33 -5.137 -1.736 9.686 1.00 0.00 C ATOM 558 CG LYS A 33 -5.299 -0.467 10.514 1.00 0.00 C ATOM 559 CD LYS A 33 -5.984 -0.720 11.844 1.00 0.00 C ATOM 560 CE LYS A 33 -6.265 0.592 12.559 1.00 0.00 C ATOM 561 NZ LYS A 33 -6.929 0.387 13.870 1.00 0.00 N ATOM 0 H LYS A 33 -5.004 0.353 7.312 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.605 -1.012 8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.100 -2.240 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.462 -2.419 10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.318 -0.027 10.693 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.876 0.262 9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.917 -1.259 11.682 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.354 -1.353 12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.329 1.130 12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.896 1.219 11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.100 1.309 14.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.835 -0.103 13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.317 -0.189 14.483 1.00 0.00 H new ATOM 575 N LEU A 34 -4.545 -2.603 6.148 1.00 0.00 N ATOM 576 CA LEU A 34 -4.432 -3.732 5.233 1.00 0.00 C ATOM 577 C LEU A 34 -3.337 -3.471 4.203 1.00 0.00 C ATOM 578 O LEU A 34 -2.757 -2.382 4.157 1.00 0.00 O ATOM 579 CB LEU A 34 -5.762 -3.972 4.508 1.00 0.00 C ATOM 580 CG LEU A 34 -6.978 -4.207 5.406 1.00 0.00 C ATOM 581 CD1 LEU A 34 -8.242 -4.281 4.568 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.805 -5.482 6.216 1.00 0.00 C ATOM 0 H LEU A 34 -4.718 -1.710 5.687 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.177 -4.617 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.966 -3.112 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.646 -4.835 3.853 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.065 -3.369 6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.100 -4.449 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.375 -3.345 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.160 -5.103 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.680 -5.633 6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.696 -6.330 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.916 -5.398 6.840 1.00 0.00 H new ATOM 594 N ALA A 35 -3.073 -4.468 3.376 1.00 0.00 N ATOM 595 CA ALA A 35 -2.084 -4.355 2.312 1.00 0.00 C ATOM 596 C ALA A 35 -2.554 -5.104 1.068 1.00 0.00 C ATOM 597 O ALA A 35 -3.282 -6.096 1.167 1.00 0.00 O ATOM 598 CB ALA A 35 -0.738 -4.889 2.778 1.00 0.00 C ATOM 0 H ALA A 35 -3.535 -5.376 3.421 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.967 -3.301 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.011 -4.797 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.398 -4.315 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.840 -5.938 3.057 1.00 0.00 H new ATOM 604 N TYR A 36 -2.141 -4.625 -0.097 1.00 0.00 N ATOM 605 CA TYR A 36 -2.532 -5.228 -1.365 1.00 0.00 C ATOM 606 C TYR A 36 -1.290 -5.585 -2.180 1.00 0.00 C ATOM 607 O TYR A 36 -0.296 -4.862 -2.143 1.00 0.00 O ATOM 608 CB TYR A 36 -3.408 -4.258 -2.168 1.00 0.00 C ATOM 609 CG TYR A 36 -4.659 -3.805 -1.446 1.00 0.00 C ATOM 610 CD1 TYR A 36 -5.841 -4.526 -1.543 1.00 0.00 C ATOM 611 CD2 TYR A 36 -4.655 -2.650 -0.673 1.00 0.00 C ATOM 612 CE1 TYR A 36 -6.985 -4.109 -0.889 1.00 0.00 C ATOM 613 CE2 TYR A 36 -5.795 -2.228 -0.016 1.00 0.00 C ATOM 614 CZ TYR A 36 -6.956 -2.961 -0.127 1.00 0.00 C ATOM 615 OH TYR A 36 -8.094 -2.543 0.525 1.00 0.00 O ATOM 0 H TYR A 36 -1.530 -3.814 -0.191 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.101 -6.134 -1.157 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.815 -3.381 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.696 -4.737 -3.104 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.867 -5.427 -2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.746 -2.073 -0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.898 -4.680 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.776 -1.328 0.581 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.904 -1.718 1.019 1.00 0.00 H new ATOM 625 N PRO A 37 -1.323 -6.703 -2.917 1.00 0.00 N ATOM 626 CA PRO A 37 -0.194 -7.143 -3.736 1.00 0.00 C ATOM 627 C PRO A 37 -0.200 -6.540 -5.145 1.00 0.00 C ATOM 628 O PRO A 37 -1.246 -6.138 -5.664 1.00 0.00 O ATOM 629 CB