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+ -128:sc= -0.136 (180deg=-1.65!) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.341 K(o=-0.48,f=-4.5!) USER MOD Single : A 3 THR OG1 : rot 24:sc= 0.19 USER MOD Single : A 4 SER OG : rot 180:sc= -0.115 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00406 USER MOD Single : A 7 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.29) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0107) USER MOD Single : A 14 THR OG1 : rot 57:sc= 1.17 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -13:sc= 0.4 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 0.0893 (180deg=0.0577) USER MOD Single : A 24 ASN : amide:sc= -2.62! C(o=-2.6!,f=-2.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.7 USER MOD Single : A 33 GLN : amide:sc= -2.15 X(o=-2.1,f=-1.7!) USER MOD Single : A 34 HIS : no HE2:sc= 0.104 K(o=0.1,f=-0.47) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.162) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.718 X(o=-0.72,f=-0.9) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= -1.07 (180deg=-1.75) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= -8.09! (180deg=-8.3!) USER MOD Single : A 55 SER OG : rot -171:sc= -1.22 USER MOD Single : A 60 CYS SG : rot 68:sc= -4.44! USER MOD Single : A 63 TYR OH : rot 9:sc= -0.414 USER MOD Single : A 69 LYS NZ :NH3+ -145:sc= -1.79 (180deg=-4.53!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -18:sc= -2.15! USER MOD Single : B 175 SER OG : rot 56:sc= 0.649 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 15.372 -12.770 -0.707 1.00 1.00 N ATOM 2 CA THR A 3 14.827 -11.530 -1.265 1.00 1.00 C ATOM 3 C THR A 3 15.102 -10.350 -0.338 1.00 1.00 C ATOM 4 O THR A 3 14.849 -10.420 0.866 1.00 1.00 O ATOM 5 CB THR A 3 13.317 -11.680 -1.481 1.00 1.00 C ATOM 6 OG1 THR A 3 13.060 -12.850 -2.240 1.00 1.00 O ATOM 7 CG2 THR A 3 12.787 -10.450 -2.232 1.00 1.00 C ATOM 0 HA THR A 3 15.315 -11.337 -2.220 1.00 1.00 H new ATOM 0 HB THR A 3 12.816 -11.761 -0.516 1.00 1.00 H new ATOM 0 HG1 THR A 3 13.807 -13.476 -2.140 1.00 1.00 H new ATOM 0 HG21 THR A 3 11.713 -10.553 -2.387 1.00 1.00 H new ATOM 0 HG22 THR A 3 12.984 -9.553 -1.645 1.00 1.00 H new ATOM 0 HG23 THR A 3 13.287 -10.370 -3.197 1.00 1.00 H new ATOM 15 N SER A 4 15.619 -9.274 -0.908 1.00 1.00 N ATOM 16 CA SER A 4 15.921 -8.080 -0.128 1.00 1.00 C ATOM 17 C SER A 4 14.642 -7.463 0.412 1.00 1.00 C ATOM 18 O SER A 4 13.560 -7.675 -0.131 1.00 1.00 O ATOM 19 CB SER A 4 16.658 -7.055 -0.992 1.00 1.00 C ATOM 20 OG SER A 4 16.606 -5.784 -0.359 1.00 1.00 O ATOM 0 H SER A 4 15.838 -9.200 -1.901 1.00 1.00 H new ATOM 0 HA SER A 4 16.558 -8.369 0.708 1.00 1.00 H new ATOM 0 HB2 SER A 4 17.694 -7.361 -1.135 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.202 -7.001 -1.981 1.00 1.00 H new ATOM 0 HG SER A 4 17.079 -5.125 -0.909 1.00 1.00 H new ATOM 26 N THR A 5 14.774 -6.706 1.492 1.00 1.00 N ATOM 27 CA THR A 5 13.619 -6.072 2.104 1.00 1.00 C ATOM 28 C THR A 5 12.966 -5.116 1.116 1.00 1.00 C ATOM 29 O THR A 5 11.743 -5.065 1.004 1.00 1.00 O ATOM 30 CB THR A 5 14.042 -5.289 3.354 1.00 1.00 C ATOM 31 OG1 THR A 5 14.933 -6.080 4.124 1.00 1.00 O ATOM 32 CG2 THR A 5 12.811 -4.960 4.208 1.00 1.00 C ATOM 0 H THR A 5 15.662 -6.518 1.958 1.00 1.00 H new ATOM 0 HA THR A 5 12.909 -6.849 2.387 1.00 1.00 H new ATOM 0 HB THR A 5 14.530 -4.364 3.045 1.00 1.00 H new ATOM 0 HG1 THR A 5 15.206 -5.582 4.922 1.00 1.00 H new ATOM 0 HG21 THR A 5 13.120 -4.404 5.093 1.00 1.00 H new ATOM 0 HG22 THR A 5 12.115 -4.357 3.626 1.00 1.00 H new ATOM 0 HG23 THR A 5 12.322 -5.885 4.513 1.00 1.00 H new ATOM 40 N LEU A 6 13.789 -4.351 0.403 1.00 1.00 N ATOM 41 CA LEU A 6 13.271 -3.393 -0.562 1.00 1.00 C ATOM 42 C LEU A 6 12.569 -4.109 -1.713 1.00 1.00 C ATOM 43 O LEU A 6 11.490 -3.709 -2.149 1.00 1.00 O ATOM 44 CB LEU A 6 14.438 -2.547 -1.114 1.00 1.00 C ATOM 45 CG LEU A 6 13.953 -1.137 -1.507 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.777 -1.246 -2.481 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.524 -0.343 -0.248 1.00 1.00 C ATOM 0 H LEU A 6 14.806 -4.377 0.476 1.00 1.00 H new ATOM 0 HA LEU A 6 12.546 -2.749 -0.064 1.00 1.00 H new ATOM 0 HB2 LEU A 6 15.224 -2.470 -0.363 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.873 -3.042 -1.982 1.00 1.00 H new ATOM 0 HG LEU A 6 14.773 -0.606 -1.991 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.438 -0.247 -2.755 1.00 1.00 H new ATOM 0 HD12 LEU A 6 13.095 -1.780 -3.376 1.00 1.00 H new ATOM 0 HD13 LEU A 6 11.960 -1.788 -2.006 1.00 1.00 H new ATOM 0 HD21 LEU A 6 13.184 0.650 -0.542 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.713 -0.869 0.255 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.372 -0.250 0.430 1.00 1.00 H new ATOM 59 N GLN A 7 13.191 -5.169 -2.203 1.00 1.00 N ATOM 60 CA GLN A 7 12.615 -5.907 -3.310 1.00 1.00 C ATOM 61 C GLN A 7 11.259 -6.473 -2.926 1.00 1.00 C ATOM 62 O GLN A 7 10.297 -6.388 -3.693 1.00 1.00 O ATOM 63 CB GLN A 7 13.560 -7.040 -3.727 1.00 1.00 C ATOM 64 CG GLN A 7 12.986 -7.787 -4.938 1.00 1.00 C ATOM 65 CD GLN A 7 12.851 -6.838 -6.123 1.00 1.00 C ATOM 66 OE1 GLN A 7 13.850 -6.343 -6.642 1.00 1.00 O ATOM 67 NE2 GLN A 7 11.662 -6.542 -6.573 1.00 1.00 N ATOM 0 H GLN A 7 14.080 -5.531 -1.858 1.00 1.00 H new ATOM 0 HA GLN A 7 12.479 -5.227 -4.151 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.541 -6.634 -3.972 1.00 1.00 H new ATOM 0 HB3 GLN A 7 13.700 -7.732 -2.896 1.00 1.00 H new ATOM 0 HG2 GLN A 7 13.636 -8.621 -5.202 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.013 -8.209 -4.687 1.00 1.00 H new ATOM 0 HE21 GLN A 7 10.836 -6.954 -6.140 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.559 -5.898 -7.358 1.00 1.00 H new ATOM 76 N LYS A 8 11.187 -7.054 -1.742 1.00 1.00 N ATOM 77 CA LYS A 8 9.939 -7.638 -1.282 1.00 1.00 C ATOM 78 C LYS A 8 8.876 -6.559 -1.118 1.00 1.00 C ATOM 79 O LYS A 8 7.720 -6.748 -1.497 1.00 1.00 O ATOM 80 CB LYS A 8 10.157 -8.359 0.056 1.00 1.00 C ATOM 81 CG LYS A 8 9.138 -9.495 0.211 1.00 1.00 C ATOM 82 CD LYS A 8 9.458 -10.280 1.476 1.00 1.00 C ATOM 83 CE LYS A 8 8.551 -11.510 1.565 1.00 1.00 C ATOM 84 NZ LYS A 8 9.096 -12.590 0.688 1.00 1.00 N ATOM 0 H LYS A 8 11.966 -7.134 -1.089 1.00 1.00 H new ATOM 0 HA LYS A 8 9.598 -8.358 -2.026 1.00 1.00 H new ATOM 0 HB2 LYS A 8 11.170 -8.759 0.102 1.00 1.00 H new ATOM 0 HB3 LYS A 8 10.055 -7.653 0.880 1.00 1.00 H new ATOM 0 HG2 LYS A 8 8.128 -9.089 0.265 1.00 1.00 H new ATOM 0 HG3 LYS A 8 9.172 -10.152 -0.658 1.00 1.00 H new ATOM 0 HD2 LYS A 8 10.504 -10.587 1.470 1.00 1.00 H new ATOM 0 HD3 LYS A 8 9.317 -9.648 2.353 1.00 1.00 H new ATOM 0 HE2 LYS A 8 8.492 -11.858 2.596 1.00 1.00 H new ATOM 0 HE3 LYS A 8 7.538 -11.252 1.257 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 8.531 -13.455 0.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 9.052 -12.286 -0.306 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 10.084 -12.782 0.948 1.00 1.00 H new ATOM 98 N ALA A 9 9.275 -5.427 -0.547 1.00 1.00 N ATOM 99 CA ALA A 9 8.345 -4.331 -0.333 1.00 1.00 C ATOM 100 C ALA A 9 7.714 -3.920 -1.661 1.00 1.00 C ATOM 101 O ALA A 9 6.502 -3.713 -1.748 1.00 1.00 O ATOM 102 CB ALA A 9 9.085 -3.138 0.299 1.00 1.00 C ATOM 0 H ALA A 9 10.227 -5.248 -0.228 1.00 1.00 H new ATOM 0 HA ALA A 9 7.555 -4.655 0.345 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.385 -2.318 0.458 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.513 -3.440 1.255 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.882 -2.810 -0.368 1.00 1.00 H new ATOM 108 N ILE A 10 8.553 -3.827 -2.693 1.00 1.00 N ATOM 109 CA ILE A 10 8.084 -3.453 -4.024 1.00 1.00 C ATOM 110 C ILE A 10 7.103 -4.496 -4.552 1.00 1.00 C ATOM 111 O ILE A 10 6.096 -4.165 -5.173 1.00 1.00 O ATOM 112 CB ILE A 10 9.256 -3.300 -4.995 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.092 -2.092 -4.580 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.715 -3.066 -6.410 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.400 -2.086 -5.369 1.00 1.00 C ATOM 0 H ILE A 10 9.556 -4.005 -2.632 1.00 1.00 H new ATOM 0 HA ILE A 10 7.575 -2.492 -3.945 1.00 1.00 H new ATOM 0 HB ILE A 10 9.867 -4.202 -4.977 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.538 -1.172 -4.765 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.300 -2.129 -3.511 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.548 -2.957 -7.105 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.102 -3.916 -6.710 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.110 -2.159 -6.423 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.999 -1.224 -5.074 1.00 1.00 H new ATOM 0 HD12 ILE A 10 11.954 -3.001 -5.161 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.181 -2.028 -6.435 1.00 1.00 H new ATOM 127 N ASP A 11 7.425 -5.758 -4.330 1.00 1.00 N ATOM 128 CA ASP A 11 6.575 -6.835 -4.806 1.00 1.00 C ATOM 129 C ASP A 11 5.183 -6.765 -4.176 1.00 1.00 C ATOM 130 O ASP A 11 4.168 -6.913 -4.867 1.00 1.00 O ATOM 131 CB ASP A 11 7.217 -8.177 -4.455 1.00 1.00 C ATOM 132 CG ASP A 11 6.585 -9.293 -5.278 1.00 1.00 C ATOM 133 OD1 ASP A 11 6.192 -9.029 -6.401 1.00 1.00 O ATOM 134 OD2 ASP A 11 6.500 -10.390 -4.769 1.00 1.00 O ATOM 0 H ASP A 11 8.260 -6.061 -3.828 1.00 1.00 H new ATOM 0 HA ASP A 11 6.469 -6.734 -5.886 1.00 1.00 H new ATOM 0 HB2 ASP A 11 8.289 -8.137 -4.646 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.090 -8.382 -3.392 1.00 1.00 H new ATOM 139 N LEU A 12 5.137 -6.561 -2.856 1.00 1.00 N ATOM 140 CA LEU A 12 3.868 -6.511 -2.136 1.00 1.00 C ATOM 141 C LEU A 12 3.005 -5.347 -2.609 1.00 1.00 C ATOM 142 O LEU A 12 1.802 -5.505 -2.834 1.00 1.00 O ATOM 143 CB LEU A 12 4.152 -6.333 -0.644 1.00 1.00 C ATOM 144 CG LEU A 12 4.933 -7.538 -0.101 1.00 1.00 C ATOM 145 CD1 LEU A 12 5.531 -7.175 1.259 1.00 1.00 C ATOM 146 CD2 LEU A 12 4.012 -8.765 0.042 1.00 1.00 C ATOM 0 H LEU A 12 5.961 -6.429 -2.270 1.00 1.00 H new ATOM 0 HA LEU A 12 3.331 -7.440 -2.325 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.723 -5.419 -0.482 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.214 -6.224 -0.099 1.00 1.00 H new ATOM 0 HG LEU A 12 5.730 -7.790 -0.801 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.087 -8.027 1.651 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.203 -6.324 1.146 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.730 -6.915 1.951 1.00 1.00 H new ATOM 0 HD21 LEU A 12 4.586 -9.608 0.428 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.200 -8.532 0.731 1.00 1.00 H new ATOM 0 HD23 LEU A 12 3.598 -9.024 -0.932 1.00 1.00 H new ATOM 158 N VAL A 13 3.611 -4.177 -2.762 1.00 1.00 N ATOM 159 CA VAL A 13 2.852 -3.015 -3.209 1.00 1.00 C ATOM 160 C VAL A 13 2.439 -3.164 -4.671 1.00 1.00 C ATOM 161 O VAL A 13 1.358 -2.729 -5.069 1.00 1.00 O ATOM 162 CB VAL A 13 3.669 -1.747 -3.020 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.939 -1.852 -3.842 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.851 -0.541 -3.466 1.00 1.00 C ATOM 0 H VAL A 13 4.602 -4.008 -2.588 1.00 1.00 H new ATOM 0 HA VAL A 13 1.948 -2.946 -2.604 1.00 1.00 H new ATOM 0 HB VAL A 13 3.929 -1.624 -1.968 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.532 -0.947 -3.713 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.517 -2.715 -3.510 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.682 -1.970 -4.895 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.438 0.367 -3.330 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.588 -0.649 -4.518 1.00 1.00 H new ATOM 0 HG23 VAL A 13 1.941 -0.478 -2.869 1.00 1.00 H new ATOM 174 N THR A 14 3.296 -3.790 -5.467 1.00 1.00 N ATOM 175 CA THR A 14 2.989 -3.995 -6.879 1.00 1.00 C ATOM 176 C THR A 14 1.691 -4.779 -7.000 1.00 1.00 C ATOM 177 O THR A 14 0.760 -4.387 -7.717 1.00 1.00 O ATOM 178 CB THR A 14 4.137 -4.765 -7.545 1.00 1.00 C ATOM 179 OG1 THR A 14 5.318 -3.973 -7.518 1.00 1.00 O ATOM 180 CG2 THR A 14 3.777 -5.114 -8.990 1.00 1.00 C ATOM 0 H THR A 14 4.197 -4.161 -5.166 1.00 1.00 H new ATOM 0 HA THR A 14 2.873 -3.032 -7.377 1.00 1.00 H new ATOM 0 HB THR A 14 4.308 -5.691 -6.997 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.532 -3.736 -6.591 1.00 1.00 H new ATOM 0 HG21 THR A 14 4.601 -5.660 -9.449 1.00 1.00 H new ATOM 0 HG22 THR A 14 2.880 -5.734 -9.002 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.592 -4.198 -9.550 1.00 1.00 H new ATOM 188 N LYS A 15 1.613 -5.876 -6.274 1.00 1.00 N ATOM 189 CA LYS A 15 0.406 -6.671 -6.304 1.00 1.00 C ATOM 190 C LYS A 15 -0.751 -5.852 -5.759 1.00 1.00 C ATOM 191 O LYS A 15 -1.854 -5.894 -6.278 1.00 1.00 O ATOM 192 CB LYS A 15 0.598 -7.942 -5.476 1.00 1.00 C ATOM 193 CG LYS A 15 -0.602 -8.908 -5.676 1.00 1.00 C ATOM 194 CD LYS A 15 -0.104 -10.290 -6.114 1.00 1.00 C ATOM 195 CE LYS A 15 0.793 -10.900 -5.027 1.00 1.00 C ATOM 196 NZ LYS A 15 0.694 -12.390 -5.095 1.00 1.00 N ATOM 0 H LYS A 15 2.354 -6.230 -5.669 1.00 1.00 H new ATOM 0 HA LYS A 15 0.184 -6.959 -7.332 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.524 -8.437 -5.769 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.694 -7.685 -4.421 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.167 -8.995 -4.748 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -1.282 -8.504 -6.426 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -0.953 -10.946 -6.306 1.00 1.00 H new ATOM 0 HD3 LYS A 15 0.451 -10.205 -7.048 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.826 -10.584 -5.170 1.00 1.00 H new ATOM 0 HE3 LYS A 15 0.485 -10.547 -4.043 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 1.299 -12.812 -4.362 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -0.293 -12.680 -4.939 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 1.007 -12.716 -6.032 1.00 1.00 H new ATOM 210 N ALA A 16 -0.498 -5.099 -4.708 1.00 1.00 N ATOM 211 CA ALA A 16 -1.548 -4.286 -4.122 1.00 1.00 C ATOM 212 C ALA A 16 -2.211 -3.413 -5.175 1.00 1.00 C ATOM 213 O ALA A 16 -3.434 -3.271 -5.200 1.00 1.00 O ATOM 214 CB ALA A 16 -0.955 -3.392 -3.033 1.00 1.00 C ATOM 0 H ALA A 16 0.409 -5.032 -4.247 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.298 -4.952 -3.695 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.744 -2.782 -2.593 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.503 -4.012 -2.259 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.195 -2.743 -3.469 1.00 1.00 H new ATOM 220 N THR A 17 -1.399 -2.820 -6.034 1.00 1.00 N ATOM 221 CA THR A 17 -1.931 -1.951 -7.064 1.00 1.00 C ATOM 222 C THR A 17 -2.768 -2.747 -8.053 1.00 1.00 C ATOM 223 O THR A 17 -3.815 -2.283 -8.515 1.00 1.00 O ATOM 224 CB THR A 17 -0.787 -1.241 -7.810 1.00 1.00 C ATOM 225 OG1 THR A 17 0.127 -2.208 -8.310 1.00 1.00 O ATOM 226 CG2 THR A 17 -0.034 -0.287 -6.872 1.00 1.00 C ATOM 0 H THR A 17 -0.384 -2.923 -6.038 1.00 1.00 H new ATOM 0 HA THR A 17 -2.563 -1.203 -6.585 1.00 1.00 H new ATOM 0 HB THR A 17 -1.218 -0.667 -8.631 1.00 1.00 H new ATOM 0 HG1 THR A 17 -0.057 -3.077 -7.896 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.770 0.204 -7.421 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.723 0.465 -6.488 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.387 -0.852 -6.040 1.00 1.00 H new ATOM 234 N GLU A 18 -2.331 -3.963 -8.355 1.00 1.00 N ATOM 235 CA GLU A 18 -3.089 -4.798 -9.279 1.00 1.00 C ATOM 236 C GLU A 18 -4.441 -5.152 -8.661 1.00 1.00 C ATOM 237 O GLU A 18 -5.473 -5.149 -9.337 1.00 1.00 O ATOM 238 CB GLU A 18 -2.274 -6.068 -9.645 1.00 1.00 C ATOM 239 CG GLU A 18 -2.778 -7.315 -8.894 1.00 1.00 C ATOM 240 CD GLU A 18 -1.881 -8.522 -9.182 1.00 1.00 C ATOM 241 OE1 GLU A 18 -0.674 -8.353 -9.189 1.00 1.00 O ATOM 242 OE2 GLU A 18 -2.416 -9.605 -9.384 1.00 1.00 O ATOM 0 H GLU A 18 -1.479 -4.385 -7.986 1.00 1.00 H new ATOM 0 HA GLU A 18 -3.273 -4.249 -10.203 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.337 -6.242 -10.719 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -1.222 -5.904 -9.410 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.796 -7.117 -7.822 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.802 -7.537 -9.195 1.00 1.00 H new ATOM 249 N GLU A 19 -4.423 -5.458 -7.367 1.00 1.00 N ATOM 250 CA GLU A 19 -5.638 -5.816 -6.658 1.00 1.00 C ATOM 251 C GLU A 19 -6.585 -4.630 -6.585 1.00 1.00 C ATOM 252 O GLU A 19 -7.791 -4.772 -6.769 1.00 1.00 O ATOM 253 CB GLU A 19 -5.282 -6.298 -5.243 1.00 1.00 C ATOM 254 CG GLU A 19 -4.666 -7.705 -5.295 1.00 1.00 C ATOM 255 CD GLU A 19 -5.687 -8.726 -5.795 1.00 1.00 C ATOM 256 OE1 GLU A 19 -6.870 -8.454 -5.694 1.00 1.00 O ATOM 257 OE2 GLU A 19 -5.265 -9.770 -6.269 1.00 1.00 O ATOM 0 H GLU A 19 -3.580 -5.464 -6.793 1.00 1.00 H new ATOM 0 HA GLU A 19 -6.139 -6.619 -7.199 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.580 -5.604 -4.781 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -6.176 -6.308 -4.620 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -3.796 -7.702 -5.952 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.315 -7.990 -4.303 1.00 1.00 H new ATOM 264 N ASP A 20 -6.031 -3.462 -6.332 1.00 1.00 N ATOM 265 CA ASP A 20 -6.839 -2.266 -6.254 1.00 1.00 C ATOM 266 C ASP A 20 -7.578 -2.062 -7.567 1.00 1.00 C ATOM 267 O ASP A 20 -8.758 -1.717 -7.581 1.00 1.00 O ATOM 268 CB ASP A 20 -5.949 -1.061 -5.965 1.00 1.00 C ATOM 269 CG ASP A 20 -6.805 0.138 -5.575 1.00 1.00 C ATOM 270 OD1 ASP A 20 -8.013 0.050 -5.722 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.242 1.127 -5.139 1.00 1.00 O ATOM 0 H ASP A 20 -5.033 -3.317 -6.178 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.565 -2.373 -5.448 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.252 -1.298 -5.161 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.351 -0.821 -6.844 1.00 1.00 H new ATOM 276 N LYS A 21 -6.880 -2.299 -8.673 1.00 1.00 N ATOM 277 CA LYS A 21 -7.497 -2.157 -9.984 1.00 1.00 C ATOM 278 C LYS A 21 -8.583 -3.204 -10.170 1.00 1.00 C ATOM 279 O LYS A 21 -9.635 -2.932 -10.750 1.00 1.00 O ATOM 280 CB LYS A 21 -6.451 -2.300 -11.080 1.00 1.00 C ATOM 281 CG LYS A 21 -5.482 -1.109 -11.030 1.00 1.00 C ATOM 282 CD LYS A 21 -4.358 -1.279 -12.080 1.00 1.00 C ATOM 283 CE LYS A 21 -2.982 -1.098 -11.430 1.00 1.00 C ATOM 284 NZ LYS A 21 -1.944 -0.984 -12.490 1.00 1.00 N ATOM 0 H LYS A 21 -5.901 -2.586 -8.688 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.944 -1.165 -10.049 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.902 -3.233 -10.953 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.936 -2.346 -12.055 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -6.025 -0.183 -11.217 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -5.048 -1.028 -10.034 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.424 -2.267 -12.535 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.487 -0.550 -12.880 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.978 -0.205 -10.805 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.761 -1.944 -10.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -1.010 -0.861 -12.049 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -1.943 -1.848 -13.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -2.153 -0.163 -13.093 1.00 1.00 H new ATOM 298 N ALA A 22 -8.315 -4.411 -9.678 1.00 1.00 N ATOM 299 CA ALA A 22 -9.271 -5.502 -9.801 1.00 1.00 C ATOM 300 C ALA A 22 -10.440 -5.299 -8.851 1.00 1.00 C ATOM 301 O ALA A 22 -11.220 -6.215 -8.612 1.00 1.00 O ATOM 302 CB ALA A 22 -8.586 -6.840 -9.506 1.00 1.00 C ATOM 0 H ALA A 22 -7.450 -4.655 -9.195 1.00 1.00 H new ATOM 0 HA ALA A 22 -9.650 -5.513 -10.823 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -9.311 -7.649 -9.601 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -7.773 -6.996 -10.215 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -8.186 -6.828 -8.492 1.00 1.00 H new ATOM 308 N LYS A 23 -10.540 -4.088 -8.313 1.00 1.00 N ATOM 309 CA LYS A 23 -11.620 -3.751 -7.385 1.00 1.00 C ATOM 310 C LYS A 23 -11.500 -4.576 -6.112 1.00 1.00 C ATOM 311 O LYS A 23 -12.500 -4.879 -5.464 1.00 1.00 O ATOM 312 CB LYS A 23 -12.980 -4.006 -8.031 1.00 1.00 C ATOM 313 CG LYS A 23 -13.040 -3.381 -9.431 1.00 1.00 C ATOM 314 CD LYS A 23 -12.930 -1.859 -9.327 1.00 1.00 C ATOM 315 CE LYS A 23 -13.210 -1.232 -10.690 1.00 1.00 C ATOM 316 NZ LYS A 23 -13.170 0.249 -10.550 1.00 1.00 N ATOM 0 H LYS A 23 -9.890 -3.324 -8.501 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.537 -2.693 -7.136 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -13.161 -5.079 -8.098 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.769 -3.588 -7.406 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -12.231 -3.771 -10.048 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.975 -3.654 -9.921 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.639 -1.482 -8.590 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.934 -1.579 -8.984 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.469 -1.563 -11.418 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -14.185 -1.551 -11.060 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -13.241 0.689 -11.490 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -13.966 0.564 -9.960 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -12.275 0.531 -10.103 1.00 1.00 H new ATOM 330 N ASN A 24 -10.270 -4.929 -5.749 1.00 1.00 N ATOM 331 CA ASN A 24 -10.030 -5.714 -4.540 1.00 1.00 C ATOM 332 