USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 33 GLN : amide:sc= -2.73! C(o=-7.3!,f=-2.5!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -126:sc= -4.53! (180deg=-3.06!) USER MOD Single : A 4 SER OG : rot 33:sc= 0.0733 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00376 USER MOD Single : A 7 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.16) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 85:sc= 1.19 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -12:sc= -0.14 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0948! K(o=-0.095!,f=-1.5) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.082 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 34 HIS : no HE2:sc= 0.074 K(o=0.074,f=-0.45) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -127:sc= -1.06 (180deg=-1.66) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0.992 (180deg=0.635) USER MOD Single : A 60 CYS SG : rot 68:sc= -4.23! USER MOD Single : A 62 GLN : amide:sc= -1.02 X(o=-1,f=-0.83) USER MOD Single : A 63 TYR OH : rot 22:sc= -0.469 USER MOD Single : A 69 LYS NZ :NH3+ -133:sc= -0.313 (180deg=-1.52!) USER MOD Single : A 73 TYR OH : rot -14:sc= -2.3! USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 4 15.162 -9.349 0.302 1.00 1.00 N ATOM 16 CA SER A 4 15.439 -8.059 0.924 1.00 1.00 C ATOM 17 C SER A 4 14.137 -7.371 1.317 1.00 1.00 C ATOM 18 O SER A 4 13.102 -7.567 0.679 1.00 1.00 O ATOM 19 CB SER A 4 16.215 -7.169 -0.047 1.00 1.00 C ATOM 20 OG SER A 4 17.468 -7.774 -0.340 1.00 1.00 O ATOM 0 HA SER A 4 16.037 -8.225 1.820 1.00 1.00 H new ATOM 0 HB2 SER A 4 15.643 -7.027 -0.964 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.368 -6.182 0.389 1.00 1.00 H new ATOM 0 HG SER A 4 17.372 -8.749 -0.327 1.00 1.00 H new ATOM 26 N THR A 5 14.195 -6.571 2.375 1.00 1.00 N ATOM 27 CA THR A 5 13.011 -5.868 2.849 1.00 1.00 C ATOM 28 C THR A 5 12.480 -4.945 1.765 1.00 1.00 C ATOM 29 O THR A 5 11.273 -4.872 1.534 1.00 1.00 O ATOM 30 CB THR A 5 13.351 -5.043 4.094 1.00 1.00 C ATOM 31 OG1 THR A 5 14.126 -5.834 4.986 1.00 1.00 O ATOM 32 CG2 THR A 5 12.064 -4.606 4.794 1.00 1.00 C ATOM 0 H THR A 5 15.041 -6.394 2.916 1.00 1.00 H new ATOM 0 HA THR A 5 12.249 -6.605 3.100 1.00 1.00 H new ATOM 0 HB THR A 5 13.917 -4.160 3.797 1.00 1.00 H new ATOM 0 HG1 THR A 5 14.346 -5.308 5.783 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.312 -4.020 5.679 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.467 -4.000 4.113 1.00 1.00 H new ATOM 0 HG23 THR A 5 11.494 -5.487 5.090 1.00 1.00 H new ATOM 40 N LEU A 6 13.382 -4.227 1.104 1.00 1.00 N ATOM 41 CA LEU A 6 12.975 -3.308 0.057 1.00 1.00 C ATOM 42 C LEU A 6 12.378 -4.066 -1.131 1.00 1.00 C ATOM 43 O LEU A 6 11.347 -3.686 -1.687 1.00 1.00 O ATOM 44 CB LEU A 6 14.196 -2.489 -0.413 1.00 1.00 C ATOM 45 CG LEU A 6 13.747 -1.096 -0.884 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.647 -1.235 -1.939 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.218 -0.277 0.322 1.00 1.00 C ATOM 0 H LEU A 6 14.387 -4.265 1.274 1.00 1.00 H new ATOM 0 HA LEU A 6 12.213 -2.640 0.459 1.00 1.00 H new ATOM 0 HB2 LEU A 6 14.914 -2.392 0.401 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.703 -3.010 -1.225 1.00 1.00 H new ATOM 0 HG LEU A 6 14.599 -0.576 -1.322 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.332 -0.245 -2.269 1.00 1.00 H new ATOM 0 HD12 LEU A 6 13.029 -1.797 -2.791 1.00 1.00 H new ATOM 0 HD13 LEU A 6 11.795 -1.762 -1.509 1.00 1.00 H new ATOM 0 HD21 LEU A 6 12.902 0.709 -0.018 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.370 -0.795 0.770 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.010 -0.168 1.063 1.00 1.00 H new ATOM 59 N GLN A 7 13.039 -5.146 -1.513 1.00 1.00 N ATOM 60 CA GLN A 7 12.573 -5.937 -2.637 1.00 1.00 C ATOM 61 C GLN A 7 11.190 -6.501 -2.354 1.00 1.00 C ATOM 62 O GLN A 7 10.316 -6.495 -3.222 1.00 1.00 O ATOM 63 CB GLN A 7 13.555 -7.081 -2.913 1.00 1.00 C ATOM 64 CG GLN A 7 13.035 -7.952 -4.065 1.00 1.00 C ATOM 65 CD GLN A 7 12.874 -7.108 -5.326 1.00 1.00 C ATOM 66 OE1 GLN A 7 13.860 -6.618 -5.876 1.00 1.00 O ATOM 67 NE2 GLN A 7 11.680 -6.899 -5.810 1.00 1.00 N ATOM 0 H GLN A 7 13.889 -5.491 -1.067 1.00 1.00 H new ATOM 0 HA GLN A 7 12.515 -5.293 -3.515 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.535 -6.677 -3.165 1.00 1.00 H new ATOM 0 HB3 GLN A 7 13.681 -7.687 -2.016 1.00 1.00 H new ATOM 0 HG2 GLN A 7 13.728 -8.773 -4.253 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.079 -8.398 -3.792 1.00 1.00 H new ATOM 0 HE21 GLN A 7 10.865 -7.307 -5.351 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.562 -6.328 -6.647 1.00 1.00 H new ATOM 76 N LYS A 8 10.998 -6.997 -1.142 1.00 1.00 N ATOM 77 CA LYS A 8 9.717 -7.572 -0.770 1.00 1.00 C ATOM 78 C LYS A 8 8.633 -6.504 -0.759 1.00 1.00 C ATOM 79 O LYS A 8 7.525 -6.726 -1.245 1.00 1.00 O ATOM 80 CB LYS A 8 9.822 -8.201 0.613 1.00 1.00 C ATOM 81 CG LYS A 8 8.570 -9.035 0.916 1.00 1.00 C ATOM 82 CD LYS A 8 8.598 -10.340 0.119 1.00 1.00 C ATOM 83 CE LYS A 8 7.629 -11.340 0.734 1.00 1.00 C ATOM 84 NZ LYS A 8 7.684 -12.620 -0.038 1.00 1.00 N ATOM 0 H LYS A 8 11.705 -7.013 -0.407 1.00 1.00 H new ATOM 0 HA LYS A 8 9.452 -8.334 -1.503 1.00 1.00 H new ATOM 0 HB2 LYS A 8 10.709 -8.832 0.666 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.939 -7.422 1.366 1.00 1.00 H new ATOM 0 HG2 LYS A 8 8.519 -9.253 1.983 1.00 1.00 H new ATOM 0 HG3 LYS A 8 7.675 -8.466 0.664 1.00 1.00 H new ATOM 0 HD2 LYS A 8 8.327 -10.149 -0.919 1.00 1.00 H new ATOM 0 HD3 LYS A 8 9.607 -10.753 0.115 1.00 1.00 H new ATOM 0 HE2 LYS A 8 7.888 -11.520 1.778 1.00 1.00 H new ATOM 0 HE3 LYS A 8 6.616 -10.937 0.721 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 7.023 -13.306 0.379 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 7.418 -12.441 -1.027 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 8.650 -13.005 -0.004 1.00 1.00 H new ATOM 98 N ALA A 9 8.957 -5.350 -0.188 1.00 1.00 N ATOM 99 CA ALA A 9 7.995 -4.258 -0.107 1.00 1.00 C ATOM 100 C ALA A 9 7.498 -3.887 -1.505 1.00 1.00 C ATOM 101 O ALA A 9 6.299 -3.687 -1.725 1.00 1.00 O ATOM 102 CB ALA A 9 8.655 -3.039 0.557 1.00 1.00 C ATOM 0 H ALA A 9 9.869 -5.147 0.222 1.00 1.00 H new ATOM 0 HA ALA A 9 7.143 -4.577 0.493 1.00 1.00 H new ATOM 0 HB1 ALA A 9 7.935 -2.223 0.617 1.00 1.00 H new ATOM 0 HB2 ALA A 9 8.985 -3.306 1.561 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.513 -2.722 -0.035 1.00 1.00 H new ATOM 108 N ILE A 10 8.431 -3.818 -2.447 1.00 1.00 N ATOM 109 CA ILE A 10 8.090 -3.494 -3.830 1.00 1.00 C ATOM 110 C ILE A 10 7.217 -4.607 -4.418 1.00 1.00 C ATOM 111 O ILE A 10 6.290 -4.371 -5.177 1.00 1.00 O ATOM 112 CB ILE A 10 9.352 -3.301 -4.671 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.078 -2.031 -4.219 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.969 -3.171 -6.148 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.451 -1.971 -4.890 1.00 1.00 C ATOM 0 H ILE A 10 9.424 -3.981 -2.282 1.00 1.00 H new ATOM 0 HA ILE A 10 7.533 -2.557 -3.845 1.00 1.00 H new ATOM 0 HB ILE A 10 10.009 -4.161 -4.541 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.493 -1.150 -4.482 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.189 -2.028 -3.135 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.869 -3.033 -6.747 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.453 -4.075 -6.471 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.311 -2.312 -6.279 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.972 -1.068 -4.572 1.00 1.00 H new ATOM 0 HD12 ILE A 10 12.034 -2.847 -4.605 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.326 -1.955 -5.973 1.00 1.00 H new ATOM 127 N ASP A 11 7.552 -5.840 -4.104 1.00 1.00 N ATOM 128 CA ASP A 11 6.795 -6.962 -4.634 1.00 1.00 C ATOM 129 C ASP A 11 5.338 -6.883 -4.181 1.00 1.00 C ATOM 130 O ASP A 11 4.408 -7.101 -4.972 1.00 1.00 O ATOM 131 CB ASP A 11 7.408 -8.268 -4.137 1.00 1.00 C ATOM 132 CG ASP A 11 6.895 -9.448 -4.961 1.00 1.00 C ATOM 133 OD1 ASP A 11 6.512 -9.232 -6.098 1.00 1.00 O ATOM 134 OD2 ASP A 11 6.898 -10.550 -4.441 1.00 1.00 O ATOM 0 H ASP A 11 8.330 -6.093 -3.495 1.00 1.00 H new ATOM 0 HA ASP A 11 6.829 -6.926 -5.723 1.00 1.00 H new ATOM 0 HB2 ASP A 11 8.495 -8.215 -4.204 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.160 -8.416 -3.086 1.00 1.00 H new ATOM 139 N LEU A 12 5.138 -6.588 -2.896 1.00 1.00 N ATOM 140 CA LEU A 12 3.787 -6.508 -2.347 1.00 1.00 C ATOM 141 C LEU A 12 3.000 -5.363 -2.968 1.00 1.00 C ATOM 142 O LEU A 12 1.830 -5.521 -3.323 1.00 1.00 O ATOM 143 CB LEU A 12 3.865 -6.289 -0.833 1.00 1.00 C ATOM 144 CG LEU A 12 4.563 -7.485 -0.168 1.00 1.00 C ATOM 