PRO A 37 -0.397 -8.653 -3.791 1.00 0.00 C ATOM 630 CG PRO A 37 -1.876 -8.852 -3.705 1.00 0.00 C ATOM 631 CD PRO A 37 -2.450 -7.648 -2.992 1.00 0.00 C ATOM 0 HA PRO A 37 0.764 -6.831 -3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.004 -9.071 -4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.116 -9.150 -2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.309 -8.952 -4.700 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.110 -9.768 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.290 -7.223 -3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.817 -7.910 -2.000 1.00 0.00 H new ATOM 639 N ILE A 38 0.980 -6.483 -5.752 1.00 0.00 N ATOM 640 CA ILE A 38 1.149 -5.931 -7.090 1.00 0.00 C ATOM 641 C ILE A 38 1.835 -6.940 -8.011 1.00 0.00 C ATOM 642 O ILE A 38 2.807 -7.595 -7.624 1.00 0.00 O ATOM 643 CB ILE A 38 1.977 -4.622 -7.036 1.00 0.00 C ATOM 644 CG1 ILE A 38 1.134 -3.482 -6.459 1.00 0.00 C ATOM 645 CG2 ILE A 38 2.516 -4.246 -8.413 1.00 0.00 C ATOM 646 CD1 ILE A 38 0.107 -2.944 -7.422 1.00 0.00 C ATOM 0 H ILE A 38 1.846 -6.818 -5.330 1.00 0.00 H new ATOM 0 HA ILE A 38 0.160 -5.709 -7.490 1.00 0.00 H new ATOM 0 HB ILE A 38 2.832 -4.793 -6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.628 -3.835 -5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.795 -2.670 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.092 -3.323 -8.339 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.158 -5.045 -8.783 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.684 -4.100 -9.102 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.453 -2.139 -6.945 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.608 -2.560 -8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.578 -3.743 -7.707 1.00 0.00 H new ATOM 658 N LYS A 39 1.321 -7.067 -9.226 1.00 0.00 N ATOM 659 CA LYS A 39 1.902 -7.942 -10.220 1.00 0.00 C ATOM 660 C LYS A 39 2.293 -7.133 -11.446 1.00 0.00 C ATOM 661 O LYS A 39 1.714 -7.295 -12.519 1.00 0.00 O ATOM 662 CB LYS A 39 0.920 -9.050 -10.595 1.00 0.00 C ATOM 663 CG LYS A 39 0.835 -10.170 -9.569 1.00 0.00 C ATOM 664 CD LYS A 39 2.198 -10.796 -9.318 1.00 0.00 C ATOM 665 CE LYS A 39 2.112 -11.992 -8.383 1.00 0.00 C ATOM 666 NZ LYS A 39 1.373 -13.132 -8.993 1.00 0.00 N ATOM 0 H LYS A 39 0.492 -6.566 -9.545 1.00 0.00 H new ATOM 0 HA LYS A 39 2.796 -8.409 -9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.071 -8.615 -10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.213 -9.472 -11.556 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.434 -9.779 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.141 -10.934 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.634 -11.108 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.867 -10.049 -8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.118 -12.315 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.617 -11.693 -7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.497 -13.981 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.362 -12.898 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.743 -13.315 -9.947 1.00 0.00 H new ATOM 680 N ASP A 40 3.262 -6.238 -11.251 1.00 0.00 N ATOM 681 CA ASP A 40 3.719 -5.315 -12.291 1.00 0.00 C ATOM 682 C ASP A 40 2.545 -4.583 -12.934 1.00 0.00 C ATOM 683 O ASP A 40 2.123 -4.902 -14.047 1.00 0.00 O ATOM 684 CB ASP A 40 4.553 -6.040 -13.352 1.00 0.00 C ATOM 685 CG ASP A 40 5.157 -5.085 -14.364 1.00 0.00 C ATOM 686 OD1 ASP A 40 6.103 -4.349 -14.006 1.00 0.00 O ATOM 687 OD2 ASP A 40 4.697 -5.069 -15.525 1.00 0.00 O ATOM 0 H ASP A 40 3.754 -6.132 -10.364 1.00 0.00 H new ATOM 0 HA ASP A 40 4.358 -4.573 -11.811 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.351 -6.600 -12.863 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.926 -6.765 -13.870 1.00 0.00 H new ATOM 692 N GLY A 41 1.974 -3.645 -12.190 1.00 0.00 N ATOM 693 CA GLY A 41 0.915 -2.813 -12.730 1.00 0.00 C ATOM 694 C GLY A 41 -0.455 -3.409 -12.499 1.00 0.00 C ATOM 695 O GLY A 41 -1.470 -2.838 -12.897 1.00 0.00 O ATOM 0 H GLY A 41 2.225 -3.445 -11.222 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.962 -1.825 -12.271 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.074 -2.675 -13.800 1.00 0.00 H new ATOM 699 N ILE A 42 -0.478 -4.567 -11.856 1.00 0.00 N ATOM 700 CA ILE A 42 -1.723 -5.246 -11.529 1.00 0.00 C ATOM 701 C ILE A 42 -1.935 -5.282 -10.019 