USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 706 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 59 LYS NZ :NH3+ -134:sc= 1.66 (180deg=-2.83!) USER MOD Set 1.2: A 63 TYR OH : rot 13:sc= -0.506 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -170:sc= 0.18 (180deg=0) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0.174 USER MOD Single : A 3 THR OG1 : rot 25:sc= 0.156 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00249 USER MOD Single : A 7 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 14 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -33:sc= 0.0823 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= -0.0812 (180deg=-0.507) USER MOD Single : A 24 ASN : amide:sc= -0.894 X(o=-0.89,f=-0.97) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.4 USER MOD Single : A 33 GLN : amide:sc= -1.81 X(o=-1.8,f=-1.6!) USER MOD Single : A 34 HIS : no HE2:sc= 0.142 K(o=0.14,f=-0.75) USER MOD Single : A 41 HIS : no HD1:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.041) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -3.39 K(o=-3.4,f=-6.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= -1.33 (180deg=-1.47!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0435 USER MOD Single : A 60 CYS SG : rot 70:sc= -4.47! USER MOD Single : A 62 GLN : amide:sc= -1.8 X(o=-1.8,f=-2.2) USER MOD Single : A 69 LYS NZ :NH3+ -113:sc= -1.94 (180deg=-5.82!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -27:sc= -2.41! USER MOD Single : B 175 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 16.005 -12.340 -1.210 1.00 1.00 N ATOM 2 CA THR A 3 15.482 -11.120 -1.824 1.00 1.00 C ATOM 3 C THR A 3 15.722 -9.922 -0.921 1.00 1.00 C ATOM 4 O THR A 3 15.486 -9.982 0.286 1.00 1.00 O ATOM 5 CB THR A 3 13.983 -11.270 -2.092 1.00 1.00 C ATOM 6 OG1 THR A 3 13.755 -12.450 -2.858 1.00 1.00 O ATOM 7 CG2 THR A 3 13.475 -10.050 -2.862 1.00 1.00 C ATOM 0 HA THR A 3 16.004 -10.958 -2.767 1.00 1.00 H new ATOM 0 HB THR A 3 13.449 -11.344 -1.144 1.00 1.00 H new ATOM 0 HG1 THR A 3 14.488 -13.083 -2.709 1.00 1.00 H new ATOM 0 HG21 THR A 3 12.407 -10.158 -3.052 1.00 1.00 H new ATOM 0 HG22 THR A 3 13.649 -9.150 -2.273 1.00 1.00 H new ATOM 0 HG23 THR A 3 14.006 -9.971 -3.811 1.00 1.00 H new ATOM 15 N SER A 4 16.189 -8.828 -1.513 1.00 1.00 N ATOM 16 CA SER A 4 16.458 -7.612 -0.752 1.00 1.00 C ATOM 17 C SER A 4 15.166 -7.062 -0.156 1.00 1.00 C ATOM 18 O SER A 4 14.079 -7.285 -0.690 1.00 1.00 O ATOM 19 CB SER A 4 17.095 -6.557 -1.658 1.00 1.00 C ATOM 20 OG SER A 4 18.450 -6.909 -1.905 1.00 1.00 O ATOM 0 H SER A 4 16.388 -8.757 -2.511 1.00 1.00 H new ATOM 0 HA SER A 4 17.146 -7.855 0.057 1.00 1.00 H new ATOM 0 HB2 SER A 4 16.547 -6.489 -2.598 1.00 1.00 H new ATOM 0 HB3 SER A 4 17.042 -5.576 -1.187 1.00 1.00 H new ATOM 0 HG SER A 4 18.862 -6.236 -2.487 1.00 1.00 H new ATOM 26 N THR A 5 15.291 -6.353 0.961 1.00 1.00 N ATOM 27 CA THR A 5 14.125 -5.789 1.626 1.00 1.00 C ATOM 28 C THR A 5 13.412 -4.809 0.704 1.00 1.00 C ATOM 29 O THR A 5 12.183 -4.820 0.603 1.00 1.00 O ATOM 30 CB THR A 5 14.552 -5.059 2.904 1.00 1.00 C ATOM 31 OG1 THR A 5 15.476 -5.868 3.620 1.00 1.00 O ATOM 32 CG2 THR A 5 13.327 -4.797 3.783 1.00 1.00 C ATOM 0 H THR A 5 16.180 -6.157 1.421 1.00 1.00 H new ATOM 0 HA THR A 5 13.446 -6.603 1.880 1.00 1.00 H new ATOM 0 HB THR A 5 15.018 -4.110 2.639 1.00 1.00 H new ATOM 0 HG1 THR A 5 15.753 -5.403 4.437 1.00 1.00 H new ATOM 0 HG21 THR A 5 13.635 -4.278 4.691 1.00 1.00 H new ATOM 0 HG22 THR A 5 12.613 -4.181 3.237 1.00 1.00 H new ATOM 0 HG23 THR A 5 12.860 -5.745 4.048 1.00 1.00 H new ATOM 40 N LEU A 6 14.184 -3.956 0.040 1.00 1.00 N ATOM 41 CA LEU A 6 13.602 -2.976 -0.855 1.00 1.00 C ATOM 42 C LEU A 6 12.938 -3.651 -2.056 1.00 1.00 C ATOM 43 O LEU A 6 11.820 -3.307 -2.450 1.00 1.00 O ATOM 44 CB LEU A 6 14.704 -2.014 -1.355 1.00 1.00 C ATOM 45 CG LEU A 6 14.103 -0.625 -1.625 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.909 -0.756 -2.579 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.640 0.010 -0.289 1.00 1.00 C ATOM 0 H LEU A 6 15.201 -3.926 0.106 1.00 1.00 H new ATOM 0 HA LEU A 6 12.841 -2.422 -0.306 1.00 1.00 H new ATOM 0 HB2 LEU A 6 15.497 -1.938 -0.612 1.00 1.00 H new ATOM 0 HB3 LEU A 6 15.157 -2.407 -2.265 1.00 1.00 H new ATOM 0 HG LEU A 6 14.859 0.013 -2.083 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.485 0.230 -2.769 1.00 1.00 H new ATOM 0 HD12 LEU A 6 13.241 -1.195 -3.520 1.00 1.00 H new ATOM 0 HD13 LEU A 6 12.151 -1.396 -2.128 1.00 1.00 H new ATOM 0 HD21 LEU A 6 13.214 0.995 -0.482 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.886 -0.627 0.174 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.493 0.109 0.382 1.00 1.00 H new ATOM 59 N GLN A 7 13.638 -4.611 -2.636 1.00 1.00 N ATOM 60 CA GLN A 7 13.116 -5.310 -3.795 1.00 1.00 C ATOM 61 C GLN A 7 11.792 -5.990 -3.466 1.00 1.00 C ATOM 62 O GLN A 7 10.826 -5.895 -4.227 1.00 1.00 O ATOM 63 CB GLN A 7 14.129 -6.358 -4.275 1.00 1.00 C ATOM 64 CG GLN A 7 13.568 -7.113 -5.489 1.00 1.00 C ATOM 65 CD GLN A 7 13.245 -6.132 -6.610 1.00 1.00 C ATOM 66 OE1 GLN A 7 14.140 -5.467 -7.133 1.00 1.00 O ATOM 67 NE2 GLN A 7 12.007 -5.986 -6.996 1.00 1.00 N ATOM 0 H GLN A 7 14.559 -4.921 -2.327 1.00 1.00 H new ATOM 0 HA GLN A 7 12.945 -4.580 -4.587 1.00 1.00 H new ATOM 0 HB2 GLN A 7 15.068 -5.873 -4.540 1.00 1.00 H new ATOM 0 HB3 GLN A 7 14.349 -7.059 -3.470 1.00 1.00 H new ATOM 0 HG2 GLN A 7 14.293 -7.849 -5.837 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.670 -7.660 -5.204 1.00 1.00 H new ATOM 0 HE21 GLN A 7 11.268 -6.539 -6.561 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.778 -5.319 -7.733 1.00 1.00 H new ATOM 76 N LYS A 8 11.756 -6.686 -2.337 1.00 1.00 N ATOM 77 CA LYS A 8 10.549 -7.388 -1.931 1.00 1.00 C ATOM 78 C LYS A 8 9.413 -6.400 -1.689 1.00 1.00 C ATOM 79 O LYS A 8 8.277 -6.631 -2.107 1.00 1.00 O ATOM 80 CB LYS A 8 10.820 -8.190 -0.648 1.00 1.00 C ATOM 81 CG LYS A 8 9.860 -9.384 -0.571 1.00 1.00 C ATOM 82 CD LYS A 8 10.221 -10.250 0.628 1.00 1.00 C ATOM 83 CE LYS A 8 9.315 -11.480 0.663 1.00 1.00 C ATOM 84 NZ LYS A 8 9.695 -12.340 1.814 1.00 1.00 N ATOM 0 H LYS A 8 12.541 -6.778 -1.693 1.00 1.00 H new ATOM 0 HA LYS A 8 10.257 -8.069 -2.730 1.00 1.00 H new ATOM 0 HB2 LYS A 8 11.852 -8.540 -0.638 1.00 1.00 H new ATOM 0 HB3 LYS A 8 10.691 -7.551 0.226 1.00 1.00 H new ATOM 0 HG2 LYS A 8 8.832 -9.032 -0.483 1.00 1.00 H new ATOM 0 HG3 LYS A 8 9.919 -9.971 -1.488 1.00 1.00 H new ATOM 0 HD2 LYS A 8 11.265 -10.557 0.567 1.00 1.00 H new ATOM 0 HD3 LYS A 8 10.110 -9.678 1.549 1.00 1.00 H new ATOM 0 HE2 LYS A 8 8.272 -11.175 0.751 1.00 1.00 H new ATOM 0 HE3 LYS A 8 9.406 -12.039 -0.268 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 9.200 -13.252 1.744 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 10.722 -12.502 1.802 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 9.429 -11.869 2.702 1.00 1.00 H new ATOM 98 N ALA A 9 9.726 -5.300 -1.008 1.00 1.00 N ATOM 99 CA ALA A 9 8.719 -4.287 -0.716 1.00 1.00 C ATOM 100 C ALA A 9 8.051 -3.812 -2.008 1.00 1.00 C ATOM 101 O ALA A 9 6.824 -3.676 -2.078 1.00 1.00 O ATOM 102 CB ALA A 9 9.379 -3.097 -0.002 1.00 1.00 C ATOM 0 H ALA A 9 10.659 -5.090 -0.652 1.00 1.00 H new ATOM 0 HA ALA A 9 7.957 -4.722 -0.069 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.626 -2.340 0.216 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.832 -3.437 0.929 1.00 1.00 H new ATOM 0 HB3 ALA A 9 10.148 -2.669 -0.644 1.00 1.00 H new ATOM 108 N ILE A 10 8.868 -3.578 -3.028 1.00 1.00 N ATOM 109 CA ILE A 10 8.357 -3.134 -4.324 1.00 1.00 C ATOM 110 C ILE A 10 7.483 -4.238 -4.934 1.00 1.00 C ATOM 111 O ILE A 10 6.455 -3.988 -5.539 1.00 1.00 O ATOM 112 CB ILE A 10 9.507 -2.795 -5.264 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.252 -1.568 -4.733 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.951 -2.486 -6.658 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.554 -1.386 -5.515 1.00 1.00 C ATOM 0 H ILE A 10 9.881 -3.687 -2.986 1.00 1.00 H new ATOM 0 HA ILE A 10 7.757 -2.236 -4.180 1.00 1.00 H new ATOM 0 HB ILE A 10 10.191 -3.642 -5.323 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.628 -0.679 -4.832 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.467 -1.690 -3.671 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.773 -2.243 -7.332 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.416 -3.356 -7.037 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.269 -1.638 -6.598 1.00 1.00 H new ATOM 0 HD11 ILE A 10 12.086 -0.512 -5.138 1.00 1.00 H new ATOM 0 HD12 ILE A 10 12.178 -2.271 -5.393 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.327 -1.244 -6.572 1.00 1.00 H new ATOM 127 N ASP A 11 7.928 -5.472 -4.813 1.00 1.00 N ATOM 128 CA ASP A 11 7.175 -6.586 -5.376 1.00 1.00 C ATOM 129 C ASP A 11 5.766 -6.638 -4.783 1.00 1.00 C ATOM 130 O ASP A 11 4.783 -6.799 -5.512 1.00 1.00 O ATOM 131 CB ASP A 11 7.899 -7.898 -5.066 1.00 1.00 C ATOM 132 CG ASP A 11 7.333 -9.028 -5.921 1.00 1.00 C ATOM 133 OD1 ASP A 11 6.352 -8.791 -6.603 1.00 1.00 O ATOM 134 OD2 ASP A 11 7.884 -10.110 -5.875 1.00 1.00 O ATOM 0 H ASP A 11 8.793 -5.732 -4.339 1.00 1.00 H new ATOM 0 HA ASP A 11 7.099 -6.446 -6.454 1.00 1.00 H new ATOM 0 HB2 ASP A 11 8.966 -7.787 -5.258 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.789 -8.142 -4.009 1.00 1.00 H new ATOM 139 N LEU A 12 5.673 -6.530 -3.457 1.00 1.00 N ATOM 140 CA LEU A 12 4.385 -6.599 -2.791 1.00 1.00 C ATOM 141 C LEU A 12 3.484 -5.446 -3.204 1.00 1.00 C ATOM 142 O LEU A 12 2.306 -5.647 -3.502 1.00 1.00 O ATOM 143 CB LEU A 12 4.593 -6.537 -1.273 1.00 1.00 C ATOM 144 CG LEU A 12 5.445 -7.731 -0.814 1.00 1.00 C ATOM 145 CD1 LEU A 12 6.019 -7.450 0.580 1.00 1.00 C ATOM 146 CD2 LEU A 12 4.588 -9.001 -0.767 1.00 1.00 C ATOM 0 H LEU A 12 6.469 -6.396 -2.834 1.00 1.00 H new ATOM 0 HA LEU A 12 3.908 -7.536 -3.078 1.00 1.00 H new ATOM 0 HB2 LEU A 12 5.084 -5.603 -1.002 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.629 -6.549 -0.764 1.00 1.00 H new ATOM 0 HG LEU A 12 6.261 -7.876 -1.522 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.623 -8.298 0.903 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.640 -6.555 0.544 1.00 1.00 H new ATOM 0 HD13 LEU A 12 5.202 -7.296 1.286 1.00 1.00 H new ATOM 0 HD21 LEU A 12 5.201 -9.841 -0.441 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.765 -8.859 -0.067 1.00 1.00 H new ATOM 0 HD23 LEU A 12 4.188 -9.207 -1.760 1.00 1.00 H new ATOM 158 N VAL A 13 4.044 -4.246 -3.242 1.00 1.00 N ATOM 159 CA VAL A 13 3.271 -3.073 -3.626 1.00 1.00 C ATOM 160 C VAL A 13 2.816 -3.163 -5.085 1.00 1.00 C ATOM 161 