USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 4 ASN : amide:sc= -4.64! C(o=-7!,f=-15!) USER MOD Set 1.2: A 60 ASN : amide:sc= -2.38! C(o=-7!,f=-23!) USER MOD Set 2.1: A 24 MET CE :methyl -133:sc= -0.0403 (180deg=-1.39!) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 1 LEU N :NH3+ -110:sc= 0.531 (180deg=0) USER MOD Set 3.2: A 19 ASN : amide:sc= -0.516 K(o=0.014,f=-6.5!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -131:sc= -0.0212 (180deg=-0.432) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc=-0.000423 (180deg=-0.303) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0482 USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= 0.489 (180deg=-0.115) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.56! C(o=-3.6!,f=-11!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.785 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.89! USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.692 12.214 -2.361 1.00 0.00 N ATOM 2 CA LEU A 1 5.720 11.299 -1.234 1.00 0.00 C ATOM 3 C LEU A 1 6.604 10.099 -1.577 1.00 0.00 C ATOM 4 O LEU A 1 6.793 9.779 -2.751 1.00 0.00 O ATOM 5 CB LEU A 1 4.298 10.915 -0.819 1.00 0.00 C ATOM 6 CG LEU A 1 3.885 11.308 0.601 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.869 12.453 0.579 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.363 10.095 1.375 1.00 0.00 C ATOM 0 H1 LEU A 1 6.215 13.080 -2.118 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.135 11.762 -3.186 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.706 12.457 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 1 6.162 11.783 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.600 11.374 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.190 9.835 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 1 4.769 11.670 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.592 12.713 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.310 13.322 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.980 12.140 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.076 10.401 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.496 9.681 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.145 9.338 1.435 1.00 0.00 H new ATOM 20 N LYS A 2 7.123 9.467 -0.535 1.00 0.00 N ATOM 21 CA LYS A 2 7.983 8.310 -0.712 1.00 0.00 C ATOM 22 C LYS A 2 7.227 7.048 -0.291 1.00 0.00 C ATOM 23 O LYS A 2 6.929 6.864 0.887 1.00 0.00 O ATOM 24 CB LYS A 2 9.308 8.509 0.026 1.00 0.00 C ATOM 25 CG LYS A 2 10.071 9.712 -0.528 1.00 0.00 C ATOM 26 CD LYS A 2 10.144 10.839 0.504 1.00 0.00 C ATOM 27 CE LYS A 2 11.567 11.388 0.617 1.00 0.00 C ATOM 28 NZ LYS A 2 11.936 12.129 -0.610 1.00 0.00 N ATOM 0 H LYS A 2 6.964 9.735 0.436 1.00 0.00 H new ATOM 0 HA LYS A 2 8.246 8.188 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.117 8.654 1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.919 7.612 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.079 9.408 -0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.580 10.073 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.463 11.641 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.815 10.469 1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.641 12.046 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.267 10.569 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.905 12.495 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.885 11.491 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.278 12.923 -0.747 1.00 0.00 H new ATOM 42 N CYS A 3 6.938 6.213 -1.279 1.00 0.00 N ATOM 43 CA CYS A 3 6.221 4.975 -1.025 1.00 0.00 C ATOM 44 C CYS A 3 7.203 3.811 -1.185 1.00 0.00 C ATOM 45 O CYS A 3 8.081 3.849 -2.045 1.00 0.00 O ATOM 46 CB CYS A 3 5.006 4.826 -1.942 1.00 0.00 C ATOM 47 SG CYS A 3 3.953 6.317 -2.068 1.00 0.00 S ATOM 0 H CYS A 3 7.187 6.370 -2.256 1.00 0.00 H new ATOM 0 HA CYS A 3 5.827 4.981 -0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.352 4.557 -2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.396 3.997 -1.582 1.00 0.00 H new ATOM 52 N ASN A 4 7.021 2.805 -0.342 1.00 0.00 N ATOM 53 CA ASN A 4 7.879 1.633 -0.379 1.00 0.00 C ATOM 54 C ASN A 4 7.186 0.525 -1.175 1.00 0.00 C ATOM 55 O ASN A 4 6.034 0.672 -1.579 1.00 0.00 O ATOM 56 CB ASN A 4 8.150 1.104 1.031 1.00 0.00 C ATOM 57 CG ASN A 4 8.432 2.252 2.002 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.409 3.420 1.648 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.698 1.857 3.244 1.00 0.00 N ATOM 0 H ASN A 4 6.292 2.777 0.371 1.00 0.00 H new ATOM 0 HA ASN A 4 8.822 1.920 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.291 0.531 1.380 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.001 0.423 1.011 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.899 2.548 3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.701 0.863 3.473 1.00 0.00 H new ATOM 66 N LYS A 5 7.918 -0.561 -1.376 1.00 0.00 N ATOM 67 CA LYS A 5 7.389 -1.694 -2.116 1.00 0.00 C ATOM 68 C LYS A 5 6.797 -2.707 -1.134 1.00 0.00 C ATOM 69 O LYS A 5 6.497 -2.366 0.009 1.00 0.00 O ATOM 70 CB LYS A 5 8.463 -2.283 -3.034 1.00 0.00 C ATOM 71 CG LYS A 5 9.139 -1.187 -3.860 1.00 0.00 C ATOM 72 CD LYS A 5 10.584 -0.970 -3.407 1.00 0.00 C ATOM 73 CE LYS A 5 11.570 -1.484 -4.457 1.00 0.00 C ATOM 74 NZ LYS A 5 11.837 -2.925 -4.258 1.00 0.00 N ATOM 0 H LYS A 5 8.873 -0.680 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 5 6.580 -1.376 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.210 -2.806 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.013 -3.020 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.122 -1.460 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.580 -0.256 -3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.758 0.091 -3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.754 -1.484 -2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.166 -1.318 -5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.503 -0.923 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.863 -3.092 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.445 -3.228 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.391 -3.470 -5.023 1.00 0.00 H new ATOM 88 N LEU A 6 6.646 -3.931 -1.617 1.00 0.00 N ATOM 89 CA LEU A 6 6.094 -4.997 -0.796 1.00 0.00 C ATOM 90 C LEU A 6 6.830 -5.034 0.545 1.00 0.00 C ATOM 91 O LEU A 6 6.220 -5.280 1.584 1.00 0.00 O ATOM 92 CB LEU A 6 6.125 -6.327 -1.552 1.00 0.00 C ATOM 93 CG LEU A 6 5.193 -7.420 -1.025 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.455 -8.112 -2.173 1.00 0.00 C ATOM 95 CD2 LEU A 6 5.957 -8.416 -0.151 1.00 0.00 C ATOM 0 H LEU A 6 6.896 -4.209 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 6 5.043 -4.806 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.874 -6.135 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.146 -6.708 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 6 4.438 -6.951 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.799 -8.884 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.860 -7.379 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.179 -8.567 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.272 -9.183 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.747 -8.884 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.397 -7.892 