USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 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 NoAdj-H: A 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 SER OG : rot -108:sc= 0.0284 USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0.00169 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -160:sc= 0.0157 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -11.9! C(o=-12!,f=-21!) USER MOD Single : A 20 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 33 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0135) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.047) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -9.534 17.421 -6.465 1.00 9.58 N ATOM 2 CA GLU A 4 -9.922 16.593 -7.646 1.00 9.09 C ATOM 3 C GLU A 4 -10.409 15.216 -7.175 1.00 8.06 C ATOM 4 O GLU A 4 -11.537 14.833 -7.420 1.00 8.10 O ATOM 5 CB GLU A 4 -8.714 16.415 -8.577 1.00 9.77 C ATOM 6 CG GLU A 4 -8.421 17.731 -9.308 1.00 10.24 C ATOM 7 CD GLU A 4 -9.440 17.937 -10.434 1.00 11.04 C ATOM 8 OE1 GLU A 4 -9.254 17.354 -11.490 1.00 11.36 O ATOM 9 OE2 GLU A 4 -10.387 18.676 -10.221 1.00 11.49 O ATOM 0 HA GLU A 4 -10.723 17.097 -8.186 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -7.842 16.107 -8.001 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -8.914 15.624 -9.300 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -8.466 18.565 -8.607 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -7.411 17.713 -9.718 1.00 10.24 H new ATOM 16 N LEU A 5 -9.563 14.471 -6.500 1.00 7.36 N ATOM 17 CA LEU A 5 -9.966 13.119 -6.010 1.00 6.53 C ATOM 18 C LEU A 5 -9.261 12.838 -4.677 1.00 6.17 C ATOM 19 O LEU A 5 -8.057 12.659 -4.630 1.00 6.61 O ATOM 20 CB LEU A 5 -9.563 12.061 -7.043 1.00 6.34 C ATOM 21 CG LEU A 5 -10.116 10.692 -6.629 1.00 7.26 C ATOM 22 CD1 LEU A 5 -10.931 10.097 -7.781 1.00 7.60 C ATOM 23 CD2 LEU A 5 -8.953 9.754 -6.290 1.00 7.86 C ATOM 0 H LEU A 5 -8.608 14.745 -6.268 1.00 7.36 H new ATOM 0 HA LEU A 5 -11.046 13.084 -5.865 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -9.945 12.335 -8.026 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -8.477 12.015 -7.125 1.00 6.34 H new ATOM 0 HG LEU A 5 -10.757 10.810 -5.755 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -11.323 9.124 -7.485 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -11.759 10.763 -8.023 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -10.292 9.979 -8.656 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -9.345 8.780 -5.995 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -8.312 9.638 -7.164 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -8.373 10.175 -5.469 1.00 7.86 H new ATOM 35 N ARG A 6 -10.004 12.800 -3.596 1.00 5.61 N ATOM 36 CA ARG A 6 -9.390 12.536 -2.257 1.00 5.48 C ATOM 37 C ARG A 6 -8.833 11.104 -2.202 1.00 4.69 C ATOM 38 O ARG A 6 -8.833 10.389 -3.191 1.00 4.64 O ATOM 39 CB ARG A 6 -10.458 12.718 -1.172 1.00 6.06 C ATOM 40 CG ARG A 6 -10.518 14.190 -0.751 1.00 6.84 C ATOM 41 CD ARG A 6 -11.865 14.482 -0.084 1.00 7.76 C ATOM 42 NE ARG A 6 -11.861 13.946 1.309 1.00 8.57 N ATOM 43 CZ ARG A 6 -12.966 13.491 1.837 1.00 9.27 C ATOM 44 NH1 ARG A 6 -13.327 12.251 1.629 1.00 9.77 N ATOM 45 NH2 ARG A 6 -13.710 14.276 2.575 1.00 9.70 N ATOM 0 H ARG A 6 -11.014 12.941 -3.585 1.00 5.61 H new ATOM 0 HA ARG A 6 -8.571 13.236 -2.091 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -11.430 12.397 -1.547 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -10.226 12.092 -0.310 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -9.704 14.415 -0.062 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -10.385 14.833 -1.621 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -12.050 15.556 -0.071 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -12.672 14.026 -0.657 1.00 7.76 H new ATOM 0 HE ARG A 6 -10.996 13.935 1.849 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -12.746 11.640 1.055 1.00 9.77 H new ATOM 0 HH12 ARG A 6 -14.190 11.895 2.041 1.00 9.77 H new ATOM 0 HH21 ARG A 6 -13.427 15.242 2.737 1.00 9.70 H new ATOM 0 HH22 ARG A 6 -14.573 13.921 2.987 1.00 9.70 H new ATOM 59 N CYS A 7 -8.352 10.679 -1.055 1.00 4.47 N ATOM 60 CA CYS A 7 -7.791 9.301 -0.935 1.00 4.05 C ATOM 61 C CYS A 7 -8.888 8.271 -1.214 1.00 4.38 C ATOM 62 O CYS A 7 -9.889 8.211 -0.523 1.00 4.93 O ATOM 63 CB CYS A 7 -7.240 9.087 0.477 1.00 4.32 C ATOM 64 SG CYS A 7 -5.565 9.767 0.585 1.00 4.79 S ATOM 0 H CYS A 7 -8.326 11.231 -0.198 1.00 4.47 H new ATOM 0 HA CYS A 7 -6.986 9.180 -1.660 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -7.888 9.571 1.208 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -7.228 8.024 0.716 1.00 4.32 H new ATOM 69 N GLN A 8 -8.698 7.457 -2.226 1.00 4.51 N ATOM 70 CA GLN A 8 -9.714 6.417 -2.569 1.00 5.30 C ATOM 71 C GLN A 8 -9.812 5.375 -1.438 1.00 5.47 C ATOM 72 O GLN A 8 -10.767 4.624 -1.370 1.00 6.21 O ATOM 73 CB GLN A 8 -9.306 5.723 -3.872 1.00 5.63 C ATOM 74 CG GLN A 8 -10.548 5.157 -4.566 1.00 6.22 C ATOM 75 CD GLN A 8 -10.208 4.807 -6.018 1.00 7.21 C ATOM 76 OE1 GLN A 8 -10.261 5.655 -6.887 1.00 7.78 O ATOM 77 NE2 GLN A 8 -9.858 3.584 -6.319 1.00 7.68 N ATOM 0 H GLN A 8 -7.877 7.471 -2.831 1.00 4.51 H new ATOM 0 HA GLN A 8 -10.686 6.894 -2.693 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -8.801 6.431 -4.529 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -8.598 4.921 -3.662 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -10.899 4.269 -4.040 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -11.358 5.886 -4.537 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -9.813 2.872 -5.590 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -9.629 3.342 -7.283 1.00 7.68 H new ATOM 86 N CYS A 9 -8.839 5.327 -0.549 1.00 5.04 N ATOM 87 CA CYS A 9 -8.889 4.340 0.569 1.00 5.45 C ATOM 88 C CYS A 9 -8.699 5.057 1.908 1.00 5.99 C ATOM 89 O CYS A 9 -7.596 5.420 2.276 1.00 6.13 O ATOM 90 CB CYS A 9 -7.783 3.293 0.392 1.00 5.08 C ATOM 91 SG CYS A 9 -8.495 1.761 -0.259 1.00 5.12 S ATOM 0 H CYS A 9 -8.017 5.931 -0.556 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.861 3.846 0.558 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -7.019 3.668 -0.288 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -7.294 3.101 1.347 1.00 5.08 H new ATOM 96 N ILE A 10 -9.766 5.238 2.651 1.00 6.61 N ATOM 97 CA ILE A 10 -9.650 5.903 3.987 1.00 7.44 C ATOM 98 C ILE A 10 -8.832 