O VAL A 13 1.698 -2.752 -5.436 1.00 1.00 O ATOM 162 CB VAL A 13 4.090 -1.798 -3.395 1.00 1.00 C ATOM 163 CG1 VAL A 13 5.071 -1.594 -4.549 1.00 1.00 C ATOM 164 CG2 VAL A 13 3.148 -0.580 -3.299 1.00 1.00 C ATOM 0 H VAL A 13 5.021 -4.059 -3.014 1.00 1.00 H new ATOM 0 HA VAL A 13 2.379 -3.035 -3.000 1.00 1.00 H new ATOM 0 HB VAL A 13 4.646 -1.899 -2.463 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.650 -0.686 -4.378 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.745 -2.448 -4.609 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.519 -1.502 -5.484 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.736 0.323 -3.135 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.584 -0.482 -4.227 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.457 -0.719 -2.468 1.00 1.00 H new ATOM 174 N THR A 14 3.696 -3.692 -5.934 1.00 1.00 N ATOM 175 CA THR A 14 3.378 -3.832 -7.350 1.00 1.00 C ATOM 176 C THR A 14 2.131 -4.706 -7.503 1.00 1.00 C ATOM 177 O THR A 14 1.177 -4.352 -8.213 1.00 1.00 O ATOM 178 CB THR A 14 4.564 -4.458 -8.087 1.00 1.00 C ATOM 179 OG1 THR A 14 5.683 -3.580 -8.020 1.00 1.00 O ATOM 180 CG2 THR A 14 4.184 -4.711 -9.545 1.00 1.00 C ATOM 0 H THR A 14 4.622 -4.026 -5.669 1.00 1.00 H new ATOM 0 HA THR A 14 3.180 -2.851 -7.782 1.00 1.00 H new ATOM 0 HB THR A 14 4.826 -5.406 -7.618 1.00 1.00 H new ATOM 0 HG1 THR A 14 6.167 -3.730 -7.181 1.00 1.00 H new ATOM 0 HG21 THR A 14 5.029 -5.157 -10.069 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.332 -5.390 -9.586 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.919 -3.767 -10.021 1.00 1.00 H new ATOM 188 N LYS A 15 2.134 -5.843 -6.812 1.00 1.00 N ATOM 189 CA LYS A 15 0.997 -6.737 -6.868 1.00 1.00 C ATOM 190 C LYS A 15 -0.244 -6.008 -6.357 1.00 1.00 C ATOM 191 O LYS A 15 -1.330 -6.148 -6.894 1.00 1.00 O ATOM 192 CB LYS A 15 1.261 -7.969 -6.004 1.00 1.00 C ATOM 193 CG LYS A 15 0.261 -9.091 -6.378 1.00 1.00 C ATOM 194 CD LYS A 15 0.971 -10.150 -7.209 1.00 1.00 C ATOM 195 CE LYS A 15 1.917 -10.980 -6.313 1.00 1.00 C ATOM 196 NZ LYS A 15 2.090 -12.330 -6.897 1.00 1.00 N ATOM 0 H LYS A 15 2.901 -6.158 -6.218 1.00 1.00 H new ATOM 0 HA LYS A 15 0.837 -7.054 -7.899 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.284 -8.316 -6.151 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.159 -7.714 -4.949 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -0.153 -9.540 -5.475 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.576 -8.674 -6.939 1.00 1.00 H new ATOM 0 HD2 LYS A 15 0.238 -10.804 -7.682 1.00 1.00 H new ATOM 0 HD3 LYS A 15 1.539 -9.675 -8.009 1.00 1.00 H new ATOM 0 HE2 LYS A 15 2.883 -10.483 -6.227 1.00 1.00 H new ATOM 0 HE3 LYS A 15 1.507 -11.057 -5.306 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 2.727 -12.890 -6.295 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 1.166 -12.803 -6.958 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 2.499 -12.246 -7.849 1.00 1.00 H new ATOM 210 N ALA A 16 -0.074 -5.231 -5.301 1.00 1.00 N ATOM 211 CA ALA A 16 -1.200 -4.500 -4.726 1.00 1.00 C ATOM 212 C ALA A 16 -1.916 -3.692 -5.800 1.00 1.00 C ATOM 213 O ALA A 16 -3.147 -3.681 -5.865 1.00 1.00 O ATOM 214 CB ALA A 16 -0.693 -3.548 -3.625 1.00 1.00 C ATOM 0 H ALA A 16 0.818 -5.088 -4.827 1.00 1.00 H new ATOM 0 HA ALA A 16 -1.899 -5.219 -4.299 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.536 -3.004 -3.198 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.200 -4.126 -2.843 1.00 1.00 H new ATOM 0 HB3 ALA A 16 0.016 -2.840 -4.054 1.00 1.00 H new ATOM 220 N THR A 17 -1.138 -2.996 -6.621 1.00 1.00 N ATOM 221 CA THR A 17 -1.717 -2.170 -7.665 1.00 1.00 C ATOM 222 C THR A 17 -2.482 -3.011 -8.672 1.00 1.00 C ATOM 223 O THR A 17 -3.555 -2.612 -9.147 1.00 1.00 O ATOM 224 CB THR A 17 -0.612 -1.382 -8.378 1.00 1.00 C ATOM 225 OG1 THR A 17 0.364 -2.290 -8.874 1.00 1.00 O ATOM 226 CG2 THR A 17 0.058 -0.397 -7.403 1.00 1.00 C ATOM 0 H THR A 17 -0.119 -2.988 -6.583 1.00 1.00 H new ATOM 0 HA THR A 17 -2.418 -1.477 -7.200 1.00 1.00 H new ATOM 0 HB THR A 17 -1.052 -0.819 -9.201 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.433 -3.058 -8.270 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.840 0.155 -7.924 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.687 0.302 -7.022 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.496 -0.949 -6.571 1.00 1.00 H new ATOM 234 N GLU A 18 -1.936 -4.176 -8.988 1.00 1.00 N ATOM 235 CA GLU A 18 -2.598 -5.070 -9.931 1.00 1.00 C ATOM 236 C GLU A 18 -3.909 -5.593 -9.324 1.00 1.00 C ATOM 237 O GLU A 18 -4.902 -5.787 -10.030 1.00 1.00 O ATOM 238 CB GLU A 18 -1.647 -6.232 -10.300 1.00 1.00 C ATOM 239 CG GLU A 18 -2.053 -7.517 -9.575 1.00 1.00 C ATOM 240 CD GLU A 18 -1.075 -8.627 -9.855 1.00 1.00 C ATOM 241 OE1 GLU A 18 0.097 -8.332 -9.982 1.00 1.00 O ATOM 242 OE2 GLU A 18 -1.518 -9.757 -9.945 1.00 1.00 O ATOM 0 H GLU A 18 -1.052 -4.522 -8.614 1.00 1.00 H new ATOM 0 HA GLU A 18 -2.843 -4.526 -10.843 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.666 -6.395 -11.378 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.623 -5.968 -10.036 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.102 -7.333 -8.502 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.051 -7.818 -9.893 1.00 1.00 H new ATOM 249 N GLU A 19 -3.879 -5.872 -8.020 1.00 1.00 N ATOM 250 CA GLU A 19 -5.046 -6.399 -7.343 1.00 1.00 C ATOM 251 C GLU A 19 -6.103 -5.315 -7.227 1.00 1.00 C ATOM 252 O GLU A 19 -7.269 -5.533 -7.536 1.00 1.00 O ATOM 253 CB GLU A 19 -4.660 -6.904 -5.949 1.00 1.00 C ATOM 254 CG GLU A 19 -3.903 -8.233 -6.057 1.00 1.00 C ATOM 255 CD GLU A 19 -4.836 -9.326 -6.571 1.00 1.00 C ATOM 256 OE1 GLU A 19 -6.037 -9.162 -6.431 1.00 1.00 O ATOM 257 OE2 GLU A 19 -4.338 -10.300 -7.096 1.00 1.00 O ATOM 0 H GLU A 19 -3.063 -5.740 -7.423 1.00 1.00 H new ATOM 0 HA GLU A 19 -5.448 -7.231 -7.920 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.039 -6.163 -5.445 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -5.555 -7.036 -5.341 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -3.053 -8.123 -6.730 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -3.503 -8.513 -5.082 1.00 1.00 H new ATOM 264 N ASP A 20 -5.680 -4.135 -6.793 1.00 1.00 N ATOM 265 CA ASP A 20 -6.607 -3.020 -6.639 1.00 1.00 C ATOM 266 C ASP A 20 -7.347 -2.769 -7.956 1.00 1.00 C ATOM 267 O ASP A 20 -8.568 -2.607 -7.971 1.00 1.00 O ATOM 268 CB ASP A 20 -5.833 -1.752 -6.234 1.00 1.00 C ATOM 269 CG ASP A 20 -6.638 -0.938 -5.221 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.854 -0.956 -5.318 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.029 -0.329 -4.359 1.00 1.00 O ATOM 0 H ASP A 20 -4.713 -3.926 -6.544 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.331 -3.266 -5.862 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -4.869 -2.028 -5.805 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.628 -1.146 -7.116 1.00 1.00 H new ATOM 276 N LYS A 21 -6.599 -2.752 -9.056 1.00 1.00 N ATOM 277 CA LYS A 21 -7.195 -2.541 -10.370 1.00 1.00 C ATOM 278 C LYS A 21 -8.102 -3.711 -10.720 1.00 1.00 C ATOM 279 O LYS A 21 -9.150 -3.533 -11.350 1.00 1.00 O ATOM 280 CB LYS A 21 -6.110 -2.372 -11.420 1.00 1.00 C ATOM 281 CG LYS A 21 -5.468 -0.987 -11.280 1.00 1.00 C ATOM 282 CD LYS A 21 -4.403 -0.797 -12.380 1.00 1.00 C ATOM 283 CE LYS A 21 -3.056 -1.318 -11.880 1.00 1.00 C ATOM 284 NZ LYS A 21 -2.064 -1.268 -12.980 1.00 1.00 N ATOM 0 H LYS A 21 -5.587 -2.881 -9.063 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.793 -1.630 -10.347 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.353 -3.148 -11.303 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.534 -2.488 -12.417 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -6.230 -0.212 -11.360 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -5.011 -0.885 -10.296 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.699 -1.330 -13.283 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.322 0.257 -12.644 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.712 -0.717 -11.039 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -3.162 -2.341 -11.518 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -1.148 -1.623 -12.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -2.391 -1.860 -13.770 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -1.955 -0.286 -13.305 1.00 1.00 H new ATOM 298 N ALA A 22 -7.696 -4.910 -10.310 1.00 1.00 N ATOM 299 CA ALA A 22 -8.488 -6.103 -10.570 1.00 1.00 C ATOM 300 C ALA A 22 -9.716 -6.124 -9.678 1.00 1.00 C ATOM 301 O ALA A 22 -10.420 -7.122 -9.628 1.00 1.00 O ATOM 302 CB ALA A 22 -7.656 -7.357 -10.310 1.00 1.00 C ATOM 0 H ALA A 22 -6.829 -5.078 -9.800 1.00 1.00 H new ATOM 0 HA ALA A 22 -8.800 -6.086 -11.614 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -8.260 -8.242 -10.508 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -6.785 -7.358 -10.965 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -7.328 -7.367 -9.271 1.00 1.00 H new ATOM 308 N LYS A 23 -9.944 -5.018 -8.969 1.00 1.00 N ATOM 309 CA LYS A 23 -11.080 -4.911 -8.070 1.00 1.00 C ATOM 310 C LYS A 23 -10.900 -5.819 -6.866 1.00 1.00 C ATOM 311 O LYS A 23 -11.890 -6.311 -6.308 1.00 1.00 O ATOM 312 CB LYS A 23 -12.370 -5.285 -8.806 1.00 1.00 C ATOM 313 CG LYS A 23 -12.470 -4.482 -10.100 1.00 1.00 C ATOM 314 CD LYS A 23 -12.530 -2.986 -9.786 1.00 1.00 C ATOM 315 CE LYS A 23 -13.120 -2.231 -10.970 1.00 1.00 C ATOM 316 NZ LYS A 23 -14.580 -2.533 -11.070 1.00 1.00 N ATOM 0 H LYS A 23 -9.354 -4.187 -9.004 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.146 -3.879 -7.725 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.379 -6.352 -9.027 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.234 -5.083 -8.173 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.611 -4.694 -10.736 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.359 -4.781 -10.655 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.137 -2.816 -8.897 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.530 -2.611 -9.566 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.966 -1.159 -10.846 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -12.613 -2.521 -11.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -15.066 -1.744 -11.542 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -14.717 -3.404 -11.