0.698 1.00 0.00 H new ATOM 107 N VAL A 7 8.129 -4.787 0.478 1.00 0.00 N ATOM 108 CA VAL A 7 8.955 -4.790 1.674 1.00 0.00 C ATOM 109 C VAL A 7 9.246 -3.346 2.090 1.00 0.00 C ATOM 110 O VAL A 7 9.648 -2.527 1.264 1.00 0.00 O ATOM 111 CB VAL A 7 10.223 -5.611 1.432 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.225 -5.419 2.573 1.00 0.00 C ATOM 113 CG2 VAL A 7 9.890 -7.090 1.237 1.00 0.00 C ATOM 0 H VAL A 7 8.631 -4.583 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 7 8.429 -5.267 2.501 1.00 0.00 H new ATOM 0 HB VAL A 7 10.687 -5.250 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.118 -6.013 2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.498 -4.366 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.774 -5.741 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.809 -7.651 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.392 -7.471 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.231 -7.204 0.376 1.00 0.00 H new ATOM 123 N PRO A 8 9.032 -3.079 3.370 1.00 0.00 N ATOM 124 CA PRO A 8 9.611 -1.854 4.009 1.00 0.00 C ATOM 125 C PRO A 8 11.164 -1.648 4.054 1.00 0.00 C ATOM 126 O PRO A 8 11.741 -1.494 5.130 1.00 0.00 O ATOM 127 CB PRO A 8 8.974 -1.885 5.417 1.00 0.00 C ATOM 128 CG PRO A 8 7.788 -2.845 5.319 1.00 0.00 C ATOM 129 CD PRO A 8 8.229 -3.889 4.296 1.00 0.00 C ATOM 0 HA PRO A 8 9.377 -0.993 3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.692 -2.226 6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.647 -0.890 5.720 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.566 -3.302 6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.884 -2.329 4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.813 -4.688 4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.380 -4.359 3.799 1.00 0.00 H new ATOM 137 N ILE A 9 11.765 -1.657 2.874 1.00 0.00 N ATOM 138 CA ILE A 9 13.203 -1.478 2.765 1.00 0.00 C ATOM 139 C ILE A 9 13.507 -0.518 1.613 1.00 0.00 C ATOM 140 O ILE A 9 14.155 0.509 1.811 1.00 0.00 O ATOM 141 CB ILE A 9 13.903 -2.832 2.637 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.423 -2.672 2.695 1.00 0.00 C ATOM 143 CG2 ILE A 9 13.451 -3.566 1.373 1.00 0.00 C ATOM 144 CD1 ILE A 9 15.882 -2.299 4.107 1.00 0.00 C ATOM 0 H ILE A 9 11.283 -1.785 1.985 1.00 0.00 H new ATOM 0 HA ILE A 9 13.600 -1.024 3.673 1.00 0.00 H new ATOM 0 HB ILE A 9 13.612 -3.448 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.902 -3.601 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 9 15.738 -1.902 1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 9 13.964 -4.526 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.374 -3.732 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.692 -2.964 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.967 -2.191 4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.420 -1.357 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 9 15.587 -3.083 4.805 1.00 0.00 H new ATOM 156 N ALA A 10 13.024 -0.886 0.435 1.00 0.00 N ATOM 157 CA ALA A 10 13.236 -0.069 -0.748 1.00 0.00 C ATOM 158 C ALA A 10 11.970 0.740 -1.039 1.00 0.00 C ATOM 159 O ALA A 10 10.867 0.196 -1.029 1.00 0.00 O ATOM 160 CB ALA A 10 13.638 -0.966 -1.921 1.00 0.00 C ATOM 0 H ALA A 10 12.487 -1.738 0.275 1.00 0.00 H new ATOM 0 HA ALA A 10 14.048 0.639 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.797 -0.354 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.558 -1.496 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.845 -1.688 -2.115 1.00 0.00 H new ATOM 166 N TYR A 11 12.171 2.024 -1.289 1.00 0.00 N ATOM 167 CA TYR A 11 11.059 2.913 -1.583 1.00 0.00 C ATOM 168 C TYR A 11 11.503 4.067 -2.485 1.00 0.00 C ATOM 169 O TYR A 11 12.666 4.464 -2.463 1.00 0.00 O ATOM 170 CB TYR A 11 10.606 3.479 -0.236 1.00 0.00 C ATOM 171 CG TYR A 11 11.720 4.165 0.558 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.543 3.420 1.377 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.901 5.530 0.454 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.592 4.066 2.123 1.00 0.00 C ATOM 175 CE2 TYR A 11 12.949 6.175 1.201 1.00 0.00 C ATOM 176 CZ TYR A 11 13.742 5.412 1.999 1.00 0.00 C ATOM 177 OH TYR A 11 14.733 6.023 2.704 1.00 0.00 O ATOM 0 H TYR A 11 13.088 2.472 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 11 10.264 2.376 -2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.802 4.195 -0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.191 2.670 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.401 2.353 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.257 6.113 -0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.245 3.495 2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.102 7.242 1.129 1.00 0.00 H new ATOM 0 HH TYR A 11 14.722 6.985 2.517 1.00 0.00 H new ATOM 187 N LYS A 12 10.552 4.572 -3.255 1.00 0.00 N ATOM 188 CA LYS A 12 10.829 5.673 -4.163 1.00 0.00 C ATOM 189 C LYS A 12 9.750 6.745 -4.002 1.00 0.00 C ATOM 190 O LYS A 12 8.882 6.633 -3.138 1.00 0.00 O ATOM 191 CB LYS A 12 10.978 5.160 -5.597 1.00 0.00 C ATOM 192 CG LYS A 12 12.344 5.538 -6.174 1.00 0.00 C ATOM 193 CD LYS A 12 12.188 6.346 -7.464 1.00 0.00 C ATOM 194 CE LYS A 12 11.625 5.479 -8.591 1.00 0.00 C ATOM 195 NZ LYS A 12 11.374 6.296 -9.799 1.00 0.00 N ATOM 0 H LYS A 12 9.588 4.240 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 12 11.782 6.140 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.859 4.077 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.187 5.577 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.904 6.119 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.921 4.635 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.526 7.194 -7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.155 6.752 -7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.326 4.678 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.698 5.006 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.992 5.691 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.688 7.045 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.265 6.727 -10.118 1.00 0.00 H new ATOM 209 N THR A 13 9.839 7.760 -4.849 1.00 0.00 N ATOM 210 CA THR A 13 8.880 8.852 -4.811 1.00 0.00 C ATOM 211 C THR A 13 7.680 8.538 -5.705 1.00 0.00 C ATOM 212 O THR A 13 7.845 8.192 -6.874 1.00 0.00 O ATOM 213 CB THR A 13 9.612 10.137 -5.205 1.00 0.00 C ATOM 214 OG1 THR A 13 9.995 10.714 -3.960 1.00 0.00 O ATOM 215 CG2 THR A 13 8.677 11.176 -5.826 1.00 0.00 C ATOM 0 H THR A 13 10.560 7.850 -5.565 1.00 0.00 H new ATOM 0 HA THR A 13 8.473 8.987 -3.809 1.00 0.00 H new ATOM 0 HB THR A 13 10.409 9.899 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.478 11.551 -4.122 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.246 12.068 -6.087 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.218 10.762 -6.724 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.899 11.439 -5.110 1.00 0.00 H new ATOM 223 N CYS A 14 6.498 8.668 -5.121 1.00 0.00 N ATOM 224 CA CYS A 14 5.269 8.403 -5.851 1.00 0.00 C ATOM 225 C CYS A 14 5.020 9.566 -6.812 1.00 0.00 C ATOM 226 O CYS A 14 4.788 10.694 -6.381 1.00 0.00 O ATOM 227 CB CYS A 14 4.087 8.182 -4.905 1.00 0.00 C ATOM 228 SG CYS A 14 4.248 6.731 -3.800 1.00 0.00 S ATOM 0 H CYS A 14 6.365 8.953 -4.151 1.00 0.00 H new ATOM 0 HA CYS A 14 5.373 7.479 -6.420 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.958 9.075 -4.293 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.180 8.069 -5.499 1.00 0.00 H new ATOM 233 N PRO A 15 5.078 9.251 -8.098 1.00 0.00 N ATOM 234 CA PRO A 15 4.991 10.308 -9.156 1.00 0.00 C ATOM 235 C PRO A 15 3.709 11.204 -9.270 1.00 0.00 C ATOM 236 O PRO A 15 2.768 11.050 -8.492 1.00 0.00 O ATOM 237 CB PRO A 15 5.269 9.507 -10.448 1.00 0.00 C ATOM 238 CG PRO A 15 4.869 8.063 -10.139 1.00 0.00 C ATOM 239 CD PRO A 15 5.224 7.880 -8.665 1.00 0.00 C ATOM 0 HA PRO A 15 5.696 11.102 -8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.692 9.902 -11.284 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.321 9.570 -10.728 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.806 7.898 -10.316 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.410 7.357 -10.769 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.556 7.171 -8.177 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.238 7.500 -8.541 1.00 0.00 H new ATOM 247 N GLU A 16 3.739 12.104 -10.242 1.00 0.00 N ATOM 248 CA GLU A 16 2.620 13.003 -10.464 1.00 0.00 C ATOM 249 C GLU A 16 1.342 12.205 -10.727 1.00 0.00 C ATOM 250 O GLU A 16 1.286 11.404 -11.659 1.00 0.00 O ATOM 251 CB GLU A 16 2.911 13.967 -11.616 1.00 0.00 C ATOM 252 CG GLU A 16 3.887 15.062 -11.181 1.00 0.00 C ATOM 253 CD GLU A 16 5.067 15.163 -12.151 1.00 0.00 C ATOM 254 OE1 GLU A 16 5.508 14.092 -12.621 1.00 0.00 O ATOM 255 OE2 GLU A 16 5.500 16.309 -12.401 1.00 0.00 O ATOM 0 H GLU A 16 4.521 12.230 -10.885 1.00 0.00 H new ATOM 0 HA GLU A 16 2.474 13.599 -9.563 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.329 13.416 -12.459 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.981 14.419 -11.960 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.368 16.019 -11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.254 14.849 -10.177 1.00 0.00 H new ATOM 262 N GLY A 17 0.345 12.450 -9.890 1.00 0.00 N ATOM 263 CA GLY A 17 -0.929 11.764 -10.020 1.00 0.00 C ATOM 264 C GLY A 17 -1.229 10.924 -8.777 1.00 0.00 C ATOM 265 O GLY A 17 -2.371 10.866 -8.325 1.00 0.00 O ATOM 0 H GLY A 17 0.394 13.115 -9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.725 12.493 -10.171 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.913 11.123 -10.901 1.00 0.00 H new ATOM 269 N LYS A 18 -0.184 10.296 -8.260 1.00 0.00 N ATOM 270 CA LYS A 18 -0.321 9.462 -7.078 1.00 0.00 C ATOM 271 C LYS A 18 0.617 9.976 -5.985 1.00 0.00 C ATOM 272 O LYS A 18 1.828 9.775 -6.056 1.00 0.00 O ATOM 273 CB LYS A 18 -0.103 7.989 -7.434 1.00 0.00 C ATOM 274 CG LYS A 18 1.260 7.781 -8.099 1.00 0.00 C ATOM 275 CD LYS A 18 1.106 7.100 -9.460 1.00 0.00 C ATOM 276 CE LYS A 18 1.332 5.591 -9.346 1.00 0.00 C ATOM 277 NZ LYS A 18 2.769 5.269 -9.489 1.00 0.00 N ATOM 0 H LYS A 18 0.762 10.348 -8.638 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.335 9.524 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.168 7.380 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.894 7.652 -8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.759 8.742 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.895 7.174 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.109 7.293 -9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.818 7.526 -10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.968 5.235 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.759 5.073 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.879 4.256 -9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.174 5.828 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.265 5.496 -8.604 1.00 0.00 H new ATOM 291 N ASN A 19 0.022 10.629 -4.998 1.00 0.00 N ATOM 292 CA ASN A 19 0.789 11.173 -3.890 1.00 0.00 C ATOM 293 C ASN A 19 0.372 10.474 -2.594 1.00 0.00 C ATOM 294 O ASN A 19 0.672 10.955 -1.502 1.00 0.00 O ATOM 295 CB ASN A 19 0.529 12.671 -3.724 1.00 0.00 C ATOM 296 CG ASN A 19 1.741 13.373 -3.108 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.833 12.834 -3.038 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.489 14.603 -2.668 1.00 0.00 N ATOM 0 H ASN A 19 -0.983 10.794 -4.942 1.00 0.00 H new ATOM 0 HA ASN A 19 1.846 11.011 -4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.302 13.114 -4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.345 12.824 -3.091 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.233 15.154 -2.241 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.551 14.995 -2.758 1.00 0.00 H new ATOM 305 N LEU A 20 -0.314 9.353 -2.758 1.00 0.00 N ATOM 306 CA LEU A 20 -0.775 8.585 -1.615 1.00 0.00 C ATOM 307 C LEU A 20 -0.216 7.163 -1.702 1.00 0.00 C ATOM 308 O LEU A 20 -0.110 6.599 -2.790 1.00 0.00 O ATOM 309 CB LEU A 20 -2.302 8.639 -1.513 1.00 0.00 C ATOM 310 CG LEU A 20 -2.917 10.036 -1.409 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.397 10.014 -1.798 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.699 10.629 -0.014 1.00 0.00 C ATOM 0 H LEU A 20 -0.562 8.958 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.400 9.020 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.723 8.142 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.609 8.062 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.407 10.687 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.810 11.019 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.498 9.663 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.939 9.343 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.146 11.622 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.166 9.986 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.630 10.702 0.187 1.00 0.00 H new ATOM 324 N CYS A 21 0.127 6.624 -0.541 1.00 0.00 N ATOM 325 CA CYS A 21 0.673 5.280 -0.473 1.00 0.00 C ATOM 326 C CYS A 21 -0.318 4.396 0.289 1.00 0.00 C ATOM 327 O CYS A 21 -0.835 4.795 1.331 1.00 0.00 O ATOM 328 CB CYS A 21 2.062 5.265 0.170 1.00 0.00 C ATOM 329 SG CYS A 21 3.137 6.671 -0.293 1.00 0.00 S ATOM 0 H CYS A 21 0.037 7.094 0.360 1.00 0.00 H new ATOM 0 HA CYS A 21 0.807 4.888 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.945 5.257 1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.564 4.337 -0.104 1.00 0.00 H new ATOM 334 N TYR A 22 -0.552 3.215 -0.262 1.00 0.00 N ATOM 335 CA TYR A 22 -1.472 2.272 0.352 1.00 0.00 C ATOM 336 C TYR A 22 -0.886 0.859 0.358 1.00 0.00 C ATOM 337 O TYR A 22 0.043 0.565 -0.393 1.00 0.00 O ATOM 338 CB TYR A 22 -2.732 2.286 -0.516 1.00 0.00 C ATOM 339 CG TYR A 22 -2.581 1.542 -1.843 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.478 0.165 -1.856 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.546 2.246 -3.030 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.336 -0.536 -3.106 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.404 1.546 -4.279 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.306 0.190 -4.256 1.00 0.00 C ATOM 345 OH TYR A 22 -2.172 -0.472 -5.436 1.00 0.00 O ATOM 0 H TYR A 22 -0.121 2.889 -1.127 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.674 2.551 1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.553 1.842 0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.008 3.320 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.504 -0.387 -0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.625 