4.986 4.910 1.00 7.48 C ATOM 99 O ILE A 10 -8.073 5.444 5.743 1.00 8.16 O ATOM 100 CB ILE A 10 -11.049 6.136 4.580 1.00 8.38 C ATOM 101 CG1 ILE A 10 -11.853 7.059 3.653 1.00 8.63 C ATOM 102 CG2 ILE A 10 -10.925 6.790 5.960 1.00 9.31 C ATOM 103 CD1 ILE A 10 -13.292 6.550 3.541 1.00 9.47 C ATOM 0 H ILE A 10 -10.710 4.954 2.390 1.00 6.61 H new ATOM 0 HA ILE A 10 -9.155 6.869 3.885 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.560 5.178 4.677 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -11.846 8.077 4.042 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -11.391 7.092 2.666 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -11.919 6.953 6.376 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -10.357 6.137 6.622 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -10.410 7.746 5.865 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -13.860 7.207 2.883 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -13.290 5.540 3.132 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -13.752 6.540 4.529 1.00 9.47 H new ATOM 115 N LYS A 11 -8.968 3.692 4.733 1.00 6.93 N ATOM 116 CA LYS A 11 -8.194 2.716 5.556 1.00 7.15 C ATOM 117 C LYS A 11 -7.230 1.970 4.625 1.00 6.42 C ATOM 118 O LYS A 11 -7.625 1.471 3.586 1.00 6.35 O ATOM 119 CB LYS A 11 -9.148 1.720 6.236 1.00 8.05 C ATOM 120 CG LYS A 11 -10.137 1.146 5.213 1.00 8.65 C ATOM 121 CD LYS A 11 -10.996 0.067 5.874 1.00 9.04 C ATOM 122 CE LYS A 11 -12.142 -0.319 4.933 1.00 9.50 C ATOM 123 NZ LYS A 11 -11.639 -1.253 3.885 1.00 9.69 N ATOM 0 H LYS A 11 -9.590 3.269 4.044 1.00 6.93 H new ATOM 0 HA LYS A 11 -7.639 3.239 6.335 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -8.576 0.912 6.692 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -9.692 2.218 7.039 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -10.772 1.941 4.822 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -9.595 0.725 4.366 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -10.388 -0.808 6.102 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -11.395 0.433 6.820 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -12.946 -0.790 5.498 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -12.560 0.574 4.468 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -12.419 -1.513 3.248 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -10.886 -0.788 3.338 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -11.261 -2.110 4.336 1.00 9.69 H new ATOM 137 N THR A 12 -5.968 1.910 4.970 1.00 6.02 N ATOM 138 CA THR A 12 -4.983 1.218 4.081 1.00 5.35 C ATOM 139 C THR A 12 -4.583 -0.146 4.649 1.00 5.31 C ATOM 140 O THR A 12 -5.126 -0.615 5.634 1.00 5.80 O ATOM 141 CB THR A 12 -3.729 2.083 3.902 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.656 3.062 4.930 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.778 2.763 2.537 1.00 5.32 C ATOM 0 H THR A 12 -5.578 2.308 5.824 1.00 6.02 H new ATOM 0 HA THR A 12 -5.462 1.064 3.114 1.00 5.35 H new ATOM 0 HB THR A 12 -2.844 1.450 3.963 1.00 5.23 H new ATOM 0 HG1 THR A 12 -3.062 3.789 4.648 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.889 3.379 2.405 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.814 2.005 1.754 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.667 3.391 2.475 1.00 5.32 H new ATOM 151 N TYR A 13 -3.640 -0.785 4.003 1.00 4.96 N ATOM 152 CA TYR A 13 -3.179 -2.128 4.442 1.00 5.03 C ATOM 153 C TYR A 13 -1.927 -1.995 5.310 1.00 5.08 C ATOM 154 O TYR A 13 -0.965 -1.349 4.936 1.00 4.67 O ATOM 155 CB TYR A 13 -2.850 -2.957 3.196 1.00 4.85 C ATOM 156 CG TYR A 13 -2.905 -4.430 3.499 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.783 -4.922 4.469 1.00 5.75 C ATOM 158 CD2 TYR A 13 -2.067 -5.302 2.801 1.00 5.34 C ATOM 159 CE1 TYR A 13 -3.823 -6.294 4.745 1.00 6.30 C ATOM 160 CE2 TYR A 13 -2.104 -6.676 3.074 1.00 5.79 C ATOM 161 CZ TYR A 13 -2.982 -7.172 4.046 1.00 6.23 C ATOM 162 OH TYR A 13 -3.021 -8.524 4.317 1.00 6.84 O ATOM 0 H TYR A 13 -3.165 -0.422 3.176 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.960 -2.614 5.026 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.555 -2.719 2.400 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.857 -2.694 2.831 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.430 -4.244 5.005 1.00 5.75 H new ATOM 0 HD2 TYR A 13 -1.391 -4.918 2.051 1.00 5.34 H new ATOM 0 HE1 TYR A 13 -4.500 -6.675 5.495 1.00 6.30 H new ATOM 0 HE2 TYR A 13 -1.456 -7.352 2.535 1.00 5.79 H new ATOM 0 HH TYR A 13 -2.377 -8.991 3.745 1.00 6.84 H new ATOM 172 N SER A 14 -1.932 -2.618 6.461 1.00 5.82 N ATOM 173 CA SER A 14 -0.746 -2.558 7.364 1.00 6.06 C ATOM 174 C SER A 14 0.018 -3.881 7.286 1.00 6.51 C ATOM 175 O SER A 14 1.232 -3.906 7.366 1.00 6.88 O ATOM 176 CB SER A 14 -1.205 -2.315 8.802 1.00 6.42 C ATOM 177 OG SER A 14 -1.797 -1.024 8.895 1.00 6.80 O ATOM 0 H SER A 14 -2.714 -3.169 6.815 1.00 5.82 H new ATOM 0 HA SER A 14 -0.094 -1.742 7.053 1.00 6.06 H new ATOM 0 HB2 SER A 14 -1.923 -3.079 9.101 1.00 6.42 H new ATOM 0 HB3 SER A 14 -0.358 -2.389 9.484 1.00 6.42 H new ATOM 0 HG SER A 14 -2.094 -0.866 9.815 1.00 6.80 H new ATOM 183 N LYS A 15 -0.682 -4.981 7.116 1.00 6.59 N ATOM 184 CA LYS A 15 0.011 -6.300 7.016 1.00 7.06 C ATOM 185 C LYS A 15 0.701 -6.384 5.649 1.00 6.32 C ATOM 186 O LYS A 15 0.147 -5.963 4.655 1.00 6.13 O ATOM 187 CB LYS A 15 -0.979 -7.467 7.141 1.00 7.75 C ATOM 188 CG LYS A 15 -2.248 -7.052 7.900 1.00 8.64 C ATOM 189 CD LYS A 15 -2.984 -8.305 8.381 1.00 9.43 C ATOM 190 CE LYS A 15 -4.294 -7.904 9.063 1.00 10.20 C ATOM 191 NZ LYS A 15 -5.165 -9.105 9.220 1.00 10.59 N ATOM 0 H LYS A 15 -1.699 -5.018 7.043 1.00 6.59 H new ATOM 0 HA LYS A 15 0.732 -6.375 7.830 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.249 -7.824 6.147 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.500 -8.298 7.659 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -1.987 -6.421 8.750 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -2.896 -6.462 7.252 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -3.189 -8.964 7.538 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -2.357 -8.863 9.076 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -4.088 -7.462 10.038 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -4.806 -7.146 8.471 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -6.055 -8.830 9.684 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -5.372 -9.508 8.284 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -4.676 -9.815 9.802 1.00 10.59 H new ATOM 205 N PRO A 16 1.899 -6.907 5.646 1.00 6.02 N ATOM 206 CA PRO A 16 2.710 -7.039 4.425 1.00 5.35 C ATOM 207 C PRO A 16 2.331 -8.301 3.642 1.00 5.50 C ATOM 208 O PRO A 16 1.757 -9.231 4.180 1.00 6.37 O ATOM 209 CB PRO A 16 4.136 -7.140 4.965 1.00 5.39 C ATOM 210 CG PRO A 16 4.021 -7.642 6.427 1.00 6.26 C ATOM 211 CD PRO A 16 2.560 -7.414 6.860 1.00 6.51 C ATOM 0 HA PRO A 16 2.570 -6.211 3.729 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.730 -7.829 4.364 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.635 -6.172 4.926 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.285 -8.697 6.496 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.707 -7.099 7.078 1.00 6.26 H new ATOM 0 HD2 PRO A 16 2.099 -8.338 7.208 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.494 -6.697 7.678 1.00 6.51 H new ATOM 219 N PHE A 17 2.663 -8.336 2.375 1.00 4.76 N ATOM 220 CA PHE A 17 2.337 -9.536 1.544 1.00 4.96 C ATOM 221 C PHE A 17 3.199 -9.550 0.269 1.00 4.78 C ATOM 222 O PHE A 17 3.736 -8.537 -0.142 1.00 4.77 O ATOM 223 CB PHE A 17 0.833 -9.546 1.202 1.00 4.69 C ATOM 224 CG PHE A 17 0.496 -8.536 0.126 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.438 -7.168 0.426 1.00 3.74 C ATOM 226 CD2 PHE A 17 0.225 -8.978 -1.174 1.00 3.29 C ATOM 227 CE1 PHE A 17 0.112 -6.247 -0.578 1.00 3.14 C ATOM 228 CE2 PHE A 17 -0.103 -8.058 -2.174 1.00 2.59 C ATOM 229 CZ PHE A 17 -0.158 -6.692 -1.877 1.00 2.38 C ATOM 0 H PHE A 17 3.146 -7.586 1.881 1.00 4.76 H new ATOM 0 HA PHE A 17 2.563 -10.439 2.111 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.542 -10.542 0.869 1.00 4.69 H new ATOM 0 HB3 PHE A 17 0.254 -9.328 2.100 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.644 -6.825 1.429 1.00 3.74 H new ATOM 0 HD2 PHE A 17 0.269 -10.032 -1.405 1.00 3.29 H new ATOM 0 HE1 PHE A 17 0.069 -5.192 -0.349 1.00 3.14 H new ATOM 0 HE2 PHE A 17 -0.314 -8.402 -3.176 1.00 2.59 H new ATOM 0 HZ PHE A 17 -0.409 -5.981 -2.650 1.00 2.38 H new ATOM 239 N HIS A 18 3.346 -10.705 -0.341 1.00 4.92 N ATOM 240 CA HIS A 18 4.186 -10.829 -1.575 1.00 5.06 C ATOM 241 C HIS A 18 3.515 -10.085 -2.762 1.00 4.32 C ATOM 242 O HIS A 18 2.307 -10.104 -2.903 1.00 4.10 O ATOM 243 CB HIS A 18 4.398 -12.321 -1.842 1.00 5.95 C ATOM 244 CG HIS A 18 4.918 -12.527 -3.218 1.00 6.25 C ATOM 245 ND1 HIS A 18 6.269 -12.610 -3.517 1.00 6.36 N ATOM 246 CD2 HIS A 18 4.264 -12.659 -4.388 1.00 6.72 C ATOM 247 CE1 HIS A 18 6.365 -12.785 -4.845 1.00 6.81 C ATOM 248 NE2 HIS A 18 5.168 -12.829 -5.415 1.00 7.07 N ATOM 0 H HIS A 18 2.914 -11.576 -0.031 1.00 4.92 H new ATOM 0 HA HIS A 18 5.160 -10.358 -1.444 1.00 5.06 H new ATOM 0 HB2 HIS A 18 5.099 -12.732 -1.115 1.00 5.95 H new ATOM 0 HB3 HIS A 18 3.458 -12.858 -1.717 1.00 5.95 H new ATOM 0 HD1 HIS A 18 7.042 -12.550 -2.855 1.00 6.36 H new ATOM 0 HD2 HIS A 18 3.191 -12.635 -4.504 1.00 6.72 H new ATOM 0 HE1 HIS A 18 7.298 -12.878 -5.381 1.00 6.81 H new ATOM 256 N PRO A 19 4.340 -9.392 -3.541 1.00 4.16 N ATOM 257 CA PRO A 19 3.890 -8.544 -4.682 1.00 3.77 C ATOM 258 C PRO A 19 3.479 -9.307 -5.953 1.00 4.27 C ATOM 259 O PRO A 19 2.504 -8.946 -6.582 1.00 4.32 O ATOM 260 CB PRO A 19 5.116 -7.675 -4.982 1.00 3.96 C ATOM 261 CG PRO A 19 6.340 -8.432 -4.422 1.00 4.62 C ATOM 262 CD PRO A 19 5.808 -9.396 -3.349 1.00 4.65 C ATOM 0 HA PRO A 19 2.985 -8.004 -4.404 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.220 -7.509 -6.054 1.00 3.96 H new ATOM 0 HB3 PRO A 19 5.020 -6.695 -4.515 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.853 -8.978 -5.214 1.00 4.62 H new ATOM 0 HG3 PRO A 19 7.063 -7.737 -3.994 1.00 4.62 H new ATOM 0 HD2 PRO A 19 6.222 -10.397 -3.474 1.00 4.65 H new ATOM 0 HD3 PRO A 19 6.078 -9.063 -2.347 1.00 4.65 H new ATOM 270 N LYS A 20 4.222 -10.305 -6.374 1.00 4.91 N ATOM 271 CA LYS A 20 3.864 -11.026 -7.650 1.00 5.52 C ATOM 272 C LYS A 20 2.388 -11.472 -7.655 1.00 5.00 C ATOM 273 O LYS A 20 1.793 -11.607 -8.709 1.00 5.39 O ATOM 274 CB LYS A 20 4.774 -12.226 -7.876 1.00 6.44 C ATOM 275 CG LYS A 20 4.932 -12.479 -9.377 1.00 7.16 C ATOM 276 CD LYS A 20 6.096 -13.445 -9.613 1.00 7.91 C ATOM 277 CE LYS A 20 5.595 -14.890 -9.521 1.00 8.41 C ATOM 278 NZ LYS A 20 6.662 -15.818 -9.993 1.00 8.95 N ATOM 0 H LYS A 20 5.054 -10.653 -5.898 1.00 4.91 H new ATOM 0 HA LYS A 20 4.008 -10.320 -8.468 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.749 -12.045 -7.423 1.00 6.44 H new ATOM 0 HB3 LYS A 20 4.356 -13.108 -7.391 1.00 6.44 H new ATOM 0 HG2 LYS A 20 4.011 -12.896 -9.785 1.00 7.16 H new ATOM 0 HG3 LYS A 20 5.114 -11.539 -9.898 1.00 7.16 H new ATOM 0 HD2 LYS A 20 6.538 -13.265 -10.593 1.00 7.91 H new ATOM 0 HD3 LYS A 20 6.879 -13.274 -8.874 1.00 7.91 H new ATOM 0 HE2 LYS A 20 5.322 -15.126 -8.493 1.00 8.41 H new ATOM 0 HE3 LYS A 20 4.697 -15.014 -10.126 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 6.322 -16.799 -9.930 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 6.902 -15.597 -10.980 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 7.507 -15.706 -9.398 1.00 8.95 H new ATOM 292 N PHE A 21 1.778 -11.669 -6.502 1.00 4.37 N ATOM 293 CA PHE A 21 0.335 -12.066 -6.471 1.00 4.15 C ATOM 294 C PHE A 21 -0.498 -10.949 -7.112 1.00 3.56 C ATOM 295 O PHE A 21 -1.457 -11.198 -7.819 1.00 3.88 O ATOM 296 CB PHE A 21 -0.138 -12.241 -5.030 1.00 4.02 C ATOM 297 CG PHE A 21 0.717 -13.231 -4.268 1.00 4.64 C ATOM 298 CD1 PHE A 21 1.383 -14.272 -4.932 1.00 5.11 C ATOM 299 CD2 PHE A 21 0.832 -13.106 -2.877 1.00 5.12 C ATOM 300 CE1 PHE A 21 2.162 -15.180 -4.203 1.00 5.85 C ATOM 301 CE2 PHE A 21 1.607 -14.015 -2.151 1.00 5.85 C ATOM 302 CZ PHE A 21 2.274 -15.052 -2.814 1.00 6.13 C ATOM 0 H PHE A 21 2.219 -11.571 -5.588 1.00 4.37 H new ATOM 0 HA PHE A 21 0.216 -13.005 -7.011 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.116 -11.277 -4.522 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.174 -12.579 -5.027 1.00 4.02 H new ATOM 0 HD1 PHE A 21 1.295 -14.373 -6.004 1.00 5.11 H new ATOM 0 HD2 PHE A 21 0.320 -12.305 -2.364 1.00 5.12 H new ATOM 0 HE1 PHE A 21 2.677 -15.980 -4.714 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.691 -13.917 -1.079 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.875 -15.753 -2.254 1.00 6.13 H new ATOM 312 N ILE A 22 -0.123 -9.717 -6.852 1.00 2.94 N ATOM 313 CA ILE A 