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -14.974 -2.661 -10.116 1.00 1.00 H new ATOM 330 N ASN A 24 -9.660 -6.033 -6.455 1.00 1.00 N ATOM 331 CA ASN A 24 -9.372 -6.878 -5.296 1.00 1.00 C ATOM 332 C ASN A 24 -8.917 -6.008 -4.121 1.00 1.00 C ATOM 333 O ASN A 24 -7.762 -6.049 -3.706 1.00 1.00 O ATOM 334 CB ASN A 24 -8.274 -7.895 -5.667 1.00 1.00 C ATOM 335 CG ASN A 24 -8.880 -9.265 -5.923 1.00 1.00 C ATOM 336 OD1 ASN A 24 -9.994 -9.363 -6.429 1.00 1.00 O ATOM 337 ND2 ASN A 24 -8.218 -10.320 -5.566 1.00 1.00 N ATOM 0 H ASN A 24 -8.834 -5.636 -6.903 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.273 -7.417 -5.002 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -7.741 -7.555 -6.555 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -7.543 -7.959 -4.861 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -8.622 -11.246 -5.704 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.293 -10.224 -5.147 1.00 1.00 H new ATOM 344 N TYR A 25 -9.832 -5.221 -3.591 1.00 1.00 N ATOM 345 CA TYR A 25 -9.506 -4.346 -2.472 1.00 1.00 C ATOM 346 C TYR A 25 -8.904 -5.132 -1.327 1.00 1.00 C ATOM 347 O TYR A 25 -7.932 -4.693 -0.732 1.00 1.00 O ATOM 348 CB TYR A 25 -10.770 -3.644 -1.985 1.00 1.00 C ATOM 349 CG TYR A 25 -11.530 -3.095 -3.170 1.00 1.00 C ATOM 350 CD1 TYR A 25 -10.860 -2.457 -4.220 1.00 1.00 C ATOM 351 CD2 TYR A 25 -12.930 -3.230 -3.222 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.570 -1.956 -5.307 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.640 -2.725 -4.321 1.00 1.00 C ATOM 354 CZ TYR A 25 -12.960 -2.090 -5.362 1.00 1.00 C ATOM 355 OH TYR A 25 -13.660 -1.589 -6.442 1.00 1.00 O ATOM 0 H TYR A 25 -10.799 -5.166 -3.910 1.00 1.00 H new ATOM 0 HA TYR A 25 -8.777 -3.612 -2.815 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.396 -4.343 -1.430 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.510 -2.837 -1.301 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -9.786 -2.353 -4.187 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.456 -3.721 -2.417 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.045 -1.462 -6.111 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -14.714 -2.827 -4.362 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.616 -1.767 -6.323 1.00 1.00 H new ATOM 365 N GLU A 26 -9.475 -6.288 -1.028 1.00 1.00 N ATOM 366 CA GLU A 26 -8.962 -7.101 0.071 1.00 1.00 C ATOM 367 C GLU A 26 -7.518 -7.536 -0.170 1.00 1.00 C ATOM 368 O GLU A 26 -6.632 -7.283 0.662 1.00 1.00 O ATOM 369 CB GLU A 26 -9.861 -8.355 0.229 1.00 1.00 C ATOM 370 CG GLU A 26 -10.540 -8.344 1.593 1.00 1.00 C ATOM 371 CD GLU A 26 -9.529 -8.663 2.683 1.00 1.00 C ATOM 372 OE1 GLU A 26 -8.422 -9.045 2.339 1.00 1.00 O ATOM 373 OE2 GLU A 26 -9.872 -8.528 3.845 1.00 1.00 O ATOM 0 H GLU A 26 -10.278 -6.682 -1.518 1.00 1.00 H new ATOM 0 HA GLU A 26 -8.978 -6.498 0.979 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -10.613 -8.375 -0.560 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.261 -9.258 0.120 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -10.988 -7.368 1.777 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -11.349 -9.075 1.611 1.00 1.00 H new ATOM 380 N GLU A 27 -7.285 -8.180 -1.305 1.00 1.00 N ATOM 381 CA GLU A 27 -5.946 -8.650 -1.628 1.00 1.00 C ATOM 382 C GLU A 27 -4.979 -7.468 -1.701 1.00 1.00 C ATOM 383 O GLU A 27 -3.868 -7.519 -1.160 1.00 1.00 O ATOM 384 CB GLU A 27 -5.966 -9.396 -2.973 1.00 1.00 C ATOM 385 CG GLU A 27 -4.857 -10.440 -3.003 1.00 1.00 C ATOM 386 CD GLU A 27 -5.258 -11.640 -2.156 1.00 1.00 C ATOM 387 OE1 GLU A 27 -6.407 -11.700 -1.748 1.00 1.00 O ATOM 388 OE2 GLU A 27 -4.408 -12.490 -1.921 1.00 1.00 O ATOM 0 H GLU A 27 -7.994 -8.387 -2.008 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.611 -9.332 -0.847 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -6.934 -9.876 -3.118 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -5.835 -8.690 -3.793 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.668 -10.754 -4.029 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.929 -10.010 -2.625 1.00 1.00 H new ATOM 395 N ALA A 28 -5.412 -6.405 -2.373 1.00 1.00 N ATOM 396 CA ALA A 28 -4.584 -5.217 -2.511 1.00 1.00 C ATOM 397 C ALA A 28 -4.216 -4.673 -1.137 1.00 1.00 C ATOM 398 O ALA A 28 -3.086 -4.239 -0.920 1.00 1.00 O ATOM 399 CB ALA A 28 -5.333 -4.146 -3.310 1.00 1.00 C ATOM 0 H ALA A 28 -6.324 -6.344 -2.826 1.00 1.00 H new ATOM 0 HA ALA A 28 -3.671 -5.485 -3.043 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -4.706 -3.260 -3.408 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -5.573 -4.532 -4.301 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.254 -3.882 -2.790 1.00 1.00 H new ATOM 405 N LEU A 29 -5.176 -4.687 -0.212 1.00 1.00 N ATOM 406 CA LEU A 29 -4.930 -4.169 1.123 1.00 1.00 C ATOM 407 C LEU A 29 -3.811 -4.929 1.810 1.00 1.00 C ATOM 408 O LEU A 29 -2.920 -4.323 2.411 1.00 1.00 O ATOM 409 CB LEU A 29 -6.225 -4.292 1.958 1.00 1.00 C ATOM 410 CG LEU A 29 -6.517 -2.990 2.696 1.00 1.00 C ATOM 411 CD1 LEU A 29 -7.956 -2.978 3.189 1.00 1.00 C ATOM 412 CD2 LEU A 29 -5.563 -2.854 3.886 1.00 1.00 C ATOM 0 H LEU A 29 -6.118 -5.048 -0.365 1.00 1.00 H new ATOM 0 HA LEU A 29 -4.630 -3.124 1.040 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.062 -4.541 1.306 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -6.125 -5.107 2.675 1.00 1.00 H new ATOM 0 HG LEU A 29 -6.372 -2.153 2.013 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -8.153 -2.043 3.714 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -8.633 -3.066 2.339 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -8.115 -3.816 3.867 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -5.771 -1.924 4.414 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -5.705 -3.696 4.564 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -4.534 -2.846 3.528 1.00 1.00 H new ATOM 424 N ARG A 30 -3.862 -6.252 1.711 1.00 1.00 N ATOM 425 CA ARG A 30 -2.827 -7.078 2.337 1.00 1.00 C ATOM 426 C ARG A 30 -1.454 -6.728 1.756 1.00 1.00 C ATOM 427 O ARG A 30 -0.470 -6.633 2.487 1.00 1.00 O ATOM 428 CB ARG A 30 -3.136 -8.557 2.107 1.00 1.00 C ATOM 429 CG ARG A 30 -4.342 -8.960 2.958 1.00 1.00 C ATOM 430 CD ARG A 30 -4.772 -10.380 2.589 1.00 1.00 C ATOM 431 NE ARG A 30 -3.714 -11.330 2.910 1.00 1.00 N ATOM 432 CZ ARG A 30 -3.686 -12.530 2.357 1.00 1.00 C ATOM 433 NH1 ARG A 30 -4.613 -12.890 1.508 1.00 1.00 N ATOM 434 NH2 ARG A 30 -2.728 -13.370 2.659 1.00 1.00 N ATOM 0 H ARG A 30 -4.589 -6.770 1.217 1.00 1.00 H new ATOM 0 HA ARG A 30 -2.813 -6.882 3.409 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -3.344 -8.737 1.052 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -2.271 -9.166 2.370 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -4.087 -8.909 4.017 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -5.165 -8.265 2.794 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -5.682 -10.643 3.128 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.006 -10.431 1.526 1.00 1.00 H new ATOM 0 HE ARG A 30 -2.984 -11.065 3.571 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -5.364 -12.243 1.269 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -4.585 -13.818 1.085 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -2.002 -13.099 3.322 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -2.708 -14.296 2.231 1.00 1.00 H new ATOM 448 N LEU A 31 -1.381 -6.560 0.440 1.00 1.00 N ATOM 449 CA LEU A 31 -0.124 -6.229 -0.211 1.00 1.00 C ATOM 450 C LEU A 31 0.379 -4.885 0.222 1.00 1.00 C ATOM 451 O LEU A 31 1.574 -4.725 0.469 1.00 1.00 O ATOM 452 CB LEU A 31 -0.343 -6.251 -1.730 1.00 1.00 C ATOM 453 CG LEU A 31 -0.327 -7.697 -2.266 1.00 1.00 C ATOM 454 CD1 LEU A 31 -0.761 -8.697 -1.210 1.00 1.00 C ATOM 455 CD2 LEU A 31 -1.266 -7.825 -3.468 1.00 1.00 C ATOM 0 H LEU A 31 -2.176 -6.648 -0.193 1.00 1.00 H new ATOM 0 HA LEU A 31 0.630 -6.963 0.073 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.296 -5.780 -1.971 1.00 1.00 H new ATOM 0 HB3 LEU A 31 0.435 -5.667 -2.222 1.00 1.00 H new ATOM 0 HG LEU A 31 0.700 -7.917 -2.557 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -0.735 -9.703 -1.629 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -0.085 -8.642 -0.357 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -1.775 -8.465 -0.884 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -1.246 -8.850 -3.838 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -2.281 -7.568 -3.166 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -0.940 -7.148 -4.258 1.00 1.00 H new ATOM 467 N TYR A 32 -0.522 -3.926 0.308 1.00 1.00 N ATOM 468 CA TYR A 32 -0.128 -2.591 0.710 1.00 1.00 C ATOM 469 C TYR A 32 0.487 -2.585 2.101 1.00 1.00 C ATOM 470 O TYR A 32 1.554 -2.003 2.314 1.00 1.00 O ATOM 471 CB TYR A 32 -1.355 -1.660 0.688 1.00 1.00 C ATOM 472 CG TYR A 32 -1.652 -1.219 -0.728 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.682 -0.522 -1.466 1.00 1.00 C ATOM 474 CD2 TYR A 32 -2.894 -1.504 -1.310 1.00 1.00 C ATOM 475 CE1 TYR A 32 -0.953 -0.116 -2.773 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.159 -1.099 -2.621 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.189 -0.407 -3.350 1.00 1.00 C ATOM 478 OH TYR A 32 -2.452 -0.010 -4.642 1.00 1.00 O ATOM 0 H TYR A 32 -1.515 -4.043 0.109 1.00 1.00 H new ATOM 0 HA TYR A 32 0.624 -2.237 0.005 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.220 -2.177 1.105 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.171 -0.789 1.317 1.00 1.00 H new ATOM 0 HD1 TYR A 32 0.276 -0.300 -1.021 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.646 -2.036 -0.746 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.206 0.423 -3.337 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.115 -1.321 -3.071 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.357 -0.291 -4.893 1.00 1.00 H new ATOM 488 N GLN A 33 -0.191 -3.225 3.040 1.00 1.00 N ATOM 489 CA GLN A 33 0.298 -3.276 4.410 1.00 1.00 C ATOM 490 C GLN A 33 1.626 -4.023 4.492 1.00 1.00 C ATOM 491 O GLN A 33 2.571 -3.576 5.156 1.00 1.00 O ATOM 492 CB GLN A 33 -0.736 -3.970 5.304 1.00 1.00 C ATOM 493 CG GLN A 33 -1.983 -3.092 5.424 1.00 1.00 C ATOM 494 CD GLN A 33 -3.034 -3.794 6.279 1.00 1.00 C ATOM 495 OE1 GLN A 33 -2.783 -4.872 6.815 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.205 -3.239 6.443 1.00 1.00 N ATOM 0 H GLN A 33 -1.073 -3.712 2.882 1.00 1.00 H new ATOM 0 HA GLN A 33 0.456 -2.253 4.753 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.001 -4.940 4.885 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -0.313 -4.155 6.291 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -1.721 -2.133 5.870 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -2.388 -2.883 4.434 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.412 -2.345 5.998 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -4.912 -3.700 7.016 1.00 1.00 H new ATOM 505 N HIS A 34 1.697 -5.158 3.812 1.00 