145 CD1 LEU A 12 5.067 -7.082 1.220 1.00 1.00 C ATOM 146 CD2 LEU A 12 3.591 -8.666 -0.034 1.00 1.00 C ATOM 0 H LEU A 12 5.884 -6.403 -2.225 1.00 1.00 H new ATOM 0 HA LEU A 12 3.276 -7.444 -2.575 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.412 -5.371 -0.617 1.00 1.00 H new ATOM 0 HB3 LEU A 12 2.863 -6.167 -0.422 1.00 1.00 H new ATOM 0 HG LEU A 12 5.405 -7.788 -0.791 1.00 1.00 H new ATOM 0 HD11 LEU A 12 5.562 -7.933 1.689 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.774 -6.258 1.125 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.224 -6.768 1.836 1.00 1.00 H new ATOM 0 HD21 LEU A 12 4.101 -9.505 0.439 1.00 1.00 H new ATOM 0 HD22 LEU A 12 2.739 -8.368 0.577 1.00 1.00 H new ATOM 0 HD23 LEU A 12 3.242 -8.964 -1.023 1.00 1.00 H new ATOM 158 N VAL A 13 3.645 -4.211 -3.102 1.00 1.00 N ATOM 159 CA VAL A 13 2.983 -3.051 -3.684 1.00 1.00 C ATOM 160 C VAL A 13 2.720 -3.265 -5.173 1.00 1.00 C ATOM 161 O VAL A 13 1.694 -2.837 -5.697 1.00 1.00 O ATOM 162 CB VAL A 13 3.837 -1.793 -3.468 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.958 -1.736 -4.501 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.972 -0.547 -3.598 1.00 1.00 C ATOM 0 H VAL A 13 4.613 -4.056 -2.820 1.00 1.00 H new ATOM 0 HA VAL A 13 2.023 -2.917 -3.186 1.00 1.00 H new ATOM 0 HB VAL A 13 4.268 -1.834 -2.468 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.557 -0.840 -4.339 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.590 -2.618 -4.401 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.529 -1.709 -5.503 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.586 0.340 -3.443 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.530 -0.513 -4.594 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.180 -0.575 -2.850 1.00 1.00 H new ATOM 174 N THR A 14 3.659 -3.919 -5.848 1.00 1.00 N ATOM 175 CA THR A 14 3.515 -4.167 -7.276 1.00 1.00 C ATOM 176 C THR A 14 2.212 -4.932 -7.524 1.00 1.00 C ATOM 177 O THR A 14 1.375 -4.540 -8.353 1.00 1.00 O ATOM 178 CB THR A 14 4.716 -4.990 -7.776 1.00 1.00 C ATOM 179 OG1 THR A 14 5.873 -4.164 -7.820 1.00 1.00 O ATOM 180 CG2 THR A 14 4.424 -5.540 -9.173 1.00 1.00 C ATOM 0 H THR A 14 4.518 -4.283 -5.435 1.00 1.00 H new ATOM 0 HA THR A 14 3.484 -3.221 -7.817 1.00 1.00 H new ATOM 0 HB THR A 14 4.890 -5.822 -7.094 1.00 1.00 H new ATOM 0 HG1 THR A 14 6.298 -4.149 -6.937 1.00 1.00 H new ATOM 0 HG21 THR A 14 5.278 -6.121 -9.521 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.541 -6.178 -9.136 1.00 1.00 H new ATOM 0 HG23 THR A 14 4.244 -4.713 -9.860 1.00 1.00 H new ATOM 188 N LYS A 15 2.028 -6.016 -6.782 1.00 1.00 N ATOM 189 CA LYS A 15 0.809 -6.796 -6.920 1.00 1.00 C ATOM 190 C LYS A 15 -0.387 -5.950 -6.492 1.00 1.00 C ATOM 191 O LYS A 15 -1.435 -5.969 -7.116 1.00 1.00 O ATOM 192 CB LYS A 15 0.898 -8.055 -6.075 1.00 1.00 C ATOM 193 CG LYS A 15 -0.336 -8.939 -6.316 1.00 1.00 C ATOM 194 CD LYS A 15 -0.041 -10.360 -5.849 1.00 1.00 C ATOM 195 CE LYS A 15 0.603 -10.340 -4.457 1.00 1.00 C ATOM 196 NZ LYS A 15 0.481 -11.680 -3.828 1.00 1.00 N ATOM 0 H LYS A 15 2.692 -6.368 -6.093 1.00 1.00 H new ATOM 0 HA LYS A 15 0.682 -7.089 -7.962 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.805 -8.606 -6.324 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.965 -7.790 -5.020 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.195 -8.538 -5.777 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.596 -8.939 -7.375 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -0.963 -10.940 -5.822 1.00 1.00 H new ATOM 0 HD3 LYS A 15 0.625 -10.852 -6.558 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.653 -10.059 -4.536 1.00 1.00 H new ATOM 0 HE3 LYS A 15 0.118 -9.589 -3.833 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 0.919 -11.662 -2.885 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -0.524 -11.931 -3.738 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 0.963 -12.386 -4.420 1.00 1.00 H new ATOM 210 N ALA A 16 -0.229 -5.201 -5.413 1.00 1.00 N ATOM 211 CA ALA A 16 -1.315 -4.364 -4.925 1.00 1.00 C ATOM 212 C ALA A 16 -1.862 -3.488 -6.046 1.00 1.00 C ATOM 213 O ALA A 16 -3.076 -3.343 -6.201 1.00 1.00 O ATOM 214 CB ALA A 16 -0.798 -3.469 -3.792 1.00 1.00 C ATOM 0 H ALA A 16 0.629 -5.154 -4.863 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.115 -5.008 -4.559 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.610 -2.841 -3.425 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.424 -4.091 -2.979 1.00 1.00 H new ATOM 0 HB3 ALA A 16 0.008 -2.838 -4.166 1.00 1.00 H new ATOM 220 N THR A 17 -0.962 -2.895 -6.818 1.00 1.00 N ATOM 221 CA THR A 17 -1.369 -2.026 -7.909 1.00 1.00 C ATOM 222 C THR A 17 -2.119 -2.811 -8.972 1.00 1.00 C ATOM 223 O THR A 17 -3.108 -2.330 -9.527 1.00 1.00 O ATOM 224 CB THR A 17 -0.135 -1.360 -8.538 1.00 1.00 C ATOM 225 OG1 THR A 17 0.816 -2.359 -8.877 1.00 1.00 O ATOM 226 CG2 THR A 17 0.503 -0.371 -7.552 1.00 1.00 C ATOM 0 H THR A 17 0.047 -2.999 -6.709 1.00 1.00 H new ATOM 0 HA THR A 17 -2.032 -1.260 -7.507 1.00 1.00 H new ATOM 0 HB THR A 17 -0.445 -0.818 -9.432 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.554 -3.211 -8.470 1.00 1.00 H new ATOM 0 HG21 THR A 17 1.375 0.091 -8.014 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.221 0.401 -7.291 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.808 -0.902 -6.650 1.00 1.00 H new ATOM 234 N GLU A 18 -1.672 -4.030 -9.229 1.00 1.00 N ATOM 235 CA GLU A 18 -2.348 -4.863 -10.220 1.00 1.00 C ATOM 236 C GLU A 18 -3.765 -5.225 -9.740 1.00 1.00 C ATOM 237 O GLU A 18 -4.711 -5.288 -10.530 1.00 1.00 O ATOM 238 CB GLU A 18 -1.505 -6.133 -10.490 1.00 1.00 C ATOM 239 CG GLU A 18 -2.099 -7.351 -9.776 1.00 1.00 C ATOM 240 CD GLU A 18 -1.212 -8.563 -9.949 1.00 1.00 C ATOM 241 OE1 GLU A 18 -0.007 -8.397 -9.935 1.00 1.00 O ATOM 242 OE2 GLU A 18 -1.756 -9.644 -10.090 1.00 1.00 O ATOM 0 H GLU A 18 -0.864 -4.460 -8.779 1.00 1.00 H new ATOM 0 HA GLU A 18 -2.447 -4.308 -11.153 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.460 -6.322 -11.562 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.481 -5.973 -10.152 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.220 -7.132 -8.715 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.092 -7.562 -10.173 1.00 1.00 H new ATOM 249 N GLU A 19 -3.888 -5.490 -8.442 1.00 1.00 N ATOM 250 CA GLU A 19 -5.167 -5.863 -7.873 1.00 1.00 C ATOM 251 C GLU A 19 -6.121 -4.681 -7.943 1.00 1.00 C ATOM 252 O GLU A 19 -7.300 -4.836 -8.249 1.00 1.00 O ATOM 253 CB GLU A 19 -4.982 -6.310 -6.419 1.00 1.00 C ATOM 254 CG GLU A 19 -4.342 -7.703 -6.369 1.00 1.00 C ATOM 255 CD GLU A 19 -5.298 -8.742 -6.949 1.00 1.00 C ATOM 256 OE1 GLU A 19 -6.432 -8.790 -6.497 1.00 1.00 O ATOM 257 OE2 GLU A 19 -4.886 -9.471 -7.834 1.00 1.00 O ATOM 0 H GLU A 19 -3.119 -5.452 -7.773 1.00 1.00 H new ATOM 0 HA GLU A 19 -5.587 -6.692 -8.442 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.354 -5.594 -5.888 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -5.946 -6.327 -5.911 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -3.408 -7.703 -6.931 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.094 -7.961 -5.339 1.00 1.00 H new ATOM 264 N ASP A 20 -5.592 -3.494 -7.677 1.00 1.00 N ATOM 265 CA ASP A 20 -6.406 -2.289 -7.724 1.00 1.00 C ATOM 266 C ASP A 20 -7.017 -2.132 -9.114 1.00 1.00 C ATOM 267 O ASP A 20 -8.189 -1.778 -9.250 1.00 1.00 O ATOM 268 CB ASP A 20 -5.547 -1.067 -7.395 1.00 1.00 C ATOM 269 CG ASP A 20 -6.440 0.132 -7.092 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.591 0.107 -7.497 1.00 1.00 O ATOM 271 OD2 ASP A 20 -5.960 1.058 -6.460 1.00 1.00 O ATOM 0 H ASP A 20 -4.614 -3.341 -7.429 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.206 -2.371 -6.988 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -4.908 -1.281 -6.538 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -4.889 -0.838 -8.233 1.00 1.00 H new ATOM 276 N LYS A 21 -6.220 -2.410 -10.140 1.00 1.00 N ATOM 277 CA LYS A 21 -6.709 -2.305 -11.520 1.00 1.00 C ATOM 278 C LYS A 21 -7.794 -3.353 -11.750 1.00 1.00 C ATOM 279 O LYS A 21 -8.795 -3.085 -12.420 1.00 1.00 O ATOM 280 CB LYS A 21 -5.565 -2.534 -12.500 1.00 1.00 C ATOM 281 CG LYS A 21 -4.481 -1.478 -12.260 1.00 1.00 C ATOM 282 CD LYS A 21 -3.230 -1.820 -13.090 1.00 1.00 C ATOM 283 CE LYS A 21 -1.990 -1.223 -12.430 1.00 1.00 C ATOM 284 NZ LYS A 21 -0.877 -1.165 -13.410 1.00 1.00 N ATOM 0 H LYS A 21 -5.248 -2.705 -10.051 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.118 -1.308 -11.681 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.152 -3.534 -12.369 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -5.930 -2.472 -13.525 