3.323 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.255 -1.613 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.376 2.086 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.167 0.173 -6.174 1.00 0.00 H new ATOM 355 N LYS A 23 -1.453 0.021 1.213 1.00 0.00 N ATOM 356 CA LYS A 23 -0.999 -1.355 1.326 1.00 0.00 C ATOM 357 C LYS A 23 -2.194 -2.258 1.637 1.00 0.00 C ATOM 358 O LYS A 23 -2.854 -2.090 2.661 1.00 0.00 O ATOM 359 CB LYS A 23 0.135 -1.462 2.348 1.00 0.00 C ATOM 360 CG LYS A 23 -0.119 -0.548 3.548 1.00 0.00 C ATOM 361 CD LYS A 23 1.147 -0.385 4.391 1.00 0.00 C ATOM 362 CE LYS A 23 0.928 0.627 5.518 1.00 0.00 C ATOM 363 NZ LYS A 23 1.720 0.253 6.711 1.00 0.00 N ATOM 0 H LYS A 23 -2.223 0.268 1.834 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.579 -1.697 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.228 -2.494 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.081 -1.194 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.457 0.428 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.918 -0.962 4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.434 -1.348 4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.971 -0.056 3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.215 1.623 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.130 0.670 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.086 0.145 7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.212 -0.646 6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.419 0.997 6.911 1.00 0.00 H new ATOM 377 N MET A 24 -2.436 -3.197 0.734 1.00 0.00 N ATOM 378 CA MET A 24 -3.540 -4.127 0.899 1.00 0.00 C ATOM 379 C MET A 24 -3.071 -5.422 1.564 1.00 0.00 C ATOM 380 O MET A 24 -2.086 -6.023 1.137 1.00 0.00 O ATOM 381 CB MET A 24 -4.148 -4.446 -0.468 1.00 0.00 C ATOM 382 CG MET A 24 -5.197 -3.403 -0.859 1.00 0.00 C ATOM 383 SD MET A 24 -4.534 -2.306 -2.101 1.00 0.00 S ATOM 384 CE MET A 24 -5.140 -3.106 -3.577 1.00 0.00 C ATOM 0 H MET A 24 -1.886 -3.334 -0.114 1.00 0.00 H new ATOM 0 HA MET A 24 -4.289 -3.662 1.540 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.361 -4.476 -1.222 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.605 -5.435 -0.445 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.090 -3.899 -1.239 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.499 -2.832 0.019 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.331 -3.191 -4.303 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.509 -4.101 -3.326 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.950 -2.516 -4.004 1.00 0.00 H new ATOM 394 N PHE A 25 -3.799 -5.815 2.600 1.00 0.00 N ATOM 395 CA PHE A 25 -3.470 -7.029 3.328 1.00 0.00 C ATOM 396 C PHE A 25 -4.597 -8.056 3.219 1.00 0.00 C ATOM 397 O PHE A 25 -5.757 -7.741 3.479 1.00 0.00 O ATOM 398 CB PHE A 25 -3.294 -6.635 4.796 1.00 0.00 C ATOM 399 CG PHE A 25 -2.383 -5.425 5.012 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.856 -4.169 4.791 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.100 -5.605 5.424 1.00 0.00 C ATOM 402 CE1 PHE A 25 -2.011 -3.045 4.991 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.255 -4.482 5.624 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.728 -3.226 5.403 1.00 0.00 C ATOM 0 H PHE A 25 -4.615 -5.314 2.952 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.566 -7.477 2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.273 -6.420 5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.887 -7.485 5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.875 -4.026 4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.724 -6.602 5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.387 -2.048 4.816 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.764 -4.625 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.084 -2.372 5.555 1.00 0.00 H new ATOM 414 N MET A 26 -4.217 -9.266 2.835 1.00 0.00 N ATOM 415 CA MET A 26 -5.182 -10.343 2.688 1.00 0.00 C ATOM 416 C MET A 26 -5.438 -11.036 4.028 1.00 0.00 C ATOM 417 O MET A 26 -4.608 -10.971 4.934 1.00 0.00 O ATOM 418 CB MET A 26 -4.657 -11.365 1.678 1.00 0.00 C ATOM 419 CG MET A 26 -5.764 -11.805 0.718 1.00 0.00 C ATOM 420 SD MET A 26 -6.249 -13.486 1.076 1.00 0.00 S ATOM 421 CE MET A 26 -5.854 -14.259 -0.484 1.00 0.00 C ATOM 0 H MET A 26 -3.254 -9.525 2.621 1.00 0.00 H new ATOM 0 HA MET A 26 -6.121 -9.918 2.334 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.831 -10.932 1.113 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.262 -12.233 2.206 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.624 -11.142 0.812 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.415 -11.730 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.097 -15.321 -0.436 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.433 -13.790 -1.279 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.791 -14.139 -0.691 1.00 0.00 H new ATOM 431 N MET A 27 -6.591 -11.682 4.113 1.00 0.00 N ATOM 432 CA MET A 27 -6.967 -12.387 5.326 1.00 0.00 C ATOM 433 C MET A 27 -6.354 -11.719 6.560 1.00 0.00 C ATOM 434 O MET A 27 -5.433 -12.260 7.169 1.00 0.00 O ATOM 435 CB MET A 27 -6.493 -13.839 5.243 1.00 0.00 C ATOM 436 CG MET A 27 -7.550 -14.724 4.579 1.00 0.00 C ATOM 437 SD MET A 27 -8.469 -15.614 5.823 1.00 0.00 S ATOM 438 CE MET A 27 -7.394 -17.019 6.057 1.00 0.00 C ATOM 0 H MET A 27 -7.278 -11.732 3.361 1.00 0.00 H new ATOM 0 HA MET A 27 -8.053 -12.356 5.420 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.563 -13.890 4.677 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.277 -14.213 6.244 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.227 -14.112 3.983 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.072 -15.426 3.896 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.821 -17.683 6.808 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.288 -17.557 5.115 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.415 -16.676 6.391 1.00 0.00 H new ATOM 448 N SER A 28 -6.890 -10.554 6.890 1.00 0.00 N ATOM 449 CA SER A 28 -6.408 -9.808 8.040 1.00 0.00 C ATOM 450 C SER A 28 -5.287 -8.858 7.613 1.00 0.00 C ATOM 451 O SER A 28 -4.571 -9.131 6.651 1.00 0.00 O ATOM 452 CB SER A 28 -5.917 -10.749 9.141 1.00 0.00 C ATOM 453 OG SER A 28 -5.985 -10.144 10.430 1.00 0.00 O ATOM 0 H SER A 28 -7.653 -10.108 6.381 1.00 0.00 H new ATOM 0 HA SER A 28 -7.237 -9.225 8.442 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.518 -11.658 9.135 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.889 -11.045 8.933 1.00 0.00 H new ATOM 0 HG SER A 28 -5.665 -10.777 11.106 1.00 0.00 H new ATOM 459 N ASP A 29 -5.170 -7.763 8.351 1.00 0.00 N ATOM 460 CA ASP A 29 -4.148 -6.772 8.061 1.00 0.00 C ATOM 461 C ASP A 29 -3.091 -6.797 9.167 1.00 0.00 C ATOM 462 O ASP A 29 -1.910 -6.573 8.907 1.00 0.00 O ATOM 463 CB ASP A 29 -4.745 -5.364 8.008 1.00 0.00 C ATOM 464 CG ASP A 29 -6.167 -5.244 8.559 1.00 0.00 C ATOM 465 OD1 ASP A 29 -7.021 -6.035 8.105 1.00 0.00 O ATOM 466 OD2 ASP A 29 -6.368 -4.364 9.423 1.00 0.00 O ATOM 0 H ASP A 29 -5.766 -7.541 9.149 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.709 -7.014 7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.097 -4.689 8.567 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.743 -5.023 6.973 1.00 0.00 H new ATOM 471 N LEU A 30 -3.554 -7.071 10.377 1.00 0.00 N ATOM 472 CA LEU A 30 -2.664 -7.127 11.524 1.00 0.00 C ATOM 473 C LEU A 30 -1.355 -7.806 11.115 1.00 0.00 C ATOM 474 O LEU A 30 -0.298 -7.511 11.671 1.00 0.00 O ATOM 475 CB LEU A 30 -3.360 -7.798 12.710 1.00 0.00 C ATOM 476 CG LEU A 30 -4.530 -7.027 13.325 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.401 -7.946 14.184 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.033 -5.811 14.109 1.00 0.00 C ATOM 0 H LEU A 30 -4.534 -7.257 10.588 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.411 -6.121 11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.723 -8.774 12.388 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.618 -7.975 13.489 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.157 -6.654 12.515 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.225 -7.373 14.609 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.799 -8.751 13.567 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.800 -8.369 14.989 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.884 -5.281 14.536 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.372 -6.140 14.910 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.488 -5.145 13.440 1.00 0.00 H new ATOM 490 N THR A 31 -1.469 -8.703 10.146 1.00 0.00 N ATOM 491 CA THR A 31 -0.308 -9.426 9.656 1.00 0.00 C ATOM 492 C THR A 31 0.511 -8.544 8.713 1.00 0.00 C ATOM 493 O THR A 31 0.370 -7.321 8.721 1.00 0.00 O ATOM 494 CB THR A 31 -0.798 -10.721 9.004 1.00 0.00 C ATOM 495 OG1 THR A 31 -1.533 -10.280 7.867 1.00 0.00 O ATOM 496 CG2 THR A 31 -1.835 -11.450 9.859 1.00 0.00 C ATOM 0 H THR A 31 -2.347 -8.945 9.687 1.00 0.00 H new ATOM 0 HA THR A 31 0.366 -9.690 10.471 1.00 0.00 H new ATOM 0 HB THR A 31 0.051 -11.380 8.823 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.886 -11.056 7.384 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.149 -12.362 9.351 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.397 -11.705 10.824 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.699 -10.804 10.013 1.00 0.00 H new ATOM 504 N ILE A 32 1.351 -9.196 7.922 1.00 0.00 N ATOM 505 CA ILE A 32 2.193 -8.486 6.975 1.00 0.00 C ATOM 506 C ILE A 32 1.523 -8.490 5.600 1.00 0.00 C ATOM 507 O ILE A 32 0.847 -9.453 5.237 1.00 0.00 O ATOM 508 CB ILE A 32 3.607 -9.071 6.971 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.590 -8.131 7.673 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.056 -9.411 5.549 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.255 -7.998 9.160 1.00 0.00 C ATOM 0 H ILE A 32 1.466 -10.209 7.918 1.00 0.00 H new ATOM 0 HA ILE A 32 2.305 -7.443 7.273 1.00 0.00 H new ATOM 0 HB ILE A 32 3.593 -10.003 7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.606 -8.509 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.560 -7.149 7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.064 -9.825 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.374 -10.144 5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.050 -8.507 4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.969 -7.325 9.635 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.248 -7.597 9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.310 -8.978 9.634 1.00 0.00 H new ATOM 523 N PRO A 33 1.731 -7.403 4.871 1.00 0.00 N ATOM 524 CA PRO A 33 0.984 -7.177 3.592 1.00 0.00 C ATOM 525 C PRO A 33 1.174 -8.159 2.386 1.00 0.00 C ATOM 526 O PRO A 33 2.143 -8.917 2.343 1.00 0.00 O ATOM 527 CB PRO A 33 1.369 -5.722 3.239 1.00 0.00 C ATOM 528 CG PRO A 33 2.729 -5.479 3.893 1.00 0.00 C ATOM 529 CD PRO A 33 2.684 -6.305 5.177 1.00 0.00 C ATOM 0 HA PRO A 33 -0.073 -7.376 3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.424 -5.583 2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.624 -5.019 3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.545 -5.797 3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.885 -4.421 4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.669 -6.693 5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.345 -5.708 6.023 1.00 0.00 H new ATOM 537 N VAL A 34 0.230 -8.096 1.458 1.00 0.00 N ATOM 538 CA VAL A 34 0.276 -8.950 0.284 1.00 0.00 C ATOM 539 C VAL A 34 0.686 -8.115 -0.932 1.00 0.00 C ATOM 540 O VAL A 34 1.452 -8.576 -1.777 1.00 0.00 O ATOM 541 CB VAL A 34 -1.067 -9.658 0.097 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.248 -10.770 1.132 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.225 -8.661 0.155 1.00 0.00 C ATOM 0 H VAL A 34 -0.571 -7.466 1.496 1.00 0.00 H new ATOM 0 HA VAL A 34 1.025 -9.732 0.410 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.070 -10.117 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.210 -11.258 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.448 -11.503 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.214 -10.343 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.168 -9.190 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.226 -8.160 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.108 -7.920 -0.636 1.00 0.00 H new ATOM 553 N LYS A 35 0.156 -6.902 -0.981 1.00 0.00 N ATOM 554 CA LYS A 35 0.457 -5.998 -2.079 1.00 0.00 C ATOM 555 C LYS A 35 0.256 -4.554 -1.614 1.00 0.00 C ATOM 556 O LYS A 35 -0.573 -4.287 -0.748 1.00 0.00 O ATOM 557 CB LYS A 35 -0.365 -6.367 -3.316 1.00 0.00 C ATOM 558 CG LYS A 35 -0.048 -5.430 -4.484 1.00 0.00 C ATOM 559 CD LYS A 35 -1.154 -4.390 -4.669 1.00 0.00 C ATOM 560 CE LYS A 35 -1.128 -3.809 -6.085 1.00 0.00 C ATOM 561 NZ LYS A 35 -2.179 -4.433 -6.920 1.00 0.00 N ATOM 0 H LYS A 35 -0.480 -6.524 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 35 1.501 -6.094 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.154 -7.397 -3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.428 -6.313 -3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.902 -4.927 -4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.067 -6.010 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.125 -4.848 -4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.030 -3.589 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.280 -2.730 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.150 -3.977 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.148 -4.028 -7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.017 -5.459 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.112 -4.251 -6.497 1.00 0.00 H new ATOM 575 N ARG A 36 1.031 -3.661 -2.214 1.00 0.00 N ATOM 576 CA ARG A 36 0.949 -2.251 -1.873 1.00 0.00 C ATOM 577 C ARG A 36 1.459 -1.394 -3.033 1.00 0.00 C ATOM 578 O ARG A 36 2.044 -1.913 -3.982 1.00 0.00 O ATOM 579 CB ARG A 36 1.768 -1.939 -0.619 1.00 0.00 C ATOM 580 CG ARG A 36 3.212 -2.420 -0.774 1.00 0.00 C ATOM 581 CD ARG A 36 3.997 -1.502 -1.713 1.00 0.00 C ATOM 582 NE ARG A 36 4.302 -2.211 -2.976 1.00 0.00 N ATOM 583 CZ ARG A 36 4.643 -1.598 -4.118 1.00 0.00 C ATOM 584 NH1 ARG A 36 4.726 -0.261 -4.162 1.00 0.00 N ATOM 585 NH2 ARG A 36 4.901 -2.322 -5.216 1.00 0.00 N ATOM 0 H ARG A 36 1.718 -3.887 -2.933 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.098 -2.018 -1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.757 -0.865 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.312 -2.419 0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.697 -2.448 