1.00 N ATOM 506 CA HIS A 34 2.917 -5.960 3.823 1.00 1.00 C ATOM 507 C HIS A 34 4.080 -5.178 3.213 1.00 1.00 C ATOM 508 O HIS A 34 5.176 -5.114 3.786 1.00 1.00 O ATOM 509 CB HIS A 34 2.686 -7.265 3.032 1.00 1.00 C ATOM 510 CG HIS A 34 2.154 -8.332 3.948 1.00 1.00 C ATOM 511 ND1 HIS A 34 0.888 -8.868 3.803 1.00 1.00 N ATOM 512 CD2 HIS A 34 2.709 -8.959 5.033 1.00 1.00 C ATOM 513 CE1 HIS A 34 0.721 -9.781 4.777 1.00 1.00 C ATOM 514 NE2 HIS A 34 1.802 -9.877 5.556 1.00 1.00 N ATOM 0 H HIS A 34 0.936 -5.543 3.252 1.00 1.00 H new ATOM 0 HA HIS A 34 3.169 -6.202 4.855 1.00 1.00 H new ATOM 0 HB2 HIS A 34 1.982 -7.088 2.219 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.620 -7.596 2.578 1.00 1.00 H new ATOM 0 HD1 HIS A 34 0.205 -8.617 3.088 1.00 1.00 H new ATOM 0 HD2 HIS A 34 3.698 -8.770 5.423 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -0.177 -10.365 4.913 1.00 1.00 H new ATOM 523 N ALA A 35 3.837 -4.587 2.050 1.00 1.00 N ATOM 524 CA ALA A 35 4.869 -3.821 1.367 1.00 1.00 C ATOM 525 C ALA A 35 5.417 -2.729 2.276 1.00 1.00 C ATOM 526 O ALA A 35 6.631 -2.570 2.411 1.00 1.00 O ATOM 527 CB ALA A 35 4.300 -3.196 0.095 1.00 1.00 C ATOM 0 H ALA A 35 2.941 -4.623 1.564 1.00 1.00 H new ATOM 0 HA ALA A 35 5.682 -4.497 1.104 1.00 1.00 H new ATOM 0 HB1 ALA A 35 5.079 -2.625 -0.410 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.940 -3.983 -0.568 1.00 1.00 H new ATOM 0 HB3 ALA A 35 3.474 -2.533 0.353 1.00 1.00 H new ATOM 533 N VAL A 36 4.514 -1.988 2.906 1.00 1.00 N ATOM 534 CA VAL A 36 4.917 -0.914 3.804 1.00 1.00 C ATOM 535 C VAL A 36 5.854 -1.446 4.882 1.00 1.00 C ATOM 536 O VAL A 36 6.850 -0.805 5.224 1.00 1.00 O ATOM 537 CB VAL A 36 3.679 -0.279 4.455 1.00 1.00 C ATOM 538 CG1 VAL A 36 4.118 0.623 5.617 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.922 0.553 3.406 1.00 1.00 C ATOM 0 H VAL A 36 3.506 -2.110 2.813 1.00 1.00 H new ATOM 0 HA VAL A 36 5.444 -0.156 3.224 1.00 1.00 H new ATOM 0 HB VAL A 36 3.023 -1.061 4.837 1.00 1.00 H new ATOM 0 HG11 VAL A 36 3.240 1.074 6.079 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.653 0.028 6.357 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.773 1.408 5.240 1.00 1.00 H new ATOM 0 HG21 VAL A 36 2.043 1.005 3.865 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.575 1.337 3.023 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.611 -0.093 2.585 1.00 1.00 H new ATOM 549 N GLU A 37 5.519 -2.609 5.421 1.00 1.00 N ATOM 550 CA GLU A 37 6.343 -3.206 6.472 1.00 1.00 C ATOM 551 C GLU A 37 7.785 -3.369 5.994 1.00 1.00 C ATOM 552 O GLU A 37 8.726 -2.943 6.669 1.00 1.00 O ATOM 553 CB GLU A 37 5.783 -4.583 6.839 1.00 1.00 C ATOM 554 CG GLU A 37 6.315 -5.004 8.211 1.00 1.00 C ATOM 555 CD GLU A 37 5.708 -6.338 8.622 1.00 1.00 C ATOM 556 OE1 GLU A 37 4.726 -6.732 8.015 1.00 1.00 O ATOM 557 OE2 GLU A 37 6.230 -6.945 9.542 1.00 1.00 O ATOM 0 H GLU A 37 4.698 -3.153 5.157 1.00 1.00 H new ATOM 0 HA GLU A 37 6.327 -2.549 7.342 1.00 1.00 H new ATOM 0 HB2 GLU A 37 4.694 -4.552 6.854 1.00 1.00 H new ATOM 0 HB3 GLU A 37 6.070 -5.316 6.086 1.00 1.00 H new ATOM 0 HG2 GLU A 37 7.402 -5.085 8.179 1.00 1.00 H new ATOM 0 HG3 GLU A 37 6.074 -4.242 8.952 1.00 1.00 H new ATOM 564 N TYR A 38 7.951 -3.973 4.823 1.00 1.00 N ATOM 565 CA TYR A 38 9.292 -4.170 4.268 1.00 1.00 C ATOM 566 C TYR A 38 9.968 -2.825 3.997 1.00 1.00 C ATOM 567 O TYR A 38 11.168 -2.653 4.237 1.00 1.00 O ATOM 568 CB TYR A 38 9.214 -4.982 2.970 1.00 1.00 C ATOM 569 CG TYR A 38 9.063 -6.449 3.293 1.00 1.00 C ATOM 570 CD1 TYR A 38 10.201 -7.229 3.521 1.00 1.00 C ATOM 571 CD2 TYR A 38 7.795 -7.024 3.371 1.00 1.00 C ATOM 572 CE1 TYR A 38 10.067 -8.587 3.823 1.00 1.00 C ATOM 573 CE2 TYR A 38 7.657 -8.381 3.675 1.00 1.00 C ATOM 574 CZ TYR A 38 8.794 -9.165 3.900 1.00 1.00 C ATOM 575 OH TYR A 38 8.660 -10.500 4.197 1.00 1.00 O ATOM 0 H TYR A 38 7.190 -4.331 4.245 1.00 1.00 H new ATOM 0 HA TYR A 38 9.886 -4.719 4.999 1.00 1.00 H new ATOM 0 HB2 TYR A 38 8.370 -4.644 2.369 1.00 1.00 H new ATOM 0 HB3 TYR A 38 10.113 -4.822 2.375 1.00 1.00 H new ATOM 0 HD1 TYR A 38 11.183 -6.782 3.464 1.00 1.00 H new ATOM 0 HD2 TYR A 38 6.918 -6.419 3.196 1.00 1.00 H new ATOM 0 HE1 TYR A 38 10.945 -9.191 3.997 1.00 1.00 H new ATOM 0 HE2 TYR A 38 6.674 -8.824 3.736 1.00 1.00 H new ATOM 0 HH TYR A 38 7.709 -10.738 4.212 1.00 1.00 H new ATOM 585 N PHE A 39 9.194 -1.873 3.498 1.00 1.00 N ATOM 586 CA PHE A 39 9.740 -0.553 3.200 1.00 1.00 C ATOM 587 C PHE A 39 10.290 0.108 4.467 1.00 1.00 C ATOM 588 O PHE A 39 11.425 0.608 4.488 1.00 1.00 O ATOM 589 CB PHE A 39 8.635 0.333 2.590 1.00 1.00 C ATOM 590 CG PHE A 39 8.554 0.110 1.095 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.660 0.414 0.289 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.387 -0.396 0.517 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.596 0.205 -1.088 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.325 -0.602 -0.864 1.00 1.00 C ATOM 595 CZ PHE A 39 8.430 -0.303 -1.667 1.00 1.00 C ATOM 0 H PHE A 39 8.201 -1.984 3.293 1.00 1.00 H new ATOM 0 HA PHE A 39 10.558 -0.667 2.489 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.676 0.101 3.052 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.844 1.382 2.798 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.561 0.810 0.734 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.533 -0.628 1.137 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.449 0.436 -1.708 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.423 -0.992 -1.311 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.382 -0.465 -2.734 1.00 1.00 H new ATOM 605 N LEU A 40 9.488 0.094 5.520 1.00 1.00 N ATOM 606 CA LEU A 40 9.900 0.685 6.786 1.00 1.00 C ATOM 607 C LEU A 40 11.108 -0.062 7.349 1.00 1.00 C ATOM 608 O LEU A 40 12.038 0.538 7.903 1.00 1.00 O ATOM 609 CB LEU A 40 8.749 0.620 7.792 1.00 1.00 C ATOM 610 CG LEU A 40 7.588 1.493 7.297 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.340 1.194 8.130 1.00 1.00 C ATOM 612 CD2 LEU A 40 7.949 2.983 7.425 1.00 1.00 C ATOM 0 H LEU A 40 8.554 -0.317 5.525 1.00 1.00 H new ATOM 0 HA LEU A 40 10.172 1.726 6.612 1.00 1.00 H new ATOM 0 HB2 LEU A 40 8.417 -0.411 7.915 1.00 1.00 H new ATOM 0 HB3 LEU A 40 9.086 0.965 8.770 1.00 1.00 H new ATOM 0 HG LEU A 40 7.394 1.268 6.248 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.513 1.812 7.781 1.00 1.00 H new ATOM 0 HD12 LEU A 40 6.076 0.142 8.025 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.541 1.414 9.178 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.117 3.591 7.070 1.00 1.00 H new ATOM 0 HD22 LEU A 40 8.152 3.220 8.469 1.00 1.00 H new ATOM 0 HD23 LEU A 40 8.835 3.196 6.826 1.00 1.00 H new ATOM 624 N HIS A 41 11.097 -1.377 7.198 1.00 1.00 N ATOM 625 CA HIS A 41 12.193 -2.195 7.698 1.00 1.00 C ATOM 626 C HIS A 41 13.464 -1.943 6.890 1.00 1.00 C ATOM 627 O HIS A 41 14.557 -2.212 7.340 1.00 1.00 O ATOM 628 CB HIS A 41 11.819 -3.682 7.611 1.00 1.00 C ATOM 629 CG HIS A 41 12.706 -4.486 8.527 1.00 1.00 C ATOM 630 ND1 HIS A 41 12.289 -4.903 9.782 1.00 1.00 N ATOM 631 CD2 HIS A 41 13.990 -4.948 8.385 1.00 1.00 C ATOM 632 CE1 HIS A 41 13.307 -5.584 10.340 1.00 1.00 C ATOM 633 NE2 HIS A 41 14.368 -5.640 9.531 1.00 1.00 N ATOM 0 H HIS A 41 10.350 -1.898 6.738 1.00 1.00 H new ATOM 0 HA HIS A 41 12.376 -1.925 8.738 1.00 1.00 H new ATOM 0 HB2 HIS A 41 10.774 -3.820 7.888 1.00 1.00 H new ATOM 0 HB3 HIS A 41 11.926 -4.034 6.585 1.00 1.00 H new ATOM 0 HD2 HIS A 41 14.613 -4.797 7.516 1.00 1.00 H new ATOM 0 HE1 HIS A 41 13.270 -6.031 11.323 1.00 1.00 H new ATOM 0 HE2 HIS A 41 15.263 -6.093 9.714 1.00 1.00 H new ATOM 642 N ALA A 42 13.309 -1.444 5.685 1.00 1.00 N ATOM 643 CA ALA A 42 14.452 -1.172 4.835 1.00 1.00 C ATOM 644 C ALA A 42 15.178 0.093 5.274 1.00 1.00 C ATOM 645 O ALA A 42 16.371 0.097 5.472 1.00 1.00 O ATOM 646 CB ALA A 42 14.008 -0.993 3.384 1.00 1.00 C ATOM 0 H ALA A 42 12.405 -1.218 5.269 1.00 1.00 H new ATOM 0 HA ALA A 42 15.127 -2.024 4.919 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.878 -0.790 2.760 1.00 1.00 H new ATOM 0 HB2 ALA A 42 13.518 -1.903 3.038 1.00 1.00 H new ATOM 0 HB3 ALA A 42 13.310 -0.158 3.317 1.00 1.00 H new ATOM 652 N ILE A 43 14.434 1.159 5.469 1.00 1.00 N ATOM 653 CA ILE A 43 15.041 2.428 5.892 1.00 1.00 C ATOM 654 C ILE A 43 15.669 2.319 7.272 1.00 1.00 C ATOM 655 O ILE A 43 16.652 3.004 7.571 1.00 1.00 O ATOM 656 CB ILE A 43 13.976 3.529 5.886 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.694 2.998 6.529 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.680 3.957 4.450 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.661 4.120 6.632 1.00 1.00 C ATOM 0 H ILE A 43 13.422 1.187 5.347 1.00 1.00 H new ATOM 0 HA ILE A 43 15.836 2.676 5.188 1.00 1.00 H new ATOM 0 HB ILE A 43 14.344 4.387 6.449 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.293 2.176 5.936 1.00 1.00 H new ATOM 0 HG13 ILE A 43 12.912 2.600 7.520 1.00 1.00 H new ATOM 0 HG21 ILE A 43 12.922 4.740 4.453 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.592 4.336 3.988 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.315 3.101 3.883 1.00 1.00 H new ATOM 0 HD11 ILE A 43 10.750 3.735 7.091 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.062 4.928 7.244 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.433 4.498 5.635 1.00 1.00 H new ATOM 671 N LYS A 44 15.103 1.460 8.113 1.00 1.00 N ATOM 672 CA LYS A 44 15.637 1.280 9.459 1.00 1.00 C ATOM 673 C LYS A 44 16.823 0.327 9.467 1.00 1.00 C ATOM 674 O LYS A 44 17.875 0.618 10.047 1.00 1.00 O ATOM 675 CB LYS A 44 14.557 0.709 10.380 1.00 1.00 C ATOM 676 CG LYS A 44 13.423 1.686 10.501 1.00 1.00 C ATOM 677 CD LYS A 44 12.341 1.137 11.429 1.00 1.00 C ATOM 678 CE LYS A 44 11.098 2.031 11.376 1.00 1.00 C ATOM 679 NZ LYS A 44 11.392 3.346 12.012 1.00 1.00 N ATOM 0 H LYS A 44 14.289 0.886 7.893 1.00 1.00 H new ATOM 0 HA LYS A 44 15.964 2.259 9.811 1.00 1.00 H new ATOM 0 HB2 LYS A 44 14.192 -0.239 9.984 1.00 1.00 H new ATOM 0 HB3 LYS A 44 14.977 0.502 11.364 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.793 2.636 10.886 1.00 1.00 H new ATOM 0 HG3 LYS A 44 13.000 1.885 9.516 1.00 1.00 H new ATOM 0 HD2 LYS A 44 12.080 0.120 11.135 1.00 1.00 H new ATOM 0 HD3 LYS A 44 12.719 1.086 12.450 1.00 1.00 H new ATOM 0 HE2 LYS A 44 10.789 2.179 10.341 1.00 1.00 H new ATOM 0 HE3 LYS A 44 10.268 1.546 11.