C ASN A 24 -9.482 -4.805 -3.437 1.00 1.00 C ATOM 333 O ASN A 24 -8.319 -4.897 -3.054 1.00 1.00 O ATOM 334 CB ASN A 24 -9.046 -6.856 -4.857 1.00 1.00 C ATOM 335 CG ASN A 24 -9.717 -8.225 -4.794 1.00 1.00 C ATOM 336 OD1 ASN A 24 -10.880 -8.376 -5.154 1.00 1.00 O ATOM 337 ND2 ASN A 24 -9.023 -9.232 -4.350 1.00 1.00 N ATOM 0 H ASN A 24 -9.428 -4.686 -6.271 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.965 -6.151 -4.189 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.624 -6.705 -5.850 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.217 -6.826 -4.150 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.445 -10.159 -4.298 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -8.057 -9.094 -4.053 1.00 1.00 H new ATOM 344 N TYR A 25 -10.320 -3.923 -2.940 1.00 1.00 N ATOM 345 CA TYR A 25 -9.911 -3.001 -1.898 1.00 1.00 C ATOM 346 C TYR A 25 -9.384 -3.759 -0.692 1.00 1.00 C ATOM 347 O TYR A 25 -8.356 -3.401 -0.146 1.00 1.00 O ATOM 348 CB TYR A 25 -11.090 -2.137 -1.466 1.00 1.00 C ATOM 349 CG TYR A 25 -11.870 -1.701 -2.686 1.00 1.00 C ATOM 350 CD1 TYR A 25 -11.200 -1.227 -3.830 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.270 -1.780 -2.675 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.940 -0.841 -4.954 1.00 1.00 C ATOM 353 CE2 TYR A 25 -14.000 -1.388 -3.803 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.330 -0.921 -4.943 1.00 1.00 C ATOM 355 OH TYR A 25 -14.060 -0.536 -6.054 1.00 1.00 O ATOM 0 H TYR A 25 -11.290 -3.823 -3.239 1.00 1.00 H new ATOM 0 HA TYR A 25 -9.120 -2.367 -2.299 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.736 -2.697 -0.789 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.734 -1.265 -0.918 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -10.122 -1.162 -3.840 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.784 -2.143 -1.797 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.430 -0.479 -5.834 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -15.078 -1.445 -3.795 1.00 1.00 H new ATOM 0 HH TYR A 25 -15.016 -0.658 -5.876 1.00 1.00 H new ATOM 365 N GLU A 26 -10.090 -4.803 -0.282 1.00 1.00 N ATOM 366 CA GLU A 26 -9.664 -5.577 0.878 1.00 1.00 C ATOM 367 C GLU A 26 -8.287 -6.201 0.675 1.00 1.00 C ATOM 368 O GLU A 26 -7.380 -6.019 1.494 1.00 1.00 O ATOM 369 CB GLU A 26 -10.680 -6.689 1.148 1.00 1.00 C ATOM 370 CG GLU A 26 -11.890 -6.113 1.874 1.00 1.00 C ATOM 371 CD GLU A 26 -12.950 -7.193 2.058 1.00 1.00 C ATOM 372 OE1 GLU A 26 -12.690 -8.329 1.698 1.00 1.00 O ATOM 373 OE2 GLU A 26 -14.020 -6.869 2.551 1.00 1.00 O ATOM 0 H GLU A 26 -10.948 -5.131 -0.726 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.604 -4.895 1.726 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -10.991 -7.147 0.209 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -10.223 -7.475 1.749 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.588 -5.719 2.844 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -12.303 -5.280 1.306 1.00 1.00 H new ATOM 380 N GLU A 27 -8.127 -6.937 -0.415 1.00 1.00 N ATOM 381 CA GLU A 27 -6.851 -7.584 -0.680 1.00 1.00 C ATOM 382 C GLU A 27 -5.759 -6.538 -0.871 1.00 1.00 C ATOM 383 O GLU A 27 -4.662 -6.654 -0.319 1.00 1.00 O ATOM 384 CB GLU A 27 -6.969 -8.464 -1.934 1.00 1.00 C ATOM 385 CG GLU A 27 -5.870 -9.533 -1.957 1.00 1.00 C ATOM 386 CD GLU A 27 -6.184 -10.590 -3.012 1.00 1.00 C ATOM 387 OE1 GLU A 27 -7.319 -10.640 -3.450 1.00 1.00 O ATOM 388 OE2 GLU A 27 -5.281 -11.330 -3.365 1.00 1.00 O ATOM 0 H GLU A 27 -8.849 -7.099 -1.117 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.585 -8.210 0.172 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -7.948 -8.943 -1.957 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -6.897 -7.843 -2.827 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.907 -9.070 -2.171 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -5.787 -10.001 -0.976 1.00 1.00 H new ATOM 395 N ALA A 28 -6.074 -5.515 -1.650 1.00 1.00 N ATOM 396 CA ALA A 28 -5.118 -4.450 -1.911 1.00 1.00 C ATOM 397 C ALA A 28 -4.663 -3.816 -0.601 1.00 1.00 C ATOM 398 O ALA A 28 -3.481 -3.532 -0.424 1.00 1.00 O ATOM 399 CB ALA A 28 -5.755 -3.380 -2.801 1.00 1.00 C ATOM 0 H ALA A 28 -6.977 -5.400 -2.110 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.254 -4.877 -2.421 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -5.032 -2.587 -2.991 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -6.059 -3.828 -3.747 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.628 -2.962 -2.300 1.00 1.00 H new ATOM 405 N LEU A 29 -5.606 -3.592 0.314 1.00 1.00 N ATOM 406 CA LEU A 29 -5.287 -2.976 1.598 1.00 1.00 C ATOM 407 C LEU A 29 -4.279 -3.815 2.369 1.00 1.00 C ATOM 408 O LEU A 29 -3.302 -3.288 2.908 1.00 1.00 O ATOM 409 CB LEU A 29 -6.597 -2.835 2.416 1.00 1.00 C ATOM 410 CG LEU A 29 -6.719 -1.449 3.052 1.00 1.00 C ATOM 411 CD1 LEU A 29 -8.164 -1.186 3.471 1.00 1.00 C ATOM 412 CD2 LEU A 29 -5.817 -1.343 4.282 1.00 1.00 C ATOM 0 H LEU A 29 -6.591 -3.827 0.190 1.00 1.00 H new ATOM 0 HA LEU A 29 -4.842 -1.996 1.426 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.453 -3.014 1.766 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -6.624 -3.597 3.195 1.00 1.00 H new ATOM 0 HG LEU A 29 -6.411 -0.709 2.313 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -8.238 -0.197 3.922 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -8.811 -1.235 2.595 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -8.476 -1.939 4.195 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -5.916 -0.351 4.722 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -6.110 -2.095 5.014 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -4.780 -1.507 3.988 1.00 1.00 H new ATOM 424 N ARG A 30 -4.518 -5.112 2.429 1.00 1.00 N ATOM 425 CA ARG A 30 -3.598 -5.979 3.151 1.00 1.00 C ATOM 426 C ARG A 30 -2.196 -5.871 2.543 1.00 1.00 C ATOM 427 O ARG A 30 -1.196 -5.777 3.263 1.00 1.00 O ATOM 428 CB ARG A 30 -4.100 -7.437 3.094 1.00 1.00 C ATOM 429 CG ARG A 30 -4.983 -7.753 4.311 1.00 1.00 C ATOM 430 CD ARG A 30 -6.293 -6.980 4.201 1.00 1.00 C ATOM 431 NE ARG A 30 -7.132 -7.244 5.363 1.00 1.00 N ATOM 432 CZ ARG A 30 -6.994 -6.549 6.486 1.00 1.00 C ATOM 433 NH1 ARG A 30 -6.095 -5.607 6.566 1.00 1.00 N ATOM 434 NH2 ARG A 30 -7.758 -6.812 7.508 1.00 1.00 N ATOM 0 H ARG A 30 -5.316 -5.581 2.001 1.00 1.00 H new ATOM 0 HA ARG A 30 -3.551 -5.666 4.194 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -4.666 -7.597 2.176 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -3.250 -8.119 3.068 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -5.183 -8.823 4.361 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -4.464 -7.482 5.231 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -6.088 -5.912 4.126 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -6.819 -7.268 3.291 1.00 1.00 H new ATOM 0 HE ARG A 30 -7.839 -7.977 5.313 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -5.497 -5.403 5.765 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -5.990 -5.074 7.429 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -8.459 -7.550 7.444 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -7.655 -6.280 8.372 1.00 1.00 H new ATOM 448 N LEU A 31 -2.130 -5.892 1.222 1.00 1.00 N ATOM 449 CA LEU A 31 -0.849 -5.807 0.536 1.00 1.00 C ATOM 450 C LEU A 31 -0.185 -4.451 0.783 1.00 1.00 C ATOM 451 O LEU A 31 1.029 -4.374 0.981 1.00 1.00 O ATOM 452 CB LEU A 31 -1.057 -6.018 -0.961 1.00 1.00 C ATOM 453 CG LEU A 31 -1.673 -7.404 -1.194 1.00 1.00 C ATOM 454 CD1 LEU A 31 -2.199 -7.485 -2.623 1.00 1.00 C ATOM 455 CD2 LEU A 31 -0.632 -8.514 -0.966 1.00 1.00 C ATOM 0 H LEU A 31 -2.940 -5.966 0.607 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.193 -6.584 0.928 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.711 -5.244 -1.362 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.106 -5.936 -1.488 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.489 -7.547 -0.485 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -2.638 -8.468 -2.794 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.958 -6.717 -2.776 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -1.378 -7.328 -3.322 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -1.094 -9.486 -1.137 1.00 1.00 H new ATOM 0 HD22 LEU A 31 0.200 -8.380 -1.657 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -0.264 -8.463 0.059 1.00 1.00 H new ATOM 467 N TYR A 32 -0.985 -3.385 0.760 1.00 1.00 N ATOM 468 CA TYR A 32 -0.457 -2.038 0.972 1.00 1.00 C ATOM 469 C TYR A 32 0.216 -1.919 2.340 1.00 1.00 C ATOM 470 O TYR A 32 1.335 -1.411 2.454 1.00 1.00 O ATOM 471 CB TYR A 32 -1.604 -1.003 0.873 1.00 1.00 C ATOM 472 CG TYR A 32 -1.812 -0.573 -0.567 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.772 0.061 -1.261 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.043 -0.795 -1.204 1.00 1.00 C ATOM 475 CE1 TYR A 32 -0.957 0.462 -2.586 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.226 -0.391 -2.529 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.184 0.233 -3.218 1.00 1.00 C ATOM 478 OH TYR A 32 -2.366 0.616 -4.524 1.00 1.00 O ATOM 0 H TYR A 32 -1.991 -3.427 0.598 1.00 1.00 H new ATOM 0 HA TYR A 32 0.288 -1.841 0.201 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.525 -1.434 1.266 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.371 -0.134 1.488 1.00 1.00 H new ATOM 0 HD1 TYR A 32 0.173 0.240 -0.770 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.848 -1.278 -0.670 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.155 0.948 -3.122 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.173 -0.561 -3.020 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.274 0.383 -4.810 1.00 1.00 H new ATOM 488 N GLN A 33 -0.473 -2.384 3.372 1.00 1.00 N ATOM 489 CA GLN A 33 0.066 -2.309 4.721 1.00 1.00 C ATOM 490 C GLN A 33 1.338 -3.143 4.846 1.00 1.00 C ATOM 491 O GLN A 33 2.333 -2.704 5.436 1.00 1.00 O ATOM 492 CB GLN A 33 -0.983 -2.809 5.716 1.00 1.00 C ATOM 493 CG GLN A 33 -2.165 -1.839 5.742 1.00 1.00 C ATOM 494 CD GLN A 33 -3.246 -2.361 6.684 1.00 1.00 C ATOM 495 OE1 GLN A 33 -3.049 -3.375 7.353 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.382 -1.726 6.774 1.00 1.00 N ATOM 0 H GLN A 33 -1.396 -2.813 3.303 1.00 1.00 H new ATOM 0 HA GLN A 33 0.316 -1.271 4.940 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.323 -3.805 5.433 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -0.545 -2.892 6.711 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -1.831 -0.854 6.068 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -2.572 -1.721 4.738 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.542 -0.886 6.218 