1.00 0.00 C ATOM 702 O ILE A 42 -1.458 -6.195 -9.342 1.00 0.00 O ATOM 703 CB ILE A 42 -1.770 -6.681 -12.102 1.00 0.00 C ATOM 704 CG1 ILE A 42 -1.636 -6.639 -13.625 1.00 0.00 C ATOM 705 CG2 ILE A 42 -3.063 -7.384 -11.700 1.00 0.00 C ATOM 706 CD1 ILE A 42 -2.741 -5.862 -14.315 1.00 0.00 C ATOM 0 H ILE A 42 0.360 -5.060 -11.548 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.528 -4.676 -11.992 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.936 -7.247 -11.688 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.675 -6.194 -13.884 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.628 -7.659 -14.008 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.073 -8.392 -12.115 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.125 -7.438 -10.613 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.916 -6.825 -12.085 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.578 -5.877 -15.393 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.704 -6.319 -14.088 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.736 -4.831 -13.961 1.00 0.00 H new ATOM 718 N PRO A 43 -2.575 -4.240 -9.465 1.00 0.00 N ATOM 719 CA PRO A 43 -2.930 -4.184 -8.050 1.00 0.00 C ATOM 720 C PRO A 43 -4.138 -5.064 -7.753 1.00 0.00 C ATOM 721 O PRO A 43 -5.172 -4.955 -8.412 1.00 0.00 O ATOM 722 CB PRO A 43 -3.282 -2.704 -7.809 1.00 0.00 C ATOM 723 CG PRO A 43 -2.986 -1.994 -9.091 1.00 0.00 C ATOM 724 CD PRO A 43 -3.019 -3.035 -10.170 1.00 0.00 C ATOM 0 HA PRO A 43 -2.124 -4.542 -7.410 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.331 -2.592 -7.535 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.693 -2.292 -6.990 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.723 -1.214 -9.282 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.011 -1.508 -9.050 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.019 -3.155 -10.587 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.356 -2.782 -10.998 1.00 0.00 H new ATOM 732 N TYR A 44 -4.011 -5.937 -6.774 1.00 0.00 N ATOM 733 CA TYR A 44 -5.115 -6.796 -6.393 1.00 0.00 C ATOM 734 C TYR A 44 -5.890 -6.180 -5.243 1.00 0.00 C ATOM 735 O TYR A 44 -5.750 -6.592 -4.091 1.00 0.00 O ATOM 736 CB TYR A 44 -4.629 -8.199 -6.028 1.00 0.00 C ATOM 737 CG TYR A 44 -4.270 -9.039 -7.232 1.00 0.00 C ATOM 738 CD1 TYR A 44 -5.239 -9.791 -7.883 1.00 0.00 C ATOM 739 CD2 TYR A 44 -2.971 -9.074 -7.723 1.00 0.00 C ATOM 740 CE1 TYR A 44 -4.925 -10.554 -8.987 1.00 0.00 C ATOM 741 CE2 TYR A 44 -2.649 -9.838 -8.828 1.00 0.00 C ATOM 742 CZ TYR A 44 -3.629 -10.574 -9.457 1.00 0.00 C ATOM 743 OH TYR A 44 -3.316 -11.334 -10.561 1.00 0.00 O ATOM 0 H TYR A 44 -3.159 -6.070 -6.230 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.780 -6.891 -7.251 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.758 -8.117 -5.378 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.406 -8.708 -5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.255 -9.778 -7.518 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.201 -8.495 -7.234 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.691 -11.133 -9.482 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.634 -9.858 -9.197 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.362 -11.238 -10.764 1.00 0.00 H new ATOM 753 N MET A 45 -6.685 -5.168 -5.561 1.00 0.00 N ATOM 754 CA MET A 45 -7.535 -4.520 -4.568 1.00 0.00 C ATOM 755 C MET A 45 -8.763 -5.380 -4.269 1.00 0.00 C ATOM 756 O MET A 45 -9.902 -4.969 -4.477 1.00 0.00 O ATOM 757 CB MET A 45 -7.959 -3.107 -5.015 1.00 0.00 C ATOM 758 CG MET A 45 -8.730 -3.048 -6.331 1.00 0.00 C ATOM 759 SD MET A 45 -7.663 -3.132 -7.780 1.00 0.00 S ATOM 760 CE MET A 45 -6.753 -1.596 -7.610 1.00 0.00 C ATOM 0 H MET A 45 -6.760 -4.776 -6.500 1.00 0.00 H new ATOM 0 HA MET A 45 -6.950 -4.414 -3.654 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.574 -2.664 -4.231 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.066 -2.489 -5.107 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.443 -3.871 -6.364 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.308 -2.124 -6.366 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.193 -1.402 -8.525 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.450 -0.778 -7.431 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.061 -1.674 -6.771 1.00 0.00 H new ATOM 770 N LEU A 46 -8.514 -6.588 -3.791 1.00 0.00 N ATOM 771 CA