0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.220 -3.438 -1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.419 -0.602 -1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.922 -1.182 -1.233 1.00 0.00 H new ATOM 0 HE ARG A 36 4.249 -3.230 -2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.530 0.290 -3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.986 0.206 -5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.838 -3.339 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.161 -1.855 -6.085 1.00 0.00 H new ATOM 599 N GLY A 37 1.217 -0.096 -2.918 1.00 0.00 N ATOM 600 CA GLY A 37 1.644 0.838 -3.947 1.00 0.00 C ATOM 601 C GLY A 37 1.101 2.242 -3.673 1.00 0.00 C ATOM 602 O GLY A 37 0.573 2.506 -2.593 1.00 0.00 O ATOM 0 H GLY A 37 0.731 0.331 -2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.733 0.867 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.298 0.494 -4.922 1.00 0.00 H new ATOM 606 N CYS A 38 1.247 3.103 -4.667 1.00 0.00 N ATOM 607 CA CYS A 38 0.777 4.473 -4.547 1.00 0.00 C ATOM 608 C CYS A 38 -0.604 4.566 -5.198 1.00 0.00 C ATOM 609 O CYS A 38 -1.013 3.662 -5.924 1.00 0.00 O ATOM 610 CB CYS A 38 1.766 5.466 -5.162 1.00 0.00 C ATOM 611 SG CYS A 38 3.525 5.135 -4.781 1.00 0.00 S ATOM 0 H CYS A 38 1.685 2.879 -5.561 1.00 0.00 H new ATOM 0 HA CYS A 38 0.700 4.743 -3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.637 5.463 -6.244 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.516 6.468 -4.814 1.00 0.00 H new ATOM 616 N ILE A 39 -1.284 5.667 -4.912 1.00 0.00 N ATOM 617 CA ILE A 39 -2.611 5.889 -5.460 1.00 0.00 C ATOM 618 C ILE A 39 -2.995 7.358 -5.275 1.00 0.00 C ATOM 619 O ILE A 39 -2.263 8.121 -4.646 1.00 0.00 O ATOM 620 CB ILE A 39 -3.615 4.909 -4.849 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.881 4.815 -5.703 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.929 5.279 -3.398 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.400 3.377 -5.758 1.00 0.00 C ATOM 0 H ILE A 39 -0.941 6.414 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.619 5.689 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.160 3.918 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.651 5.468 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.670 5.168 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.645 4.567 -2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.012 5.252 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.354 6.282 -3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.300 3.338 -6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.637 2.731 -6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.633 3.035 -4.749 1.00 0.00 H new ATOM 635 N ASP A 40 -4.145 7.711 -5.833 1.00 0.00 N ATOM 636 CA ASP A 40 -4.635 9.075 -5.736 1.00 0.00 C ATOM 637 C ASP A 40 -5.843 9.114 -4.797 1.00 0.00 C ATOM 638 O ASP A 40 -5.975 10.030 -3.989 1.00 0.00 O ATOM 639 CB ASP A 40 -5.082 9.598 -7.103 1.00 0.00 C ATOM 640 CG ASP A 40 -5.967 8.641 -7.903 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.464 7.547 -8.236 1.00 0.00 O ATOM 642 OD2 ASP A 40 -7.128 9.026 -8.163 1.00 0.00 O ATOM 0 H ASP A 40 -4.750 7.076 -6.353 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.824 9.698 -5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.622 10.534 -6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.196 9.830 -7.694 1.00 0.00 H new ATOM 647 N VAL A 41 -6.691 8.107 -4.937 1.00 0.00 N ATOM 648 CA VAL A 41 -7.884 8.014 -4.111 1.00 0.00 C ATOM 649 C VAL A 41 -8.023 6.585 -3.583 1.00 0.00 C ATOM 650 O VAL A 41 -7.959 5.626 -4.351 1.00 0.00 O ATOM 651 CB VAL A 41 -9.107 8.480 -4.903 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.457 7.483 -6.009 1.00 0.00 C ATOM 653 CG2 VAL A 41 -10.303 8.715 -3.978 1.00 0.00 C ATOM 0 H VAL A 41 -6.577 7.348 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.803 8.674 -3.247 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.857 9.430 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.330 7.839 -6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.614 7.388 -6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.677 6.511 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -11.159 9.046 -4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.553 7.787 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.050 9.480 -3.244 1.00 0.00 H new ATOM 663 N CYS A 42 -8.211 6.487 -2.275 1.00 0.00 N ATOM 664 CA CYS A 42 -8.361 5.191 -1.636 1.00 0.00 C ATOM 665 C CYS A 42 -9.637 4.537 -2.166 1.00 0.00 C ATOM 666 O CYS A 42 -10.731 5.072 -1.995 1.00 0.00 O ATOM 667 CB CYS A 42 -8.372 5.310 -0.110 1.00 0.00 C ATOM 668 SG CYS A 42 -7.962 3.767 0.784 1.00 0.00 S ATOM 0 H CYS A 42 -8.263 7.284 -1.641 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.505 4.562 -1.880 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.663 6.083 0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.360 5.645 0.207 1.00 0.00 H new ATOM 673 N PRO A 43 -9.456 3.388 -2.802 1.00 0.00 N ATOM 674 CA PRO A 43 -10.608 2.473 -3.087 1.00 0.00 C ATOM 675 C PRO A 43 -11.418 1.839 -1.905 1.00 0.00 C ATOM 676 O PRO A 43 -11.031 1.964 -0.744 1.00 0.00 O ATOM 677 CB PRO A 43 -9.964 1.407 -4.003 1.00 0.00 C ATOM 678 CG PRO A 43 -8.638 2.006 -4.474 1.00 0.00 C ATOM 679 CD PRO A 43 -8.176 2.872 -3.303 1.00 0.00 C ATOM 0 HA PRO A 43 -11.420 3.061 -3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.801 0.474 -3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.611 1.177 -4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.910 1.228 -4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.769 2.599 -5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.643 2.293 -2.549 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.507 3.672 -3.622 1.00 0.00 H new ATOM 687 N LYS A 44 -12.514 1.186 -2.265 1.00 0.00 N ATOM 688 CA LYS A 44 -13.364 0.549 -1.273 1.00 0.00 C ATOM 689 C LYS A 44 -12.691 -0.733 -0.780 1.00 0.00 C ATOM 690 O LYS A 44 -12.326 -1.595 -1.578 1.00 0.00 O ATOM 691 CB LYS A 44 -14.770 0.327 -1.837 1.00 0.00 C ATOM 692 CG LYS A 44 -15.302 1.599 -2.500 1.00 0.00 C ATOM 693 CD LYS A 44 -16.387 1.269 -3.526 1.00 0.00 C ATOM 694 CE LYS A 44 -15.773 0.928 -4.885 1.00 0.00 C ATOM 695 NZ LYS A 44 -16.820 0.486 -5.831 1.00 0.00 N ATOM 0 H LYS A 44 -12.832 1.084 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.491 1.197 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.750 -0.485 -2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.443 0.021 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.706 2.268 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.484 2.129 -2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.984 0.428 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.063 2.118 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.257 1.800 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.027 0.142 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.386 0.259 -6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.294 -0.359 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.517 1.247 -5.957 1.00 0.00 H new ATOM 709 N ASN A 45 -12.545 -0.819 0.535 1.00 0.00 N ATOM 710 CA ASN A 45 -11.921 -1.980 1.145 1.00 0.00 C ATOM 711 C ASN A 45 -12.906 -3.152 1.125 1.00 0.00 C ATOM 712 O ASN A 45 -14.100 -2.960 0.895 