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.110 -2.070 7.400 1.00 1.00 H new ATOM 505 N HIS A 34 1.302 -4.345 4.290 1.00 1.00 N ATOM 506 CA HIS A 34 2.460 -5.231 4.354 1.00 1.00 C ATOM 507 C HIS A 34 3.668 -4.589 3.665 1.00 1.00 C ATOM 508 O HIS A 34 4.766 -4.528 4.229 1.00 1.00 O ATOM 509 CB HIS A 34 2.112 -6.575 3.673 1.00 1.00 C ATOM 510 CG HIS A 34 1.580 -7.549 4.692 1.00 1.00 C ATOM 511 ND1 HIS A 34 0.267 -7.994 4.680 1.00 1.00 N ATOM 512 CD2 HIS A 34 2.174 -8.161 5.765 1.00 1.00 C ATOM 513 CE1 HIS A 34 0.115 -8.835 5.719 1.00 1.00 C ATOM 514 NE2 HIS A 34 1.249 -8.973 6.413 1.00 1.00 N ATOM 0 H HIS A 34 0.496 -4.728 3.795 1.00 1.00 H new ATOM 0 HA HIS A 34 2.717 -5.407 5.399 1.00 1.00 H new ATOM 0 HB2 HIS A 34 1.370 -6.414 2.891 1.00 1.00 H new ATOM 0 HB3 HIS A 34 2.998 -6.988 3.192 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -0.453 -7.732 4.006 1.00 1.00 H new ATOM 0 HD2 HIS A 34 3.204 -8.032 6.062 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -0.810 -9.337 5.962 1.00 1.00 H new ATOM 523 N ALA A 35 3.450 -4.100 2.454 1.00 1.00 N ATOM 524 CA ALA A 35 4.522 -3.470 1.705 1.00 1.00 C ATOM 525 C ALA A 35 5.149 -2.337 2.507 1.00 1.00 C ATOM 526 O ALA A 35 6.373 -2.223 2.579 1.00 1.00 O ATOM 527 CB ALA A 35 3.991 -2.934 0.374 1.00 1.00 C ATOM 0 H ALA A 35 2.550 -4.127 1.974 1.00 1.00 H new ATOM 0 HA ALA A 35 5.288 -4.220 1.509 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.804 -2.464 -0.179 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.582 -3.757 -0.212 1.00 1.00 H new ATOM 0 HB3 ALA A 35 3.209 -2.199 0.564 1.00 1.00 H new ATOM 533 N VAL A 36 4.309 -1.506 3.115 1.00 1.00 N ATOM 534 CA VAL A 36 4.810 -0.387 3.898 1.00 1.00 C ATOM 535 C VAL A 36 5.731 -0.891 5.001 1.00 1.00 C ATOM 536 O VAL A 36 6.805 -0.332 5.232 1.00 1.00 O ATOM 537 CB VAL A 36 3.638 0.404 4.506 1.00 1.00 C ATOM 538 CG1 VAL A 36 4.173 1.380 5.567 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.898 1.180 3.392 1.00 1.00 C ATOM 0 H VAL A 36 3.293 -1.585 3.081 1.00 1.00 H new ATOM 0 HA VAL A 36 5.376 0.275 3.242 1.00 1.00 H new ATOM 0 HB VAL A 36 2.939 -0.286 4.978 1.00 1.00 H new ATOM 0 HG11 VAL A 36 3.343 1.940 5.998 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.680 0.821 6.353 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.876 2.072 5.103 1.00 1.00 H new ATOM 0 HG21 VAL A 36 2.069 1.739 3.827 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.589 1.872 2.910 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.514 0.477 2.653 1.00 1.00 H new ATOM 549 N GLU A 37 5.314 -1.948 5.678 1.00 1.00 N ATOM 550 CA GLU A 37 6.128 -2.502 6.750 1.00 1.00 C ATOM 551 C GLU A 37 7.529 -2.826 6.242 1.00 1.00 C ATOM 552 O GLU A 37 8.527 -2.456 6.859 1.00 1.00 O ATOM 553 CB GLU A 37 5.476 -3.784 7.280 1.00 1.00 C ATOM 554 CG GLU A 37 5.915 -4.028 8.727 1.00 1.00 C ATOM 555 CD GLU A 37 5.233 -3.027 9.652 1.00 1.00 C ATOM 556 OE1 GLU A 37 4.363 -2.311 9.181 1.00 1.00 O ATOM 557 OE2 GLU A 37 5.586 -2.991 10.819 1.00 1.00 O ATOM 0 H GLU A 37 4.433 -2.433 5.510 1.00 1.00 H new ATOM 0 HA GLU A 37 6.201 -1.764 7.549 1.00 1.00 H new ATOM 0 HB2 GLU A 37 4.391 -3.699 7.229 1.00 1.00 H new ATOM 0 HB3 GLU A 37 5.759 -4.632 6.656 1.00 1.00 H new ATOM 0 HG2 GLU A 37 5.661 -5.045 9.027 1.00 1.00 H new ATOM 0 HG3 GLU A 37 6.998 -3.933 8.809 1.00 1.00 H new ATOM 564 N TYR A 38 7.593 -3.529 5.117 1.00 1.00 N ATOM 565 CA TYR A 38 8.886 -3.900 4.552 1.00 1.00 C ATOM 566 C TYR A 38 9.685 -2.662 4.159 1.00 1.00 C ATOM 567 O TYR A 38 10.901 -2.613 4.348 1.00 1.00 O ATOM 568 CB TYR A 38 8.711 -4.811 3.325 1.00 1.00 C ATOM 569 CG TYR A 38 8.452 -6.227 3.771 1.00 1.00 C ATOM 570 CD1 TYR A 38 9.531 -7.051 4.106 1.00 1.00 C ATOM 571 CD2 TYR A 38 7.146 -6.714 3.856 1.00 1.00 C ATOM 572 CE1 TYR A 38 9.304 -8.363 4.524 1.00 1.00 C ATOM 573 CE2 TYR A 38 6.914 -8.027 4.278 1.00 1.00 C ATOM 574 CZ TYR A 38 7.995 -8.853 4.611 1.00 1.00 C ATOM 575 OH TYR A 38 7.768 -10.140 5.030 1.00 1.00 O ATOM 0 H TYR A 38 6.783 -3.849 4.586 1.00 1.00 H new ATOM 0 HA TYR A 38 9.434 -4.445 5.321 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.882 -4.456 2.713 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.605 -4.774 2.703 1.00 1.00 H new ATOM 0 HD1 TYR A 38 10.540 -6.672 4.041 1.00 1.00 H new ATOM 0 HD2 TYR A 38 6.314 -6.076 3.596 1.00 1.00 H new ATOM 0 HE1 TYR A 38 10.137 -9.000 4.780 1.00 1.00 H new ATOM 0 HE2 TYR A 38 5.904 -8.403 4.347 1.00 1.00 H new ATOM 0 HH TYR A 38 6.804 -10.318 5.034 1.00 1.00 H new ATOM 585 N PHE A 39 9.003 -1.670 3.604 1.00 1.00 N ATOM 586 CA PHE A 39 9.672 -0.445 3.185 1.00 1.00 C ATOM 587 C PHE A 39 10.325 0.258 4.379 1.00 1.00 C ATOM 588 O PHE A 39 11.508 0.623 4.342 1.00 1.00 O ATOM 589 CB PHE A 39 8.637 0.489 2.527 1.00 1.00 C ATOM 590 CG PHE A 39 8.487 0.168 1.051 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.579 0.338 0.199 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.261 -0.285 0.532 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.458 0.056 -1.165 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.140 -0.568 -0.837 1.00 1.00 C ATOM 595 CZ PHE A 39 8.242 -0.399 -1.683 1.00 1.00 C ATOM 0 H PHE A 39 7.997 -1.687 3.434 1.00 1.00 H new ATOM 0 HA PHE A 39 10.457 -0.695 2.471 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.674 0.383 3.027 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.947 1.527 2.649 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.521 0.689 0.595 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.412 -0.415 1.187 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.306 0.190 -1.820 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.199 -0.915 -1.237 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.153 -0.620 -2.736 1.00 1.00 H new ATOM 605 N LEU A 40 9.545 0.433 5.435 1.00 1.00 N ATOM 606 CA LEU A 40 10.030 1.084 6.633 1.00 1.00 C ATOM 607 C LEU A 40 11.147 0.251 7.241 1.00 1.00 C ATOM 608 O LEU A 40 12.165 0.771 7.679 1.00 1.00 O ATOM 609 CB LEU A 40 8.886 1.219 7.638 1.00 1.00 C ATOM 610 CG LEU A 40 7.804 2.161 7.079 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.546 2.040 7.941 1.00 1.00 C ATOM 612 CD2 LEU A 40 8.288 3.624 7.083 1.00 1.00 C ATOM 0 H LEU A 40 8.572 0.131 5.482 1.00 1.00 H new ATOM 0 HA LEU A 40 10.410 2.075 6.383 1.00 1.00 H new ATOM 0 HB2 LEU A 40 8.455 0.239 7.845 1.00 1.00 H new ATOM 0 HB3 LEU A 40 9.265 1.607 8.583 1.00 1.00 H new ATOM 0 HG LEU A 40 7.589 1.875 6.050 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.774 2.704 7.553 1.00 1.00 H new ATOM 0 HD12 LEU A 40 6.186 1.011 7.917 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.781 2.318 8.968 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.504 4.268 6.683 1.00 1.00 H new ATOM 0 HD22 LEU A 40 8.521 3.927 8.104 1.00 1.00 H new ATOM 0 HD23 LEU A 40 9.181 3.713 6.465 1.00 1.00 H new ATOM 624 N HIS A 41 10.967 -1.051 7.241 1.00 1.00 N ATOM 625 CA HIS A 41 11.982 -1.924 7.791 1.00 1.00 C ATOM 626 C HIS A 41 13.282 -1.797 6.995 1.00 1.00 C ATOM 627 O HIS A 41 14.373 -1.860 7.550 1.00 1.00 O ATOM 628 CB HIS A 41 11.498 -3.377 7.769 1.00 1.00 C ATOM 629 CG HIS A 41 12.349 -4.215 8.692 1.00 1.00 C ATOM 630 ND1 HIS A 41 12.065 -4.355 10.045 1.00 1.00 N ATOM 631 CD2 HIS A 41 13.481 -4.959 8.471 1.00 1.00 C ATOM 632 CE1 HIS A 41 13.007 -5.157 10.577 1.00 1.00 C ATOM 633 NE2 HIS A 41 13.894 -5.552 9.660 1.00 1.00 N ATOM 0 H HIS A 41 10.142 -1.524 6.873 1.00 1.00 H new ATOM 0 HA HIS A 41 12.171 -1.628 8.823 1.00 1.00 H new ATOM 0 HB2 HIS A 41 10.454 -3.427 8.078 1.00 1.00 H new ATOM 0 HB3 HIS A 41 11.549 -3.771 6.754 1.00 1.00 H new ATOM 0 HD2 HIS A 41 13.977 -5.068 7.518 1.00 1.00 H new ATOM 0 HE1 HIS A 41 13.041 -5.445 11.617 1.00 1.00 H new ATOM 0 HE2 HIS A 41 14.702 -6.159 9.801 1.00 1.00 H new ATOM 642 N ALA A 42 13.168 -1.637 5.690 1.00 1.00 N ATOM 643 CA ALA A 42 14.360 -1.534 4.856 1.00 1.00 C ATOM 644 C ALA A 42 15.182 -0.285 5.151 1.00 1.00 C ATOM 645 O ALA A 42 16.388 -0.353 5.335 1.00 1.00 O ATOM 646 CB ALA A 42 13.981 -1.511 3.388 1.00 1.00 C ATOM 0 H ALA A 42 12.282 -1.576 5.188 1.00 1.00 H new ATOM 0 HA ALA A 42 14.965 -2.410 5.088 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.883 -1.434 2.781 1.00 1.00 H new ATOM 0 HB2 ALA A 42 13.450 -2.429 3.135 1.00 1.00 H new ATOM 0 HB3 ALA A 42 13.337 -0.654 3.192 1.00 1.00 H new ATOM 652 N ILE A 43 14.536 0.847 5.252 1.00 1.00 N ATOM 653 CA ILE A 43 15.267 2.062 5.549 1.00 1.00 C ATOM 654 C ILE A 43 15.921 1.997 6.940 1.00 1.00 C ATOM 655 O ILE A 43 17.020 2.520 7.129 1.00 1.00 O ATOM 656 CB ILE A 43 14.319 3.248 5.466 1.00 1.00 C ATOM 657 CG1 ILE A 43 13.065 2.947 6.269 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.918 3.483 4.013 1.00 1.00 C ATOM 659 CD1 ILE A 43 12.126 4.154 6.247 1.00 1.00 C ATOM 0 H ILE A 43 13.529 0.959 5.137 1.00 1.00 H new ATOM 0 HA ILE A 43 16.066 2.177 4.816 1.00 1.00 H new ATOM 0 HB ILE A 43 14.818 4.132 5.862 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.559 2.075 5.855 1.00 1.00 H new ATOM 0 HG13 ILE A 43 13.332 2.702 7.297 1.00 1.00 H new ATOM 0 HG21 ILE A 43 13.239 4.333 3.956 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.808 3.689 3.419 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.420 2.594 3.625 1.00 1.00 H new ATOM 0 HD11 ILE A 43 11.230 3.928 6.825 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.631 5.016 6.682 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.846 4.379 5.218 1.00 1.00 H new ATOM 671 N LYS A 44 15.258 1.343 7.905 1.00 1.00 N ATOM 672 CA LYS A 44 15.828 1.227 9.259 1.00 1.00 C ATOM 673 C LYS A 44 16.807 0.081 9.405 1.00 1.00 C ATOM 674 O LYS A 44 17.875 0.236 9.999 1.00 1.00 O ATOM 675 CB LYS A 44 14.749 1.004 10.297 1.00 1.00 C ATOM 676 CG LYS A 44 13.697 2.057 10.124 1.00 1.00 C ATOM 677 CD LYS A 44 12.729 2.027 11.291 1.00 1.00 C ATOM 678 CE LYS A 44 11.564 2.974 10.997 1.00 1.00 C ATOM 679 NZ LYS A 44 12.039 4.390 10.954 1.00 1.00 N ATOM 0 H LYS A 44 14.350 0.896 7.781 1.00 1.00 H new ATOM 0 HA LYS A 44 16.347 2.173 9.416 1.00 1.00 H new ATOM 0 HB2 LYS A 44 14.313 0.011 10.183 1.00 1.00 H new ATOM 0 HB3 LYS A 44 15.173 1.053 11.300 1.00 1.00 H new ATOM 0 HG2 LYS A 44 14.164 3.040 10.054 1.00 1.00 H new ATOM 0 HG3 LYS A 44 13.158 1.893 9.191 1.00 1.00 H new ATOM 0 HD2 LYS A 44 12.360 1.013 11.448 1.00 1.00 H new ATOM 0 HD3 LYS A 44 13.236 2.327 12.208 1.00 1.00 H new ATOM 0 HE2 LYS A 44 11.104 2.709 10.045 1.00 1.00 H new ATOM 0 HE3 LYS A 44 10.796 2.865 11.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 11.220 5.031 10.