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -4.854 -0.491 -12.536 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -4.227 -1.438 -11.201 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -3.123 -2.901 -13.174 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -3.337 -1.431 -14.102 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.211 -0.223 -12.057 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -1.698 -1.826 -11.570 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -0.035 -0.758 -12.955 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -0.659 -2.125 -13.745 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -1.156 -0.572 -14.217 1.00 1.00 H new ATOM 298 N ALA A 22 -7.579 -4.555 -11.210 1.00 1.00 N ATOM 299 CA ALA A 22 -8.542 -5.638 -11.380 1.00 1.00 C ATOM 300 C ALA A 22 -9.774 -5.401 -10.510 1.00 1.00 C ATOM 301 O ALA A 22 -10.590 -6.295 -10.340 1.00 1.00 O ATOM 302 CB ALA A 22 -7.902 -6.975 -11.000 1.00 1.00 C ATOM 0 H ALA A 22 -6.756 -4.798 -10.658 1.00 1.00 H new ATOM 0 HA ALA A 22 -8.846 -5.665 -12.426 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -8.629 -7.777 -11.130 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -7.039 -7.160 -11.640 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -7.581 -6.942 -9.959 1.00 1.00 H new ATOM 308 N LYS A 23 -9.885 -4.190 -9.981 1.00 1.00 N ATOM 309 CA LYS A 23 -11.010 -3.828 -9.138 1.00 1.00 C ATOM 310 C LYS A 23 -11.010 -4.645 -7.854 1.00 1.00 C ATOM 311 O LYS A 23 -12.070 -4.899 -7.268 1.00 1.00 O ATOM 312 CB LYS A 23 -12.330 -4.065 -9.894 1.00 1.00 C ATOM 313 CG LYS A 23 -12.240 -3.439 -11.280 1.00 1.00 C ATOM 314 CD LYS A 23 -12.060 -1.923 -11.160 1.00 1.00 C ATOM 315 CE LYS A 23 -12.380 -1.261 -12.500 1.00 1.00 C ATOM 316 NZ LYS A 23 -12.290 0.218 -12.350 1.00 1.00 N ATOM 0 H LYS A 23 -9.206 -3.442 -10.123 1.00 1.00 H new ATOM 0 HA LYS A 23 -10.917 -2.773 -8.882 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.527 -5.134 -9.978 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.162 -3.630 -9.340 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.403 -3.870 -11.829 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.143 -3.662 -11.848 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -12.715 -1.529 -10.383 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.037 -1.690 -10.863 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -11.683 -1.604 -13.264 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -13.379 -1.545 -12.830 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -12.507 0.673 -13.260 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -12.972 0.536 -11.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -11.328 0.479 -12.053 1.00 1.00 H new ATOM 330 N ASN A 24 -9.829 -5.046 -7.412 1.00 1.00 N ATOM 331 CA ASN A 24 -9.701 -5.826 -6.181 1.00 1.00 C ATOM 332 C ASN A 24 -9.261 -4.915 -5.031 1.00 1.00 C ATOM 333 O ASN A 24 -8.159 -5.035 -4.510 1.00 1.00 O ATOM 334 CB ASN A 24 -8.680 -6.967 -6.394 1.00 1.00 C ATOM 335 CG ASN A 24 -9.390 -8.301 -6.576 1.00 1.00 C ATOM 336 OD1 ASN A 24 -10.490 -8.349 -7.118 1.00 1.00 O ATOM 337 ND2 ASN A 24 -8.822 -9.385 -6.131 1.00 1.00 N ATOM 0 H ASN A 24 -8.945 -4.848 -7.882 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.666 -6.263 -5.925 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.067 -6.754 -7.270 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.006 -7.022 -5.539 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.292 -10.285 -6.231 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.908 -9.334 -5.682 1.00 1.00 H new ATOM 344 N TYR A 25 -10.130 -4.003 -4.642 1.00 1.00 N ATOM 345 CA TYR A 25 -9.814 -3.082 -3.560 1.00 1.00 C ATOM 346 C TYR A 25 -9.444 -3.849 -2.296 1.00 1.00 C ATOM 347 O TYR A 25 -8.491 -3.495 -1.608 1.00 1.00 O ATOM 348 CB TYR A 25 -11.020 -2.192 -3.277 1.00 1.00 C ATOM 349 CG TYR A 25 -11.670 -1.789 -4.581 1.00 1.00 C ATOM 350 CD1 TYR A 25 -10.890 -1.297 -5.634 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.060 -1.910 -4.736 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.490 -0.927 -6.837 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.660 -1.541 -5.943 1.00 1.00 C ATOM 354 CZ TYR A 25 -12.880 -1.048 -6.994 1.00 1.00 C ATOM 355 OH TYR A 25 -13.470 -0.683 -8.185 1.00 1.00 O ATOM 0 H TYR A 25 -11.055 -3.877 -5.053 1.00 1.00 H new ATOM 0 HA TYR A 25 -8.965 -2.469 -3.861 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.737 -2.722 -2.650 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.709 -1.305 -2.725 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -9.821 -1.204 -5.514 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.664 -2.287 -3.924 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -10.886 -0.547 -7.648 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -14.729 -1.637 -6.065 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.437 -0.830 -8.129 1.00 1.00 H new ATOM 365 N GLU A 26 -10.200 -4.895 -1.991 1.00 1.00 N ATOM 366 CA GLU A 26 -9.924 -5.685 -0.794 1.00 1.00 C ATOM 367 C GLU A 26 -8.515 -6.273 -0.833 1.00 1.00 C ATOM 368 O GLU A 26 -7.723 -6.087 0.101 1.00 1.00 O ATOM 369 CB GLU A 26 -10.940 -6.825 -0.692 1.00 1.00 C ATOM 370 CG GLU A 26 -12.260 -6.285 -0.149 1.00 1.00 C ATOM 371 CD GLU A 26 -13.320 -7.392 -0.131 1.00 1.00 C ATOM 372 OE1 GLU A 26 -12.980 -8.513 -0.479 1.00 1.00 O ATOM 373 OE2 GLU A 26 -14.450 -7.104 0.230 1.00 1.00 O ATOM 0 H GLU A 26 -10.996 -5.214 -2.543 1.00 1.00 H new ATOM 0 HA GLU A 26 -10.002 -5.029 0.073 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -11.095 -7.276 -1.672 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -10.559 -7.608 -0.037 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -12.114 -5.895 0.858 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -12.602 -5.454 -0.766 1.00 1.00 H new ATOM 380 N GLU A 27 -8.202 -6.975 -1.915 1.00 1.00 N ATOM 381 CA GLU A 27 -6.887 -7.584 -2.048 1.00 1.00 C ATOM 382 C GLU A 27 -5.809 -6.504 -2.138 1.00 1.00 C ATOM 383 O GLU A 27 -4.777 -6.583 -1.469 1.00 1.00 O ATOM 384 CB GLU A 27 -6.843 -8.472 -3.305 1.00 1.00 C ATOM 385 CG GLU A 27 -5.841 -9.609 -3.112 1.00 1.00 C ATOM 386 CD GLU A 27 -6.417 -10.650 -2.164 1.00 1.00 C ATOM 387 OE1 GLU A 27 -7.626 -10.670 -2.000 1.00 1.00 O ATOM 388 OE2 GLU A 27 -5.640 -11.410 -1.611 1.00 1.00 O ATOM 0 H GLU A 27 -8.831 -7.135 -2.702 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.696 -8.199 -1.169 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -7.833 -8.880 -3.506 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -6.563 -7.874 -4.172 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -5.609 -10.068 -4.073 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -4.906 -9.217 -2.712 1.00 1.00 H new ATOM 395 N ALA A 28 -6.058 -5.496 -2.967 1.00 1.00 N ATOM 396 CA ALA A 28 -5.109 -4.412 -3.141 1.00 1.00 C ATOM 397 C ALA A 28 -4.818 -3.751 -1.807 1.00 1.00 C ATOM 398 O ALA A 28 -3.662 -3.483 -1.484 1.00 1.00 O ATOM 399 CB ALA A 28 -5.674 -3.374 -4.115 1.00 1.00 C ATOM 0 H ALA A 28 -6.907 -5.411 -3.526 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.183 -4.820 -3.546 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -4.956 -2.564 -4.240 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -5.862 -3.845 -5.080 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.607 -2.974 -3.719 1.00 1.00 H new ATOM 405 N LEU A 29 -5.863 -3.483 -1.026 1.00 1.00 N ATOM 406 CA LEU A 29 -5.685 -2.839 0.259 1.00 1.00 C ATOM 407 C LEU A 29 -4.777 -3.652 1.162 1.00 1.00 C ATOM 408 O LEU A 29 -3.865 -3.107 1.785 1.00 1.00 O ATOM 409 CB LEU A 29 -7.056 -2.684 0.942 1.00 1.00 C ATOM 410 CG LEU A 29 -6.896 -2.135 2.371 1.00 1.00 C ATOM 411 CD1 LEU A 29 -6.439 -0.697 2.329 1.00 1.00 C ATOM 412 CD2 LEU A 29 -8.219 -2.231 3.118 1.00 1.00 C ATOM 0 H LEU A 29 -6.830 -3.702 -1.264 1.00 1.00 H new ATOM 0 HA LEU A 29 -5.226 -1.865 0.091 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.684 -2.012 0.358 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.563 -3.648 0.973 1.00 1.00 H new ATOM 0 HG LEU A 29 -6.146 -2.731 2.892 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -6.330 -0.320 3.346 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -5.480 -0.635 1.814 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -7.177 -0.096 1.797 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -8.096 -1.840 4.128 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -8.976 -1.648 2.593 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -8.534 -3.273 3.168 1.00 1.00 H new ATOM 424 N ARG A 30 -5.036 -4.949 1.247 1.00 1.00 N ATOM 425 CA ARG A 30 -4.225 -5.803 2.105 1.00 1.00 C