1.00 0.00 O ATOM 713 CB ASN A 45 -11.547 -1.703 2.602 1.00 0.00 C ATOM 714 CG ASN A 45 -10.913 -2.936 3.250 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.283 -3.755 2.601 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.114 -3.021 4.562 1.00 0.00 N ATOM 0 H ASN A 45 -12.849 -0.103 1.194 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.019 -2.214 0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.852 -0.865 2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.437 -1.411 3.160 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.731 -3.807 5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.651 -2.300 5.043 1.00 0.00 H new ATOM 723 N SER A 46 -12.370 -4.338 1.368 1.00 0.00 N ATOM 724 CA SER A 46 -13.186 -5.540 1.381 1.00 0.00 C ATOM 725 C SER A 46 -13.107 -6.212 2.754 1.00 0.00 C ATOM 726 O SER A 46 -12.508 -5.668 3.681 1.00 0.00 O ATOM 727 CB SER A 46 -12.747 -6.516 0.287 1.00 0.00 C ATOM 728 OG SER A 46 -11.428 -7.008 0.509 1.00 0.00 O ATOM 0 H SER A 46 -11.380 -4.493 1.558 1.00 0.00 H new ATOM 0 HA SER A 46 -14.219 -5.254 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.444 -7.353 0.247 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.790 -6.018 -0.682 1.00 0.00 H new ATOM 0 HG SER A 46 -11.185 -7.629 -0.209 1.00 0.00 H new ATOM 734 N LEU A 47 -13.721 -7.383 2.840 1.00 0.00 N ATOM 735 CA LEU A 47 -13.727 -8.134 4.085 1.00 0.00 C ATOM 736 C LEU A 47 -12.588 -9.154 4.065 1.00 0.00 C ATOM 737 O LEU A 47 -12.127 -9.597 5.117 1.00 0.00 O ATOM 738 CB LEU A 47 -15.105 -8.754 4.327 1.00 0.00 C ATOM 739 CG LEU A 47 -15.111 -10.125 5.008 1.00 0.00 C ATOM 740 CD1 LEU A 47 -14.889 -9.990 6.516 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.396 -10.890 4.684 1.00 0.00 C ATOM 0 H LEU A 47 -14.217 -7.830 2.069 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.547 -7.472 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.690 -8.065 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.615 -8.844 3.368 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.279 -10.708 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.898 -10.979 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.927 -9.513 6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.684 -9.382 6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.376 -11.861 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.257 -10.321 5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.472 -11.034 3.606 1.00 0.00 H new ATOM 753 N LEU A 48 -12.166 -9.500 2.858 1.00 0.00 N ATOM 754 CA LEU A 48 -11.088 -10.461 2.688 1.00 0.00 C ATOM 755 C LEU A 48 -9.745 -9.736 2.784 1.00 0.00 C ATOM 756 O LEU A 48 -8.805 -10.240 3.397 1.00 0.00 O ATOM 757 CB LEU A 48 -11.271 -11.246 1.389 1.00 0.00 C ATOM 758 CG LEU A 48 -10.823 -12.709 1.419 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.334 -12.819 1.755 1.00 0.00 C ATOM 760 CD2 LEU A 48 -11.689 -13.528 2.379 1.00 0.00 C ATOM 0 H LEU A 48 -12.551 -9.132 1.988 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.108 -11.202 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.326 -11.215 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.721 -10.735 0.599 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.961 -13.129 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.041 -13.869 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.751 -12.290 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.148 -12.376 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.350 -14.564 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.606 -13.117 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.729 -13.488 2.055 1.00 0.00 H new ATOM 772 N VAL A 49 -9.696 -8.562 2.170 1.00 0.00 N ATOM 773 CA VAL A 49 -8.482 -7.763 2.178 1.00 0.00 C ATOM 774 C VAL A 49 -8.731 -6.476 2.968 1.00 0.00 C ATOM 775 O VAL A 49 -9.878 -6.116 3.229 1.00 0.00 O ATOM 776 CB VAL A 49 -8.015 -7.505 0.745 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.536 -7.117 0.711 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.284 -8.719 -0.147 1.00 0.00 C ATOM 0 H VAL A 49 -10.477 -8.145 1.664 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.674 -8.299 2.676 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.590 -6.667 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.230 -6.939 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.384 -6.210 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.938 -7.925 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.942 -8.509 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.748 -9.584 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.353 -8.930 -0.161 1.00 0.00 H new ATOM 788 N LYS A 50 -7.638 -5.818 3.324 1.00 0.00 N ATOM 789 CA LYS A 50 -7.722 -4.579 4.078 1.00 0.00 C ATOM 790 C LYS A 50 -6.915 -3.494 3.361 1.00 0.00 C ATOM 791 O LYS A 50 -5.707 -3.634 3.179 1.00 0.00 O ATOM 792 CB LYS A 50 -7.295 -4.805 5.530 1.00 0.00 C ATOM 793 CG LYS A 50 -8.004 -3.826 6.468 1.00 0.00 C ATOM 794 CD LYS A 50 -7.179 -2.551 6.656 1.00 0.00 C ATOM 795 CE LYS A 50 -7.291 -2.031 8.090 1.00 0.00 C ATOM 796 NZ LYS A 50 -8.107 -0.797 8.132 1.00 0.00 N ATOM 0 H LYS A 50 -6.689 -6.120 3.104 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.754 -4.231 4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.525 -5.829 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.216 -4.682 5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.984 -3.573 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.172 -4.300 7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.134 -2.752 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.523 -1.786 5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.741 -2.794 8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.297 -1.830 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.173 -0.458 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.661 -0.066 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.061 -0.999 7.771 1.00 0.00 H new ATOM 810 N TYR A 51 -7.616 -2.440 2.973 1.00 0.00 N ATOM 811 CA TYR A 51 -6.980 -1.332 2.280 1.00 0.00 C ATOM 812 C TYR A 51 -6.525 -0.256 3.268 1.00 0.00 C ATOM 813 O TYR A 51 -7.351 0.428 3.871 1.00 0.00 O ATOM 814 CB TYR A 51 -8.048 -0.742 1.358 1.00 0.00 C ATOM 815 CG TYR A 51 -8.166 -1.452 0.008 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.285 -2.826 -0.041 1.00 0.00 C ATOM 817 CD2 TYR A 51 -8.154 -0.719 -1.161 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.397 -3.495 -1.311 1.00 0.00 C ATOM 819 CE2 TYR A 51 -8.265 -1.387 -2.432 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.381 -2.743 -2.444 1.00 0.00 C ATOM 821 OH TYR A 51 -8.485 -3.374 -3.644 1.00 0.00 O ATOM 0 H TYR A 51 -8.618 -2.329 3.125 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.100 -1.675 1.735 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.013 -0.783 1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.823 0.310 1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.294 -3.400 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.061 0.356 -1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.492 -4.570 -1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.256 -0.825 -3.354 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.460 -2.711 -4.365 1.00 