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 10.519 3.909 12.064 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 11.763 3.192 12.971 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 12.099 3.856 11.445 1.00 1.00 H new ATOM 693 N TYR A 45 16.648 -0.818 8.813 1.00 1.00 N ATOM 694 CA TYR A 45 17.705 -1.826 8.766 1.00 1.00 C ATOM 695 C TYR A 45 18.649 -1.613 7.589 1.00 1.00 C ATOM 696 O TYR A 45 19.650 -2.325 7.442 1.00 1.00 O ATOM 697 CB TYR A 45 17.098 -3.232 8.691 1.00 1.00 C ATOM 698 CG TYR A 45 16.327 -3.516 9.962 1.00 1.00 C ATOM 699 CD1 TYR A 45 15.117 -2.863 10.208 1.00 1.00 C ATOM 700 CD2 TYR A 45 16.823 -4.425 10.896 1.00 1.00 C ATOM 701 CE1 TYR A 45 14.396 -3.112 11.374 1.00 1.00 C ATOM 702 CE2 TYR A 45 16.107 -4.684 12.071 1.00 1.00 C ATOM 703 CZ TYR A 45 14.890 -4.028 12.312 1.00 1.00 C ATOM 704 OH TYR A 45 14.187 -4.286 13.469 1.00 1.00 O ATOM 0 H TYR A 45 15.795 -1.070 8.313 1.00 1.00 H new ATOM 0 HA TYR A 45 18.286 -1.724 9.683 1.00 1.00 H new ATOM 0 HB2 TYR A 45 16.438 -3.309 7.827 1.00 1.00 H new ATOM 0 HB3 TYR A 45 17.886 -3.973 8.557 1.00 1.00 H new ATOM 0 HD1 TYR A 45 14.736 -2.156 9.486 1.00 1.00 H new ATOM 0 HD2 TYR A 45 17.760 -4.930 10.713 1.00 1.00 H new ATOM 0 HE1 TYR A 45 13.461 -2.602 11.554 1.00 1.00 H new ATOM 0 HE2 TYR A 45 16.492 -5.389 12.793 1.00 1.00 H new ATOM 0 HH TYR A 45 14.672 -4.947 14.006 1.00 1.00 H new ATOM 714 N GLU A 46 18.332 -0.628 6.755 1.00 1.00 N ATOM 715 CA GLU A 46 19.170 -0.314 5.589 1.00 1.00 C ATOM 716 C GLU A 46 19.477 1.177 5.568 1.00 1.00 C ATOM 717 O GLU A 46 18.764 1.979 6.171 1.00 1.00 O ATOM 718 CB GLU A 46 18.480 -0.728 4.295 1.00 1.00 C ATOM 719 CG GLU A 46 17.891 -2.135 4.460 1.00 1.00 C ATOM 720 CD GLU A 46 19.012 -3.162 4.518 1.00 1.00 C ATOM 721 OE1 GLU A 46 20.104 -2.839 4.085 1.00 1.00 O ATOM 722 OE2 GLU A 46 18.764 -4.255 4.999 1.00 1.00 O ATOM 0 H GLU A 46 17.509 -0.034 6.858 1.00 1.00 H new ATOM 0 HA GLU A 46 20.102 -0.874 5.668 1.00 1.00 H new ATOM 0 HB2 GLU A 46 17.691 -0.018 4.047 1.00 1.00 H new ATOM 0 HB3 GLU A 46 19.192 -0.714 3.470 1.00 1.00 H new ATOM 0 HG2 GLU A 46 17.294 -2.184 5.370 1.00 1.00 H new ATOM 0 HG3 GLU A 46 17.223 -2.359 3.628 1.00 1.00 H new ATOM 729 N ALA A 47 20.558 1.530 4.894 1.00 1.00 N ATOM 730 CA ALA A 47 20.988 2.925 4.818 1.00 1.00 C ATOM 731 C ALA A 47 20.246 3.670 3.745 1.00 1.00 C ATOM 732 O ALA A 47 19.142 4.123 3.989 1.00 1.00 O ATOM 733 CB ALA A 47 22.493 3.010 4.572 1.00 1.00 C ATOM 0 H ALA A 47 21.156 0.875 4.391 1.00 1.00 H new ATOM 0 HA ALA A 47 20.759 3.393 5.775 1.00 1.00 H new ATOM 0 HB1 ALA A 47 22.794 4.056 4.518 1.00 1.00 H new ATOM 0 HB2 ALA A 47 23.023 2.521 5.389 1.00 1.00 H new ATOM 0 HB3 ALA A 47 22.737 2.514 3.633 1.00 1.00 H new ATOM 739 N HIS A 48 20.873 3.808 2.584 1.00 1.00 N ATOM 740 CA HIS A 48 20.282 4.527 1.452 1.00 1.00 C ATOM 741 C HIS A 48 20.583 6.017 1.572 1.00 1.00 C ATOM 742 O HIS A 48 21.211 6.454 2.537 1.00 1.00 O ATOM 743 CB HIS A 48 18.767 4.297 1.397 1.00 1.00 C ATOM 744 CG HIS A 48 18.497 2.818 1.414 1.00 1.00 C ATOM 745 ND1 HIS A 48 18.952 1.973 0.416 1.00 1.00 N ATOM 746 CD2 HIS A 48 17.816 2.021 2.299 1.00 1.00 C ATOM 747 CE1 HIS A 48 18.541 0.729 0.719 1.00 1.00 C ATOM 748 NE2 HIS A 48 17.846 0.701 1.855 1.00 1.00 N ATOM 0 H HIS A 48 21.801 3.429 2.396 1.00 1.00 H new ATOM 0 HA HIS A 48 20.720 4.146 0.530 1.00 1.00 H new ATOM 0 HB2 HIS A 48 18.282 4.778 2.246 1.00 1.00 H new ATOM 0 HB3 HIS A 48 18.350 4.746 0.495 1.00 1.00 H new ATOM 0 HD1 HIS A 48 19.499 2.245 -0.401 1.00 1.00 H new ATOM 0 HD2 HIS A 48 17.331 2.364 3.201 1.00 1.00 H new ATOM 0 HE1 HIS A 48 18.749 -0.142 0.115 1.00 1.00 H new ATOM 757 N SER A 49 20.126 6.791 0.596 1.00 1.00 N ATOM 758 CA SER A 49 20.349 8.238 0.603 1.00 1.00 C ATOM 759 C SER A 49 19.234 8.962 1.362 1.00 1.00 C ATOM 760 O SER A 49 18.265 8.342 1.804 1.00 1.00 O ATOM 761 CB SER A 49 20.414 8.755 -0.833 1.00 1.00 C ATOM 762 OG SER A 49 21.656 8.377 -1.412 1.00 1.00 O ATOM 0 H SER A 49 19.601 6.447 -0.208 1.00 1.00 H new ATOM 0 HA SER A 49 21.294 8.437 1.109 1.00 1.00 H new ATOM 0 HB2 SER A 49 19.588 8.347 -1.416 1.00 1.00 H new ATOM 0 HB3 SER A 49 20.308 9.840 -0.846 1.00 1.00 H new ATOM 0 HG SER A 49 21.701 8.706 -2.334 1.00 1.00 H new ATOM 768 N ASP A 50 19.374 10.277 1.496 1.00 1.00 N ATOM 769 CA ASP A 50 18.366 11.074 2.189 1.00 1.00 C ATOM 770 C ASP A 50 17.091 11.137 1.353 1.00 1.00 C ATOM 771 O ASP A 50 16.001 10.847 1.852 1.00 1.00 O ATOM 772 CB ASP A 50 18.893 12.486 2.425 1.00 1.00 C ATOM 773 CG ASP A 50 19.977 12.463 3.497 1.00 1.00 C ATOM 774 OD1 ASP A 50 20.093 11.452 4.169 1.00 1.00 O ATOM 775 OD2 ASP A 50 20.676 13.454 3.629 1.00 1.00 O ATOM 0 H ASP A 50 20.167 10.810 1.138 1.00 1.00 H new ATOM 0 HA ASP A 50 18.144 10.608 3.149 1.00 1.00 H new ATOM 0 HB2 ASP A 50 19.295 12.893 1.497 1.00 1.00 H new ATOM 0 HB3 ASP A 50 18.078 13.141 2.734 1.00 1.00 H new ATOM 780 N LYS A 51 17.234 11.475 0.072 1.00 1.00 N ATOM 781 CA LYS A 51 16.082 11.534 -0.823 1.00 1.00 C ATOM 782 C LYS A 51 15.450 10.146 -0.940 1.00 1.00 C ATOM 783 O LYS A 51 14.254 10.012 -1.214 1.00 1.00 O ATOM 784 CB LYS A 51 16.524 12.024 -2.200 1.00 1.00 C ATOM 785 CG LYS A 51 16.998 13.478 -2.094 1.00 1.00 C ATOM 786 CD LYS A 51 17.414 13.992 -3.481 1.00 1.00 C ATOM 787 CE LYS A 51 18.858 13.580 -3.778 1.00 1.00 C ATOM 788 NZ LYS A 51 19.257 14.095 -5.113 1.00 1.00 N ATOM 0 H LYS A 51 18.126 11.709 -0.364 1.00 1.00 H new ATOM 0 HA LYS A 51 15.345 12.228 -0.419 1.00 1.00 H new ATOM 0 HB2 LYS A 51 17.328 11.395 -2.582 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.698 11.950 -2.907 1.00 1.00 H new ATOM 0 HG2 LYS A 51 16.201 14.101 -1.689 1.00 1.00 H new ATOM 0 HG3 LYS A 51 17.838 13.547 -1.403 1.00 1.00 H new ATOM 0 HD2 LYS A 51 16.747 13.588 -4.243 1.00 1.00 H new ATOM 0 HD3 LYS A 51 17.321 15.077 -3.519 1.00 1.00 H new ATOM 0 HE2 LYS A 51 19.525 13.974 -3.011 1.00 1.00 H new ATOM 0 HE3 LYS A 51 18.950 12.494 -3.753 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 20.238 13.815 -5.314 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 18.628 13.699 -5.840 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 19.185 15.132 -5.121 1.00 1.00 H new ATOM 802 N ALA A 52 16.265 9.116 -0.726 1.00 1.00 N ATOM 803 CA ALA A 52 15.777 7.742 -0.792 1.00 1.00 C ATOM 804 C ALA A 52 14.860 7.472 0.397 1.00 1.00 C ATOM 805 O ALA A 52 13.748 7.005 0.223 1.00 1.00 O ATOM 806 CB ALA A 52 16.948 6.766 -0.764 1.00 1.00 C ATOM 0 H ALA A 52 17.257 9.205 -0.507 1.00 1.00 H new ATOM 0 HA ALA A 52 15.224 7.605 -1.721 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.571 5.744 -0.814 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.599 6.955 -1.617 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.512 6.900 0.159 1.00 1.00 H new ATOM 812 N LYS A 53 15.329 7.799 1.599 1.00 1.00 N ATOM 813 CA LYS A 53 14.528 7.583 2.803 1.00 1.00 C ATOM 814 C LYS A 53 13.211 8.337 2.707 1.00 1.00 C ATOM 815 O LYS A 53 12.148 7.772 2.968 1.00 1.00 O ATOM 816 CB LYS A 53 15.318 8.070 4.041 1.00 1.00 C ATOM 817 CG LYS A 53 15.899 6.871 4.797 1.00 1.00 C ATOM 818 CD LYS A 53 17.012 6.216 3.959 1.00 1.00 C ATOM 819 CE LYS A 53 18.372 6.631 4.510 1.00 1.00 C ATOM 820 NZ LYS A 53 18.358 8.097 4.800 1.00 1.00 N ATOM 0 H LYS A 53 16.248 8.209 1.765 1.00 1.00 H new ATOM 0 HA LYS A 53 14.314 6.518 2.899 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.121 8.738 3.730 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.663 8.642 4.698 1.00 1.00 H new ATOM 0 HG2 LYS A 53 16.298 7.194 5.759 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.113 6.145 5.005 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.912 5.131 3.986 1.00 1.00 H new ATOM 0 HD3 LYS A 53 16.922 6.518 2.916 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.596 6.071 5.418 1.00 1.00 H new ATOM 0 HE3 LYS A 53 19.156 6.398 3.790 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 19.311 8.405 5.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 18.062 8.616 3.949 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 17.691 8.291 5.574 1.00 1.00 H new ATOM 834 N GLU A 54 13.286 9.605 2.328 1.00 1.00 N ATOM 835 CA GLU A 54 12.084 10.418 2.196 1.00 1.00 C ATOM 836 C GLU A 54 11.126 9.781 1.197 1.00 1.00 C ATOM 837 O GLU A 54 9.908 9.838 1.374 1.00 1.00 O ATOM 838 CB GLU A 54 12.461 11.828 1.726 1.00 1.00 C ATOM 839 CG GLU A 54 12.975 12.642 2.908 1.00 1.00 C ATOM 840 CD GLU A 54 13.464 14.008 2.433 1.00 1.00 C ATOM 841 OE1 GLU A 54 13.315 14.290 1.257 1.00 1.00 O ATOM 842 OE2 GLU A 54 13.979 14.749 3.254 1.00 1.00 O ATOM 0 H GLU A 54 14.156 10.090 2.108 1.00 1.00 H new ATOM 0 HA GLU A 54 11.592 10.481 3.167 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.225 11.771 0.951 1.00 1.00 H new ATOM 0 HB3 GLU A 54 11.594 12.319 1.284 1.00 1.00 H new ATOM 0 HG2 GLU A 54 12.182 12.767 3.645 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.787 12.108 3.401 1.00 1.00 H new ATOM 849 N SER A 55 11.682 9.168 0.157 1.00 1.00 N ATOM 850 CA SER A 55 10.856 8.518 -0.849 1.00 1.00 C ATOM 851 C SER A 55 10.063 7.377 -0.220 1.00 1.00 C ATOM 852 O SER A 55 8.889 7.171 -0.532 1.00 1.00 O ATOM 853 CB SER A 55 11.731 7.980 -1.984 1.00 1.00 C ATOM 854 OG SER A 55 10.907 7.422 -2.997 1.00 1.00 O ATOM 0 H SER A 55 12.687 9.109 -0.009 1.00 1.00 H new ATOM 0 HA SER A 55 10.160 9.251 -1.256 1.00 1.00 H new ATOM 0 HB2 SER A 55 12.341 8.783 -2.398 1.00 1.00 H new ATOM 0 HB3 SER A 55 12.417 7.224 -1.601 1.00 1.00 H new ATOM 0 HG SER A 55 11.468 7.079 -3.724 1.00 1.00 H new ATOM 860 N ILE A 56 10.722 6.620 0.653 1.00 1.00 N ATOM 861 CA ILE A 56 10.067 5.489 1.293 1.00 1.00 C ATOM 862 C ILE A 56 9.003 5.985 2.265 1.00 1.00 C ATOM 863 O ILE A 56 7.911 5.452 2.318 1.00 1.00 O ATOM 864 CB ILE A 56 11.108 4.663 2.073 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.359 4.471 1.214 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.530 3.286 2.409 1.00 1.00 C ATOM 867 CD1 ILE A 56 11.973 4.038 -0.192 1.00 1.00 C ATOM 0 H ILE A 56 11.693 6.767 0.929 1.00 1.00 H new ATOM 0 HA ILE A 56 9.601 4.871 0.525 1.00 1.00 H new ATOM 0 HB ILE A 56 11.363 5.192 2.991 1.00 1.00 H new ATOM 0 HG12 ILE A 56 12.926 5.401 1.173 1.00 1.00 H new ATOM 0 HG13 ILE A 56 13.008 3.722 1.667 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.270 2.706 2.960 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.635 3.406 3.019 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.273 2.764 1.487 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.873 3.905 -0.792 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.426 3.096 -0.145 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.343 4.802 -0.648 1.00 1.00 H new ATOM 879 N ARG A 57 9.351 6.996 3.053 1.00 1.00 N ATOM 880 CA ARG A 57 8.423 7.539 4.038 1.00 1.00 C ATOM 881 C ARG A 57 7.205 8.162 3.361 1.00 1.00 C ATOM 882 O ARG A 57 6.067 7.973 3.806 1.00 1.00 