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 12.633 4.582 11.786 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 12.595 4.544 10.089 1.00 1.00 H new ATOM 693 N TYR A 45 16.410 -1.087 8.903 1.00 1.00 N ATOM 694 CA TYR A 45 17.246 -2.281 9.034 1.00 1.00 C ATOM 695 C TYR A 45 18.182 -2.458 7.842 1.00 1.00 C ATOM 696 O TYR A 45 19.170 -3.191 7.937 1.00 1.00 O ATOM 697 CB TYR A 45 16.390 -3.547 9.184 1.00 1.00 C ATOM 698 CG TYR A 45 15.642 -3.499 10.494 1.00 1.00 C ATOM 699 CD1 TYR A 45 14.502 -2.707 10.604 1.00 1.00 C ATOM 700 CD2 TYR A 45 16.095 -4.233 11.597 1.00 1.00 C ATOM 701 CE1 TYR A 45 13.804 -2.639 11.809 1.00 1.00 C ATOM 702 CE2 TYR A 45 15.398 -4.169 12.809 1.00 1.00 C ATOM 703 CZ TYR A 45 14.252 -3.369 12.914 1.00 1.00 C ATOM 704 OH TYR A 45 13.561 -3.309 14.108 1.00 1.00 O ATOM 0 H TYR A 45 15.529 -1.233 8.409 1.00 1.00 H new ATOM 0 HA TYR A 45 17.845 -2.136 9.933 1.00 1.00 H new ATOM 0 HB2 TYR A 45 15.687 -3.623 8.355 1.00 1.00 H new ATOM 0 HB3 TYR A 45 17.024 -4.433 9.147 1.00 1.00 H new ATOM 0 HD1 TYR A 45 14.156 -2.142 9.751 1.00 1.00 H new ATOM 0 HD2 TYR A 45 16.980 -4.847 11.513 1.00 1.00 H new ATOM 0 HE1 TYR A 45 12.920 -2.024 11.889 1.00 1.00 H new ATOM 0 HE2 TYR A 45 15.743 -4.735 13.662 1.00 1.00 H new ATOM 0 HH TYR A 45 14.006 -3.876 14.772 1.00 1.00 H new ATOM 714 N GLU A 46 17.876 -1.791 6.721 1.00 1.00 N ATOM 715 CA GLU A 46 18.722 -1.887 5.520 1.00 1.00 C ATOM 716 C GLU A 46 19.280 -0.512 5.177 1.00 1.00 C ATOM 717 O GLU A 46 18.551 0.477 5.127 1.00 1.00 O ATOM 718 CB GLU A 46 17.934 -2.462 4.328 1.00 1.00 C ATOM 719 CG GLU A 46 17.339 -3.811 4.726 1.00 1.00 C ATOM 720 CD GLU A 46 18.453 -4.826 4.923 1.00 1.00 C ATOM 721 OE1 GLU A 46 19.539 -4.584 4.421 1.00 1.00 O ATOM 722 OE2 GLU A 46 18.210 -5.827 5.576 1.00 1.00 O ATOM 0 H GLU A 46 17.061 -1.187 6.619 1.00 1.00 H new ATOM 0 HA GLU A 46 19.547 -2.568 5.730 1.00 1.00 H new ATOM 0 HB2 GLU A 46 17.142 -1.774 4.034 1.00 1.00 H new ATOM 0 HB3 GLU A 46 18.590 -2.580 3.466 1.00 1.00 H new ATOM 0 HG2 GLU A 46 16.762 -3.708 5.645 1.00 1.00 H new ATOM 0 HG3 GLU A 46 16.651 -4.157 3.955 1.00 1.00 H new ATOM 729 N ALA A 47 20.584 -0.463 4.965 1.00 1.00 N ATOM 730 CA ALA A 47 21.256 0.790 4.652 1.00 1.00 C ATOM 731 C ALA A 47 20.958 1.214 3.228 1.00 1.00 C ATOM 732 O ALA A 47 20.846 0.376 2.333 1.00 1.00 O ATOM 733 CB ALA A 47 22.770 0.642 4.837 1.00 1.00 C ATOM 0 H ALA A 47 21.200 -1.275 5.004 1.00 1.00 H new ATOM 0 HA ALA A 47 20.884 1.555 5.334 1.00 1.00 H new ATOM 0 HB1 ALA A 47 23.260 1.586 4.599 1.00 1.00 H new ATOM 0 HB2 ALA A 47 22.986 0.371 5.871 1.00 1.00 H new ATOM 0 HB3 ALA A 47 23.143 -0.137 4.173 1.00 1.00 H new ATOM 739 N HIS A 48 20.832 2.516 3.019 1.00 1.00 N ATOM 740 CA HIS A 48 20.549 3.043 1.691 1.00 1.00 C ATOM 741 C HIS A 48 21.034 4.492 1.572 1.00 1.00 C ATOM 742 O HIS A 48 21.753 4.988 2.441 1.00 1.00 O ATOM 743 CB HIS A 48 19.040 2.935 1.403 1.00 1.00 C ATOM 744 CG HIS A 48 18.718 1.585 0.837 1.00 1.00 C ATOM 745 ND1 HIS A 48 19.224 1.154 -0.377 1.00 1.00 N ATOM 746 CD2 HIS A 48 17.940 0.566 1.309 1.00 1.00 C ATOM 747 CE1 HIS A 48 18.746 -0.084 -0.594 1.00 1.00 C ATOM 748 NE2 HIS A 48 17.957 -0.492 0.405 1.00 1.00 N ATOM 0 H HIS A 48 20.921 3.225 3.747 1.00 1.00 H new ATOM 0 HA HIS A 48 21.087 2.454 0.949 1.00 1.00 H new ATOM 0 HB2 HIS A 48 18.474 3.097 2.321 1.00 1.00 H new ATOM 0 HB3 HIS A 48 18.739 3.713 0.701 1.00 1.00 H new ATOM 0 HD2 HIS A 48 17.395 0.579 2.241 1.00 1.00 H new ATOM 0 HE1 HIS A 48 18.972 -0.676 -1.468 1.00 1.00 H new ATOM 0 HE2 HIS A 48 17.472 -1.386 0.487 1.00 1.00 H new ATOM 757 N SER A 49 20.641 5.164 0.488 1.00 1.00 N ATOM 758 CA SER A 49 21.044 6.556 0.252 1.00 1.00 C ATOM 759 C SER A 49 19.965 7.519 0.747 1.00 1.00 C ATOM 760 O SER A 49 18.777 7.252 0.615 1.00 1.00 O ATOM 761 CB SER A 49 21.282 6.765 -1.243 1.00 1.00 C ATOM 762 OG SER A 49 22.549 6.220 -1.594 1.00 1.00 O ATOM 0 H SER A 49 20.045 4.770 -0.240 1.00 1.00 H new ATOM 0 HA SER A 49 21.963 6.758 0.802 1.00 1.00 H new ATOM 0 HB2 SER A 49 20.493 6.283 -1.820 1.00 1.00 H new ATOM 0 HB3 SER A 49 21.250 7.828 -1.484 1.00 1.00 H new ATOM 0 HG SER A 49 22.707 6.350 -2.553 1.00 1.00 H new ATOM 768 N ASP A 50 20.381 8.647 1.299 1.00 1.00 N ATOM 769 CA ASP A 50 19.430 9.632 1.811 1.00 1.00 C ATOM 770 C ASP A 50 18.302 9.852 0.810 1.00 1.00 C ATOM 771 O ASP A 50 17.133 9.996 1.188 1.00 1.00 O ATOM 772 CB ASP A 50 20.163 10.948 2.066 1.00 1.00 C ATOM 773 CG ASP A 50 21.114 10.799 3.250 1.00 1.00 C ATOM 774 OD1 ASP A 50 20.968 9.837 3.987 1.00 1.00 O ATOM 775 OD2 ASP A 50 21.982 11.645 3.400 1.00 1.00 O ATOM 0 H ASP A 50 21.362 8.906 1.406 1.00 1.00 H new ATOM 0 HA ASP A 50 18.998 9.264 2.742 1.00 1.00 H new ATOM 0 HB2 ASP A 50 20.721 11.241 1.176 1.00 1.00 H new ATOM 0 HB3 ASP A 50 19.443 11.741 2.266 1.00 1.00 H new ATOM 780 N LYS A 51 18.652 9.864 -0.466 1.00 1.00 N ATOM 781 CA LYS A 51 17.655 10.047 -1.507 1.00 1.00 C ATOM 782 C LYS A 51 16.665 8.889 -1.490 1.00 1.00 C ATOM 783 O LYS A 51 15.462 9.087 -1.663 1.00 1.00 O ATOM 784 CB LYS A 51 18.338 10.128 -2.873 1.00 1.00 C ATOM 785 CG LYS A 51 19.104 11.447 -2.984 1.00 1.00 C ATOM 786 CD LYS A 51 19.964 11.447 -4.255 1.00 1.00 C ATOM 787 CE LYS A 51 19.080 11.242 -5.489 1.00 1.00 C ATOM 788 NZ LYS A 51 17.815 12.012 -5.333 1.00 1.00 N ATOM 0 H LYS A 51 19.608 9.751 -0.803 1.00 1.00 H new ATOM 0 HA LYS A 51 17.116 10.976 -1.322 1.00 1.00 H new ATOM 0 HB2 LYS A 51 19.020 9.287 -3.001 1.00 1.00 H new ATOM 0 HB3 LYS A 51 17.595 10.059 -3.667 1.00 1.00 H new ATOM 0 HG2 LYS A 51 18.405 12.283 -3.008 1.00 1.00 H new ATOM 0 HG3 LYS A 51 19.736 11.585 -2.107 1.00 1.00 H new ATOM 0 HD2 LYS A 51 20.504 12.390 -4.338 1.00 1.00 H new ATOM 0 HD3 LYS A 51 20.711 10.655 -4.198 1.00 1.00 H new ATOM 0 HE2 LYS A 51 19.608 11.569 -6.385 1.00 1.00 H new ATOM 0 HE3 LYS A 51 18.859 10.183 -5.618 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 17.396 12.185 -6.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 17.147 11.468 -4.750 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 18.017 12.922 -4.871 1.00 1.00 H new ATOM 802 N ALA A 52 17.169 7.682 -1.253 1.00 1.00 N ATOM 803 CA ALA A 52 16.301 6.524 -1.198 1.00 1.00 C ATOM 804 C ALA A 52 15.300 6.673 -0.064 1.00 1.00 C ATOM 805 O ALA A 52 14.099 6.598 -0.280 1.00 1.00 O ATOM 806 CB ALA A 52 17.129 5.285 -0.919 1.00 1.00 C ATOM 0 H ALA A 52 18.158 7.487 -1.099 1.00 1.00 H new ATOM 0 HA ALA A 52 15.780 6.438 -2.152 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.476 4.413 -0.877 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.863 5.151 -1.714 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.644 5.399 0.035 1.00 1.00 H new ATOM 812 N LYS A 53 15.806 6.901 1.152 1.00 1.00 N ATOM 813 CA LYS A 53 14.924 7.036 2.306 1.00 1.00 C ATOM 814 C LYS A 53 13.800 8.006 1.987 1.00 1.00 C ATOM 815 O LYS A 53 12.625 7.681 2.149 1.00 1.00 O ATOM 816 CB LYS A 53 15.721 7.528 3.552 1.00 1.00 C ATOM 817 CG LYS A 53 16.093 6.357 4.506 1.00 1.00 C ATOM 818 CD LYS A 53 17.567 5.996 4.399 1.00 1.00 C ATOM 819 CE LYS A 53 17.855 5.468 3.020 1.00 1.00 C ATOM 820 NZ LYS A 53 16.825 4.468 2.639 1.00 1.00 N ATOM 0 H LYS A 53 16.801 6.994 1.357 1.00 1.00 H new ATOM 0 HA LYS A 53 14.498 6.059 2.535 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.631 8.032 3.225 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.127 8.263 4.095 1.00 1.00 H new ATOM 0 HG2 LYS A 53 15.859 6.636 5.534 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.485 5.484 4.266 1.00 1.00 H new ATOM 0 HD2 LYS A 53 18.183 6.873 4.600 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.824 5.247 5.148 1.00 1.00 H new ATOM 0 HE2 LYS A 53 17.863 6.287 2.301 1.00 1.00 H new ATOM 0 HE3 LYS A 53 18.845 5.012 2.995 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 16.958 4.194 1.645 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 16.916 3.628 3.245 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 15.878 4.881 2.760 1.00 1.00 H new ATOM 834 N GLU A 54 14.146 9.194 1.538 1.00 1.00 N ATOM 835 CA GLU A 54 13.121 10.162 1.220 1.00 1.00 C ATOM 836 C GLU A 54 12.103 9.538 0.277 1.00 1.00 C ATOM 837 O GLU A 54 10.895 9.721 0.440 1.00 1.00 O ATOM 838 CB GLU A 54 13.778 11.383 0.572 1.00 1.00 C ATOM 839 CG GLU A 54 14.186 12.380 1.656 1.00 1.00 C ATOM 840 CD GLU A 54 15.202 11.745 2.600 1.00 1.00 C ATOM 841 OE1 GLU A 54 14.810 10.880 3.367 1.00 1.00 O ATOM 842 OE2 GLU A 54 16.357 12.132 2.543 1.00 1.00 O ATOM 0 H GLU A 54 15.105 9.507 1.388 1.00 1.00 H new ATOM 0 HA GLU A 54 12.603 10.473 2.127 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.652 11.076 -0.002 1.00 1.00 H new ATOM 0 HB3 GLU A 54 13.086 11.853 -0.127 1.00 1.00 H new ATOM 0 HG2 GLU A 54 14.613 13.272 1.198 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.307 12.699 2.217 1.00 1.00 H new ATOM 849 N SER A 55 12.587 8.790 -0.695 1.00 1.00 N ATOM 850 CA SER A 55 11.688 8.147 -1.631 1.00 1.00 C ATOM 851 C SER A 55 10.778 7.155 -0.907 1.00 1.00 C ATOM 852 O SER A 55 9.583 7.083 -1.183 1.00 1.00 O ATOM 853 CB SER A 55 12.477 7.407 -2.712 1.00 1.00 C ATOM 854 OG SER A 55 11.574 6.902 -3.684 1.00 1.00 O ATOM 0 H SER A 55 13.579 8.615 -0.856 1.00 1.00 H new ATOM 0 HA SER A 55 11.079 8.922 -2.096 1.00 1.00 H new ATOM 0 HB2 SER A 55 13.195 8.080 -3.180 1.00 1.00 H new ATOM 0 HB3 SER A 55 13.047 6.591 -2.269 1.00 1.00 H new ATOM 0 HG SER A 55 12.054 6.309 -4.300 1.00 1.00 H new ATOM 860 N ILE A 56 11.354 6.369 0.001 1.00 1.00 N ATOM 861 CA ILE A 56 10.579 5.367 0.716 1.00 1.00 C ATOM 862 C ILE A 56 9.574 6.033 1.654 1.00 1.00 C ATOM 863 O ILE A 56 8.425 5.623 1.740 1.00 1.00 O ATOM 864 CB ILE A 56 11.509 4.465 1.544 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.707 3.990 0.708 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.735 3.237 2.026 1.00 1.00 C ATOM 867 CD1 ILE A 56 12.250 3.472 -0.641 1.00 1.00 C ATOM 0 H ILE A 56 12.341 6.408 0.254 1.00 1.00 H new ATOM 0 HA ILE A 56 10.044 4.767 -0.021 1.00 1.00 H new ATOM 0 HB ILE A 56 11.874 5.045 2.391 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.408 4.813 0.568 1.00 1.00 H new ATOM 0 HG13 ILE A 56 13.241 3.204 1.243 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.395 2.598 2.613 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.895 3.556 2.643 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.363 2.681 1.166 1.00 1.00 H new ATOM 0 HD11 ILE A 56 13.115 3.141 -1.216 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.568 2.634 -0.497 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.738 4.268 -1.182 1.00 1.00 H new ATOM 879 N ARG A 57 10.035 7.047 2.374 1.00 1.00 N ATOM 880 CA ARG A 57 9.184 7.754 3.323 1.00 1.00 C ATOM 881 C ARG A 57 8.005 8.413 2.608 1.00 1.00 C ATOM 882 