LEU A 46 -9.570 -7.511 -3.443 1.00 0.00 C ATOM 772 C LEU A 46 -9.621 -7.675 -1.935 1.00 0.00 C ATOM 773 O LEU A 46 -8.623 -8.038 -1.320 1.00 0.00 O ATOM 774 CB LEU A 46 -9.312 -8.862 -4.112 1.00 0.00 C ATOM 775 CG LEU A 46 -9.274 -8.836 -5.641 1.00 0.00 C ATOM 776 CD1 LEU A 46 -8.953 -10.219 -6.187 1.00 0.00 C ATOM 777 CD2 LEU A 46 -10.597 -8.335 -6.200 1.00 0.00 C ATOM 0 H LEU A 46 -7.574 -6.952 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.527 -7.121 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.362 -9.254 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.087 -9.560 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.488 -8.150 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.930 -10.184 -7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.981 -10.541 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.718 -10.925 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.551 -8.323 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.402 -8.996 -5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.788 -7.326 -5.834 1.00 0.00 H new ATOM 789 N GLU A 47 -10.777 -7.407 -1.345 1.00 0.00 N ATOM 790 CA GLU A 47 -10.938 -7.479 0.104 1.00 0.00 C ATOM 791 C GLU A 47 -10.638 -8.879 0.627 1.00 0.00 C ATOM 792 O GLU A 47 -10.191 -9.044 1.759 1.00 0.00 O ATOM 793 CB GLU A 47 -12.353 -7.066 0.517 1.00 0.00 C ATOM 794 CG GLU A 47 -12.641 -5.581 0.361 1.00 0.00 C ATOM 795 CD GLU A 47 -12.728 -5.143 -1.086 1.00 0.00 C ATOM 796 OE1 GLU A 47 -13.817 -5.274 -1.682 1.00 0.00 O ATOM 797 OE2 GLU A 47 -11.713 -4.678 -1.631 1.00 0.00 O ATOM 0 H GLU A 47 -11.622 -7.136 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.223 -6.784 0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.072 -7.628 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.512 -7.348 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.579 -5.344 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.858 -5.010 0.861 1.00 0.00 H new ATOM 804 N ASN A 48 -10.881 -9.882 -0.208 1.00 0.00 N ATOM 805 CA ASN A 48 -10.613 -11.267 0.164 1.00 0.00 C ATOM 806 C ASN A 48 -9.113 -11.547 0.192 1.00 0.00 C ATOM 807 O ASN A 48 -8.626 -12.319 1.019 1.00 0.00 O ATOM 808 CB ASN A 48 -11.306 -12.227 -0.809 1.00 0.00 C ATOM 809 CG ASN A 48 -11.181 -13.682 -0.386 1.00 0.00 C ATOM 810 OD1 ASN A 48 -12.011 -14.196 0.366 1.00 0.00 O ATOM 811 ND2 ASN A 48 -10.152 -14.363 -0.867 1.00 0.00 N ATOM 0 H ASN A 48 -11.263 -9.763 -1.146 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.012 -11.427 1.166 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.361 -11.964 -0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.876 -12.104 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.028 -15.344 -0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.483 -13.906 -1.487 1.00 0.00 H new ATOM 818 N GLU A 49 -8.391 -10.901 -0.705 1.00 0.00 N ATOM 819 CA GLU A 49 -6.958 -11.132 -0.847 1.00 0.00 C ATOM 820 C GLU A 49 -6.153 -10.205 0.056 1.00 0.00 C ATOM 821 O GLU A 49 -5.054 -10.550 0.490 1.00 0.00 O ATOM 822 CB GLU A 49 -6.534 -10.934 -2.300 1.00 0.00 C ATOM 823 CG GLU A 49 -7.229 -11.876 -3.267 1.00 0.00 C ATOM 824 CD GLU A 49 -6.991 -13.336 -2.940 1.00 0.00 C ATOM 825 OE1 GLU A 49 -5.838 -13.802 -3.067 1.00 0.00 O ATOM 826 OE2 GLU A 49 -7.959 -14.028 -2.561 1.00 0.00 O ATOM 0 H GLU A 49 -8.772 -10.209 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.755 -12.160 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.742 -9.905 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.456 -11.076 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.300 -11.676 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.878 -11.674 -4.279 1.00 0.00 H new ATOM 833 N ALA A 50 -6.700 -9.028 0.327 1.00 0.00 N ATOM 834 CA ALA A 50 -6.042 -8.055 1.184 1.00 0.00 C ATOM 835 C ALA A 50 -5.774 -8.635 2.568 1.00 0.00 C ATOM 836 O ALA A 50 -6.687 -9.115 3.244 1.00 0.00 O ATOM 837 CB ALA A 50 -6.889 -6.800 1.297 1.00 0.00 C ATOM 0 H ALA A 50 -7.603 -8.724 -0.037 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.083 -7.799 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.386 -6.079 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.030 -6.366 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.859 -7.053 1.724 1.00 0.00 H new ATOM 843 N ARG A 51 -4.520 -8.599 2.977 1.00 0.00 N ATOM 844 CA ARG A 51 -4.125 -9.100 4.276 1.00 0.00 C ATOM 845 C ARG A 51 -3.792 -7.937 5.201 1.00 0.00 C ATOM 846 O ARG A 51 -3.284 -6.911 4.750 1.00 0.00 O ATOM 847 CB ARG A 51 -2.924 -10.035 4.133 1.00 0.00 C ATOM 848 CG ARG A 51 -1.746 -9.413 3.401 1.00 0.00 C ATOM 849 CD ARG A 51 -0.580 -10.383 3.292 1.00 0.00 C ATOM 850 NE ARG A 51 -0.955 -11.617 2.606 1.00 0.00 N ATOM 851 CZ ARG A 51 -0.287 -12.125 1.574 1.00 0.00 C ATOM 852 NH1 ARG A 51 0.779 -11.497 1.089 1.00 0.00 N ATOM 853 NH2 ARG A 51 -0.684 -13.269 1.027 1.00 0.00 N ATOM 0 H ARG A 51 -3.752 -8.224 2.421 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.951 -9.663 4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.599 -10.348 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.236 -10.934 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.058 -9.105 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.424 -8.514 3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.240 -9.905 2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.212 -10.621 4.290 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.778 -12.119 2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.089 -10.620 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.287 -11.892 0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.500 -13.756 1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.173 -13.660 0.236 1.00 0.00 H new ATOM 867 N PRO A 52 -4.104 -8.063 6.496 1.00 0.00 N ATOM 868 CA PRO A 52 -3.822 -7.012 7.474 1.00 0.00 C ATOM 869 C PRO A 52 -2.344 -6.927 7.830 1.00 0.00 C ATOM 870 O PRO A 52 -1.597 -7.898 7.682 1.00 0.00 O ATOM 871 CB PRO A 52 -4.639 -7.429 8.693 1.00 0.00 C ATOM 872 CG PRO A 52 -4.776 -8.909 8.580 1.00 0.00 C ATOM 873 CD PRO A 52 -4.769 -9.229 7.108 1.00 0.00 C ATOM 0 HA PRO A 52 -4.078 -6.025 7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.137 -7.149 9.619 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.614 -6.942 8.700 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.956 -9.414 9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.700 -9.250 9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.227 -10.152 6.902 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.780 -9.360 6.723 1.00 0.00 H new ATOM 881 N LEU A 53 -1.934 -5.763 8.298 1.00 0.00 N ATOM 882 CA LEU A 53 -0.568 -5.540 8.711 1.00 0.00 C ATOM 883 C LEU A 53 -0.454 -5.652 10.213 1.00 0.00 C ATOM 884 O LEU A 53 -1.445 -5.515 10.931 1.00 0.00 O ATOM 885 CB LEU A 53 -0.111 -4.157 8.273 1.00 0.00 C ATOM 886 CG LEU A 53 0.101 -3.995 6.777 1.00 0.00 C ATOM 887 CD1 LEU A 53 0.316 -2.533 6.423 1.00 0.00 C ATOM 888 CD2 LEU A 53 1.279 -4.835 6.307 1.00 0.00 C ATOM 0 H LEU A 53 -2.540 -4.949 8.401 1.00 0.00 H new ATOM 0 HA LEU A 53 0.064 -6.295 8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.850 -3.426 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.822 -3.920 8.785 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.796 -4.345 6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.466 -2.437 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.558 -1.954 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.195 -2.157 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.413 -4.705 5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.183 -4.518 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.086 -5.886 6.523 1.00 0.00 H new ATOM 900 N SER A 54 0.749 -5.899 10.688 1.00 0.00 N ATOM 901 CA SER A 54 0.980 -5.957 12.117 1.00 0.00 C ATOM 902 C SER A 54 1.384 -4.587 12.638 1.00 0.00 C ATOM 903 O SER A 54 1.680 -3.682 11.859 1.00 0.00 O ATOM 904 CB SER A 54 2.048 -6.994 12.457 1.00 0.00 C ATOM 905 OG SER A 54 3.237 -6.772 11.718 1.00 0.00 O ATOM 0 H SER A 54 1.575 -6.062 10.112 1.00 0.00 H new ATOM 0 HA SER A 54 0.052 -6.259 12.602 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.268 -6.956 13.524 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.668 -7.993 12.246 1.00 0.00 H new ATOM 0 HG SER A 54 3.131 -7.131 10.812 1.00 0.00 H new ATOM 911 N GLU A 55 1.412 -4.454 13.953 1.00 0.00 N ATOM 912 CA GLU A 55 1.711 -3.200 14.607 1.00 0.00 C ATOM 913 C GLU A 55 3.093 -2.695 14.235 1.00 0.00 C ATOM 914 O GLU A 55 3.274 -1.517 13.954 1.00 0.00 O ATOM 915 CB GLU A 55 1.631 -3.397 16.113 1.00 0.00 C ATOM 916 CG GLU A 55 0.250 -3.169 16.701 1.00 0.00 C ATOM 917 CD GLU A 55 -0.222 -1.740 16.537 1.00 0.00 C ATOM 918 OE1 GLU