0.00 H new ATOM 831 N VAL A 52 -5.212 -0.138 3.402 1.00 0.00 N ATOM 832 CA VAL A 52 -4.637 0.843 4.307 1.00 0.00 C ATOM 833 C VAL A 52 -3.952 1.942 3.491 1.00 0.00 C ATOM 834 O VAL A 52 -2.832 1.762 3.017 1.00 0.00 O ATOM 835 CB VAL A 52 -3.693 0.155 5.294 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.303 1.102 6.430 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.314 -1.131 5.841 1.00 0.00 C ATOM 0 H VAL A 52 -4.530 -0.706 2.899 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.417 1.317 4.902 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.784 -0.115 4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.631 0.588 7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.800 1.977 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.199 1.417 6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.622 -1.600 6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.246 -0.895 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.518 -1.816 5.018 1.00 0.00 H new ATOM 847 N CYS A 53 -4.654 3.057 3.353 1.00 0.00 N ATOM 848 CA CYS A 53 -4.130 4.185 2.602 1.00 0.00 C ATOM 849 C CYS A 53 -3.538 5.187 3.595 1.00 0.00 C ATOM 850 O CYS A 53 -3.976 5.262 4.742 1.00 0.00 O ATOM 851 CB CYS A 53 -5.200 4.822 1.716 1.00 0.00 C ATOM 852 SG CYS A 53 -5.891 3.717 0.431 1.00 0.00 S ATOM 0 H CYS A 53 -5.582 3.203 3.749 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.349 3.843 1.923 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.015 5.173 2.350 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.774 5.699 1.230 1.00 0.00 H new ATOM 857 N CYS A 54 -2.554 5.935 3.117 1.00 0.00 N ATOM 858 CA CYS A 54 -1.898 6.930 3.949 1.00 0.00 C ATOM 859 C CYS A 54 -1.316 8.011 3.036 1.00 0.00 C ATOM 860 O CYS A 54 -1.280 7.845 1.817 1.00 0.00 O ATOM 861 CB CYS A 54 -0.829 6.303 4.846 1.00 0.00 C ATOM 862 SG CYS A 54 -0.194 4.688 4.268 1.00 0.00 S ATOM 0 H CYS A 54 -2.195 5.872 2.164 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.626 7.380 4.625 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.007 6.997 4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.242 6.178 5.847 1.00 0.00 H new ATOM 867 N ASN A 55 -0.875 9.093 3.659 1.00 0.00 N ATOM 868 CA ASN A 55 -0.294 10.200 2.918 1.00 0.00 C ATOM 869 C ASN A 55 1.027 10.609 3.570 1.00 0.00 C ATOM 870 O ASN A 55 1.444 11.761 3.467 1.00 0.00 O ATOM 871 CB ASN A 55 -1.223 11.416 2.929 1.00 0.00 C ATOM 872 CG ASN A 55 -1.220 12.095 4.300 1.00 0.00 C ATOM 873 OD1 ASN A 55 -1.338 11.463 5.336 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.078 13.417 4.248 1.00 0.00 N ATOM 0 H ASN A 55 -0.908 9.227 4.670 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.138 9.873 1.890 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.906 12.127 2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.237 11.106 2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.063 13.963 5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.984 13.885 3.346 1.00 0.00 H new ATOM 881 N THR A 56 1.650 9.640 4.227 1.00 0.00 N ATOM 882 CA THR A 56 2.917 9.886 4.896 1.00 0.00 C ATOM 883 C THR A 56 4.045 9.125 4.196 1.00 0.00 C ATOM 884 O THR A 56 3.855 7.991 3.758 1.00 0.00 O ATOM 885 CB THR A 56 2.753 9.509 6.370 1.00 0.00 C ATOM 886 OG1 THR A 56 2.058 8.266 6.336 1.00 0.00 O ATOM 887 CG2 THR A 56 1.801 10.449 7.112 1.00 0.00 C ATOM 0 H THR A 56 1.301 8.685 4.310 1.00 0.00 H new ATOM 0 HA THR A 56 3.195 10.939 4.843 1.00 0.00 H new ATOM 0 HB THR A 56 3.728 9.520 6.858 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.911 7.948 7.251 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.720 10.137 8.153 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.187 11.467 7.067 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.817 10.413 6.645 1.00 0.00 H new ATOM 895 N ASP A 57 5.194 9.780 4.112 1.00 0.00 N ATOM 896 CA ASP A 57 6.352 9.180 3.473 1.00 0.00 C ATOM 897 C ASP A 57 6.786 7.946 4.267 1.00 0.00 C ATOM 898 O ASP A 57 7.002 8.025 5.476 1.00 0.00 O ATOM 899 CB ASP A 57 7.530 10.157 3.438 1.00 0.00 C ATOM 900 CG ASP A 57 7.212 11.532 2.846 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.018 11.588 1.613 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.170 12.495 3.641 1.00 0.00 O ATOM 0 H ASP A 57 5.347 10.720 4.476 1.00 0.00 H new ATOM 0 HA ASP A 57 6.073 8.913 2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.901 10.292 4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.338 9.708 2.861 1.00 0.00 H new ATOM 907 N ARG A 58 6.900 6.834 3.556 1.00 0.00 N ATOM 908 CA ARG A 58 7.304 5.585 4.179 1.00 0.00 C ATOM 909 C ARG A 58 6.219 5.098 5.143 1.00 0.00 C ATOM 910 O ARG A 58 6.524 4.526 6.187 1.00 0.00 O ATOM 911 CB ARG A 58 8.619 5.750 4.944 1.00 0.00 C ATOM 912 CG ARG A 58 9.533 6.762 4.249 1.00 0.00 C ATOM 913 CD ARG A 58 10.959 6.677 4.796 1.00 0.00 C ATOM 914 NE ARG A 58 11.065 7.442 6.059 1.00 0.00 N ATOM 915 CZ ARG A 58 12.224 7.828 6.607 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.383 7.525 6.009 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.223 8.519 7.756 1.00 0.00 N ATOM 0 H ARG A 58 6.720 6.772 2.554 1.00 0.00 H new ATOM 0 HA ARG A 58 7.448 4.851 3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.413 6.080 5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.125 4.787 5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.540 6.574 3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.143 7.770 4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.229 5.635 4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.662 7.071 4.063 1.00 0.00 H new ATOM 0 HE ARG A 58 10.201 7.690 6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.384 6.999 5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.265 7.820 6.428 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.340 8.750 8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.105 8.814 8.175 1.00 0.00 H new ATOM 931 N CYS A 59 4.976 5.344 4.757 1.00 0.00 N ATOM 932 CA CYS A 59 3.844 4.937 5.573 1.00 0.00 C ATOM 933 C CYS A 59 3.653 3.427 5.411 1.00 0.00 C ATOM 934 O CYS A 59 3.122 2.767 6.302 1.00 0.00 O ATOM 935 CB CYS A 59 2.578 5.716 5.212 1.00 0.00 C ATOM 936 SG CYS A 59 1.684 5.088 3.744 1.00 0.00 S ATOM 0 H CYS A 59 4.727 5.820 3.890 1.00 0.00 H new ATOM 0 HA CYS A 59 4.045 5.166 6.620 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.902 5.699 6.067 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.846 6.758 5.038 1.00 0.00 H new ATOM 941 N ASN A 60 4.095 2.927 4.266 1.00 0.00 N ATOM 942 CA ASN A 60 3.978 1.509 3.976 1.00 0.00 C ATOM 943 C ASN A 60 5.346 0.843 4.145 1.00 0.00 C ATOM 944 O ASN A 60 6.121 1.223 5.022 1.00 0.00 O ATOM 945 CB ASN A 60 3.515 1.277 2.537 1.00 0.00 C ATOM 946 CG ASN A 60 4.552 1.794 1.537 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.631 2.237 1.896 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.165 1.714 0.267 1.00 0.00 N ATOM 0 H ASN A 60 4.534 3.479 3.529 1.00 0.00 H new ATOM 0 HA ASN A 60 3.246 1.084 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.345 0.213 2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.563 1.781 2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.786 2.034 -0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.248 1.332 0.036 1.00 0.00 H new TER 955 ASN A 60