O ARG A 57 6.874 8.385 3.101 1.00 1.00 O ATOM 883 CB ARG A 57 9.995 8.823 4.054 1.00 1.00 C ATOM 884 CG ARG A 57 11.043 8.145 4.935 1.00 1.00 C ATOM 885 CD ARG A 57 11.793 9.210 5.740 1.00 1.00 C ATOM 886 NE ARG A 57 12.841 8.594 6.546 1.00 1.00 N ATOM 887 CZ ARG A 57 13.732 9.335 7.198 1.00 1.00 C ATOM 888 NH1 ARG A 57 13.675 10.638 7.130 1.00 1.00 N ATOM 889 NH2 ARG A 57 14.666 8.759 7.905 1.00 1.00 N ATOM 0 H ARG A 57 10.991 7.398 2.320 1.00 1.00 H new ATOM 0 HA ARG A 57 8.799 7.030 4.041 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.480 9.484 3.335 1.00 1.00 H new ATOM 0 HB3 ARG A 57 9.337 9.443 4.663 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.564 7.434 5.608 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.742 7.579 4.319 1.00 1.00 H new ATOM 0 HD2 ARG A 57 12.230 9.945 5.064 1.00 1.00 H new ATOM 0 HD3 ARG A 57 11.096 9.745 6.385 1.00 1.00 H new ATOM 0 HE ARG A 57 12.891 7.577 6.611 1.00 1.00 H new ATOM 0 HH11 ARG A 57 12.946 11.088 6.576 1.00 1.00 H new ATOM 0 HH12 ARG A 57 14.359 11.205 7.631 1.00 1.00 H new ATOM 0 HH21 ARG A 57 14.712 7.741 7.957 1.00 1.00 H new ATOM 0 HH22 ARG A 57 15.350 9.327 8.405 1.00 1.00 H new ATOM 903 N ALA A 58 8.271 8.986 1.434 1.00 1.00 N ATOM 904 CA ALA A 58 7.217 9.634 0.654 1.00 1.00 C ATOM 905 C ALA A 58 6.210 8.603 0.140 1.00 1.00 C ATOM 906 O ALA A 58 4.997 8.747 0.294 1.00 1.00 O ATOM 907 CB ALA A 58 7.850 10.375 -0.526 1.00 1.00 C ATOM 0 H ALA A 58 9.196 9.015 1.006 1.00 1.00 H new ATOM 0 HA ALA A 58 6.686 10.339 1.294 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.069 10.860 -1.112 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.545 11.128 -0.153 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.387 9.665 -1.155 1.00 1.00 H new ATOM 913 N LYS A 59 6.712 7.552 -0.469 1.00 1.00 N ATOM 914 CA LYS A 59 5.835 6.522 -0.980 1.00 1.00 C ATOM 915 C LYS A 59 5.135 5.800 0.170 1.00 1.00 C ATOM 916 O LYS A 59 3.970 5.419 0.063 1.00 1.00 O ATOM 917 CB LYS A 59 6.634 5.560 -1.853 1.00 1.00 C ATOM 918 CG LYS A 59 7.226 6.302 -3.074 1.00 1.00 C ATOM 919 CD LYS A 59 6.143 6.954 -3.959 1.00 1.00 C ATOM 920 CE LYS A 59 5.081 5.925 -4.337 1.00 1.00 C ATOM 921 NZ LYS A 59 4.354 6.395 -5.550 1.00 1.00 N ATOM 0 H LYS A 59 7.707 7.389 -0.621 1.00 1.00 H new ATOM 0 HA LYS A 59 5.058 6.974 -1.597 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.437 5.111 -1.269 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.992 4.747 -2.190 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.916 7.071 -2.727 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.806 5.600 -3.674 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.681 7.786 -3.427 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.598 7.365 -4.860 1.00 1.00 H new ATOM 0 HE2 LYS A 59 5.546 4.958 -4.529 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.383 5.785 -3.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 3.330 6.372 -5.372 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 4.645 7.368 -5.774 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 4.580 5.773 -6.353 1.00 1.00 H new ATOM 935 N CYS A 60 5.852 5.623 1.264 1.00 1.00 N ATOM 936 CA CYS A 60 5.297 4.954 2.425 1.00 1.00 C ATOM 937 C CYS A 60 4.021 5.653 2.876 1.00 1.00 C ATOM 938 O CYS A 60 2.985 5.011 3.058 1.00 1.00 O ATOM 939 CB CYS A 60 6.324 4.974 3.558 1.00 1.00 C ATOM 940 SG CYS A 60 7.488 3.612 3.329 1.00 1.00 S ATOM 0 H CYS A 60 6.818 5.932 1.373 1.00 1.00 H new ATOM 0 HA CYS A 60 5.058 3.923 2.164 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.856 5.925 3.566 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.822 4.881 4.521 1.00 1.00 H new ATOM 0 HG CYS A 60 8.218 3.837 2.277 1.00 1.00 H new ATOM 946 N VAL A 61 4.090 6.972 3.047 1.00 1.00 N ATOM 947 CA VAL A 61 2.919 7.725 3.472 1.00 1.00 C ATOM 948 C VAL A 61 1.820 7.653 2.417 1.00 1.00 C ATOM 949 O VAL A 61 0.632 7.691 2.744 1.00 1.00 O ATOM 950 CB VAL A 61 3.298 9.185 3.753 1.00 1.00 C ATOM 951 CG1 VAL A 61 3.931 9.818 2.522 1.00 1.00 C ATOM 952 CG2 VAL A 61 2.046 9.978 4.124 1.00 1.00 C ATOM 0 H VAL A 61 4.931 7.531 2.900 1.00 1.00 H new ATOM 0 HA VAL A 61 2.539 7.280 4.392 1.00 1.00 H new ATOM 0 HB VAL A 61 4.013 9.203 4.576 1.00 1.00 H new ATOM 0 HG11 VAL A 61 4.193 10.853 2.739 1.00 1.00 H new ATOM 0 HG12 VAL A 61 4.830 9.265 2.250 1.00 1.00 H new ATOM 0 HG13 VAL A 61 3.223 9.789 1.694 1.00 1.00 H new ATOM 0 HG21 VAL A 61 2.318 11.015 4.323 1.00 1.00 H new ATOM 0 HG22 VAL A 61 1.334 9.941 3.299 1.00 1.00 H new ATOM 0 HG23 VAL A 61 1.591 9.545 5.015 1.00 1.00 H new ATOM 962 N GLN A 62 2.213 7.519 1.152 1.00 1.00 N ATOM 963 CA GLN A 62 1.222 7.414 0.077 1.00 1.00 C ATOM 964 C GLN A 62 0.481 6.080 0.149 1.00 1.00 C ATOM 965 O GLN A 62 -0.748 6.030 0.043 1.00 1.00 O ATOM 966 CB GLN A 62 1.907 7.549 -1.284 1.00 1.00 C ATOM 967 CG GLN A 62 2.373 8.994 -1.468 1.00 1.00 C ATOM 968 CD GLN A 62 3.221 9.125 -2.727 1.00 1.00 C ATOM 969 OE1 GLN A 62 3.293 8.195 -3.530 1.00 1.00 O ATOM 970 NE2 GLN A 62 3.887 10.227 -2.937 1.00 1.00 N ATOM 0 H GLN A 62 3.186 7.481 0.848 1.00 1.00 H new ATOM 0 HA GLN A 62 0.500 8.221 0.201 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.757 6.869 -1.347 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.217 7.272 -2.081 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.509 9.655 -1.534 1.00 1.00 H new ATOM 0 HG3 GLN A 62 2.950 9.310 -0.599 1.00 1.00 H new ATOM 0 HE21 GLN A 62 3.825 10.996 -2.269 1.00 1.00 H new ATOM 0 HE22 GLN A 62 4.470 10.320 -3.769 1.00 1.00 H new ATOM 979 N TYR A 63 1.234 5.002 0.338 1.00 1.00 N ATOM 980 CA TYR A 63 0.636 3.677 0.425 1.00 1.00 C ATOM 981 C TYR A 63 -0.303 3.593 1.616 1.00 1.00 C ATOM 982 O TYR A 63 -1.438 3.131 1.493 1.00 1.00 O ATOM 983 CB TYR A 63 1.737 2.613 0.556 1.00 1.00 C ATOM 984 CG TYR A 63 2.681 2.644 -0.639 1.00 1.00 C ATOM 985 CD1 TYR A 63 2.191 2.804 -1.942 1.00 1.00 C ATOM 986 CD2 TYR A 63 4.061 2.520 -0.435 1.00 1.00 C ATOM 987 CE1 TYR A 63 3.067 2.845 -3.028 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.939 2.559 -1.524 1.00 1.00 C ATOM 989 CZ TYR A 63 4.438 2.725 -2.821 1.00 1.00 C ATOM 990 OH TYR A 63 5.293 2.764 -3.896 1.00 1.00 O ATOM 0 H TYR A 63 2.249 5.019 0.433 1.00 1.00 H new ATOM 0 HA TYR A 63 0.064 3.495 -0.485 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.302 2.782 1.473 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.283 1.625 0.638 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.128 2.896 -2.107 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.449 2.394 0.565 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.681 2.970 -4.029 1.00 1.00 H new ATOM 0 HE2 TYR A 63 6.003 2.461 -1.364 1.00 1.00 H new ATOM 0 HH TYR A 63 4.796 3.021 -4.700 1.00 1.00 H new ATOM 1000 N LEU A 64 0.168 4.032 2.771 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.672 3.972 3.950 1.00 1.00 C ATOM 1002 C LEU A 64 -1.923 4.807 3.737 1.00 1.00 C ATOM 1003 O LEU A 64 -3.028 4.335 3.980 1.00 1.00 O ATOM 1004 CB LEU A 64 0.104 4.480 5.169 1.00 1.00 C ATOM 1005 CG LEU A 64 0.816 3.323 5.879 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.864 3.903 6.831 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.191 2.455 6.668 1.00 1.00 C ATOM 0 H LEU A 64 1.099 4.422 2.915 1.00 1.00 H new ATOM 0 HA LEU A 64 -0.967 2.938 4.127 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.835 5.226 4.856 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.579 4.973 5.861 1.00 1.00 H new ATOM 0 HG LEU A 64 1.295 2.687 5.135 1.00 1.00 H new ATOM 0 HD11 LEU A 64 2.379 3.091 7.344 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.586 4.490 6.263 1.00 1.00 H new ATOM 0 HD13 LEU A 64 1.374 4.543 7.565 1.00 1.00 H new ATOM 0 HD21 LEU A 64 0.339 1.641 7.162 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -0.692 3.069 7.416 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -0.931 2.042 5.982 1.00 1.00 H new ATOM 1019 N ASP A 65 -1.771 6.045 3.287 1.00 1.00 N ATOM 1020 CA ASP A 65 -2.930 6.894 3.082 1.00 1.00 C ATOM 1021 C ASP A 65 -3.973 6.161 2.262 1.00 1.00 C ATOM 1022 O ASP A 65 -5.163 6.178 2.588 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.482 8.156 2.351 1.00 1.00 C ATOM 1024 CG ASP A 65 -3.672 9.052 2.043 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -4.424 9.345 2.958 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -3.811 9.439 0.895 1.00 1.00 O ATOM 0 H ASP A 65 -0.874 6.475 3.061 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.372 7.158 4.043 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -1.761 8.699 2.962 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -1.976 7.885 1.425 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.532 5.508 1.205 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.458 4.771 0.376 1.00 1.00 C ATOM 1033 C ARG A 66 -5.124 3.666 1.195 1.00 1.00 C ATOM 1034 O ARG A 66 -6.332 3.452 1.114 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.712 4.171 -0.807 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.281 5.288 -1.773 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.466 5.797 -2.601 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.186 4.671 -3.172 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.373 4.829 -3.736 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -6.917 6.012 -3.785 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.995 3.799 -4.237 1.00 1.00 N ATOM 0 H ARG A 66 -2.557 5.473 0.906 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.230 5.446 0.007 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -2.837 3.623 -0.457 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.350 3.455 -1.326 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -2.848 6.114 -1.208 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.503 4.915 -2.439 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.134 6.387 -1.973 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.111 6.454 -3.395 1.00 1.00 H new ATOM 0 HE ARG A 66 -4.769 3.741 -3.137 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.428 6.815 -3.389 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -7.832 6.135 -4.219 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.567 2.874 -4.194 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.910 3.918 -4.672 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.325 2.948 1.963 1.00 1.00 N ATOM 1056 CA ALA A 67 -4.857 1.867 2.768 1.00 1.00 C ATOM 1057 C ALA A 67 -5.866 2.394 3.797 1.00 1.00 C ATOM 1058 O ALA A 67 -6.831 1.707 4.152 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.705 1.117 3.464 1.00 1.00 C ATOM 0 H ALA A 67 -3.319 3.092 2.045 