ATOM 426 C ARG A 30 -2.754 -5.731 1.700 1.00 1.00 C ATOM 427 O ARG A 30 -1.860 -5.648 2.553 1.00 1.00 O ATOM 428 CB ARG A 30 -4.723 -7.243 1.999 1.00 1.00 C ATOM 429 CG ARG A 30 -6.067 -7.384 2.717 1.00 1.00 C ATOM 430 CD ARG A 30 -6.583 -8.817 2.562 1.00 1.00 C ATOM 431 NE ARG A 30 -7.877 -8.961 3.225 1.00 1.00 N ATOM 432 CZ ARG A 30 -7.963 -9.266 4.516 1.00 1.00 C ATOM 433 NH1 ARG A 30 -6.878 -9.446 5.218 1.00 1.00 N ATOM 434 NH2 ARG A 30 -9.133 -9.387 5.081 1.00 1.00 N ATOM 0 H ARG A 30 -5.785 -5.426 0.744 1.00 1.00 H new ATOM 0 HA ARG A 30 -4.315 -5.458 3.135 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -4.829 -7.524 0.951 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -3.993 -7.923 2.439 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -5.954 -7.139 3.773 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -6.788 -6.680 2.302 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -6.678 -9.065 1.505 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.866 -9.518 2.990 1.00 1.00 H new ATOM 0 HE ARG A 30 -8.732 -8.825 2.686 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -5.963 -9.353 4.776 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -6.944 -9.680 6.209 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -9.981 -9.248 4.532 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -9.199 -9.621 6.072 1.00 1.00 H new ATOM 448 N LEU A 31 -2.508 -5.760 0.397 1.00 1.00 N ATOM 449 CA LEU A 31 -1.145 -5.695 -0.110 1.00 1.00 C ATOM 450 C LEU A 31 -0.531 -4.328 0.163 1.00 1.00 C ATOM 451 O LEU A 31 0.651 -4.223 0.491 1.00 1.00 O ATOM 452 CB LEU A 31 -1.136 -5.980 -1.610 1.00 1.00 C ATOM 453 CG LEU A 31 -1.702 -7.378 -1.867 1.00 1.00 C ATOM 454 CD1 LEU A 31 -1.908 -7.569 -3.371 1.00 1.00 C ATOM 455 CD2 LEU A 31 -0.744 -8.453 -1.335 1.00 1.00 C ATOM 0 H LEU A 31 -3.228 -5.828 -0.322 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.549 -6.448 0.405 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.730 -5.233 -2.136 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.120 -5.910 -1.998 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.655 -7.476 -1.347 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -2.311 -8.564 -3.560 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.606 -6.818 -3.741 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -0.953 -7.461 -3.886 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -1.163 -9.441 -1.527 1.00 1.00 H new ATOM 0 HD22 LEU A 31 0.219 -8.363 -1.838 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -0.607 -8.319 -0.262 1.00 1.00 H new ATOM 467 N TYR A 32 -1.335 -3.281 0.017 1.00 1.00 N ATOM 468 CA TYR A 32 -0.844 -1.929 0.241 1.00 1.00 C ATOM 469 C TYR A 32 -0.324 -1.767 1.668 1.00 1.00 C ATOM 470 O TYR A 32 0.778 -1.257 1.886 1.00 1.00 O ATOM 471 CB TYR A 32 -1.979 -0.914 -0.010 1.00 1.00 C ATOM 472 CG TYR A 32 -2.012 -0.505 -1.467 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.900 0.134 -2.031 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.142 -0.766 -2.250 1.00 1.00 C ATOM 475 CE1 TYR A 32 -0.917 0.515 -3.376 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.154 -0.390 -3.598 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.043 0.250 -4.157 1.00 1.00 C ATOM 478 OH TYR A 32 -2.054 0.606 -5.485 1.00 1.00 O ATOM 0 H TYR A 32 -2.317 -3.341 -0.252 1.00 1.00 H new ATOM 0 HA TYR A 32 -0.023 -1.744 -0.452 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.936 -1.353 0.272 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.834 -0.035 0.617 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -0.028 0.333 -1.426 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -4.001 -1.256 -1.816 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.062 1.013 -3.809 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.022 -0.594 -4.207 1.00 1.00 H new ATOM 0 HH TYR A 32 -2.911 0.350 -5.885 1.00 1.00 H new ATOM 488 N GLN A 33 -1.124 -2.197 2.630 1.00 1.00 N ATOM 489 CA GLN A 33 -0.739 -2.081 4.028 1.00 1.00 C ATOM 490 C GLN A 33 0.516 -2.899 4.309 1.00 1.00 C ATOM 491 O GLN A 33 1.441 -2.434 4.985 1.00 1.00 O ATOM 492 CB GLN A 33 -1.884 -2.573 4.920 1.00 1.00 C ATOM 493 CG GLN A 33 -3.087 -1.637 4.782 1.00 1.00 C ATOM 494 CD GLN A 33 -4.241 -2.141 5.645 1.00 1.00 C ATOM 495 OE1 GLN A 33 -4.089 -3.115 6.381 1.00 1.00 O ATOM 496 NE2 GLN A 33 -5.392 -1.528 5.596 1.00 1.00 N ATOM 0 H GLN A 33 -2.036 -2.626 2.472 1.00 1.00 H new ATOM 0 HA GLN A 33 -0.529 -1.034 4.245 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -2.167 -3.587 4.638 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -1.558 -2.610 5.959 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.809 -0.627 5.085 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -3.399 -1.583 3.739 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -5.514 -0.721 4.985 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -6.169 -1.856 6.169 1.00 1.00 H new ATOM 505 N HIS A 34 0.548 -4.117 3.782 1.00 1.00 N ATOM 506 CA HIS A 34 1.704 -4.985 3.993 1.00 1.00 C ATOM 507 C HIS A 34 2.969 -4.352 3.410 1.00 1.00 C ATOM 508 O HIS A 34 4.003 -4.268 4.075 1.00 1.00 O ATOM 509 CB HIS A 34 1.449 -6.352 3.325 1.00 1.00 C ATOM 510 CG HIS A 34 0.795 -7.288 4.305 1.00 1.00 C ATOM 511 ND1 HIS A 34 -0.481 -7.790 4.113 1.00 1.00 N ATOM 512 CD2 HIS A 34 1.229 -7.808 5.495 1.00 1.00 C ATOM 513 CE1 HIS A 34 -0.768 -8.579 5.165 1.00 1.00 C ATOM 514 NE2 HIS A 34 0.241 -8.625 6.038 1.00 1.00 N ATOM 0 H HIS A 34 -0.197 -4.522 3.215 1.00 1.00 H new ATOM 0 HA HIS A 34 1.849 -5.121 5.065 1.00 1.00 H new ATOM 0 HB2 HIS A 34 0.812 -6.225 2.450 1.00 1.00 H new ATOM 0 HB3 HIS A 34 2.390 -6.777 2.976 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -1.092 -7.597 3.319 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.192 -7.614 5.944 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -1.700 -9.110 5.288 1.00 1.00 H new ATOM 523 N ALA A 35 2.876 -3.907 2.170 1.00 1.00 N ATOM 524 CA ALA A 35 4.018 -3.295 1.508 1.00 1.00 C ATOM 525 C ALA A 35 4.579 -2.154 2.346 1.00 1.00 C ATOM 526 O ALA A 35 5.786 -2.082 2.580 1.00 1.00 O ATOM 527 CB ALA A 35 3.608 -2.767 0.136 1.00 1.00 C ATOM 0 H ALA A 35 2.029 -3.956 1.603 1.00 1.00 H new ATOM 0 HA ALA A 35 4.790 -4.055 1.388 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.470 -2.311 -0.351 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.239 -3.591 -0.476 1.00 1.00 H new ATOM 0 HB3 ALA A 35 2.821 -2.022 0.253 1.00 1.00 H new ATOM 533 N VAL A 36 3.697 -1.275 2.802 1.00 1.00 N ATOM 534 CA VAL A 36 4.122 -0.141 3.615 1.00 1.00 C ATOM 535 C VAL A 36 4.915 -0.622 4.824 1.00 1.00 C ATOM 536 O VAL A 36 5.954 -0.052 5.162 1.00 1.00 O ATOM 537 CB VAL A 36 2.894 0.663 4.080 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.306 1.619 5.213 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.320 1.468 2.889 1.00 1.00 C ATOM 0 H VAL A 36 2.693 -1.323 2.626 1.00 1.00 H new ATOM 0 HA VAL A 36 4.762 0.501 3.010 1.00 1.00 H new ATOM 0 HB VAL A 36 2.129 -0.019 4.449 1.00 1.00 H new ATOM 0 HG11 VAL A 36 2.437 2.188 5.543 1.00 1.00 H new ATOM 0 HG12 VAL A 36 3.701 1.043 6.050 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.072 2.304 4.850 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.451 2.037 3.219 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.080 2.153 2.513 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.024 0.782 2.095 1.00 1.00 H new ATOM 549 N GLU A 37 4.415 -1.659 5.475 1.00 1.00 N ATOM 550 CA GLU A 37 5.090 -2.190 6.655 1.00 1.00 C ATOM 551 C GLU A 37 6.538 -2.543 6.328 1.00 1.00 C ATOM 552 O GLU A 37 7.462 -2.152 7.042 1.00 1.00 O ATOM 553 CB GLU A 37 4.368 -3.444 7.133 1.00 1.00 C ATOM 554 CG GLU A 37 4.819 -3.787 8.557 1.00 1.00 C ATOM 555 CD GLU A 37 4.071 -5.015 9.065 1.00 1.00 C ATOM 556 OE1 GLU A 37 3.072 -5.368 8.461 1.00 1.00 O ATOM 557 OE2 GLU A 37 4.509 -5.584 10.052 1.00 1.00 O ATOM 0 H GLU A 37 3.557 -2.146 5.215 1.00 1.00 H new ATOM 0 HA GLU A 37 5.076 -1.430 7.436 1.00 1.00 H new ATOM 0 HB2 GLU A 37 3.290 -3.286 7.111 1.00 1.00 H new ATOM 0 HB3 GLU A 37 4.582 -4.277 6.463 1.00 1.00 H new ATOM 0 HG2 GLU A 37 5.893 -3.975 8.571 1.00 1.00 H new ATOM 0 HG3 GLU A 37 4.635 -2.940 9.218 1.00 1.00 H new ATOM 564 N TYR A 38 6.728 -3.280 5.240 1.00 1.00 N ATOM 565 CA TYR A 38 8.076 -3.670 4.832 1.00 1.00 C ATOM 566 C TYR A 38 8.914 -2.437 4.495 1.00 1.00 C ATOM 567 O TYR A 38 10.102 -2.376 4.811 1.00 1.00 O ATOM 568 CB TYR A 38 8.017 -4.607 3.617 1.00 1.00 C ATOM 569 CG TYR A 38 7.721 -6.019 4.075 1.00 1.00 C ATOM 570 CD1 TYR A 38 6.469 -6.334 4.604 1.00 1.00 C ATOM 571 CD2 TYR A 38 8.703 -7.010 3.967 1.00 1.00 C ATOM 572 