A 55 0.171 -0.883 17.357 1.00 0.00 O ATOM 919 OE2 GLU A 55 -0.993 -1.470 15.597 1.00 0.00 O ATOM 0 H GLU A 55 1.226 -5.222 14.598 1.00 0.00 H new ATOM 0 HA GLU A 55 0.983 -2.457 14.280 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.952 -4.411 16.352 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.335 -2.718 16.594 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.461 -3.840 16.220 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.263 -3.424 17.761 1.00 0.00 H new ATOM 926 N GLU A 56 4.061 -3.594 14.244 1.00 0.00 N ATOM 927 CA GLU A 56 5.434 -3.256 13.917 1.00 0.00 C ATOM 928 C GLU A 56 5.524 -2.700 12.498 1.00 0.00 C ATOM 929 O GLU A 56 6.236 -1.733 12.243 1.00 0.00 O ATOM 930 CB GLU A 56 6.287 -4.512 14.070 1.00 0.00 C ATOM 931 CG GLU A 56 7.612 -4.300 14.781 1.00 0.00 C ATOM 932 CD GLU A 56 8.668 -3.678 13.897 1.00 0.00 C ATOM 933 OE1 GLU A 56 9.203 -4.388 13.020 1.00 0.00 O ATOM 934 OE2 GLU A 56 8.985 -2.489 14.083 1.00 0.00 O ATOM 0 H GLU A 56 3.918 -4.576 14.478 1.00 0.00 H new ATOM 0 HA GLU A 56 5.801 -2.483 14.592 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.713 -5.260 14.617 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.484 -4.923 13.080 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.453 -3.662 15.650 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.976 -5.258 15.152 1.00 0.00 H new ATOM 941 N GLU A 57 4.780 -3.309 11.589 1.00 0.00 N ATOM 942 CA GLU A 57 4.709 -2.856 10.214 1.00 0.00 C ATOM 943 C GLU A 57 3.974 -1.526 10.113 1.00 0.00 C ATOM 944 O GLU A 57 4.478 -0.566 9.533 1.00 0.00 O ATOM 945 CB GLU A 57 3.998 -3.915 9.386 1.00 0.00 C ATOM 946 CG GLU A 57 4.717 -5.252 9.389 1.00 0.00 C ATOM 947 CD GLU A 57 3.981 -6.322 8.611 1.00 0.00 C ATOM 948 OE1 GLU A 57 2.924 -6.791 9.091 1.00 0.00 O ATOM 949 OE2 GLU A 57 4.467 -6.718 7.532 1.00 0.00 O ATOM 0 H GLU A 57 4.209 -4.131 11.786 1.00 0.00 H new ATOM 0 HA GLU A 57 5.720 -2.704 9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.987 -4.051 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.903 -3.562 8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.713 -5.123 8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.849 -5.585 10.418 1.00 0.00 H new ATOM 956 N LEU A 58 2.769 -1.499 10.666 1.00 0.00 N ATOM 957 CA LEU A 58 1.960 -0.286 10.739 1.00 0.00 C ATOM 958 C LEU A 58 2.744 0.891 11.300 1.00 0.00 C ATOM 959 O LEU A 58 2.665 2.007 10.785 1.00 0.00 O ATOM 960 CB LEU A 58 0.742 -0.537 11.621 1.00 0.00 C ATOM 961 CG LEU A 58 -0.270 -1.528 11.058 1.00 0.00 C ATOM 962 CD1 LEU A 58 -1.383 -1.783 12.062 1.00 0.00 C ATOM 963 CD2 LEU A 58 -0.843 -1.019 9.745 1.00 0.00 C ATOM 0 H LEU A 58 2.322 -2.318 11.078 1.00 0.00 H new ATOM 0 HA LEU A 58 1.654 -0.035 9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.083 -0.901 12.590 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.238 0.413 11.797 1.00 0.00 H new ATOM 0 HG LEU A 58 0.243 -2.470 10.867 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.096 -2.493 11.642 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.959 -2.193 12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.893 -0.846 12.286 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.563 -1.740 9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.340 -0.063 9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.037 -0.889 9.023 1.00 0.00 H new ATOM 975 N LYS A 59 3.479 0.640 12.366 1.00 0.00 N ATOM 976 CA LYS A 59 4.204 1.688 13.054 1.00 0.00 C ATOM 977 C LYS A 59 5.505 2.054 12.351 1.00 0.00 C ATOM 978 O LYS A 59 5.760 3.224 12.067 1.00 0.00 O ATOM 979 CB LYS A 59 4.493 1.235 14.478 1.00 0.00 C ATOM 980 CG LYS A 59 4.201 2.283 15.535 1.00 0.00 C ATOM 981 CD LYS A 59 5.201 3.429 15.502 1.00 0.00 C ATOM 982 CE LYS A 59 4.953 4.425 16.627 1.00 0.00 C ATOM 983 NZ LYS A 59 5.987 5.494 16.647 1.00 0.00 N ATOM 0 H LYS A 59 3.589 -0.287 12.776 1.00 0.00 H new ATOM 0 HA LYS A 59 3.582 2.583 13.055 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.901 0.345 14.691 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.541 0.945 14.550 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.196 2.676 15.386 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.218 1.817 16.520 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.213 3.032 15.584 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.136 3.941 14.542 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.967 4.874 16.506 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.950 3.902 17.