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.384 1.172 2.114 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.111 0.306 4.068 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.031 0.707 2.712 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.157 1.807 4.105 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.644 3.619 4.260 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.526 4.240 5.242 1.00 1.00 C ATOM 1067 C GLU A 68 -7.891 4.555 4.651 1.00 1.00 C ATOM 1068 O GLU A 68 -8.920 4.139 5.184 1.00 1.00 O ATOM 1069 CB GLU A 68 -5.890 5.539 5.741 1.00 1.00 C ATOM 1070 CG GLU A 68 -4.672 5.218 6.605 1.00 1.00 C ATOM 1071 CD GLU A 68 -3.964 6.509 7.013 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -4.484 7.570 6.705 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -2.911 6.416 7.623 1.00 1.00 O ATOM 0 H GLU A 68 -4.859 4.203 3.971 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.663 3.536 6.063 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -5.594 6.159 4.895 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -6.616 6.112 6.318 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -4.981 4.667 7.493 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -3.985 4.575 6.055 1.00 1.00 H new ATOM 1080 N LYS A 69 -7.908 5.296 3.553 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.174 5.647 2.939 1.00 1.00 C ATOM 1082 C LYS A 69 -9.914 4.379 2.513 1.00 1.00 C ATOM 1083 O LYS A 69 -11.150 4.310 2.579 1.00 1.00 O ATOM 1084 CB LYS A 69 -8.945 6.562 1.727 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.136 5.810 0.686 1.00 1.00 C ATOM 1086 CD LYS A 69 -7.826 6.713 -0.513 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.123 7.212 -1.159 1.00 1.00 C ATOM 1088 NZ LYS A 69 -8.853 7.593 -2.576 1.00 1.00 N ATOM 0 H LYS A 69 -7.080 5.657 3.080 1.00 1.00 H new ATOM 0 HA LYS A 69 -9.782 6.184 3.667 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -9.900 6.876 1.307 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.418 7.466 2.032 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.206 5.453 1.129 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.689 4.932 0.353 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.224 7.562 -0.190 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.235 6.164 -1.246 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.886 6.434 -1.118 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -9.511 8.068 -0.608 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -9.441 8.411 -2.834 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -7.849 7.841 -2.684 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -9.081 6.793 -3.200 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.148 3.376 2.064 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.744 2.123 1.616 1.00 1.00 C ATOM 1104 C LEU A 70 -10.520 1.484 2.745 1.00 1.00 C ATOM 1105 O LEU A 70 -11.680 1.095 2.583 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.646 1.162 1.111 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.238 1.545 -0.326 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.874 0.944 -0.674 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.284 1.051 -1.354 1.00 1.00 C ATOM 0 H LEU A 70 -8.130 3.411 2.004 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.429 2.333 0.795 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.779 1.208 1.770 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -9.010 0.135 1.134 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.182 2.633 -0.372 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.602 1.224 -1.692 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.123 1.321 0.020 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.925 -0.142 -0.598 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -8.970 1.335 -2.358 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.369 -0.034 -1.294 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.251 1.503 -1.135 1.00 1.00 H new ATOM 1121 N LYS A 71 -9.887 1.428 3.892 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.490 0.875 5.087 1.00 1.00 C ATOM 1123 C LYS A 71 -11.580 1.786 5.633 1.00 1.00 C ATOM 1124 O LYS A 71 -12.470 1.332 6.358 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.432 0.663 6.180 1.00 1.00 C ATOM 1126 CG LYS A 71 -9.984 -0.286 7.248 1.00 1.00 C ATOM 1127 CD LYS A 71 -8.862 -0.729 8.190 1.00 1.00 C ATOM 1128 CE LYS A 71 -8.093 0.491 8.701 1.00 1.00 C ATOM 1129 NZ LYS A 71 -7.319 0.112 9.915 1.00 1.00 N ATOM 0 H LYS A 71 -8.934 1.766 4.026 1.00 1.00 H new ATOM 0 HA LYS A 71 -10.932 -0.082 4.808 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.522 0.249 5.745 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.163 1.618 6.631 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -10.771 0.211 7.816 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.436 -1.157 6.773 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -9.280 -1.284 9.030 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -8.184 -1.404 7.668 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.420 0.861 7.928 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -8.785 1.300 8.935 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -6.795 0.939 10.265 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -7.972 -0.222 10.653 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -6.649 -0.647 9.677 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.510 3.069 5.288 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.490 4.039 5.771 1.00 1.00 C ATOM 1145 C ASP A 72 -13.870 3.817 5.192 1.00 1.00 C ATOM 1146 O ASP A 72 -14.860 3.649 5.929 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.020 5.429 5.340 1.00 1.00 C ATOM 1148 CG ASP A 72 -12.760 6.504 6.123 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.360 6.171 7.129 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -12.710 7.648 5.705 1.00 1.00 O ATOM 0 H ASP A 72 -10.790 3.460 4.680 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.562 3.932 6.853 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -10.947 5.524 5.504 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.193 5.564 4.272 1.00 1.00 H new ATOM 1155 N TYR A 73 -13.960 3.821 3.868 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.260 3.634 3.236 1.00 1.00 C ATOM 1157 C TYR A 73 -15.650 2.171 3.301 1.00 1.00 C ATOM 1158 O TYR A 73 -16.840 1.851 3.381 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.280 4.130 1.784 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.580 3.162 0.874 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.220 1.978 0.480 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.290 3.453 0.410 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.560 1.089 -0.370 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.650 2.561 -0.435 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.280 1.381 -0.822 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.620 0.493 -1.623 1.00 1.00 O ATOM 0 H TYR A 73 -13.176 3.947 3.228 1.00 1.00 H new ATOM 0 HA TYR A 73 -15.986 4.234 3.785 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.311 4.263 1.456 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -14.798 5.106 1.723 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.217 1.756 0.832 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -12.798 4.367 0.709 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.045 0.174 -0.676 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.656 2.782 -0.796 1.00 1.00 H new ATOM 0 HH TYR A 73 -13.041 -0.389 -1.550 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.660 1.284 3.288 1.00 1.00 N ATOM 1177 CA LEU A 74 -14.940 -0.151 3.357 1.00 1.00 C ATOM 1178 C LEU A 74 -15.710 -0.463 4.632 1.00 1.00 C ATOM 1179 O LEU A 74 -16.730 -1.144 4.604 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.620 -0.938 3.360 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.140 -1.205 1.919 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.660 -1.703 1.930 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -14.070 -2.243 1.238 1.00 1.00 C ATOM 0 H LEU A 74 -13.671 1.525 3.231 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.535 -0.439 2.490 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.859 -0.379 3.904 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.756 -1.884 3.884 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.182 -0.278 1.347 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.331 -1.889 0.908 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -11.024 -0.943 2.384 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.591 -2.625 2.506 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.726 -2.427 0.220 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -14.050 -3.175 1.802 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -15.089 -1.857 1.212 1.00 1.00 H new ATOM 1195 N ARG A 75 -15.230 0.054 5.753 1.00 1.00 N ATOM 1196 CA ARG A 75 -15.900 -0.171 7.014 1.00 1.00 C ATOM 1197 C ARG A 75 -17.240 0.529 7.017 1.00 1.00 C ATOM 1198 O ARG A 75 -18.250 -0.035 7.461 1.00 1.00 O ATOM 1199 CB ARG A 75 -15.020 0.328 8.165 1.00 1.00 C ATOM 1200 CG ARG A 75 -15.800 0.218 9.477 1.00 1.00 C ATOM 1201 CD ARG A 75 -14.870 0.504 10.653 1.00 1.00 C ATOM 1202 NE ARG A 75 -15.620 0.469 11.907 1.00 1.00 N ATOM 1203 CZ ARG A 75 -15.820 -0.671 12.565 1.00 1.00 C ATOM 1204 NH1 ARG A 75 -15.350 -1.793 12.089 1.00 1.00 N ATOM 1205 NH2 ARG A 75 -16.490 -0.666 13.685 1.00 1.00 N ATOM 0 H ARG A 75 -14.387 0.626 5.811 1.00 1.00 H new ATOM 0 HA ARG A 75 -16.071 -1.239 7.149 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -14.105 -0.261 8.221 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -14.723 1.362 7.990 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -16.631 0.924 9.478 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -16.229 -0.779 9.574 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -14.068 -0.233 10.680 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -14.402 1.480 10.527 1.00 1.00 H new ATOM 0 HE ARG A 75 -15.998 1.337 12.286 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -14.829 -1.796 11.212 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -15.504 -2.666 12.594 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -16.859 0.210 14.055 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -16.644 -1.538 14.191 1.00 1.00 H new TER 1219 ARG A 75 ATOM 1220 N ILE B 168 16.562 3.421 -7.590 1.00 1.00 N ATOM 1221 CA ILE B 168 15.321 3.026 -6.920 1.00 1.00 C ATOM 1222 C ILE B 168 14.125 3.527 -7.701 1.00 1.00 C ATOM 1223 O ILE B 168 13.888 4.732 -7.785 1.00 