O ATOM 883 CB ARG A 57 9.122 8.606 4.884 1.00 1.00 C ATOM 884 CG ARG A 57 10.243 7.959 5.697 1.00 1.00 C ATOM 885 CD ARG A 57 10.864 9.001 6.632 1.00 1.00 C ATOM 886 NE ARG A 57 11.980 8.419 7.369 1.00 1.00 N ATOM 887 CZ ARG A 57 12.473 9.012 8.452 1.00 1.00 C ATOM 888 NH1 ARG A 57 11.955 10.132 8.877 1.00 1.00 N ATOM 889 NH2 ARG A 57 13.476 8.473 9.092 1.00 1.00 N ATOM 0 H ARG A 57 10.262 7.454 3.030 1.00 1.00 H new ATOM 0 HA ARG A 57 8.092 6.717 4.673 1.00 1.00 H new ATOM 0 HB2 ARG A 57 9.529 9.386 4.241 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.404 9.084 5.551 1.00 1.00 H new ATOM 0 HG2 ARG A 57 9.851 7.123 6.276 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.004 7.555 5.029 1.00 1.00 H new ATOM 0 HD2 ARG A 57 11.209 9.858 6.054 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.111 9.368 7.329 1.00 1.00 H new ATOM 0 HE ARG A 57 12.389 7.542 7.048 1.00 1.00 H new ATOM 0 HH11 ARG A 57 11.171 10.553 8.378 1.00 1.00 H new ATOM 0 HH12 ARG A 57 12.334 10.586 9.708 1.00 1.00 H new ATOM 0 HH21 ARG A 57 13.881 7.597 8.761 1.00 1.00 H new ATOM 0 HH22 ARG A 57 13.854 8.928 9.923 1.00 1.00 H new ATOM 903 N ALA A 58 7.449 8.887 2.269 1.00 1.00 N ATOM 904 CA ALA A 58 6.366 9.528 1.528 1.00 1.00 C ATOM 905 C ALA A 58 5.457 8.481 0.874 1.00 1.00 C ATOM 906 O ALA A 58 4.232 8.550 0.946 1.00 1.00 O ATOM 907 CB ALA A 58 6.949 10.450 0.462 1.00 1.00 C ATOM 0 H ALA A 58 8.379 9.044 1.882 1.00 1.00 H new ATOM 0 HA ALA A 58 5.766 10.112 2.226 1.00 1.00 H new ATOM 0 HB1 ALA A 58 6.139 10.927 -0.089 1.00 1.00 H new ATOM 0 HB2 ALA A 58 7.563 11.214 0.938 1.00 1.00 H new ATOM 0 HB3 ALA A 58 7.563 9.868 -0.226 1.00 1.00 H new ATOM 913 N LYS A 59 6.061 7.502 0.237 1.00 1.00 N ATOM 914 CA LYS A 59 5.294 6.445 -0.402 1.00 1.00 C ATOM 915 C LYS A 59 4.658 5.535 0.639 1.00 1.00 C ATOM 916 O LYS A 59 3.560 5.017 0.449 1.00 1.00 O ATOM 917 CB LYS A 59 6.196 5.651 -1.350 1.00 1.00 C ATOM 918 CG LYS A 59 6.306 6.387 -2.711 1.00 1.00 C ATOM 919 CD LYS A 59 5.411 5.695 -3.741 1.00 1.00 C ATOM 920 CE LYS A 59 3.956 5.740 -3.298 1.00 1.00 C ATOM 921 NZ LYS A 59 3.089 5.160 -4.353 1.00 1.00 N ATOM 0 H LYS A 59 7.073 7.412 0.146 1.00 1.00 H new ATOM 0 HA LYS A 59 4.488 6.894 -0.983 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.186 5.532 -0.910 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.791 4.650 -1.499 1.00 1.00 H new ATOM 0 HG2 LYS A 59 6.009 7.429 -2.597 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.341 6.386 -3.054 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.518 6.182 -4.710 1.00 1.00 H new ATOM 0 HD3 LYS A 59 5.727 4.660 -3.869 1.00 1.00 H new ATOM 0 HE2 LYS A 59 3.833 5.185 -2.368 1.00 1.00 H new ATOM 0 HE3 LYS A 59 3.660 6.769 -3.097 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 2.268 5.780 -4.507 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 3.629 5.074 -5.238 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 2.761 4.219 -4.055 1.00 1.00 H new ATOM 935 N CYS A 60 5.371 5.320 1.725 1.00 1.00 N ATOM 936 CA CYS A 60 4.880 4.458 2.791 1.00 1.00 C ATOM 937 C CYS A 60 3.528 4.963 3.279 1.00 1.00 C ATOM 938 O CYS A 60 2.584 4.186 3.426 1.00 1.00 O ATOM 939 CB CYS A 60 5.875 4.454 3.957 1.00 1.00 C ATOM 940 SG CYS A 60 7.182 3.250 3.637 1.00 1.00 S ATOM 0 H CYS A 60 6.290 5.727 1.897 1.00 1.00 H new ATOM 0 HA CYS A 60 4.771 3.444 2.407 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.305 5.447 4.084 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.360 4.208 4.886 1.00 1.00 H new ATOM 0 HG CYS A 60 7.934 3.674 2.666 1.00 1.00 H new ATOM 946 N VAL A 61 3.440 6.269 3.527 1.00 1.00 N ATOM 947 CA VAL A 61 2.188 6.863 3.990 1.00 1.00 C ATOM 948 C VAL A 61 1.115 6.773 2.910 1.00 1.00 C ATOM 949 O VAL A 61 -0.078 6.651 3.213 1.00 1.00 O ATOM 950 CB VAL A 61 2.414 8.325 4.381 1.00 1.00 C ATOM 951 CG1 VAL A 61 3.009 9.084 3.204 1.00 1.00 C ATOM 952 CG2 VAL A 61 1.079 8.961 4.768 1.00 1.00 C ATOM 0 H VAL A 61 4.210 6.928 3.417 1.00 1.00 H new ATOM 0 HA VAL A 61 1.846 6.307 4.863 1.00 1.00 H new ATOM 0 HB VAL A 61 3.101 8.369 5.226 1.00 1.00 H new ATOM 0 HG11 VAL A 61 3.169 10.125 3.486 1.00 1.00 H new ATOM 0 HG12 VAL A 61 3.961 8.633 2.924 1.00 1.00 H new ATOM 0 HG13 VAL A 61 2.324 9.038 2.358 1.00 1.00 H new ATOM 0 HG21 VAL A 61 1.239 10.003 5.047 1.00 1.00 H new ATOM 0 HG22 VAL A 61 0.394 8.913 3.921 1.00 1.00 H new ATOM 0 HG23 VAL A 61 0.650 8.421 5.612 1.00 1.00 H new ATOM 962 N GLN A 62 1.552 6.807 1.650 1.00 1.00 N ATOM 963 CA GLN A 62 0.611 6.697 0.534 1.00 1.00 C ATOM 964 C GLN A 62 -0.035 5.309 0.517 1.00 1.00 C ATOM 965 O GLN A 62 -1.257 5.171 0.351 1.00 1.00 O ATOM 966 CB GLN A 62 1.336 6.952 -0.789 1.00 1.00 C ATOM 967 CG GLN A 62 1.676 8.436 -0.910 1.00 1.00 C ATOM 968 CD GLN A 62 2.463 8.709 -2.171 1.00 1.00 C ATOM 969 OE1 GLN A 62 2.004 8.388 -3.266 1.00 1.00 O ATOM 970 NE2 GLN A 62 3.642 9.261 -2.087 1.00 1.00 N ATOM 0 H GLN A 62 2.530 6.908 1.380 1.00 1.00 H new ATOM 0 HA GLN A 62 -0.171 7.445 0.662 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.247 6.355 -0.837 1.00 1.00 H new ATOM 0 HB3 GLN A 62 0.708 6.643 -1.625 1.00 1.00 H new ATOM 0 HG2 GLN A 62 0.758 9.024 -0.915 1.00 1.00 H new ATOM 0 HG3 GLN A 62 2.253 8.753 -0.041 1.00 1.00 H new ATOM 0 HE21 GLN A 62 4.018 9.525 -1.176 1.00 1.00 H new ATOM 0 HE22 GLN A 62 4.188 9.428 -2.932 1.00 1.00 H new ATOM 979 N TYR A 63 0.790 4.281 0.698 1.00 1.00 N ATOM 980 CA TYR A 63 0.290 2.910 0.709 1.00 1.00 C ATOM 981 C TYR A 63 -0.593 2.669 1.920 1.00 1.00 C ATOM 982 O TYR A 63 -1.653 2.046 1.811 1.00 1.00 O ATOM 983 CB TYR A 63 1.463 1.931 0.728 1.00 1.00 C ATOM 984 CG TYR A 63 2.321 2.118 -0.504 1.00 1.00 C ATOM 985 CD1 TYR A 63 1.732 2.204 -1.772 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.716 2.206 -0.379 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.525 2.382 -2.900 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.507 2.384 -1.516 1.00 1.00 C ATOM 989 CZ TYR A 63 3.909 2.477 -2.775 1.00 1.00 C ATOM 990 OH TYR A 63 4.687 2.644 -3.902 1.00 1.00 O ATOM 0 H TYR A 63 1.797 4.369 0.838 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.303 2.753 -0.192 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.063 2.088 1.625 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.091 0.907 0.769 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.659 2.132 -1.874 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.177 2.136 0.595 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.067 2.447 -3.876 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.581 2.450 -1.422 1.00 1.00 H new ATOM 0 HH TYR A 63 4.115 2.880 -4.662 1.00 1.00 H new ATOM 1000 N LEU A 64 -0.164 3.174 3.064 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.935 3.024 4.287 1.00 1.00 C ATOM 1002 C LEU A 64 -2.245 3.796 4.212 1.00 1.00 C ATOM 1003 O LEU A 64 -3.232 3.411 4.840 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.111 3.511 5.494 1.00 1.00 C ATOM 1005 CG LEU A 64 0.682 2.346 6.091 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.701 2.883 7.099 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.276 1.358 6.795 1.00 1.00 C ATOM 0 H LEU A 64 0.710 3.689 3.172 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.169 1.966 4.409 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.570 4.304 5.184 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.773 3.936 6.249 1.00 1.00 H new ATOM 0 HG LEU A 64 1.204 1.823 5.290 1.00 1.00 H new ATOM 0 HD11 LEU A 64 2.265 2.053 7.524 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.385 3.567 6.596 1.00 1.00 H new ATOM 0 HD13 LEU A 64 1.180 3.413 7.896 1.00 1.00 H new ATOM 0 HD21 LEU A 64 0.298 0.533 7.216 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -0.809 1.874 7.593 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -0.993 0.969 6.072 1.00 1.00 H new ATOM 1019 N ASP A 65 -2.252 4.866 3.435 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.457 5.674 3.282 1.00 1.00 C ATOM 1021 C ASP A 65 -4.518 4.900 2.502 1.00 1.00 C ATOM 1022 O ASP A 65 -5.683 4.828 2.914 1.00 1.00 O ATOM 1023 CB ASP A 65 -3.113 6.970 2.559 1.00 1.00 C ATOM 1024 CG ASP A 65 -4.382 7.771 2.292 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -5.408 7.417 2.850 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -4.312 8.728 1.538 1.00 1.00 O ATOM 0 H ASP A 65 -1.446 5.196 2.903 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.857 5.909 4.268 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -2.421 7.559 3.161 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.608 6.748 1.619 1.00 1.00 H new ATOM 1031 N ARG A 66 -4.102 4.312 1.383 1.00 1.00 N ATOM 1032 CA ARG A 66 -5.022 3.529 0.563 1.00 1.00 C ATOM 1033 C ARG A 66 -5.509 2.312 1.341 1.00 1.00 C ATOM 1034 O ARG A 66 -6.672 1.924 1.265 1.00 1.00 O ATOM 1035 CB ARG A 66 -4.340 3.087 -0.728 1.00 1.00 C ATOM 1036 CG ARG A 66 -4.188 4.291 -1.672 1.00 1.00 C ATOM 1037 CD ARG A 66 -5.465 4.462 -2.504 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.667 3.292 -3.352 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.645 3.256 -4.249 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -7.442 4.279 -4.382 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.809 2.198 -4.996 1.00 1.00 N ATOM 0 H ARG A 66 -3.147 4.361 1.027 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.879 4.153 0.308 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.362 2.661 -0.506 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.926 2.305 -1.211 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -3.995 5.195 -1.095 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -3.331 4.144 -2.330 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -6.323 4.597 -1.845 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -5.391 5.359 -3.119 1.00 1.00 H new ATOM 0 HE ARG A 66 -5.046 2.488 -3.254 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -7.314 5.105 -3.798 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -8.194 4.253 -5.071 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.185 1.398 -4.891 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.561 2.172 -5.685 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.602 1.696 2.080 1.00 1.00 N ATOM 1056 CA ALA A 67 -4.947 0.523 2.870 1.00 1.00 C ATOM 1057 C ALA A 67 -5.983 0.881 3.935 1.00 1.00 C ATOM 1058 O ALA A 67 -6.883 0.092 4.241 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.692 -0.048 3.545 1.00 1.00 C ATOM 0 H ALA A 67 -3.626 1.985 2.151 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.370 -0.228 2.203 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -3.962 -0.925 4.133 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -2.966 -0.332 2.783 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.255 0.707 4.199 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.853 2.075 4.500 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.786 2.520 5.532 1.00 1.00 C ATOM 1067 C GLU A 68 -8.182 2.741 4.963 1.00 1.00 C ATOM 1068 O GLU A 68 -9.148 2.134 5.426 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.275 3.837 6.148 1.00 1.00 C ATOM 1070 CG GLU A 68 -5.170 3.545 7.160 1.00 1.00 C ATOM 1071 CD GLU A 68 -5.766 2.892 8.401 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -6.980 2.864 8.505 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -4.998 2.425 9.228 1.00 1.00 O ATOM 0 H GLU A 68 -5.121 2.746 4.266 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.847 1.742 6.293 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -5.897 4.493 5.363 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -7.096 4.363 6.635 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -4.422 2.888 6.716 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -4.661 4.469 7.433 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.278 3.595 3.954 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.566 3.878 3.327 1.00 1.00 C ATOM 1082 C LYS A 69 -10.150 2.597 2.741 1.00 1.00 C ATOM 1083 O LYS A 69 -11.370 2.383 2.773 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.406 4.926 2.241 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.215 4.559 1.339 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.714 4.079 -0.031 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.102 5.286 -0.880 1.00 1.00 C ATOM 1088 NZ LYS A 69 -7.916 6.169 -1.056 1.00 1.00 N ATOM 0 H LYS A 69 -7.488 4.101 3.553 1.00 1.00 H new ATOM 0 HA LYS A 69 -10.248 4.265 4.084 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.318 4.991 1.647 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -9.247 5.907 2.689 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.564 5.424 1.214 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -7.619 3.778 1.811 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.936 3.503 -0.532 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -9.571 3.417 0.093 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.472 4.957 -1.851 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -9.911 5.837 -0.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -8.076 7.069 -0.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -7.074 5.702 -0.663 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -7.768 6.354 -2.069 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.282 1.735 2.218 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.724 0.472 1.646 1.00 1.00 C ATOM 1104 C LEU A 70 -10.460 -0.345 2.690 1.00 1.00 C ATOM 1105 O LEU A 70 -11.540 -0.856 2.432 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.516 -0.316 1.109 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.180 0.153 -0.310 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.778 -0.314 -0.692 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.208 -0.423 -1.311 1.00 1.00 C ATOM 0 H LEU A 70 -8.274 1.889 2.180 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.404 0.678 0.820 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.656 -0.171 1.763 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -8.738 -1.383 1.106 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.218 1.242 -0.342 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.545 0.023 -1.702 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.053 0.104 0.006 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.734 -1.402 -0.653 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -8.963 -0.086 -2.318 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.179 -1.512 -1.276 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.207 -0.078 -1.045 1.00 1.00 H new ATOM 1121 N LYS A 71 -9.879 -0.429 3.860 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.470 -1.157 4.975 1.00 1.00 C ATOM 1123 C LYS A 71 -11.660 -0.379 5.530 1.00 1.00 C ATOM 1124 O LYS A 71 -12.550 -0.933 6.183 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.460 -1.375 6.095 1.00 1.00 C ATOM 1126 CG LYS A 71 -10.030 -2.342 7.136 1.00 1.00 C ATOM 1127 CD LYS A 71 -9.144 -2.354 8.380 1.00 1.00 C ATOM 1128 CE LYS A 71 -7.693 -2.601 7.975 1.00 1.00 C ATOM 1129 NZ LYS A 71 -6.918 -3.077 9.151 1.00 1.00 N ATOM 0 H LYS A 71 -8.981 0.003 4.076 1.00 1.00 H new ATOM 0 HA LYS A 71 -10.794 -2.128 4.601 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.532 -1.774 5.686 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.217 -0.423 6.566 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -11.044 -2.044 7.404 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.094 -3.346 6.715 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -9.228 -1.404 8.907 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -9.477 -3.131 9.068 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.649 -3.340 7.175 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -7.253 -1.683 7.585 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.930 -3.244 8.871 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -6.948 -2.357 9.901 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -7.332 -3.963 9.504 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.670 0.929 5.294 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.740 1.768 5.823 1.00 1.00 C ATOM 1145 C ASP A 72 -14.100 1.472 5.196 1.00 1.00 C ATOM 1146 O ASP A 72 -15.070 1.127 5.889 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.390 3.251 5.544 1.00 1.00 C ATOM 1148 CG ASP A 72 -13.280 4.164 6.390 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.840 3.680 7.357 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -13.370 5.337 6.063 1.00 1.00 O ATOM 0 H ASP A 72 -10.963 1.424 4.750 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.817 1.557 6.890 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -11.341 3.436 5.775 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.528 3.473 4.486 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.160 1.588 3.875 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.400 1.334 3.161 1.00 1.00 C ATOM 1157 C TYR A 73 -15.650 -0.158 3.042 1.00 1.00 C ATOM 1158 O TYR A 73 -16.790 -0.592 2.965 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.400 2.014 1.798 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.600 1.199 0.813 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.150 0.029 0.270 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.320 1.599 0.455 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.420 -0.734 -0.621 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.590 0.835 -0.447 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.140 -0.332 -0.984 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.400 -1.089 -1.860 1.00 1.00 O ATOM 0 H TYR A 73 -13.372 1.854 3.284 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.220 1.765 3.735 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.423 2.129 1.440 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -14.977 3.015 1.882 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.147 -0.277 0.549 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -12.894 2.498 0.875 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -14.842 -1.639 -1.033 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.596 1.144 -0.734 1.00 1.00 H new ATOM 0 HH TYR A 73 -12.686 -2.025 -1.806 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.570 -0.932 3.012 1.00 1.00 N ATOM 1177 CA LEU A 74 -14.700 -2.385 2.905 1.00 1.00 C ATOM 1178 C LEU A 74 -15.440 -2.920 4.123 1.00 1.00 C ATOM 1179 O LEU A 74 -16.370 -3.716 3.989 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.310 -3.017 2.856 1.00 1.00 C ATOM 1181 CG LEU A 74 -12.790 -3.040 1.412 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.280 -3.353 1.386 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -13.580 -4.114 0.613 1.00 1.00 C ATOM 0 H LEU A 74 -13.611 -0.588 3.059 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.253 -2.631 1.998 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.624 -2.454 3.489 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.349 -4.032 3.252 1.00 1.00 H new ATOM 0 HG LEU A 74 -12.937 -2.061 0.956 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -10.929 -3.365 0.354 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -10.740 -2.588 1.944 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.102 -4.327 1.841 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.220 -4.140 -0.415 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -13.434 -5.091 1.074 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -14.641 -3.865 0.620 1.00 1.00 H new ATOM 1195 N ARG A 75 -15.030 -2.472 5.307 1.00 1.00 N ATOM 1196 CA ARG A 75 -15.670 -2.905 6.540 1.00 1.00 C ATOM 1197 C ARG A 75 -17.080 -2.334 6.637 1.00 1.00 C ATOM 1198 O ARG A 75 -18.020 -3.023 7.042 1.00 1.00 O ATOM 1199 CB ARG A 75 -14.840 -2.475 7.749 1.00 1.00 C ATOM 1200 CG ARG A 75 -15.580 -2.820 9.037 1.00 1.00 C ATOM 1201 CD ARG A 75 -14.660 -2.605 10.236 1.00 1.00 C ATOM 1202 NE ARG A 75 -15.320 -3.045 11.464 1.00 1.00 N ATOM 1203 CZ ARG A 75 -14.740 -2.895 12.648 1.00 1.00 C ATOM 1204 NH1 ARG A 75 -13.560 -2.344 12.726 1.00 1.00 N ATOM 1205 NH2 ARG A 75 -15.340 -3.295 13.732 1.00 1.00 N ATOM 0 H ARG A 75 -14.262 -1.813 5.436 1.00 1.00 H new ATOM 0 HA ARG A 75 -15.736 -3.993 6.532 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -13.871 -2.974 7.732 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -14.648 -1.403 7.706 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -16.470 -2.198 9.134 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -15.917 -3.856 9.007 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -13.732 -3.158 10.095 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -14.394 -1.551 10.315 1.00 1.00 H new ATOM 0 HE ARG A 75 -16.243 -3.475 11.410 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -13.087 -2.030 11.879 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -13.111 -2.227 13.634 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -16.262 -3.727 13.675 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -14.888 -3.176 14.639 1.00 1.00 H new TER 1219 ARG A 75 ATOM 1220 N ILE B 168 16.097 4.887 -7.036 1.00 1.00 N ATOM 1221 CA ILE B 168 14.882 4.442 -6.357 1.00 1.00 C ATOM 1222 C ILE B 168 13.653 5.020 -7.038 1.00 1.00 C ATOM 1223 O