CE1 TYR A 38 6.193 -7.636 5.028 1.00 1.00 C ATOM 573 CE2 TYR A 38 8.430 -8.313 4.389 1.00 1.00 C ATOM 574 CZ TYR A 38 7.174 -8.627 4.919 1.00 1.00 C ATOM 575 OH TYR A 38 6.904 -9.912 5.340 1.00 1.00 O ATOM 0 H TYR A 38 5.981 -3.616 4.632 1.00 1.00 H new ATOM 0 HA TYR A 38 8.544 -4.196 5.664 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.247 -4.270 2.923 1.00 1.00 H new ATOM 0 HB3 TYR A 38 8.964 -4.580 3.079 1.00 1.00 H new ATOM 0 HD1 TYR A 38 5.711 -5.569 4.686 1.00 1.00 H new ATOM 0 HD2 TYR A 38 9.672 -6.767 3.557 1.00 1.00 H new ATOM 0 HE1 TYR A 38 5.224 -7.877 5.439 1.00 1.00 H new ATOM 0 HE2 TYR A 38 9.188 -9.078 4.306 1.00 1.00 H new ATOM 0 HH TYR A 38 7.692 -10.477 5.193 1.00 1.00 H new ATOM 585 N PHE A 39 8.293 -1.462 3.849 1.00 1.00 N ATOM 586 CA PHE A 39 9.007 -0.243 3.477 1.00 1.00 C ATOM 587 C PHE A 39 9.533 0.480 4.725 1.00 1.00 C ATOM 588 O PHE A 39 10.724 0.836 4.818 1.00 1.00 O ATOM 589 CB PHE A 39 8.058 0.688 2.694 1.00 1.00 C ATOM 590 CG PHE A 39 8.033 0.301 1.231 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.202 0.399 0.471 1.00 1.00 C ATOM 592 CD2 PHE A 39 6.850 -0.156 0.634 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.191 0.040 -0.879 1.00 1.00 C ATOM 594 CE2 PHE A 39 6.840 -0.514 -0.716 1.00 1.00 C ATOM 595 CZ PHE A 39 8.009 -0.418 -1.471 1.00 1.00 C ATOM 0 H PHE A 39 7.311 -1.486 3.573 1.00 1.00 H new ATOM 0 HA PHE A 39 9.858 -0.511 2.851 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.053 0.628 3.111 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.385 1.723 2.798 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.115 0.753 0.928 1.00 1.00 H new ATOM 0 HD2 PHE A 39 5.945 -0.231 1.219 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.095 0.116 -1.466 1.00 1.00 H new ATOM 0 HE2 PHE A 39 5.928 -0.865 -1.175 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.002 -0.698 -2.514 1.00 1.00 H new ATOM 605 N LEU A 40 8.643 0.684 5.683 1.00 1.00 N ATOM 606 CA LEU A 40 9.007 1.357 6.912 1.00 1.00 C ATOM 607 C LEU A 40 10.053 0.545 7.649 1.00 1.00 C ATOM 608 O LEU A 40 11.001 1.081 8.177 1.00 1.00 O ATOM 609 CB LEU A 40 7.776 1.529 7.803 1.00 1.00 C ATOM 610 CG LEU A 40 6.766 2.460 7.117 1.00 1.00 C ATOM 611 CD1 LEU A 40 5.409 2.336 7.811 1.00 1.00 C ATOM 612 CD2 LEU A 40 7.243 3.920 7.193 1.00 1.00 C ATOM 0 H LEU A 40 7.667 0.393 5.630 1.00 1.00 H new ATOM 0 HA LEU A 40 9.412 2.339 6.669 1.00 1.00 H new ATOM 0 HB2 LEU A 40 7.318 0.559 7.997 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.069 1.942 8.768 1.00 1.00 H new ATOM 0 HG LEU A 40 6.677 2.171 6.070 1.00 1.00 H new ATOM 0 HD11 LEU A 40 4.690 2.996 7.325 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.059 1.306 7.744 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.509 2.617 8.859 1.00 1.00 H new ATOM 0 HD21 LEU A 40 6.516 4.566 6.702 1.00 1.00 H new ATOM 0 HD22 LEU A 40 7.345 4.216 8.237 1.00 1.00 H new ATOM 0 HD23 LEU A 40 8.207 4.014 6.694 1.00 1.00 H new ATOM 624 N HIS A 41 9.883 -0.760 7.664 1.00 1.00 N ATOM 625 CA HIS A 41 10.838 -1.630 8.342 1.00 1.00 C ATOM 626 C HIS A 41 12.217 -1.534 7.697 1.00 1.00 C ATOM 627 O HIS A 41 13.236 -1.649 8.362 1.00 1.00 O ATOM 628 CB HIS A 41 10.351 -3.081 8.283 1.00 1.00 C ATOM 629 CG HIS A 41 11.102 -3.917 9.287 1.00 1.00 C ATOM 630 ND1 HIS A 41 10.650 -4.102 10.584 1.00 1.00 N ATOM 631 CD2 HIS A 41 12.276 -4.624 9.196 1.00 1.00 C ATOM 632 CE1 HIS A 41 11.538 -4.891 11.216 1.00 1.00 C ATOM 633 NE2 HIS A 41 12.550 -5.236 10.416 1.00 1.00 N ATOM 0 H HIS A 41 9.102 -1.244 7.221 1.00 1.00 H new ATOM 0 HA HIS A 41 10.915 -1.307 9.380 1.00 1.00 H new ATOM 0 HB2 HIS A 41 9.282 -3.123 8.489 1.00 1.00 H new ATOM 0 HB3 HIS A 41 10.498 -3.482 7.280 1.00 1.00 H new ATOM 0 HD2 HIS A 41 12.893 -4.694 8.312 1.00 1.00 H new ATOM 0 HE1 HIS A 41 11.444 -5.207 12.245 1.00 1.00 H new ATOM 0 HE2 HIS A 41 13.352 -5.822 10.649 1.00 1.00 H new ATOM 642 N ALA A 42 12.244 -1.348 6.393 1.00 1.00 N ATOM 643 CA ALA A 42 13.515 -1.270 5.685 1.00 1.00 C ATOM 644 C ALA A 42 14.334 -0.047 6.085 1.00 1.00 C ATOM 645 O ALA A 42 15.512 -0.137 6.392 1.00 1.00 O ATOM 646 CB ALA A 42 13.274 -1.188 4.184 1.00 1.00 C ATOM 0 H ALA A 42 11.416 -1.249 5.805 1.00 1.00 H new ATOM 0 HA ALA A 42 14.069 -2.170 5.952 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.231 -1.130 3.665 1.00 1.00 H new ATOM 0 HB2 ALA A 42 12.735 -2.075 3.853 1.00 1.00 H new ATOM 0 HB3 ALA A 42 12.684 -0.300 3.958 1.00 1.00 H new ATOM 652 N ILE A 43 13.698 1.096 6.128 1.00 1.00 N ATOM 653 CA ILE A 43 14.403 2.316 6.508 1.00 1.00 C ATOM 654 C ILE A 43 14.926 2.250 7.939 1.00 1.00 C ATOM 655 O ILE A 43 15.982 2.808 8.247 1.00 1.00 O ATOM 656 CB ILE A 43 13.474 3.519 6.343 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.106 3.192 6.937 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.310 3.839 4.861 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.164 4.386 6.790 1.00 1.00 C ATOM 0 H ILE A 43 12.709 1.218 5.910 1.00 1.00 H new ATOM 0 HA ILE A 43 15.266 2.423 5.850 1.00 1.00 H new ATOM 0 HB ILE A 43 13.904 4.378 6.858 1.00 1.00 H new ATOM 0 HG12 ILE A 43 11.683 2.322 6.435 1.00 1.00 H new ATOM 0 HG13 ILE A 43 12.212 2.932 7.990 1.00 1.00 H new ATOM 0 HG21 ILE A 43 12.647 4.697 4.745 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.283 4.071 4.429 1.00 1.00 H new ATOM 0 HG23 ILE A 43 12.882 2.978 4.348 1.00 1.00 H new ATOM 0 HD11 ILE A 43 10.193 4.138 7.218 1.00 1.00 H new ATOM 0 HD12 ILE A 43 11.582 5.246 7.313 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.044 4.627 5.734 1.00 1.00 H new ATOM 671 N LYS A 44 14.185 1.582 8.811 1.00 1.00 N ATOM 672 CA LYS A 44 14.607 1.462 10.208 1.00 1.00 C ATOM 673 C LYS A 44 15.580 0.308 10.430 1.00 1.00 C ATOM 674 O LYS A 44 16.601 0.459 11.101 1.00 1.00 O ATOM 675 CB LYS A 44 13.393 1.239 11.114 1.00 1.00 C ATOM 676 CG LYS A 44 12.191 1.913 10.501 1.00 1.00 C ATOM 677 CD LYS A 44 10.992 1.876 11.457 1.00 1.00 C ATOM 678 CE LYS A 44 11.069 3.066 12.409 1.00 1.00 C ATOM 679 NZ LYS A 44 9.869 3.083 13.283 1.00 1.00 N ATOM 0 H LYS A 44 13.303 1.121 8.587 1.00 1.00 H new ATOM 0 HA LYS A 44 15.112 2.396 10.455 1.00 1.00 H new ATOM 0 HB2 LYS A 44 13.205 0.172 11.235 1.00 1.00 H new ATOM 0 HB3 LYS A 44 13.586 1.644 12.108 1.00 1.00 H new ATOM 0 HG2 LYS A 44 12.435 2.947 10.257 1.00 1.00 H new ATOM 0 HG3 LYS A 44 11.930 1.418 9.566 1.00 1.00 H new ATOM 0 HD2 LYS A 44 10.061 1.908 10.892 1.00 1.00 H new ATOM 0 HD3 LYS A 44 10.991 0.944 12.021 1.00 1.00 H new ATOM 0 HE2 LYS A 44 11.972 3.001 13.016 1.00 1.00 H new ATOM 0 HE3 LYS A 44 11.132 3.995 11.842 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 9.923 3.895 13.931 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 9.014 3.164 12.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 9.828 2.202 13.834 1.00 1.00 H new ATOM 802 N ALA A 52 17.040 7.821 -0.187 1.00 1.00 N ATOM 803 CA ALA A 52 16.194 6.637 -0.172 1.00 1.00 C ATOM 804 C ALA A 52 15.084 6.799 0.855 1.00 1.00 C ATOM 805 O ALA A 52 13.913 6.742 0.512 1.00 1.00 O ATOM 806 CB ALA A 52 17.027 5.419 0.211 1.00 1.00 C ATOM 0 HA ALA A 52 15.763 6.506 -1.165 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.392 4.533 0.222 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.828 5.283 -0.516 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.457 5.569 1.201 1.00 1.00 H new ATOM 812 N LYS A 53 15.459 7.048 2.111 1.00 1.00 N ATOM 813 CA LYS A 53 14.467 7.221 3.171 1.00 1.00 C ATOM 814 C LYS A 53 13.366 8.158 2.713 1.00 1.00 C ATOM 815 O LYS A 53 12.190 7.808 2.765 1.00 1.00 O ATOM 816 CB LYS A 53 15.147 7.791 4.431 1.00 1.00 C ATOM 817 CG LYS A 53 15.709 6.656 5.293 1.00 1.00 C ATOM 818 CD LYS A 53 16.892 5.993 4.580 1.00 1.00 C ATOM 819 CE LYS A 53 17.761 5.248 5.599 1.00 1.00 C ATOM 820 NZ LYS A 53 17.028 4.048 6.088 1.00 1.00 N ATOM 0 H LYS A 53 16.429 7.133 2.415 1.00 1.00 H new ATOM 0 HA LYS A 53 14.028 6.251 3.405 1.00 1.00 H new ATOM 0 HB2 LYS A 53 15.950 8.470 4.143 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.429 8.373 5.008 1.00 1.00 H new ATOM 0 HG2 LYS A 53 16.028 7.046 6.259 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.931 5.918 5.489 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.529 5.299 3.822 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.486 6.747 4.064 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.704 4.950 5.141 1.00 1.00 H new ATOM 0 HE3 LYS A 53 18.005 5.904 6.434 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 17.001 4.057 7.128 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 16.057 4.059 5.717 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 17.513 3.188 5.762 1.00 