1.00 O ATOM 1224 CB ILE B 168 15.276 3.596 -5.497 1.00 1.00 C ATOM 1225 CG1 ILE B 168 16.345 2.902 -4.679 1.00 1.00 C ATOM 1226 CG2 ILE B 168 13.903 3.344 -4.857 1.00 1.00 C ATOM 1227 CD1 ILE B 168 16.442 3.537 -3.303 1.00 1.00 C ATOM 0 HA ILE B 168 15.290 1.938 -6.869 1.00 1.00 H new ATOM 0 HB ILE B 168 15.448 4.672 -5.528 1.00 1.00 H new ATOM 0 HG12 ILE B 168 16.110 1.842 -4.583 1.00 1.00 H new ATOM 0 HG13 ILE B 168 17.306 2.971 -5.189 1.00 1.00 H new ATOM 0 HG21 ILE B 168 13.891 3.756 -3.848 1.00 1.00 H new ATOM 0 HG22 ILE B 168 13.129 3.826 -5.455 1.00 1.00 H new ATOM 0 HG23 ILE B 168 13.713 2.272 -4.814 1.00 1.00 H new ATOM 0 HD11 ILE B 168 17.213 3.031 -2.722 1.00 1.00 H new ATOM 0 HD12 ILE B 168 16.698 4.591 -3.406 1.00 1.00 H new ATOM 0 HD13 ILE B 168 15.484 3.445 -2.791 1.00 1.00 H new ATOM 1239 N GLU B 169 13.362 2.591 -8.260 1.00 1.00 N ATOM 1240 CA GLU B 169 12.169 2.939 -9.025 1.00 1.00 C ATOM 1241 C GLU B 169 10.944 2.304 -8.391 1.00 1.00 C ATOM 1242 O GLU B 169 10.717 1.103 -8.524 1.00 1.00 O ATOM 1243 CB GLU B 169 12.298 2.452 -10.460 1.00 1.00 C ATOM 1244 CG GLU B 169 13.384 3.255 -11.170 1.00 1.00 C ATOM 1245 CD GLU B 169 13.595 2.718 -12.590 1.00 1.00 C ATOM 1246 OE1 GLU B 169 12.937 1.750 -12.930 1.00 1.00 O ATOM 1247 OE2 GLU B 169 14.411 3.280 -13.290 1.00 1.00 O ATOM 0 H GLU B 169 13.548 1.590 -8.198 1.00 1.00 H new ATOM 0 HA GLU B 169 12.063 4.024 -9.023 1.00 1.00 H new ATOM 0 HB2 GLU B 169 12.546 1.391 -10.475 1.00 1.00 H new ATOM 0 HB3 GLU B 169 11.347 2.564 -10.981 1.00 1.00 H new ATOM 0 HG2 GLU B 169 13.102 4.307 -11.209 1.00 1.00 H new ATOM 0 HG3 GLU B 169 14.316 3.196 -10.608 1.00 1.00 H new ATOM 1254 N LEU B 170 10.160 3.112 -7.688 1.00 1.00 N ATOM 1255 CA LEU B 170 8.962 2.610 -7.019 1.00 1.00 C ATOM 1256 C LEU B 170 7.719 2.798 -7.893 1.00 1.00 C ATOM 1257 O LEU B 170 7.726 3.601 -8.828 1.00 1.00 O ATOM 1258 CB LEU B 170 8.760 3.354 -5.694 1.00 1.00 C ATOM 1259 CG LEU B 170 9.983 3.124 -4.775 1.00 1.00 C ATOM 1260 CD1 LEU B 170 10.169 4.302 -3.803 1.00 1.00 C ATOM 1261 CD2 LEU B 170 9.805 1.825 -3.966 1.00 1.00 C ATOM 0 H LEU B 170 10.328 4.111 -7.566 1.00 1.00 H new ATOM 0 HA LEU B 170 9.100 1.545 -6.835 1.00 1.00 H new ATOM 0 HB2 LEU B 170 8.629 4.420 -5.881 1.00 1.00 H new ATOM 0 HB3 LEU B 170 7.853 3.002 -5.203 1.00 1.00 H new ATOM 0 HG LEU B 170 10.867 3.044 -5.408 1.00 1.00 H new ATOM 0 HD11 LEU B 170 11.035 4.116 -3.168 1.00 1.00 H new ATOM 0 HD12 LEU B 170 10.325 5.220 -4.370 1.00 1.00 H new ATOM 0 HD13 LEU B 170 9.279 4.405 -3.182 1.00 1.00 H new ATOM 0 HD21 LEU B 170 10.672 1.675 -3.323 1.00 1.00 H new ATOM 0 HD22 LEU B 170 8.907 1.899 -3.352 1.00 1.00 H new ATOM 0 HD23 LEU B 170 9.709 0.981 -4.649 1.00 1.00 H new ATOM 1273 N PRO B 171 6.652 2.091 -7.593 1.00 1.00 N ATOM 1274 CA PRO B 171 5.376 2.218 -8.367 1.00 1.00 C ATOM 1275 C PRO B 171 4.484 3.338 -7.825 1.00 1.00 C ATOM 1276 O PRO B 171 4.645 3.779 -6.686 1.00 1.00 O ATOM 1277 CB PRO B 171 4.700 0.846 -8.209 1.00 1.00 C ATOM 1278 CG PRO B 171 5.292 0.263 -6.970 1.00 1.00 C ATOM 1279 CD PRO B 171 6.726 0.781 -6.914 1.00 1.00 C ATOM 0 HA PRO B 171 5.558 2.481 -9.409 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.618 0.947 -8.120 1.00 1.00 H new ATOM 0 HB3 PRO B 171 4.890 0.211 -9.074 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.731 0.568 -6.087 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.270 -0.826 -7.001 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.075 0.882 -5.886 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.416 0.106 -7.421 1.00 1.00 H new ATOM 1287 N GLU B 172 3.530 3.775 -8.647 1.00 1.00 N ATOM 1288 CA GLU B 172 2.596 4.826 -8.247 1.00 1.00 C ATOM 1289 C GLU B 172 1.221 4.230 -7.996 1.00 1.00 C ATOM 1290 O GLU B 172 0.658 3.554 -8.856 1.00 1.00 O ATOM 1291 CB GLU B 172 2.501 5.896 -9.334 1.00 1.00 C ATOM 1292 CG GLU B 172 1.572 7.020 -8.865 1.00 1.00 C ATOM 1293 CD GLU B 172 1.559 8.144 -9.891 1.00 1.00 C ATOM 1294 OE1 GLU B 172 2.451 8.170 -10.720 1.00 1.00 O ATOM 1295 OE2 GLU B 172 0.657 8.965 -9.831 1.00 1.00 O ATOM 0 H GLU B 172 3.384 3.418 -9.591 1.00 1.00 H new ATOM 0 HA GLU B 172 2.963 5.286 -7.330 1.00 1.00 H new ATOM 0 HB2 GLU B 172 3.491 6.296 -9.553 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.122 5.458 -10.258 1.00 1.00 H new ATOM 0 HG2 GLU B 172 0.563 6.634 -8.723 1.00 1.00 H new ATOM 0 HG3 GLU B 172 1.906 7.401 -7.900 1.00 1.00 H new ATOM 1302 N VAL B 173 0.694 4.477 -6.806 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.610 3.945 -6.440 1.00 1.00 C ATOM 1304 C VAL B 173 -1.678 4.332 -7.483 1.00 1.00 C ATOM 1305 O VAL B 173 -1.729 5.480 -7.926 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.032 4.458 -5.039 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.666 3.435 -3.959 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.313 5.771 -4.733 1.00 1.00 C ATOM 0 H VAL B 173 1.145 5.038 -6.083 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.531 2.858 -6.412 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.111 4.611 -5.041 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -0.970 3.812 -2.983 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.179 2.494 -4.160 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.411 3.269 -3.965 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.612 6.129 -3.748 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.765 5.608 -4.748 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -0.578 6.515 -5.485 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.540 3.409 -7.862 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.632 3.694 -8.843 1.00 1.00 C ATOM 1320 C PRO B 174 -4.741 4.543 -8.220 1.00 1.00 C ATOM 1321 O PRO B 174 -4.933 4.536 -7.002 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.136 2.298 -9.235 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.868 1.442 -8.043 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.598 2.007 -7.403 1.00 1.00 C ATOM 0 HA PRO B 174 -3.289 4.272 -9.701 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.199 2.316 -9.477 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.614 1.923 -10.116 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.704 1.471 -7.345 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.730 0.400 -8.332 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.642 1.948 -6.316 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.715 1.451 -7.717 1.00 1.00 H new ATOM 1332 N SER B 175 -5.477 5.269 -9.060 1.00 1.00 N ATOM 1333 CA SER B 175 -6.573 6.112 -8.584 1.00 1.00 C ATOM 1334 C SER B 175 -7.817 5.844 -9.415 1.00 1.00 C ATOM 1335 O SER B 175 -8.089 6.545 -10.380 1.00 1.00 O ATOM 1336 CB SER B 175 -6.192 7.587 -8.713 1.00 1.00 C ATOM 1337 OG SER B 175 -5.764 7.845 -10.040 1.00 1.00 O ATOM 0 H SER B 175 -5.335 5.291 -10.070 1.00 1.00 H new ATOM 0 HA SER B 175 -6.770 5.880 -7.537 1.00 1.00 H new ATOM 0 HB2 SER B 175 -7.045 8.218 -8.464 1.00 1.00 H new ATOM 0 HB3 SER B 175 -5.398 7.833 -8.008 1.00 1.00 H new ATOM 0 HG SER B 175 -6.464 7.570 -10.669 1.00 1.00 H new ATOM 1343 N GLU B 176 -8.574 4.821 -9.028 1.00 1.00 N ATOM 1344 CA GLU B 176 -9.793 4.472 -9.755 1.00 1.00 C ATOM 1345 C GLU B 176 -10.980 5.290 -9.234 1.00 1.00 C ATOM 1346 O GLU B 176 -10.870 5.972 -8.214 1.00 1.00 O ATOM 1347 CB GLU B 176 -10.080 2.966 -9.609 1.00 1.00 C ATOM 1348 CG GLU B 176 -9.266 2.170 -10.630 1.00 1.00 C ATOM 1349 CD GLU B 176 -9.645 0.697 -10.560 1.00 1.00 C ATOM 1350 OE1 GLU B 176 -10.130 0.279 -9.533 1.00 1.00 O ATOM 1351 OE2 GLU B 176 -9.439 0.008 -11.550 1.00 1.00 O ATOM 0 H GLU B 176 -8.370 4.225 -8.226 1.00 1.00 H new ATOM 0 HA GLU B 176 -9.650 4.705 -10.810 1.00 1.00 H new ATOM 0 HB2 GLU B 176 -9.832 2.638 -8.600 1.00 1.00 H new ATOM 0 HB3 GLU B 176 -11.143 2.776 -9.753 1.00 1.00 H new ATOM 0 HG2 GLU B 176 -9.449 2.554 -11.633 1.00 1.00 H new ATOM 0 HG3 GLU B 176 -8.201 2.290 -10.432 1.00 1.00 H new ATOM 1358 N PRO B 177 -12.120 5.213 -9.895 1.00 1.00 N ATOM 1359 CA PRO B 177 -13.350 5.940 -9.444 1.00 1.00 C ATOM 1360 C PRO B 177 -13.930 5.329 -8.171 1.00 1.00 C ATOM 1361 O PRO B 177 -15.140 5.132 -8.063 1.00 1.00 O ATOM 1362 CB PRO B 177 -14.330 5.762 -10.610 1.00 1.00 C ATOM 1363 CG PRO B 177 -13.470 5.625 -11.820 1.00 1.00 C ATOM 1364 CD PRO B 177 -12.140 5.018 -11.360 1.00 1.00 C ATOM 0 HA PRO B 177 -13.144 6.984 -9.207 1.00 1.00 H new ATOM 0 HB2 PRO B 177 -14.956 4.881 -10.469 1.00 1.00 H new ATOM 0 HB3 PRO B 177 -15.000 6.618 -10.697 1.00 1.00 H new ATOM 0 HG2 PRO B 177 -13.949 4.987 -12.563 1.00 1.00 H new ATOM 0 HG3 PRO B 177 -13.309 6.595 -12.290 1.00 1.00 H new ATOM 0 HD2 PRO B 177 -12.078 3.961 -11.619 1.00 1.00 H new ATOM 0 HD3 PRO B 177 -11.294 5.513 -11.836 1.00 1.00 H new ATOM 1372 N LEU B 178 -13.050 5.010 -7.220 1.00 1.00 N ATOM 1373 CA LEU B 178 -13.490 4.399 -5.965 1.00 1.00 C ATOM 1374 C LEU B 178 -13.640 5.474 -4.882 1.00 1.00 C ATOM 1375 O LEU B 178 -12.930 6.478 -4.899 1.00 1.00 O ATOM 1376 CB LEU B 178 -12.470 3.318 -5.523 1.00 1.00 C ATOM 1377 CG LEU B 178 -11.050 3.678 -5.988 1.00 1.00 C ATOM 1378 CD1 LEU B 178 -10.570 4.954 -5.277 1.00 1.00 C ATOM 1379 CD2 LEU B 178 -10.120 2.511 -5.660 1.00 1.00 C ATOM 0 H LEU B 178 -12.044 5.162 -7.292 1.00 1.00 H new ATOM 0 HA LEU B 178 -14.460 3.924 -6.116 1.00 1.00 H new ATOM 0 HB2 LEU B 178 -12.487 3.219 -4.438 1.00 1.00 H new ATOM 0 HB3 LEU B 178 -12.758 2.351 -5.936 1.00 1.00 H new ATOM 0 HG LEU B 178 -11.047 3.862 -7.062 1.00 1.00 H new ATOM 0 HD11 LEU B 178 -9.563 5.201 -5.613 1.00 1.00 H new ATOM 0 HD12 LEU B 178 -11.244 5.778 -5.514 1.00 1.00 H new ATOM 0 HD13 LEU B 178 -10.563 4.789 -4.200 1.00 1.00 H new ATOM 0 HD21 LEU B 178 -9.107 2.751 -5.984 1.00 1.00 H new ATOM 0 HD22 LEU B 178 -10.124 2.333 -4.585 1.00 1.00 H new ATOM 0 HD23 LEU B 178 -10.464 1.615 -6.177 1.00 1.00 H new ATOM 1391 N PRO B 179 -14.560 5.286 -3.957 1.00 1.00 N ATOM 1392 CA PRO B 179 -14.800 6.280 -2.864 1.00 1.00 C ATOM 1393 C PRO B 179 -13.510 6.969 -2.420 1.00 1.00 C ATOM 1394 O PRO B 179 -12.450 6.342 -2.358 1.00 1.00 O ATOM 1395 CB PRO B 179 -15.380 5.430 -1.726 1.00 1.00 C ATOM 1396 CG PRO B 179 -16.050 4.270 -2.395 1.00 1.00 C ATOM 1397 CD PRO B 179 -15.330 4.046 -3.734 1.00 1.00 C ATOM 0 HA PRO B 179 -15.459 7.088 -3.182 1.00 1.00 H new ATOM 0 HB2 PRO B 179 -14.595 5.093 -1.049 1.00 1.00 H new ATOM 0 HB3 PRO B 179 -16.090 6.003 -1.130 1.00 1.00 H new ATOM 0 HG2 PRO B 179 -15.990 3.378 -1.771 1.00 1.00 H new ATOM 0 HG3 PRO B 179 -17.108 4.476 -2.556 1.00 1.00 H new ATOM 0 HD2 PRO B 179 -14.675 3.176 -3.691 1.00 1.00 H new ATOM 0 HD3 PRO B 179 -16.041 3.871 -4.541 1.00 1.00 H new TER 1405 PRO B 179