22 -0.854 -8.542 -7.413 1.00 2.62 C ATOM 314 C ILE A 22 -0.809 -8.570 -8.942 1.00 3.41 C ATOM 315 O ILE A 22 0.244 -8.490 -9.548 1.00 4.13 O ATOM 316 CB ILE A 22 -0.194 -7.250 -6.898 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.325 -7.173 -5.368 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.871 -6.030 -7.525 1.00 2.53 C ATOM 319 CD1 ILE A 22 -1.784 -7.386 -4.949 1.00 2.47 C ATOM 0 H ILE A 22 0.674 -9.476 -6.263 1.00 2.94 H new ATOM 0 HA ILE A 22 -1.896 -8.579 -7.095 1.00 2.62 H new ATOM 0 HB ILE A 22 0.860 -7.259 -7.174 1.00 2.18 H new ATOM 0 HG12 ILE A 22 0.308 -7.929 -4.903 1.00 2.00 H new ATOM 0 HG13 ILE A 22 0.024 -6.203 -5.014 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.397 -5.121 -7.155 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.771 -6.076 -8.609 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.928 -6.023 -7.258 1.00 2.53 H new ATOM 0 HD11 ILE A 22 -1.863 -7.329 -3.863 1.00 2.47 H new ATOM 0 HD12 ILE A 22 -2.408 -6.614 -5.399 1.00 2.47 H new ATOM 0 HD13 ILE A 22 -2.120 -8.367 -5.286 1.00 2.47 H new ATOM 331 N LYS A 23 -1.955 -8.663 -9.564 1.00 3.62 N ATOM 332 CA LYS A 23 -2.011 -8.669 -11.054 1.00 4.61 C ATOM 333 C LYS A 23 -1.934 -7.220 -11.559 1.00 5.00 C ATOM 334 O LYS A 23 -1.454 -6.961 -12.646 1.00 5.88 O ATOM 335 CB LYS A 23 -3.326 -9.310 -11.509 1.00 5.10 C ATOM 336 CG LYS A 23 -3.161 -9.895 -12.915 1.00 5.85 C ATOM 337 CD LYS A 23 -4.438 -10.642 -13.312 1.00 6.35 C ATOM 338 CE LYS A 23 -4.392 -12.073 -12.764 1.00 6.93 C ATOM 339 NZ LYS A 23 -5.227 -12.963 -13.620 1.00 7.72 N ATOM 0 H LYS A 23 -2.860 -8.736 -9.100 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.176 -9.242 -11.459 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -3.619 -10.094 -10.811 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -4.123 -8.567 -11.506 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -2.956 -9.098 -13.630 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -2.308 -10.573 -12.940 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -5.312 -10.121 -12.921 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -4.537 -10.661 -14.397 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -3.363 -12.432 -12.743 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -4.757 -12.092 -11.737 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -5.195 -13.933 -13.247 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -6.210 -12.624 -13.618 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -4.859 -12.954 -14.593 1.00 7.72 H new ATOM 353 N GLU A 24 -2.398 -6.276 -10.765 1.00 4.51 N ATOM 354 CA GLU A 24 -2.353 -4.840 -11.181 1.00 5.13 C ATOM 355 C GLU A 24 -1.996 -3.969 -9.967 1.00 4.55 C ATOM 356 O GLU A 24 -2.802 -3.787 -9.073 1.00 4.65 O ATOM 357 CB GLU A 24 -3.723 -4.419 -11.729 1.00 5.78 C ATOM 358 CG GLU A 24 -3.875 -4.901 -13.176 1.00 6.35 C ATOM 359 CD GLU A 24 -2.980 -4.066 -14.098 1.00 7.36 C ATOM 360 OE1 GLU A 24 -3.392 -2.978 -14.468 1.00 7.77 O ATOM 361 OE2 GLU A 24 -1.898 -4.529 -14.421 1.00 7.92 O ATOM 0 H GLU A 24 -2.806 -6.444 -9.845 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.599 -4.710 -11.958 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.517 -4.839 -11.111 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.825 -3.335 -11.685 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -3.605 -5.955 -13.248 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -4.915 -4.816 -13.490 1.00 6.35 H new HETATM 368 N MLE A 25 -0.792 -3.436 -9.919 1.00 4.25 N HETATM 369 CN MLE A 25 -0.240 -2.888 -11.201 1.00 5.13 C HETATM 370 CA MLE A 25 -0.392 -2.584 -8.743 1.00 3.66 C HETATM 371 CB MLE A 25 0.966 -3.051 -8.201 1.00 3.52 C HETATM 372 CG MLE A 25 1.455 -2.073 -7.123 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.089 -2.851 -5.972 1.00 2.93 C HETATM 374 CD2 MLE A 25 2.494 -1.114 -7.723 1.00 3.54 C HETATM 375 C MLE A 25 -0.283 -1.115 -9.174 1.00 4.19 C HETATM 376 O MLE A 25 0.668 -0.723 -9.826 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.341 -1.686 -8.101 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.041 -0.552 -8.540 1.00 3.54 H new HETATM 0 HD21 MLE A 25 2.838 -0.422 -6.954 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.351 -3.526 -5.539 1.00 2.93 H new HETATM 0 HD12 MLE A 25 2.934 -3.429 -6.346 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.435 -2.154 -5.209 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.620 -1.879 -11.359 1.00 5.13 H new HETATM 0 HN2 MLE A 25 0.848 -2.861 -11.147 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.546 -3.525 -12.031 1.00 5.13 H new HETATM 0 HG MLE A 25 0.606 -1.500 -6.751 1.00 3.28 H new HETATM 0 HB3 MLE A 25 0.877 -4.054 -7.783 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.692 -3.107 -9.012 1.00 3.52 H new HETATM 0 HA MLE A 25 -1.150 -2.680 -7.965 1.00 3.66 H new ATOM 390 N ARG A 26 -1.238 -0.301 -8.820 1.00 4.14 N ATOM 391 CA ARG A 26 -1.157 1.129 -9.225 1.00 4.79 C ATOM 392 C ARG A 26 -1.195 2.033 -7.983 1.00 4.70 C ATOM 393 O ARG A 26 -2.069 1.916 -7.147 1.00 4.97 O ATOM 394 CB ARG A 26 -2.325 1.478 -10.161 1.00 5.59 C ATOM 395 CG ARG A 26 -3.661 1.170 -9.474 1.00 5.99 C ATOM 396 CD ARG A 26 -4.801 1.301 -10.484 1.00 6.35 C ATOM 397 NE ARG A 26 -6.082 0.885 -9.840 1.00 7.16 N ATOM 398 CZ ARG A 26 -7.183 1.547 -10.082 1.00 7.92 C ATOM 399 NH1 ARG A 26 -7.369 2.726 -9.545 1.00 8.32 N ATOM 400 NH2 ARG A 26 -8.099 1.026 -10.859 1.00 8.52 N ATOM 0 H ARG A 26 -2.061 -0.559 -8.275 1.00 4.14 H new ATOM 0 HA ARG A 26 -0.217 1.292 -9.753 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.281 2.533 -10.432 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -2.243 0.907 -11.086 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -3.644 0.162 -9.059 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -3.819 1.855 -8.641 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -4.875 2.330 -10.835 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -4.601 0.680 -11.357 1.00 6.35 H new ATOM 0 HE ARG A 26 -6.098 0.083 -9.210 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -6.655 3.128 -8.938 1.00 8.32 H new ATOM 0 HH12 ARG A 26 -8.228 3.243 -9.734 1.00 8.32 H new ATOM 0 HH21 ARG A 26 -7.953 0.106 -11.274 1.00 8.52 H new ATOM 0 HH22 ARG A 26 -8.959 1.540 -11.049 1.00 8.52 H new ATOM 414 N VAL A 27 -0.255 2.935 -7.866 1.00 4.69 N ATOM 415 CA VAL A 27 -0.225 3.854 -6.690 1.00 4.83 C ATOM 416 C VAL A 27 -0.690 5.252 -7.120 1.00 4.79 C ATOM 417 O VAL A 27 -0.480 5.663 -8.248 1.00 5.45 O ATOM 418 CB VAL A 27 1.205 3.935 -6.142 1.00 5.66 C ATOM 419 CG1 VAL A 27 1.564 2.622 -5.447 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.201 4.191 -7.281 1.00 6.04 C ATOM 0 H VAL A 27 0.498 3.075 -8.540 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.890 3.474 -5.914 1.00 4.83 H new ATOM 0 HB VAL A 27 1.259 4.758 -5.430 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.581 2.682 -5.058 1.00 6.10 H new ATOM 0 HG12 VAL A 27 0.871 2.444 -4.625 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.497 1.802 -6.162 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.211 4.246 -6.875 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.144 3.377 -8.004 1.00 6.04 H new ATOM 0 HG23 VAL A 27 1.956 5.132 -7.774 1.00 6.04 H new ATOM 430 N ILE A 28 -1.313 5.990 -6.228 1.00 4.28 N ATOM 431 CA ILE A 28 -1.780 7.364 -6.586 1.00 4.40 C ATOM 432 C ILE A 28 -0.906 8.391 -5.860 1.00 4.70 C ATOM 433 O ILE A 28 -0.658 8.277 -4.673 1.00 5.01 O ATOM 434 CB ILE A 28 -3.252 7.537 -6.180 1.00 4.45 C ATOM 435 CG1 ILE A 28 -4.119 6.575 -7.002 1.00 4.94 C ATOM 436 CG2 ILE A 28 -3.699 8.980 -6.451 1.00 4.49 C ATOM 437 CD1 ILE A 28 -5.560 6.603 -6.486 1.00 5.05 C ATOM 0 H ILE A 28 -1.516 5.699 -5.272 1.00 4.28 H new ATOM 0 HA ILE A 28 -1.698 7.514 -7.663 1.00 4.40 H new ATOM 0 HB ILE A 28 -3.362 7.319 -5.118 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -4.095 6.858 -8.054 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -3.719 5.563 -6.935 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -4.743 9.098 -6.162 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -3.082 9.667 -5.872 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -3.590 9.202 -7.513 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -6.170 5.918 -7.074 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -5.578 6.298 -5.440 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -5.959 7.613 -6.576 1.00 5.05 H new ATOM 449 N GLU A 29 -0.430 9.388 -6.570 1.00 5.08 N ATOM 450 CA GLU A 29 0.442 10.426 -5.940 1.00 5.75 C ATOM 451 C GLU A 29 -0.349 11.247 -4.914 1.00 5.30 C ATOM 452 O GLU A 29 -1.553 11.113 -4.782 1.00 4.95 O ATOM 453 CB GLU A 29 0.996 11.365 -7.019 1.00 6.63 C ATOM 454 CG GLU A 29 -0.134 11.862 -7.929 1.00 7.40 C ATOM 455 CD GLU A 29 -0.026 13.381 -8.099 1.00 8.35 C ATOM 456 OE1 GLU A 29 0.672 13.809 -9.004 1.00 9.09 O ATOM 457 OE2 GLU A 29 -0.644 14.089 -7.321 1.00 8.53 O ATOM 0 H GLU A 29 -0.611 9.526 -7.564 1.00 5.08 H new ATOM 0 HA GLU A 29 1.264 9.921 -5.432 1.00 5.75 H new ATOM 0 HB2 GLU A 29 1.494 12.214 -6.550 1.00 6.63 H new ATOM 0 HB3 GLU A 29 1.747 10.844 -7.613 1.00 6.63 H new ATOM 0 HG2 GLU A 29 -0.074 11.372 -8.901 1.00 7.40 H new ATOM 0 HG3 GLU A 29 -1.102 11.602 -7.500 1.00 7.40 H new ATOM 464 N SER A 30 0.333 12.096 -4.189 1.00 5.67 N ATOM 465 CA SER A 30 -0.345 12.938 -3.162 1.00 5.68 C ATOM 466 C SER A 30 -0.460 14.383 -3.664 1.00 6.20 C ATOM 467 O SER A 30 0.215 14.788 -4.594 1.00 6.77 O ATOM 468 CB SER A 30 0.466 12.914 -1.862 1.00 6.35 C ATOM 469 OG SER A 30 1.851 12.781 -2.161 1.00 7.18 O ATOM 0 H SER A 30 1.340 12.242 -4.266 1.00 5.67 H new ATOM 0 HA SER A 30 -1.343 12.541 -2.978 1.00 5.68 H new ATOM 0 HB2 SER A 30 0.293 13.830 -1.297 1.00 6.35 H new ATOM 0 HB3 SER A 30 0.139 12.086 -1.234 1.00 6.35 H new ATOM 0 HG SER A 30 2.152 11.880 -1.921 1.00 7.18 H new ATOM 475 N GLY A 31 -1.313 15.157 -3.046 1.00 6.36 N ATOM 476 CA GLY A 31 -1.500 16.581 -3.461 1.00 7.19 C ATOM 477 C GLY A 31 -2.427 17.273 -2.454 1.00 7.66 C ATOM 478 O GLY A 31 -2.456 16.903 -1.294 1.00 7.75 O ATOM 0 H GLY A 31 -1.895 14.861 -2.263 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -0.538 17.092 -3.501 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -1.928 16.629 -4.462 1.00 7.19 H new ATOM 482 N PRO A 32 -3.190 18.232 -2.927 1.00 8.17 N ATOM 483 CA PRO A 32 -4.162 18.956 -2.080 1.00 8.85 C ATOM 484 C PRO A 32 -5.360 18.033 -1.800 1.00 8.11 C ATOM 485 O PRO A 32 -5.931 18.044 -0.727 1.00 8.52 O ATOM 486 CB PRO A 32 -4.558 20.167 -2.933 1.00 9.69 C ATOM 487 CG PRO A 32 -4.238 19.788 -4.398 1.00 9.20 C ATOM 488 CD PRO A 32 -3.166 18.681 -4.337 1.00 8.39 C ATOM 0 HA PRO A 32 -3.773 19.263 -1.109 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -5.617 20.398 -2.813 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -4.002 21.054 -2.630 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.132 19.435 -4.912 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -3.872 20.653 -4.952 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -3.398 17.863 -5.020 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -2.184 19.061 -4.617 1.00 8.39 H new ATOM 496 N HIS A 33 -5.705 17.216 -2.767 1.00 7.21 N ATOM 497 CA HIS A 33 -6.829 16.238 -2.612 1.00 6.64 C ATOM 498 C HIS A 33 -6.518 15.278 -1.449 1.00 5.94 C ATOM 499 O HIS A 33 -7.399 14.875 -0.712 1.00 6.05 O ATOM 500 CB HIS A 33 -6.977 15.427 -3.915 1.00 6.27 C ATOM 501 CG HIS A 33 -5.662 14.757 -4.260 1.00 5.79 C ATOM 502 ND1 HIS A 33 -4.639 15.428 -4.918 1.00 6.54 N ATOM 503 CD2 HIS A 33 -5.174 13.499 -4.002 1.00 4.91 C ATOM 504 CE1 HIS A 33 -3.598 14.584 -5.021 1.00 6.20 C ATOM 505 NE2 HIS A 33 -3.871 13.392 -4.482 1.00 5.23 N ATOM 0 H HIS A 33 -5.244 17.186 -3.677 1.00 7.21 H new ATOM 0 HA HIS A 33 -7.754 16.775 -2.403 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -7.758 14.676 -3.799 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -7.285 16.084 -4.729 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -5.719 12.712 -3.502 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -2.656 14.838 -5.483 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -3.257 12.579 -4.433 1.00 5.23 H new ATOM 513 N CYS A 34 -5.265 14.922 -1.284 1.00 5.51 N ATOM 514 CA CYS A 34 -4.860 14.006 -0.186 1.00 5.12 C ATOM 515 C CYS A 34 -3.342 14.097 -0.006 1.00 5.54 C ATOM 516 O CYS A 34 -2.579 13.640 -0.840 1.00 5.84 O ATOM 517 CB CYS A 34 -5.260 12.563 -0.528 1.00 4.12 C ATOM 518 SG CYS A 34 -5.845 11.730 0.969 1.00 4.37 S ATOM 0 H CYS A 34 -4.498 15.237 -1.878 1.00 5.51 H new ATOM 0 HA CYS A 34 -5.362 14.295 0.738 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.042 12.561 -1.288 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.408 12.027 -0.946 1.00 