1.00 H new ATOM 834 N GLU A 54 13.743 9.345 2.267 1.00 1.00 N ATOM 835 CA GLU A 54 12.751 10.308 1.817 1.00 1.00 C ATOM 836 C GLU A 54 11.847 9.661 0.774 1.00 1.00 C ATOM 837 O GLU A 54 10.633 9.869 0.777 1.00 1.00 O ATOM 838 CB GLU A 54 13.465 11.542 1.224 1.00 1.00 C ATOM 839 CG GLU A 54 12.979 12.812 1.917 1.00 1.00 C ATOM 840 CD GLU A 54 11.495 13.018 1.631 1.00 1.00 C ATOM 841 OE1 GLU A 54 11.040 12.545 0.602 1.00 1.00 O ATOM 842 OE2 GLU A 54 10.835 13.641 2.445 1.00 1.00 O ATOM 0 H GLU A 54 14.711 9.662 2.207 1.00 1.00 H new ATOM 0 HA GLU A 54 12.138 10.627 2.660 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.543 11.442 1.346 1.00 1.00 H new ATOM 0 HB3 GLU A 54 13.270 11.605 0.153 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.145 12.738 2.992 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.550 13.671 1.565 1.00 1.00 H new ATOM 849 N SER A 55 12.445 8.882 -0.117 1.00 1.00 N ATOM 850 CA SER A 55 11.670 8.214 -1.145 1.00 1.00 C ATOM 851 C SER A 55 10.679 7.244 -0.508 1.00 1.00 C ATOM 852 O SER A 55 9.522 7.172 -0.904 1.00 1.00 O ATOM 853 CB SER A 55 12.603 7.446 -2.089 1.00 1.00 C ATOM 854 OG SER A 55 11.899 7.107 -3.278 1.00 1.00 O ATOM 0 H SER A 55 13.448 8.701 -0.147 1.00 1.00 H new ATOM 0 HA SER A 55 11.121 8.966 -1.713 1.00 1.00 H new ATOM 0 HB2 SER A 55 13.475 8.054 -2.330 1.00 1.00 H new ATOM 0 HB3 SER A 55 12.970 6.543 -1.601 1.00 1.00 H new ATOM 0 HG SER A 55 12.495 6.617 -3.883 1.00 1.00 H new ATOM 860 N ILE A 56 11.148 6.484 0.477 1.00 1.00 N ATOM 861 CA ILE A 56 10.296 5.507 1.136 1.00 1.00 C ATOM 862 C ILE A 56 9.203 6.209 1.934 1.00 1.00 C ATOM 863 O ILE A 56 8.048 5.812 1.898 1.00 1.00 O ATOM 864 CB ILE A 56 11.139 4.643 2.085 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.426 4.197 1.383 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.346 3.398 2.489 1.00 1.00 C ATOM 867 CD1 ILE A 56 12.116 3.623 0.016 1.00 1.00 C ATOM 0 H ILE A 56 12.103 6.526 0.832 1.00 1.00 H new ATOM 0 HA ILE A 56 9.834 4.878 0.375 1.00 1.00 H new ATOM 0 HB ILE A 56 11.386 5.232 2.968 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.104 5.044 1.282 1.00 1.00 H new ATOM 0 HG13 ILE A 56 12.937 3.450 1.990 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.947 2.787 3.162 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.428 3.699 2.994 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.098 2.820 1.599 1.00 1.00 H new ATOM 0 HD11 ILE A 56 13.043 3.312 -0.467 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.456 2.762 0.124 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.626 4.381 -0.594 1.00 1.00 H new ATOM 879 N ARG A 57 9.587 7.245 2.664 1.00 1.00 N ATOM 880 CA ARG A 57 8.634 7.990 3.478 1.00 1.00 C ATOM 881 C ARG A 57 7.570 8.654 2.602 1.00 1.00 C ATOM 882 O ARG A 57 6.381 8.682 2.954 1.00 1.00 O ATOM 883 CB ARG A 57 9.364 9.068 4.285 1.00 1.00 C ATOM 884 CG ARG A 57 10.268 8.407 5.326 1.00 1.00 C ATOM 885 CD ARG A 57 10.795 9.468 6.296 1.00 1.00 C ATOM 886 NE ARG A 57 11.645 8.853 7.308 1.00 1.00 N ATOM 887 CZ ARG A 57 12.189 9.575 8.281 1.00 1.00 C ATOM 888 NH1 ARG A 57 11.960 10.859 8.347 1.00 1.00 N ATOM 889 NH2 ARG A 57 12.948 9.002 9.174 1.00 1.00 N ATOM 0 H ARG A 57 10.546 7.589 2.711 1.00 1.00 H new ATOM 0 HA ARG A 57 8.147 7.288 4.155 1.00 1.00 H new ATOM 0 HB2 ARG A 57 9.957 9.695 3.620 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.642 9.719 4.777 1.00 1.00 H new ATOM 0 HG2 ARG A 57 9.713 7.644 5.872 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.100 7.905 4.833 1.00 1.00 H new ATOM 0 HD2 ARG A 57 11.359 10.223 5.748 1.00 1.00 H new ATOM 0 HD3 ARG A 57 9.960 9.979 6.775 1.00 1.00 H new ATOM 0 HE ARG A 57 11.825 7.850 7.268 1.00 1.00 H new ATOM 0 HH11 ARG A 57 11.363 11.307 7.651 1.00 1.00 H new ATOM 0 HH12 ARG A 57 12.378 11.414 9.094 1.00 1.00 H new ATOM 0 HH21 ARG A 57 13.124 7.999 9.125 1.00 1.00 H new ATOM 0 HH22 ARG A 57 13.365 9.557 9.921 1.00 1.00 H new ATOM 903 N ALA A 58 7.995 9.163 1.448 1.00 1.00 N ATOM 904 CA ALA A 58 7.065 9.806 0.523 1.00 1.00 C ATOM 905 C ALA A 58 6.117 8.770 -0.092 1.00 1.00 C ATOM 906 O ALA A 58 4.903 8.922 -0.082 1.00 1.00 O ATOM 907 CB ALA A 58 7.848 10.515 -0.580 1.00 1.00 C ATOM 0 H ALA A 58 8.965 9.144 1.134 1.00 1.00 H new ATOM 0 HA ALA A 58 6.470 10.536 1.072 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.153 10.994 -1.269 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.498 11.270 -0.137 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.453 9.788 -1.122 1.00 1.00 H new ATOM 913 N LYS A 59 6.676 7.704 -0.622 1.00 1.00 N ATOM 914 CA LYS A 59 5.859 6.657 -1.217 1.00 1.00 C ATOM 915 C LYS A 59 5.008 5.979 -0.155 1.00 1.00 C ATOM 916 O LYS A 59 3.863 5.609 -0.399 1.00 1.00 O ATOM 917 CB LYS A 59 6.759 5.645 -1.914 1.00 1.00 C ATOM 918 CG LYS A 59 7.548 6.336 -3.037 1.00 1.00 C ATOM 919 CD LYS A 59 6.619 6.780 -4.176 1.00 1.00 C ATOM 920 CE LYS A 59 5.891 5.564 -4.758 1.00 1.00 C ATOM 921 NZ LYS A 59 5.591 5.810 -6.187 1.00 1.00 N ATOM 0 H LYS A 59 7.681 7.536 -0.656 1.00 1.00 H new ATOM 0 HA LYS A 59 5.188 7.100 -1.953 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.447 5.200 -1.195 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.159 4.833 -2.325 1.00 1.00 H new ATOM 0 HG2 LYS A 59 8.075 7.202 -2.635 1.00 1.00 H new ATOM 0 HG3 LYS A 59 8.305 5.655 -3.426 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.895 7.505 -3.805 1.00 1.00 H new ATOM 0 HD3 LYS A 59 7.197 7.277 -4.956 1.00 1.00 H new ATOM 0 HE2 LYS A 59 6.508 4.672 -4.653 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.968 5.380 -4.207 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 5.269 4.927 -6.631 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 4.844 6.530 -6.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 6.449 6.147 -6.669 1.00 1.00 H new ATOM 935 N CYS A 60 5.582 5.807 1.019 1.00 1.00 N ATOM 936 CA CYS A 60 4.875 5.162 2.113 1.00 1.00 C ATOM 937 C CYS A 60 3.557 5.880 2.376 1.00 1.00 C ATOM 938 O CYS A 60 2.502 5.249 2.454 1.00 1.00 O ATOM 939 CB CYS A 60 5.734 5.196 3.380 1.00 1.00 C ATOM 940 SG CYS A 60 6.918 3.836 3.339 1.00 1.00 S ATOM 0 H CYS A 60 6.532 6.103 1.242 1.00 1.00 H new ATOM 0 HA CYS A 60 4.673 4.126 1.840 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.260 6.148 3.451 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.101 5.115 4.264 1.00 1.00 H new ATOM 0 HG CYS A 60 7.780 4.040 2.387 1.00 1.00 H new ATOM 946 N VAL A 61 3.620 7.202 2.515 1.00 1.00 N ATOM 947 CA VAL A 61 2.413 7.978 2.773 1.00 1.00 C ATOM 948 C VAL A 61 1.437 7.861 1.598 1.00 1.00 C ATOM 949 O VAL A 61 0.220 7.941 1.778 1.00 1.00 O ATOM 950 CB VAL A 61 2.785 9.459 3.000 1.00 1.00 C ATOM 951 CG1 VAL A 61 2.859 10.202 1.662 1.00 1.00 C ATOM 952 CG2 VAL A 61 1.734 10.127 3.872 1.00 1.00 C ATOM 0 H VAL A 61 4.479 7.749 2.455 1.00 1.00 H new ATOM 0 HA VAL A 61 1.929 7.585 3.667 1.00 1.00 H new ATOM 0 HB VAL A 61 3.757 9.498 3.491 1.00 1.00 H new ATOM 0 HG11 VAL A 61 3.122 11.245 1.839 1.00 1.00 H new ATOM 0 HG12 VAL A 61 3.617 9.739 1.030 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.891 10.152 1.164 1.00 1.00 H new ATOM 0 HG21 VAL A 61 2.002 11.172 4.029 1.00 1.00 H new ATOM 0 HG22 VAL A 61 0.763 10.071 3.379 1.00 1.00 H new ATOM 0 HG23 VAL A 61 1.682 9.617 4.834 1.00 1.00 H new ATOM 962 N GLN A 62 1.985 7.673 0.399 1.00 1.00 N ATOM 963 CA GLN A 62 1.149 7.541 -0.793 1.00 1.00 C ATOM 964 C GLN A 62 0.392 6.217 -0.766 1.00 1.00 C ATOM 965 O GLN A 62 -0.820 6.171 -1.009 1.00 1.00 O ATOM 966 CB GLN A 62 2.021 7.621 -2.048 1.00 1.00 C ATOM 967 CG GLN A 62 2.536 9.053 -2.221 1.00 1.00 C ATOM 968 CD GLN A 62 3.738 9.071 -3.156 1.00 1.00 C ATOM 969 OE1 GLN A 62 3.669 8.560 -4.275 1.00 1.00 O ATOM 970 NE2 GLN A 62 4.851 9.619 -2.749 1.00 1.00 N ATOM 0 H GLN A 62 2.988 7.609 0.228 1.00 1.00 H new ATOM 0 HA GLN A 62 0.425 8.355 -0.808 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.859 6.929 -1.966 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.445 7.322 -2.924 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.744 9.686 -2.622 1.00 1.00 H new ATOM 0 HG3 GLN A 62 2.814 9.467 -1.252 1.00 1.00 H new ATOM 0 HE21 GLN A 62 4.903 10.041 -1.822 1.00 1.00 H new ATOM 0 HE22 GLN A 62 5.669 9.626 -3.358 1.00 1.00 H new ATOM 979 N TYR A 63 1.109 5.143 -0.461 1.00 1.00 N ATOM 980 CA TYR A 63 0.495 3.826 -0.403 1.00 1.00 C ATOM 981 C TYR A 63 -0.569 3.782 0.675 1.00 1.00 C ATOM 982 O TYR A 63 -1.685 3.318 0.432 1.00 1.00 O ATOM 983 CB TYR A 63 1.563 2.760 -0.125 1.00 1.00 C ATOM 984 CG TYR A 63 2.592 2.732 -1.241 1.00 1.00 C ATOM 985 CD1 TYR A 63 2.186 2.748 -2.580 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.956 