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.788 6.155 17.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.925 5.067 16.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.972 6.008 15.743 1.00 0.00 H new ATOM 997 N ALA A 60 6.314 1.055 12.060 1.00 0.00 N ATOM 998 CA ALA A 60 7.680 1.292 11.624 1.00 0.00 C ATOM 999 C ALA A 60 7.889 0.953 10.151 1.00 0.00 C ATOM 1000 O ALA A 60 8.793 0.195 9.799 1.00 0.00 O ATOM 1001 CB ALA A 60 8.646 0.507 12.501 1.00 0.00 C ATOM 0 H ALA A 60 6.052 0.071 12.117 1.00 0.00 H new ATOM 0 HA ALA A 60 7.879 2.358 11.730 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.668 0.689 12.169 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.539 0.827 13.537 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.424 -0.557 12.425 1.00 0.00 H new ATOM 1007 N LEU A 61 7.065 1.525 9.286 1.00 0.00 N ATOM 1008 CA LEU A 61 7.268 1.381 7.844 1.00 0.00 C ATOM 1009 C LEU A 61 8.080 2.552 7.319 1.00 0.00 C ATOM 1010 O LEU A 61 8.340 2.681 6.122 1.00 0.00 O ATOM 1011 CB LEU A 61 5.941 1.303 7.087 1.00 0.00 C ATOM 1012 CG LEU A 61 5.226 2.640 6.862 1.00 0.00 C ATOM 1013 CD1 LEU A 61 4.150 2.490 5.800 1.00 0.00 C ATOM 1014 CD2 LEU A 61 4.625 3.170 8.156 1.00 0.00 C ATOM 0 H LEU A 61 6.256 2.088 9.549 1.00 0.00 H new ATOM 0 HA LEU A 61 7.806 0.447 7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.124 0.842 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.270 0.640 7.634 1.00 0.00 H new ATOM 0 HG LEU A 61 5.965 3.363 6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.650 3.447 5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.605 2.168 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.421 1.747 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.125 4.119 7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.902 2.451 8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.417 3.320 8.890 1.00 0.00 H new ATOM 1026 N GLU A 62 8.485 3.384 8.245 1.00 0.00 N ATOM 1027 CA GLU A 62 9.183 4.617 7.936 1.00 0.00 C ATOM 1028 C GLU A 62 10.680 4.352 7.850 1.00 0.00 C ATOM 1029 O GLU A 62 11.193 3.436 8.499 1.00 0.00 O ATOM 1030 CB GLU A 62 8.882 5.651 9.024 1.00 0.00 C ATOM 1031 CG GLU A 62 8.649 7.063 8.509 1.00 0.00 C ATOM 1032 CD GLU A 62 9.890 7.688 7.919 1.00 0.00 C ATOM 1033 OE1 GLU A 62 10.701 8.239 8.689 1.00 0.00 O ATOM 1034 OE2 GLU A 62 10.066 7.619 6.688 1.00 0.00 O ATOM 0 H GLU A 62 8.341 3.228 9.243 1.00 0.00 H new ATOM 0 HA GLU A 62 8.845 5.004 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.000 5.330 9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.712 5.668 9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.864 7.043 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.288 7.687 9.327 1.00 0.00 H new ATOM 1041 N HIS A 63 11.381 5.164 7.073 1.00 0.00 N ATOM 1042 CA HIS A 63 12.816 4.974 6.881 1.00 0.00 C ATOM 1043 C HIS A 63 13.605 5.758 7.923 1.00 0.00 C ATOM 1044 O HIS A 63 14.766 6.104 7.714 1.00 0.00 O ATOM 1045 CB HIS A 63 13.265 5.340 5.453 1.00 0.00 C ATOM 1046 CG HIS A 63 12.925 6.731 4.995 1.00 0.00 C ATOM 1047 ND1 HIS A 63 13.771 7.810 5.143 1.00 0.00 N ATOM 1048 CD2 HIS A 63 11.839 7.198 4.339 1.00 0.00 C ATOM 1049 CE1 HIS A 63 13.214 8.878 4.603 1.00 0.00 C ATOM 1050 NE2 HIS A 63 12.041 8.534 4.103 1.00 0.00 N ATOM 0 H HIS A 63 10.986 5.956 6.567 1.00 0.00 H new ATOM 0 HA HIS A 63 13.025 3.913 7.015 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.345 5.211 5.388 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.817 4.630 4.758 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.970 6.624 4.053 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.645 9.868 4.575 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.393 9.158 3.622 1.00 0.00 H new ATOM 1059 N HIS A 64 12.951 6.031 9.046 1.00 0.00 N ATOM 1060 CA HIS A 64 13.616 6.602 10.205 1.00 0.00 C ATOM 1061 C HIS A 64 14.625 5.600 10.752 1.00 0.00 C ATOM 1062 O HIS A 64 15.816 5.892 10.825 1.00 0.00 O ATOM 1063 CB HIS A 64 12.591 6.955 11.287 1.00 0.00 C ATOM 1064 CG HIS A 64 12.503 8.421 11.590 1.00 0.00 C ATOM 1065 ND1 HIS A 64 11.713 9.289 10.870 1.00 0.00 N ATOM 1066 CD2 HIS A 64 13.091 9.165 12.555 1.00 0.00 C ATOM 1067 CE1 HIS A 64 11.817 10.502 11.379 1.00 0.00 C ATOM 