4.12 H new ATOM 523 N ALA A 35 -2.898 14.695 1.073 1.00 5.90 N ATOM 524 CA ALA A 35 -1.427 14.837 1.316 1.00 6.66 C ATOM 525 C ALA A 35 -0.782 13.458 1.515 1.00 6.33 C ATOM 526 O ALA A 35 0.370 13.257 1.179 1.00 6.77 O ATOM 527 CB ALA A 35 -1.197 15.689 2.566 1.00 7.59 C ATOM 0 H ALA A 35 -3.494 15.093 1.799 1.00 5.90 H new ATOM 0 HA ALA A 35 -0.972 15.319 0.450 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -0.127 15.793 2.744 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -1.638 16.675 2.420 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -1.662 15.207 3.426 1.00 7.59 H new ATOM 533 N ASN A 36 -1.512 12.512 2.057 1.00 5.85 N ATOM 534 CA ASN A 36 -0.941 11.151 2.277 1.00 5.88 C ATOM 535 C ASN A 36 -1.019 10.339 0.978 1.00 5.34 C ATOM 536 O ASN A 36 -2.049 10.288 0.329 1.00 5.26 O ATOM 537 CB ASN A 36 -1.738 10.437 3.372 1.00 6.50 C ATOM 538 CG ASN A 36 -1.150 10.780 4.744 1.00 7.27 C ATOM 539 OD1 ASN A 36 -0.162 10.203 5.155 1.00 7.78 O ATOM 540 ND2 ASN A 36 -1.719 11.699 5.475 1.00 7.61 N ATOM 0 H ASN A 36 -2.480 12.627 2.356 1.00 5.85 H new ATOM 0 HA ASN A 36 0.101 11.242 2.582 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.785 10.738 3.328 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.709 9.359 3.212 1.00 6.50 H new ATOM 0 HD21 ASN A 36 -1.335 11.933 6.390 1.00 7.61 H new ATOM 0 HD22 ASN A 36 -2.548 12.184 5.131 1.00 7.61 H new ATOM 547 N THR A 37 0.063 9.697 0.602 1.00 5.30 N ATOM 548 CA THR A 37 0.064 8.873 -0.648 1.00 5.18 C ATOM 549 C THR A 37 -0.780 7.612 -0.417 1.00 4.58 C ATOM 550 O THR A 37 -0.825 7.082 0.679 1.00 4.95 O ATOM 551 CB THR A 37 1.506 8.475 -0.996 1.00 5.98 C ATOM 552 OG1 THR A 37 2.301 9.647 -1.121 1.00 6.76 O ATOM 553 CG2 THR A 37 1.533 7.701 -2.318 1.00 6.31 C ATOM 0 H THR A 37 0.948 9.709 1.110 1.00 5.30 H new ATOM 0 HA THR A 37 -0.358 9.449 -1.472 1.00 5.18 H new ATOM 0 HB THR A 37 1.903 7.841 -0.203 1.00 5.98 H new ATOM 0 HG1 THR A 37 3.222 9.395 -1.342 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.560 7.423 -2.556 1.00 6.31 H new ATOM 0 HG22 THR A 37 0.926 6.801 -2.225 1.00 6.31 H new ATOM 0 HG23 THR A 37 1.133 8.328 -3.115 1.00 6.31 H new ATOM 561 N GLU A 38 -1.459 7.134 -1.434 1.00 3.94 N ATOM 562 CA GLU A 38 -2.305 5.923 -1.266 1.00 3.67 C ATOM 563 C GLU A 38 -1.926 4.879 -2.319 1.00 2.99 C ATOM 564 O GLU A 38 -2.061 5.105 -3.507 1.00 3.33 O ATOM 565 CB GLU A 38 -3.780 6.303 -1.432 1.00 4.35 C ATOM 566 CG GLU A 38 -3.948 7.320 -2.574 1.00 4.96 C ATOM 567 CD GLU A 38 -5.371 7.251 -3.151 1.00 5.76 C ATOM 568 OE1 GLU A 38 -5.935 6.166 -3.196 1.00 6.10 O ATOM 569 OE2 GLU A 38 -5.873 8.290 -3.549 1.00 6.28 O ATOM 0 H GLU A 38 -1.460 7.535 -2.372 1.00 3.94 H new ATOM 0 HA GLU A 38 -2.145 5.507 -0.271 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -4.370 5.411 -1.642 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -4.160 6.725 -0.502 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -3.747 8.326 -2.206 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -3.220 7.117 -3.360 1.00 4.96 H new ATOM 576 N ILE A 39 -1.463 3.731 -1.891 1.00 2.48 N ATOM 577 CA ILE A 39 -1.089 2.665 -2.865 1.00 2.38 C ATOM 578 C ILE A 39 -2.345 1.847 -3.200 1.00 2.16 C ATOM 579 O ILE A 39 -3.296 1.829 -2.443 1.00 2.22 O ATOM 580 CB ILE A 39 -0.014 1.767 -2.231 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.318 2.527 -2.180 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.169 0.484 -3.052 1.00 3.44 C ATOM 583 CD1 ILE A 39 1.625 2.943 -0.738 1.00 2.94 C ATOM 0 H ILE A 39 -1.329 3.488 -0.910 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.690 3.100 -3.781 1.00 2.38 H new ATOM 0 HB ILE A 39 -0.332 1.499 -1.223 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.121 1.898 -2.565 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.269 3.408 -2.819 1.00 2.79 H new ATOM 0 HG21 ILE A 39 0.934 -0.139 -2.588 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.773 -0.063 -3.087 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.477 0.741 -4.066 1.00 3.44 H new ATOM 0 HD11 ILE A 39 2.572 3.482 -0.709 1.00 2.94 H new ATOM 0 HD12 ILE A 39 0.828 3.588 -0.368 1.00 2.94 H new ATOM 0 HD13 ILE A 39 1.694 2.055 -0.110 1.00 2.94 H new ATOM 595 N ILE A 40 -2.358 1.171 -4.322 1.00 2.34 N ATOM 596 CA ILE A 40 -3.552 0.345 -4.690 1.00 2.36 C ATOM 597 C ILE A 40 -3.086 -0.877 -5.478 1.00 2.37 C ATOM 598 O ILE A 40 -2.322 -0.769 -6.416 1.00 3.02 O ATOM 599 CB ILE A 40 -4.542 1.147 -5.549 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.847 2.494 -4.882 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.843 0.347 -5.693 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.574 3.407 -5.873 1.00 4.01 C ATOM 0 H ILE A 40 -1.595 1.155 -4.999 1.00 2.34 H new ATOM 0 HA ILE A 40 -4.058 0.043 -3.773 1.00 2.36 H new ATOM 0 HB ILE A 40 -4.103 1.327 -6.530 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.462 2.341 -3.995 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -3.921 2.965 -4.551 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.551 0.910 -6.302 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.631 -0.608 -6.173 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -6.273 0.170 -4.707 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -5.789 4.363 -5.396 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -4.943 3.571 -6.747 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.508 2.938 -6.183 1.00 4.01 H new ATOM 614 N VAL A 41 -3.540 -2.039 -5.098 1.00 2.04 N ATOM 615 CA VAL A 41 -3.140 -3.277 -5.804 1.00 2.10 C ATOM 616 C VAL A 41 -4.386 -4.138 -6.059 1.00 2.33 C ATOM 617 O VAL A 41 -5.441 -3.900 -5.502 1.00 2.79 O ATOM 618 CB VAL A 41 -2.147 -4.050 -4.933 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.851 -3.249 -4.786 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.744 -4.311 -3.544 1.00 3.20 C ATOM 0 H VAL A 41 -4.180 -2.180 -4.316 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.672 -3.029 -6.756 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.934 -5.005 -5.414 1.00 2.21 H new ATOM 0 HG11 VAL A 41 -0.148 -3.805 -4.165 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.413 -3.083 -5.770 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -1.068 -2.289 -4.318 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -2.026 -4.862 -2.937 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.973 -3.361 -3.062 