2.697 -0.933 1.00 1.00 C ATOM 987 CE1 TYR A 63 3.129 2.735 -3.604 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.902 2.679 -1.960 1.00 1.00 C ATOM 989 CZ TYR A 63 4.487 2.702 -3.298 1.00 1.00 C ATOM 990 OH TYR A 63 5.418 2.678 -4.312 1.00 1.00 O ATOM 0 H TYR A 63 2.107 5.158 -0.252 1.00 1.00 H new ATOM 0 HA TYR A 63 0.026 3.621 -1.365 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.055 2.969 0.825 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.092 1.781 -0.032 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.133 2.771 -2.821 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.277 2.684 0.098 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.808 2.750 -4.635 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.955 2.647 -1.723 1.00 1.00 H new ATOM 0 HH TYR A 63 5.018 3.036 -5.132 1.00 1.00 H new ATOM 1000 N LEU A 64 -0.225 4.259 1.865 1.00 1.00 N ATOM 1001 CA LEU A 64 -1.181 4.246 2.956 1.00 1.00 C ATOM 1002 C LEU A 64 -2.405 5.060 2.591 1.00 1.00 C ATOM 1003 O LEU A 64 -3.528 4.582 2.718 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.527 4.825 4.222 1.00 1.00 C ATOM 1005 CG LEU A 64 0.094 3.704 5.049 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.017 4.306 6.116 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -1.011 2.863 5.725 1.00 1.00 C ATOM 0 H LEU A 64 0.689 4.651 2.093 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.489 3.218 3.145 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.238 5.551 3.946 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -1.271 5.356 4.815 1.00 1.00 H new ATOM 0 HG LEU A 64 0.673 3.056 4.392 1.00 1.00 H new ATOM 0 HD11 LEU A 64 1.461 3.505 6.707 1.00 1.00 H new ATOM 0 HD12 LEU A 64 1.807 4.880 5.632 1.00 1.00 H new ATOM 0 HD13 LEU A 64 0.440 4.961 6.768 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -0.554 2.066 6.312 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -1.605 3.501 6.379 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.655 2.427 4.961 1.00 1.00 H new ATOM 1019 N ASP A 65 -2.201 6.291 2.138 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.324 7.146 1.785 1.00 1.00 C ATOM 1021 C ASP A 65 -4.292 6.377 0.896 1.00 1.00 C ATOM 1022 O ASP A 65 -5.505 6.382 1.128 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.792 8.364 1.025 1.00 1.00 C ATOM 1024 CG ASP A 65 -3.940 9.271 0.607 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -4.599 9.803 1.484 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -4.145 9.420 -0.587 1.00 1.00 O ATOM 0 H ASP A 65 -1.282 6.714 2.008 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.845 7.466 2.687 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -2.094 8.917 1.654 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.238 8.038 0.144 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.752 5.695 -0.106 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.595 4.910 -0.995 1.00 1.00 C ATOM 1033 C ARG A 66 -5.325 3.830 -0.199 1.00 1.00 C ATOM 1034 O ARG A 66 -6.517 3.592 -0.388 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.742 4.272 -2.088 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.224 5.365 -3.034 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.388 6.008 -3.803 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.398 5.001 -4.114 1.00 1.00 N ATOM 1039 CZ ARG A 66 -5.275 4.205 -5.170 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -4.238 4.320 -5.954 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.184 3.304 -5.418 1.00 1.00 N ATOM 0 H ARG A 66 -2.755 5.669 -0.320 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.333 5.564 -1.460 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -2.905 3.734 -1.644 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.330 3.543 -2.645 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -2.693 6.127 -2.463 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.509 4.937 -3.736 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -4.830 6.807 -3.208 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.020 6.462 -4.723 1.00 1.00 H new ATOM 0 HE ARG A 66 -6.214 4.907 -3.509 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -3.524 5.020 -5.755 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -4.142 3.709 -6.765 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.991 3.210 -4.801 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -6.089 2.693 -6.229 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.595 3.164 0.676 1.00 1.00 N ATOM 1056 CA ALA A 67 -5.177 2.105 1.486 1.00 1.00 C ATOM 1057 C ALA A 67 -6.296 2.662 2.366 1.00 1.00 C ATOM 1058 O ALA A 67 -7.281 1.976 2.646 1.00 1.00 O ATOM 1059 CB ALA A 67 -4.098 1.471 2.375 1.00 1.00 C ATOM 0 H ALA A 67 -3.604 3.334 0.845 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.590 1.348 0.820 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.542 0.679 2.978 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.311 1.052 1.749 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.674 2.231 3.031 1.00 1.00 H new ATOM 1065 N GLU A 68 -6.131 3.901 2.815 1.00 1.00 N ATOM 1066 CA GLU A 68 -7.120 4.531 3.674 1.00 1.00 C ATOM 1067 C GLU A 68 -8.427 4.761 2.937 1.00 1.00 C ATOM 1068 O GLU A 68 -9.480 4.310 3.383 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.579 5.878 4.175 1.00 1.00 C ATOM 1070 CG GLU A 68 -5.441 5.648 5.163 1.00 1.00 C ATOM 1071 CD GLU A 68 -4.824 6.983 5.576 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -5.267 8.001 5.069 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -3.919 6.968 6.394 1.00 1.00 O ATOM 0 H GLU A 68 -5.324 4.485 2.598 1.00 1.00 H new ATOM 0 HA GLU A 68 -7.312 3.864 4.514 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -6.226 6.473 3.333 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -7.378 6.445 4.653 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -5.814 5.124 6.043 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -4.680 5.012 4.711 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.361 5.460 1.811 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.566 5.735 1.040 1.00 1.00 C ATOM 1082 C LYS A 69 -10.220 4.426 0.600 1.00 1.00 C ATOM 1083 O LYS A 69 -11.450 4.313 0.563 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.220 6.599 -0.177 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.260 5.849 -1.082 1.00 1.00 C ATOM 1086 CD LYS A 69 -7.979 6.668 -2.349 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.070 6.393 -3.391 1.00 1.00 C ATOM 1088 NZ LYS A 69 -9.083 4.938 -3.720 1.00 1.00 N ATOM 0 H LYS A 69 -7.501 5.841 1.416 1.00 1.00 H new ATOM 0 HA LYS A 69 -10.273 6.280 1.666 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.128 6.853 -0.725 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.771 7.538 0.147 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.328 5.653 -0.553 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.683 4.881 -1.352 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.951 7.731 -2.109 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.001 6.407 -2.754 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -10.043 6.699 -3.005 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -8.885 6.979 -4.291 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -9.114 4.816 -4.752 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -8.223 4.489 -3.