1068 NE2 HIS A 64 12.647 10.454 12.404 1.00 0.00 N ATOM 0 H HIS A 64 11.953 5.864 9.176 1.00 0.00 H new ATOM 0 HA HIS A 64 14.133 7.514 9.907 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.610 6.600 10.973 1.00 0.00 H new ATOM 0 HB3 HIS A 64 12.845 6.420 12.202 1.00 0.00 H new ATOM 0 HD1 HIS A 64 11.137 9.034 10.068 1.00 0.00 H new ATOM 0 HD2 HIS A 64 13.782 8.810 13.305 1.00 0.00 H new ATOM 0 HE1 HIS A 64 11.309 11.384 11.018 1.00 0.00 H new ATOM 1077 N HIS A 65 14.121 4.423 11.132 1.00 0.00 N ATOM 1078 CA HIS A 65 14.949 3.298 11.573 1.00 0.00 C ATOM 1079 C HIS A 65 14.076 2.088 11.876 1.00 0.00 C ATOM 1080 O HIS A 65 13.379 2.051 12.891 1.00 0.00 O ATOM 1081 CB HIS A 65 15.789 3.649 12.810 1.00 0.00 C ATOM 1082 CG HIS A 65 17.232 3.887 12.490 1.00 0.00 C ATOM 1083 ND1 HIS A 65 18.072 4.630 13.287 1.00 0.00 N ATOM 1084 CD2 HIS A 65 17.978 3.484 11.435 1.00 0.00 C ATOM 1085 CE1 HIS A 65 19.270 4.673 12.737 1.00 0.00 C ATOM 1086 NE2 HIS A 65 19.241 3.987 11.611 1.00 0.00 N ATOM 0 H HIS A 65 13.121 4.223 11.142 1.00 0.00 H new ATOM 0 HA HIS A 65 15.634 3.064 10.758 1.00 0.00 H new ATOM 0 HB2 HIS A 65 15.376 4.540 13.282 1.00 0.00 H new ATOM 0 HB3 HIS A 65 15.712 2.839 13.536 1.00 0.00 H new ATOM 0 HD2 HIS A 65 17.640 2.878 10.607 1.00 0.00 H new ATOM 0 HE1 HIS A 65 20.131 5.185 13.141 1.00 0.00 H new ATOM 0 HE2 HIS A 65 20.028 3.853 10.976 1.00 0.00 H new ATOM 1095 N HIS A 66 14.100 1.109 10.981 1.00 0.00 N ATOM 1096 CA HIS A 66 13.358 -0.129 11.189 1.00 0.00 C ATOM 1097 C HIS A 66 14.342 -1.254 11.499 1.00 0.00 C ATOM 1098 O HIS A 66 14.612 -1.553 12.660 1.00 0.00 O ATOM 1099 CB HIS A 66 12.504 -0.463 9.956 1.00 0.00 C ATOM 1100 CG HIS A 66 11.461 -1.512 10.207 1.00 0.00 C ATOM 1101 ND1 HIS A 66 10.940 -2.317 9.216 1.00 0.00 N ATOM 1102 CD2 HIS A 66 10.823 -1.868 11.345 1.00 0.00 C ATOM 1103 CE1 HIS A 66 10.031 -3.120 9.739 1.00 0.00 C ATOM 1104 NE2 HIS A 66 9.942 -2.866 11.027 1.00 0.00 N ATOM 0 H HIS A 66 14.623 1.147 10.106 1.00 0.00 H new ATOM 0 HA HIS A 66 12.678 -0.009 12.033 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.015 0.446 9.608 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.159 -0.800 9.153 1.00 0.00 H new ATOM 0 HD2 HIS A 66 10.980 -1.443 12.325 1.00 0.00 H new ATOM 0 HE1 HIS A 66 9.458 -3.860 9.200 1.00 0.00 H new ATOM 0 HE2 HIS A 66 9.318 -3.337 11.682 1.00 0.00 H new ATOM 1113 N HIS A 67 14.884 -1.862 10.457 1.00 0.00 N ATOM 1114 CA HIS A 67 16.016 -2.766 10.604 1.00 0.00 C ATOM 1115 C HIS A 67 17.193 -2.166 9.847 1.00 0.00 C ATOM 1116 O HIS A 67 18.307 -2.689 9.846 1.00 0.00 O ATOM 1117 CB HIS A 67 15.674 -4.160 10.073 1.00 0.00 C ATOM 1118 CG HIS A 67 16.758 -5.174 10.283 1.00 0.00 C ATOM 1119 ND1 HIS A 67 17.357 -5.853 9.246 1.00 0.00 N ATOM 1120 CD2 HIS A 67 17.351 -5.622 11.416 1.00 0.00 C ATOM 1121 CE1 HIS A 67 18.270 -6.673 9.728 1.00 0.00 C ATOM 1122 NE2 HIS A 67 18.286 -6.551 11.040 1.00 0.00 N ATOM 0 H HIS A 67 14.559 -1.747 9.497 1.00 0.00 H new ATOM 0 HA HIS A 67 16.270 -2.882 11.658 1.00 0.00 H new ATOM 0 HB2 HIS A 67 14.764 -4.510 10.560 1.00 0.00 H new ATOM 0 HB3 HIS A 67 15.458 -4.089 9.007 1.00 0.00 H new ATOM 0 HD2 HIS A 67 17.129 -5.307 12.425 1.00 0.00 H new ATOM 0 HE1 HIS A 67 18.898 -7.332 9.147 1.00 0.00 H new ATOM 0 HE2 HIS A 67 18.897 -7.066 11.674 1.00 0.00 H new ATOM 1131 N HIS A 68 16.908 -1.040 9.215 1.00 0.00 N ATOM 1132 CA HIS A 68 17.878 -0.288 8.449 1.00 0.00 C ATOM 1133 C HIS A 68 17.656 1.190 8.717 1.00 0.00 C ATOM 1134 O HIS A 68 18.646 1.929 8.843 1.00 0.00 O ATOM 1135 CB HIS A 68 17.738 -0.592 6.948 1.00 0.00 C ATOM 1136 CG HIS A 68 18.511 0.337 6.059 1.00 0.00 C ATOM 1137 ND1 HIS A 68 19.873 0.250 5.869 1.00 0.00 N ATOM 1138 CD2 HIS A 68 18.098 1.385 5.308 1.00 0.00 C ATOM 1139 CE1 HIS A 68 20.261 1.206 5.047 1.00 0.00 C ATOM 1140 NE2 HIS A 68 19.205 1.908 4.692 1.00 0.00 N ATOM 1141 OXT HIS A 68 16.474 1.589 8.834 1.00 0.00 O ATOM 0 H HIS A 68 15.979 -0.619 9.222 1.00 0.00 H new ATOM 0 HA HIS A 68 18.887 -0.572 8.749 1.00 0.00 H new ATOM 0 HB2 HIS A 68 18.069 -1.614 6.763 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.684 -0.544 6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.084 1.743 5.212 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.275 1.383 4.720 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.210 2.710 4.062 1.00 0.00 H new TER 1150 HIS A 68