ILE B 168 13.407 6.225 -6.981 1.00 1.00 O ATOM 1224 CB ILE B 168 14.911 4.878 -4.893 1.00 1.00 C ATOM 1225 CG1 ILE B 168 15.963 4.064 -4.142 1.00 1.00 C ATOM 1226 CG2 ILE B 168 13.543 4.653 -4.244 1.00 1.00 C ATOM 1227 CD1 ILE B 168 16.091 4.553 -2.704 1.00 1.00 C ATOM 0 HA ILE B 168 14.835 3.354 -6.408 1.00 1.00 H new ATOM 0 HB ILE B 168 15.157 5.939 -4.846 1.00 1.00 H new ATOM 0 HG12 ILE B 168 15.689 3.009 -4.150 1.00 1.00 H new ATOM 0 HG13 ILE B 168 16.925 4.148 -4.648 1.00 1.00 H new ATOM 0 HG21 ILE B 168 13.579 4.968 -3.201 1.00 1.00 H new ATOM 0 HG22 ILE B 168 12.789 5.235 -4.773 1.00 1.00 H new ATOM 0 HG23 ILE B 168 13.286 3.595 -4.295 1.00 1.00 H new ATOM 0 HD11 ILE B 168 16.845 3.962 -2.184 1.00 1.00 H new ATOM 0 HD12 ILE B 168 16.387 5.602 -2.701 1.00 1.00 H new ATOM 0 HD13 ILE B 168 15.132 4.446 -2.196 1.00 1.00 H new ATOM 1239 N GLU B 169 12.863 4.148 -7.658 1.00 1.00 N ATOM 1240 CA GLU B 169 11.639 4.576 -8.332 1.00 1.00 C ATOM 1241 C GLU B 169 10.469 3.688 -7.940 1.00 1.00 C ATOM 1242 O GLU B 169 10.343 2.561 -8.421 1.00 1.00 O ATOM 1243 CB GLU B 169 11.833 4.530 -9.844 1.00 1.00 C ATOM 1244 CG GLU B 169 12.829 5.611 -10.260 1.00 1.00 C ATOM 1245 CD GLU B 169 13.121 5.499 -11.750 1.00 1.00 C ATOM 1246 OE1 GLU B 169 12.517 4.654 -12.390 1.00 1.00 O ATOM 1247 OE2 GLU B 169 13.946 6.258 -12.240 1.00 1.00 O ATOM 0 H GLU B 169 13.046 3.146 -7.708 1.00 1.00 H new ATOM 0 HA GLU B 169 11.419 5.598 -8.025 1.00 1.00 H new ATOM 0 HB2 GLU B 169 12.198 3.548 -10.145 1.00 1.00 H new ATOM 0 HB3 GLU B 169 10.880 4.684 -10.349 1.00 1.00 H new ATOM 0 HG2 GLU B 169 12.425 6.597 -10.033 1.00 1.00 H new ATOM 0 HG3 GLU B 169 13.752 5.506 -9.690 1.00 1.00 H new ATOM 1254 N LEU B 170 9.611 4.198 -7.058 1.00 1.00 N ATOM 1255 CA LEU B 170 8.461 3.435 -6.605 1.00 1.00 C ATOM 1256 C LEU B 170 7.251 3.699 -7.497 1.00 1.00 C ATOM 1257 O LEU B 170 7.220 4.678 -8.244 1.00 1.00 O ATOM 1258 CB LEU B 170 8.111 3.811 -5.159 1.00 1.00 C ATOM 1259 CG LEU B 170 9.326 3.526 -4.256 1.00 1.00 C ATOM 1260 CD1 LEU B 170 9.310 4.479 -3.062 1.00 1.00 C ATOM 1261 CD2 LEU B 170 9.276 2.071 -3.752 1.00 1.00 C ATOM 0 H LEU B 170 9.693 5.129 -6.649 1.00 1.00 H new ATOM 0 HA LEU B 170 8.718 2.377 -6.657 1.00 1.00 H new ATOM 0 HB2 LEU B 170 7.838 4.865 -5.100 1.00 1.00 H new ATOM 0 HB3 LEU B 170 7.248 3.238 -4.820 1.00 1.00 H new ATOM 0 HG LEU B 170 10.240 3.675 -4.830 1.00 1.00 H new ATOM 0 HD11 LEU B 170 10.170 4.277 -2.423 1.00 1.00 H new ATOM 0 HD12 LEU B 170 9.356 5.508 -3.417 1.00 1.00 H new ATOM 0 HD13 LEU B 170 8.393 4.333 -2.492 1.00 1.00 H new ATOM 0 HD21 LEU B 170 10.138 1.877 -3.114 1.00 1.00 H new ATOM 0 HD22 LEU B 170 8.360 1.915 -3.182 1.00 1.00 H new ATOM 0 HD23 LEU B 170 9.294 1.390 -4.603 1.00 1.00 H new ATOM 1273 N PRO B 171 6.253 2.857 -7.419 1.00 1.00 N ATOM 1274 CA PRO B 171 5.006 3.018 -8.227 1.00 1.00 C ATOM 1275 C PRO B 171 3.984 3.908 -7.527 1.00 1.00 C ATOM 1276 O PRO B 171 4.075 4.150 -6.326 1.00 1.00 O ATOM 1277 CB PRO B 171 4.477 1.582 -8.378 1.00 1.00 C ATOM 1278 CG PRO B 171 5.110 0.812 -7.265 1.00 1.00 C ATOM 1279 CD PRO B 171 6.464 1.449 -7.044 1.00 1.00 C ATOM 0 HA PRO B 171 5.197 3.504 -9.184 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.390 1.554 -8.308 1.00 1.00 H new ATOM 0 HB3 PRO B 171 4.745 1.164 -9.348 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.503 0.860 -6.361 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.211 -0.242 -7.526 1.00 1.00 H new ATOM 0 HD2 PRO B 171 6.786 1.355 -6.007 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.232 0.981 -7.660 1.00 1.00 H new ATOM 1287 N GLU B 172 2.994 4.371 -8.286 1.00 1.00 N ATOM 1288 CA GLU B 172 1.941 5.217 -7.733 1.00 1.00 C ATOM 1289 C GLU B 172 0.654 4.420 -7.549 1.00 1.00 C ATOM 1290 O GLU B 172 0.164 3.780 -8.481 1.00 1.00 O ATOM 1291 CB GLU B 172 1.681 6.406 -8.659 1.00 1.00 C ATOM 1292 CG GLU B 172 1.613 5.924 -10.110 1.00 1.00 C ATOM 1293 CD GLU B 172 1.354 7.100 -11.040 1.00 1.00 C ATOM 1294 OE1 GLU B 172 0.640 8.002 -10.630 1.00 1.00 O ATOM 1295 OE2 GLU B 172 1.872 7.081 -12.140 1.00 1.00 O ATOM 0 H GLU B 172 2.899 4.175 -9.283 1.00 1.00 H new ATOM 0 HA GLU B 172 2.270 5.583 -6.760 1.00 1.00 H new ATOM 0 HB2 GLU B 172 0.747 6.896 -8.384 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.474 7.146 -8.548 1.00 1.00 H new ATOM 0 HG2 GLU B 172 2.548 5.434 -10.383 1.00 1.00 H new ATOM 0 HG3 GLU B 172 0.821 5.183 -10.219 1.00 1.00 H new ATOM 1302 N VAL B 173 0.120 4.455 -6.338 1.00 1.00 N ATOM 1303 CA VAL B 173 -1.090 3.729 -6.038 1.00 1.00 C ATOM 1304 C VAL B 173 -2.180 4.042 -7.067 1.00 1.00 C ATOM 1305 O VAL B 173 -2.298 5.172 -7.534 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.601 4.067 -4.620 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -1.193 2.966 -3.637 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.984 5.392 -4.182 1.00 1.00 C ATOM 0 H VAL B 173 0.509 4.978 -5.554 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.856 2.665 -6.082 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.688 4.142 -4.632 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.558 3.214 -2.640 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.623 2.016 -3.955 1.00 1.00 H new ATOM 0 HG13 VAL B 173 -0.106 2.882 -3.615 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -1.336 5.644 -3.182 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.102 5.302 -4.173 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -1.277 6.178 -4.878 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.977 3.067 -7.405 1.00 1.00 N ATOM 1319 CA PRO B 174 -4.086 3.247 -8.390 1.00 1.00 C ATOM 1320 C PRO B 174 -5.234 4.078 -7.819 1.00 1.00 C ATOM 1321 O PRO B 174 -5.420 4.142 -6.605 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.552 1.808 -8.699 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.560 0.902 -8.047 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.936 1.683 -6.924 1.00 1.00 C ATOM 0 HA PRO B 174 -3.755 3.788 -9.276 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.555 1.631 -8.311 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -4.591 1.634 -9.774 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.047 0.003 -7.670 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -2.803 0.579 -8.761 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -3.493 1.564 -5.995 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.915 1.357 -6.727 1.00 1.00 H new ATOM 1332 N SER B 175 -6.017 4.693 -8.706 1.00 1.00 N ATOM 1333 CA SER B 175 -7.162 5.501 -8.277 1.00 1.00 C ATOM 1334 C SER B 175 -8.435 5.018 -8.953 1.00 1.00 C ATOM 1335 O SER B 175 -8.842 5.543 -9.989 1.00 1.00 O ATOM 1336 CB SER B 175 -6.918 6.964 -8.637 1.00 1.00 C ATOM 1337 OG SER B 175 -5.686 7.388 -8.066 1.00 1.00 O ATOM 0 H SER B 175 -5.883 4.649 -9.716 1.00 1.00 H new ATOM 0 HA SER B 175 -7.277 5.402 -7.198 1.00 1.00 H new ATOM 0 HB2 SER B 175 -6.891 7.085 -9.720 1.00 1.00 H new ATOM 0 HB3 SER B 175 -7.736 7.583 -8.268 1.00 1.00 H new ATOM 0 HG SER B 175 -5.525 8.327 -8.296 1.00 1.00 H new ATOM 1343 N GLU B 176 -9.074 4.014 -8.350 1.00 1.00 N ATOM 1344 CA GLU B 176 -10.300 3.475 -8.898 1.00 1.00 C ATOM 1345 C GLU B 176 -11.510 4.267 -8.392 1.00 1.00 C ATOM 1346 O GLU B 176 -11.400 5.024 -7.424 1.00 1.00 O ATOM 1347 CB GLU B 176 -10.460 2.003 -8.511 1.00 1.00 C ATOM 1348 CG GLU B 176 -9.491 1.158 -9.337 1.00 1.00 C ATOM 1349 CD GLU B 176 -10.010 1.006 -10.760 1.00 1.00 C ATOM 1350 OE1 GLU B 176 -11.100 0.494 -10.920 1.00 1.00 O ATOM 1351 OE2 GLU B 176 -9.306 1.404 -11.670 1.00 1.00 O ATOM 0 H GLU B 176 -8.759 3.567 -7.489 1.00 1.00 H new ATOM 0 HA GLU B 176 -10.247 3.557 -9.984 1.00 1.00 H new ATOM 0 HB2 GLU B 176 -10.261 1.871 -7.447 1.00 1.00 H new ATOM 0 HB3 GLU B 176 -11.485 1.678 -8.687 1.00 1.00 H new ATOM 0 HG2 GLU B 176 -8.507 1.627 -9.349 1.00 1.00 H new ATOM 0 HG3 GLU B 176 -9.371 0.176 -8.879 1.00 1.00 H new ATOM 1358 N PRO B 177 -12.660 4.078 -8.995 1.00 1.00 N ATOM 1359 CA PRO B 177 -13.910 4.770 -8.569 1.00 1.00 C ATOM 1360 C PRO B 177 -14.390 4.294 -7.199 1.00 1.00 C ATOM 1361 O PRO B 177 -15.510 3.810 -7.059 1.00 1.00 O ATOM 1362 CB PRO B 177 -14.920 4.379 -9.653 1.00 1.00 C ATOM 1363 CG PRO B 177 -14.110 4.145 -10.880 1.00 1.00 C ATOM 1364 CD PRO B 177 -12.710 3.726 -10.420 1.00 1.00 C ATOM 0 HA PRO B 177 -13.769 5.846 -8.468 1.00 1.00 H new ATOM 0 HB2 PRO B 177 -15.473 3.483 -9.370 1.00 1.00 H new ATOM 0 HB3 PRO B 177 -15.653 5.170 -9.811 1.00 1.00 H new ATOM 0 HG2 PRO B 177 -14.561 3.369 -11.498 1.00 1.00 H new ATOM 0 HG3 PRO B 177 -14.062 5.048 -11.488 1.00 1.00 H new ATOM 0 HD2 PRO B 177 -12.548 2.658 -10.569 1.00 1.00 H new ATOM 0 HD3 PRO B 177 -11.936 4.248 -10.983 1.00 1.00 H new ATOM 1372 N LEU B 178 -13.520 4.422 -6.197 1.00 1.00 N ATOM 1373 CA LEU B 178 -13.860 3.990 -4.845 1.00 1.00 C ATOM 1374 C LEU B 178 -13.630 5.131 -3.855 1.00 1.00 C ATOM 1375 O LEU B 178 -12.700 5.920 -4.018 1.00 1.00 O ATOM 1376 CB LEU B 178 -13.020 2.762 -4.448 1.00 1.00 C ATOM 1377 CG LEU B 178 -11.640 2.851 -5.100 1.00 1.00 C ATOM 1378 CD1 LEU B 178 -10.830 4.003 -4.473 1.00 1.00 C ATOM 1379 CD2 LEU B 178 -10.900 1.531 -4.904 1.00 1.00 C ATOM 0 H LEU B 178 -12.585 4.817 -6.296 1.00 1.00 H new ATOM 0 HA LEU B 178 -14.914 3.712 -4.822 1.00 1.00 H new ATOM 0 HB2 LEU B 178 -12.918 2.714 -3.364 1.00 1.00 H new ATOM 0 HB3 LEU B 178 -13.523 1.848 -4.762 1.00 1.00 H new ATOM 0 HG LEU B 178 -11.759 3.046 -6.166 1.00 1.00 H new ATOM 0 HD11 LEU B 178 -9.849 4.057 -4.945 1.00 1.00 H new ATOM 0 HD12 LEU B 178 -11.358 4.944 -4.625 1.00 1.00 H new ATOM 0 HD13 LEU B 178 -10.709 3.824 -3.405 1.00 1.00 H new ATOM 0 HD21 LEU B 178 -9.916 1.593 -5.368 1.00 1.00 H new ATOM 0 HD22 LEU B 178 -10.786 1.332 -3.838 1.00 1.00 H new ATOM 0 HD23 LEU B 178 -11.468 0.723 -5.365 1.00 1.00 H new ATOM 1391 N PRO B 179 -14.450 5.227 -2.842 1.00 1.00 N ATOM 1392 CA PRO B 179 -14.330 6.299 -1.811 1.00 1.00 C ATOM 1393 C PRO B 179 -12.890 6.745 -1.605 1.00 1.00 C ATOM 1394 O PRO B 179 -12.000 5.926 -1.372 1.00 1.00 O ATOM 1395 CB PRO B 179 -14.880 5.633 -0.542 1.00 1.00 C ATOM 1396 CG PRO B 179 -15.830 4.579 -1.019 1.00 1.00 C ATOM 1397 CD PRO B 179 -15.380 4.166 -2.419 1.00 1.00 C ATOM 0 HA PRO B 179 -14.865 7.205 -2.097 1.00 1.00 H new ATOM 0 HB2 PRO B 179 -14.076 5.197 0.051 1.00 1.00 H new ATOM 0 HB3 PRO B 179 -15.387 6.359 0.093 1.00 1.00 H new ATOM 0 HG2 PRO B 179 -15.825 3.723 -0.345 1.00 1.00 H new ATOM 0 HG3 PRO B 179 -16.850 4.962 -1.040 1.00 1.00 H new ATOM 0 HD2 PRO B 179 -14.890 3.192 -2.406 1.00 1.00 H new ATOM 0 HD3 PRO B 179 -16.227 4.088 -3.100 1.00 1.00 H new TER 1405 PRO B 179