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -9.920 4.493 -3.293 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.387 3.442 0.260 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.886 2.154 -0.191 1.00 1.00 C ATOM 1104 C LEU A 70 -10.720 1.504 0.891 1.00 1.00 C ATOM 1105 O LEU A 70 -11.840 1.066 0.651 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.712 1.241 -0.586 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.216 1.620 -1.998 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.796 1.095 -2.200 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.143 0.995 -3.068 1.00 1.00 C ATOM 0 H LEU A 70 -8.370 3.517 0.290 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.518 2.309 -1.066 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.901 1.342 0.135 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -9.027 0.198 -0.568 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.226 2.705 -2.097 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.447 1.363 -3.197 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.135 1.536 -1.454 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.791 0.010 -2.093 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -8.787 1.267 -4.062 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.138 -0.090 -2.965 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.158 1.368 -2.932 1.00 1.00 H new ATOM 1121 N LYS A 71 -10.170 1.492 2.078 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.850 0.939 3.232 1.00 1.00 C ATOM 1123 C LYS A 71 -12.010 1.842 3.652 1.00 1.00 C ATOM 1124 O LYS A 71 -12.950 1.405 4.320 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.889 0.799 4.414 1.00 1.00 C ATOM 1126 CG LYS A 71 -10.550 -0.019 5.543 1.00 1.00 C ATOM 1127 CD LYS A 71 -9.950 0.357 6.894 1.00 1.00 C ATOM 1128 CE LYS A 71 -8.447 0.101 6.880 1.00 1.00 C ATOM 1129 NZ LYS A 71 -8.189 -1.329 6.547 1.00 1.00 N ATOM 0 H LYS A 71 -9.241 1.863 2.277 1.00 1.00 H new ATOM 0 HA LYS A 71 -11.228 -0.044 2.952 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.971 0.309 4.090 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.610 1.785 4.785 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -11.625 0.164 5.552 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.409 -1.084 5.359 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -10.147 1.407 7.111 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -10.420 -0.226 7.686 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.964 0.749 6.148 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -8.017 0.342 7.852 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -7.586 -1.753 7.281 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -9.092 -1.843 6.501 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -7.709 -1.390 5.626 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.940 3.115 3.289 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.970 4.056 3.692 1.00 1.00 C ATOM 1145 C ASP A 72 -14.330 3.770 3.037 1.00 1.00 C ATOM 1146 O ASP A 72 -15.340 3.551 3.721 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.520 5.470 3.279 1.00 1.00 C ATOM 1148 CG ASP A 72 -13.330 6.522 4.038 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.720 6.243 5.159 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -13.540 7.593 3.489 1.00 1.00 O ATOM 0 H ASP A 72 -11.191 3.514 2.724 1.00 1.00 H new ATOM 0 HA ASP A 72 -13.099 3.963 4.770 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -11.458 5.597 3.488 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.652 5.603 2.205 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.330 3.760 1.716 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.570 3.506 0.989 1.00 1.00 C ATOM 1157 C TYR A 73 -15.910 2.027 1.047 1.00 1.00 C ATOM 1158 O TYR A 73 -17.080 1.658 1.009 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.470 4.010 -0.452 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.690 3.044 -1.290 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.270 1.841 -1.709 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.380 3.348 -1.658 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.550 0.948 -2.478 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.650 2.448 -2.428 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.230 1.248 -2.834 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.510 0.359 -3.573 1.00 1.00 O ATOM 0 H TYR A 73 -13.509 3.920 1.132 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.381 4.058 1.465 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.469 4.139 -0.869 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -14.989 4.988 -0.469 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.287 1.610 -1.429 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -12.933 4.280 -1.346 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.003 0.023 -2.803 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.634 2.680 -2.711 1.00 1.00 H new ATOM 0 HH TYR A 73 -12.967 -0.508 -3.578 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.880 1.183 1.140 1.00 1.00 N ATOM 1177 CA LEU A 74 -15.110 -0.255 1.211 1.00 1.00 C ATOM 1178 C LEU A 74 -15.930 -0.575 2.451 1.00 1.00 C ATOM 1179 O LEU A 74 -16.930 -1.293 2.380 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.760 -0.975 1.304 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.170 -1.197 -0.096 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.670 -1.573 -0.002 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -13.980 -2.318 -0.817 1.00 1.00 C ATOM 0 H LEU A 74 -13.900 1.465 1.167 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.647 -0.584 0.321 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -13.068 -0.387 1.907 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.886 -1.933 1.808 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.243 -0.275 -0.672 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.270 -1.726 -1.004 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -11.123 -0.767 0.488 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.560 -2.490 0.577 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.567 -2.482 -1.812 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -13.916 -3.241 -0.241 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -15.024 -2.015 -0.902 1.00 1.00 H new ATOM 1273 N PRO B 171 7.166 1.968 -7.929 1.00 1.00 N ATOM 1274 CA PRO B 171 5.989 2.183 -8.827 1.00 1.00 C ATOM 1275 C PRO B 171 5.060 3.275 -8.306 1.00 1.00 C ATOM 1276 O PRO B 171 5.124 3.649 -7.135 1.00 1.00 O ATOM 1277 CB PRO B 171 5.278 0.816 -8.846 1.00 1.00 C ATOM 1278 CG PRO B 171 5.792 0.092 -7.649 1.00 1.00 C ATOM 1279 CD PRO B 171 7.211 0.575 -7.452 1.00 1.00 C ATOM 0 HA PRO B 171 6.292 2.519 -9.819 1.00 1.00 H new ATOM 0 HB2 PRO B 171 4.195 0.934 -8.800 1.00 1.00 H new ATOM 0 HB3 PRO B 171 5.500 0.269 -9.762 1.00 1.00 H new ATOM 0 HG2 PRO B 171 5.181 0.305 -6.772 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.764 -0.987 -7.803 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.514 0.518 -6.406 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.922 -0.023 -8.023 1.00 1.00 H new ATOM 1287 N GLU B 172 4.185 3.773 -9.180 1.00 1.00 N ATOM 1288 CA GLU B 172 3.233 4.812 -8.798 1.00 1.00 C ATOM 1289 C GLU B 172 1.834 4.226 -8.674 1.00 1.00 C ATOM 1290 O GLU B 172 1.332 3.576 -9.593 1.00 1.00 O ATOM 1291 CB GLU B 172 3.228 5.927 -9.842 1.00 1.00 C ATOM 1292 CG GLU B 172 2.415 7.109 -9.317 1.00 1.00 C ATOM 1293 CD GLU B 172 3.167 7.793 -8.180 1.00 1.00 C ATOM 1294 OE1 GLU B 172 4.328 7.472 -7.987 1.00 1.00 O ATOM 1295 OE2 GLU B 172 2.568 8.620 -7.512 1.00 1.00 O ATOM 0 H GLU B 172 4.117 3.474 -10.153 1.00 1.00 H new ATOM 0 HA GLU B 172 3.535 5.221 -7.834 1.00 1.00 H new ATOM 0 HB2 GLU B 172 4.249 6.241 -10.059 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.800 5.564 -10.776 1.00 1.00 H new ATOM 0 HG2 GLU B 172 2.230 7.820 -10.122 1.00 1.00 H new ATOM 0 HG3 GLU B 172 1.442 6.765 -8.966 1.00 1.00 H new ATOM 1302 N VAL B 173 1.213 4.450 -7.526 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.119 3.929 -7.282 1.00 1.00 C ATOM 1304 C VAL B 173 -1.069 4.302 -8.429 1.00 1.00 C ATOM 1305 O VAL B 173 -1.075 5.444 -8.890 1.00 1.00 O ATOM 1306 CB VAL B 173 -0.676 4.477 -5.945 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.461 3.452 -4.824 1.00 1.00 C ATOM 1308 CG2 VAL B 173 0.054 5.769 -5.589 1.00 1.00 C ATOM 0 H VAL B 173 1.609 4.986 -6.754 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.050 2.843 -7.223 1.00 1.00 H new ATOM 0 HB VAL B 173 -1.743 4.668 -6.055 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -0.856 3.848 -3.888 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -0.979 2.526 -5.074 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.605 3.253 -4.712 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.335 6.159 -4.648 1.00 1.00 H new ATOM 0 HG22 VAL B 173 1.120 5.568 -5.486 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -0.102 6.504 -6.378 1.00 1.00 H new ATOM 1318 N PRO B 174 -1.878 3.370 -8.877 1.00 1.00 N ATOM 1319 CA PRO B 174 -2.856 3.625 -9.972 1.00 1.00 C ATOM 1320 C PRO B 174 -4.038 4.463 -9.497 1.00 1.00 C ATOM 1321 O PRO B 174 -4.543 4.271 -8.390 1.00 1.00 O ATOM 1322 CB PRO B 174 -3.299 2.218 -10.380 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.123 1.371 -9.174 1.00 1.00 C ATOM 1324 CD PRO B 174 -1.957 1.977 -8.405 1.00 1.00 C ATOM 0 HA PRO B 174 -2.425 4.196 -10.795 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -4.338 2.216 -10.711 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -2.699 1.845 -11.210 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.029 1.362 -8.567 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -2.914 0.337 -9.450 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.127 1.933 -7.329 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.030 1.439 -8.603 1.00 1.00 H new