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.658 -4.897 -3.645 1.00 3.20 H new ATOM 630 N LYS A 42 -4.267 -5.136 -6.896 1.00 2.44 N ATOM 631 CA LYS A 42 -5.434 -6.019 -7.186 1.00 2.97 C ATOM 632 C LYS A 42 -4.985 -7.483 -7.117 1.00 2.77 C ATOM 633 O LYS A 42 -4.461 -8.027 -8.073 1.00 2.98 O ATOM 634 CB LYS A 42 -5.987 -5.706 -8.583 1.00 3.77 C ATOM 635 CG LYS A 42 -7.500 -5.480 -8.496 1.00 4.68 C ATOM 636 CD LYS A 42 -8.157 -5.852 -9.831 1.00 5.42 C ATOM 637 CE LYS A 42 -8.787 -7.246 -9.728 1.00 5.72 C ATOM 638 NZ LYS A 42 -10.076 -7.163 -8.979 1.00 6.76 N ATOM 0 H LYS A 42 -3.409 -5.377 -7.392 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.219 -5.844 -6.450 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.499 -4.820 -8.988 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -5.770 -6.529 -9.264 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.922 -6.083 -7.692 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.708 -4.437 -8.255 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -8.919 -5.117 -10.089 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -7.415 -5.836 -10.629 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -8.960 -7.652 -10.725 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -8.104 -7.927 -9.221 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -10.303 -8.094 -8.574 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -9.988 -6.464 -8.214 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -10.836 -6.873 -9.627 1.00 6.76 H new ATOM 652 N LEU A 43 -5.177 -8.114 -5.982 1.00 3.01 N ATOM 653 CA LEU A 43 -4.765 -9.539 -5.814 1.00 3.31 C ATOM 654 C LEU A 43 -5.381 -10.409 -6.912 1.00 3.92 C ATOM 655 O LEU A 43 -6.510 -10.202 -7.328 1.00 4.54 O ATOM 656 CB LEU A 43 -5.243 -10.044 -4.456 1.00 4.01 C ATOM 657 CG LEU A 43 -4.348 -9.476 -3.349 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.035 -9.641 -1.992 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.010 -10.224 -3.335 1.00 3.91 C ATOM 0 H LEU A 43 -5.607 -7.695 -5.157 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.679 -9.599 -5.880 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.278 -9.745 -4.290 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.219 -11.133 -4.433 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.173 -8.417 -3.539 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.395 -9.236 -1.208 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -5.985 -9.106 -1.998 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.216 -10.699 -1.802 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.375 -9.819 -2.547 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.187 -11.283 -3.149 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.515 -10.102 -4.299 1.00 3.91 H new ATOM 671 N SER A 44 -4.633 -11.386 -7.368 1.00 3.99 N ATOM 672 CA SER A 44 -5.117 -12.309 -8.440 1.00 4.72 C ATOM 673 C SER A 44 -6.408 -13.022 -8.007 1.00 5.55 C ATOM 674 O SER A 44 -7.194 -13.442 -8.836 1.00 6.08 O ATOM 675 CB SER A 44 -4.036 -13.355 -8.740 1.00 4.98 C ATOM 676 OG SER A 44 -3.651 -14.000 -7.530 1.00 5.08 O ATOM 0 H SER A 44 -3.690 -11.585 -7.035 1.00 3.99 H new ATOM 0 HA SER A 44 -5.327 -11.721 -9.334 1.00 4.72 H new ATOM 0 HB2 SER A 44 -4.413 -14.089 -9.452 1.00 4.98 H new ATOM 0 HB3 SER A 44 -3.171 -12.878 -9.201 1.00 4.98 H new ATOM 0 HG SER A 44 -2.962 -14.670 -7.721 1.00 5.08 H new ATOM 682 N ASP A 45 -6.637 -13.158 -6.719 1.00 5.91 N ATOM 683 CA ASP A 45 -7.876 -13.832 -6.238 1.00 7.02 C ATOM 684 C ASP A 45 -9.110 -12.955 -6.521 1.00 7.25 C ATOM 685 O ASP A 45 -10.232 -13.372 -6.301 1.00 8.19 O ATOM 686 CB ASP A 45 -7.762 -14.081 -4.730 1.00 7.64 C ATOM 687 CG ASP A 45 -6.933 -15.343 -4.481 1.00 8.01 C ATOM 688 OD1 ASP A 45 -5.716 -15.242 -4.492 1.00 7.89 O ATOM 689 OD2 ASP A 45 -7.528 -16.391 -4.286 1.00 8.63 O ATOM 0 H ASP A 45 -6.013 -12.828 -5.983 1.00 5.91 H new ATOM 0 HA ASP A 45 -7.991 -14.779 -6.764 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -7.295 -13.225 -4.244 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -8.754 -14.193 -4.293 1.00 7.64 H new ATOM 694 N GLY A 46 -8.913 -11.742 -6.998 1.00 6.57 N ATOM 695 CA GLY A 46 -10.063 -10.840 -7.283 1.00 7.07 C ATOM 696 C GLY A 46 -10.284 -9.923 -6.082 1.00 6.74 C ATOM 697 O GLY A 46 -11.405 -9.586 -5.749 1.00 7.17 O ATOM 0 H GLY A 46 -7.996 -11.344 -7.200 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.865 -10.249 -8.177 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -10.961 -11.425 -7.480 1.00 7.07 H new ATOM 701 N ARG A 47 -9.222 -9.525 -5.419 1.00 6.21 N ATOM 702 CA ARG A 47 -9.369 -8.639 -4.228 1.00 6.07 C ATOM 703 C ARG A 47 -8.738 -7.271 -4.512 1.00 5.32 C ATOM 704 O ARG A 47 -7.880 -7.137 -5.361 1.00 5.06 O ATOM 705 CB ARG A 47 -8.664 -9.297 -3.033 1.00 6.43 C ATOM 706 CG ARG A 47 -9.098 -8.632 -1.721 1.00 7.27 C ATOM 707 CD ARG A 47 -10.559 -8.980 -1.424 1.00 7.96 C ATOM 708 NE ARG A 47 -10.855 -8.707 0.012 1.00 8.82 N ATOM 709 CZ ARG A 47 -10.917 -9.695 0.869 1.00 9.62 C ATOM 710 NH1 ARG A 47 -11.978 -10.461 0.907 1.00 10.15 N ATOM 711 NH2 ARG A 47 -9.918 -9.914 1.685 1.00 10.10 N ATOM 0 H ARG A 47 -8.262 -9.778 -5.654 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.426 -8.497 -4.004 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -8.901 -10.361 -3.004 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.583 -9.214 -3.150 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.461 -8.969 -0.903 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -8.979 -7.551 -1.793 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -11.220 -8.392 -2.060 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -10.747 -10.029 -1.652 1.00 7.96 H new ATOM 0 HE ARG A 47 -11.009 -7.749 0.327 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -12.755 -10.288 0.269 1.00 10.15 H new ATOM 0 HH12 ARG A 47 -12.027 -11.231 1.574 1.00 10.15 H new ATOM 0 HH21 ARG A 47 -9.093 -9.316 1.653 1.00 10.10 H new ATOM 0 HH22 ARG A 47 -9.965 -10.683 2.353 1.00 10.10 H new ATOM 725 N GLU A 48 -9.153 -6.261 -3.791 1.00 5.24 N ATOM 726 CA GLU A 48 -8.576 -4.898 -3.984 1.00 4.73 C ATOM 727 C GLU A 48 -8.073 -4.404 -2.627 1.00 4.69 C ATOM 728 O GLU A 48 -8.835 -4.285 -1.684 1.00 5.44 O ATOM 729 CB GLU A 48 -9.647 -3.945 -4.528 1.00 5.60 C ATOM 730 CG GLU A 48 -9.242 -3.469 -5.926 1.00 5.76 C ATOM 731 CD GLU A 48 -10.231 -2.407 -6.414 1.00 6.79 C ATOM 732 OE1 GLU A 48 -10.012 -1.243 -6.120 1.00 7.12 O ATOM 733 OE2 GLU A 48 -11.189 -2.776 -7.071 1.00 7.44 O ATOM 0 H GLU A 48 -9.873 -6.324 -3.071 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.756 -4.932 -4.702 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -10.612 -4.450 -4.569 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -9.763 -3.091 -3.860 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -8.233 -3.057 -5.903 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -9.227 -4.311 -6.618 1.00 5.76 H new ATOM 740 N LEU A 49 -6.793 -4.144 -2.508 1.00 4.08 N ATOM 741 CA LEU A 49 -6.245 -3.690 -1.193 1.00 4.35 C ATOM 742 C LEU A 49 -5.330 -2.482 -1.377 1.00 3.99 C ATOM 743 O LEU A 49 -4.318 -2.558 -2.040 1.00 3.87 O ATOM 744 CB LEU A 49 -5.419 -4.817 -0.568 1.00 4.67 C ATOM 745 CG LEU A 49 -6.153 -5.419 0.633 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.156 -6.469 0.152 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.132 -6.084 1.559 1.00 4.69 C ATOM 0 H LEU A 49 -6.109 -4.226 -3.260 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.083 -3.420 -0.551 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.229 -5.592 -1.311 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.449 -4.433 -0.253 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.684 -4.631 1.167 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.676 -6.895 1.010 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.880 -6.002 -0.516 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.628 -7.259 -0.381 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.646 -6.516 2.418 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.608 -6.871 1.017 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.414 -5.340 1.903 1.00 4.69 H new ATOM 759 N CYS A 50 -5.645 -1.384 -0.747 1.00 3.99 N ATOM 760 CA CYS A 50 -4.759 -0.198 -0.843 1.00 3.63 C ATOM 761 C CYS A 50 -3.686 -0.353 0.226 1.00 3.49 C ATOM 762 O CYS A 50 -3.956 -0.813 1.317 1.00 4.14 O ATOM 763 CB CYS A 50 -5.540 1.075 -0.600 1.00 3.72 C ATOM 764 SG CYS A 50 -7.101 1.033 -1.527 1.00 4.64 S ATOM 0 H CYS A 50 -6.478 -1.260 -0.171 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.320 -0.134 -1.839 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.743 1.189 0.465 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -4.949 1.938 -0.906 1.00 3.72 H new ATOM 769 N LEU A 51 -2.473 -0.015 -0.086 1.00 2.91 N ATOM 770 CA LEU A 51 -1.376 -0.191 0.896 1.00 2.96 C ATOM 771 C LEU A 51 -1.044 1.118 1.602 1.00 3.35 C ATOM 772 O LEU A 51 -1.288 2.206 1.103 1.00 3.56 O ATOM 773 CB LEU A 51 -0.133 -0.717 0.189 1.00 2.71 C ATOM 774 CG LEU A 51 -0.458 -1.995 -0.610 1.00 2.56 C ATOM 775 CD1 LEU A 51 0.810 -2.828 -0.753 1.00 2.98 C ATOM 776 CD2 LEU A 51 -1.513 -2.840 0.113 1.00 2.61 C ATOM 0 H LEU A 51 -2.192 0.378 -0.984 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.709 -0.907 1.647 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.260 0.047 -0.482 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.646 -0.929 0.922 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.844 -1.702 -1.586 1.00 2.56 H new ATOM 0 HD11 LEU A 51 0.588 -3.734 -1.317 1.00 2.98 H new ATOM 0 HD12 LEU A 51 1.568 -2.249 -1.280 1.00 2.98 H new ATOM 0 HD13 LEU A 51 1.181 -3.098 0.236 1.00 2.98 H new ATOM 0 HD21 LEU A 51 -1.725 -3.736 -0.471 1.00 2.61 H new ATOM 0 HD22 LEU A 51 -1.138 -3.128 1.095 1.00 2.61 H new ATOM 0 HD23 LEU A 51 -2.428 -2.258 0.230 1.00 2.61 H new ATOM 788 N ASP A 52 -0.479 0.989 2.771 1.00 3.84 N ATOM 789 CA ASP A 52 -0.097 2.167 3.589 1.00 4.35 C ATOM 790 C ASP A 52 1.413 2.417 3.441 1.00 4.47 C ATOM 791 O ASP A 52 2.214 1.564 3.783 1.00 4.73 O ATOM 792 CB ASP A 52 -0.427 1.865 5.058 1.00 4.93 C ATOM 793 CG ASP A 52 -0.596 3.166 5.856 1.00 5.39 C ATOM 794 OD1 ASP A 52 0.157 4.097 5.620 1.00 5.96 O ATOM 795 OD2 ASP A 52 -1.475 3.204 6.699 1.00 5.40 O ATOM 0 H ASP A 52 -0.262 0.090 3.201 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.642 3.051 3.259 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -1.342 1.276 5.116 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.368 1.263 5.498 1.00 4.93 H new ATOM 800 N PRO A 53 1.763 3.588 2.951 1.00 4.54 N ATOM 801 CA PRO A 53 3.177 3.969 2.758 1.00 4.96 C ATOM 802 C PRO A 53 3.886 4.197 4.106 1.00 5.21 C ATOM 803 O PRO A 53 5.091 4.369 4.149 1.00 5.67 O ATOM 804 CB PRO A 53 3.098 5.255 1.928 1.00 5.26 C ATOM 805 CG PRO A 53 1.682 5.828 2.150 1.00 5.04 C ATOM 806 CD PRO A 53 0.795 4.640 2.564 1.00 4.55 C ATOM 0 HA PRO A 53 3.761 3.193 2.264 1.00 4.96 H new ATOM 0 HB2 PRO A 53 3.860 5.968 2.243 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.272 5.048 0.872 1.00 5.26 H new ATOM 0 HG2 PRO A 53 1.690 6.595 2.924 1.00 5.04 H new ATOM 0 HG3 PRO A 53 1.305 6.296 1.241 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.138 4.902 3.393 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.157 4.313 1.743 1.00 4.55 H new ATOM 814 N LYS A 54 3.159 4.182 5.206 1.00 5.18 N ATOM 815 CA LYS A 54 3.801 4.376 6.535 1.00 5.61 C ATOM 816 C LYS A 54 4.775 3.221 6.814 1.00 5.02 C ATOM 817 O LYS A 54 5.733 3.381 7.549 1.00 5.42 O ATOM 818 CB LYS A 54 2.732 4.415 7.635 1.00 6.23 C ATOM 819 CG LYS A 54 2.559 5.853 8.136 1.00 7.12 C ATOM 820 CD LYS A 54 1.717 6.652 7.136 1.00 7.85 C ATOM 821 CE LYS A 54 2.042 8.144 7.264 1.00 8.63 C ATOM 822 NZ LYS A 54 1.133 8.773 8.266 1.00 9.56 N ATOM 0 H LYS A 54 2.149 4.043 5.231 1.00 5.18 H new ATOM 0 HA LYS A 54 4.346 5.320 6.529 1.00 5.61 H new ATOM 0 HB2 LYS A 54 1.785 4.038 7.249 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.022 3.764 8.460 1.00 6.23 H new ATOM 0 HG2 LYS A 54 2.076 5.852 9.113 1.00 7.12 H new ATOM 0 HG3 LYS A 54 3.534 6.324 8.263 1.00 7.12 H new ATOM 0 HD2 LYS A 54 1.920 6.311 6.121 1.00 7.85 H new ATOM 0 HD3 LYS A 54 0.656 6.484 7.322 1.00 7.85 H new ATOM 0 HE2 LYS A 54 3.080 8.275 7.568 1.00 8.63 H new ATOM 0 HE3 LYS A 54 1.929 8.635 6.297 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 1.356 9.785 8.350 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 0.146 8.661 7.958 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 1.262 8.312 9.189 1.00 9.56 H new ATOM 836 N GLU A 55 4.546 2.060 6.232 1.00 4.37 N ATOM 837 CA GLU A 55 5.458 0.916 6.464 1.00 4.14 C ATOM 838 C GLU A 55 6.609 0.971 5.471 1.00 3.84 C ATOM 839 O GLU A 55 6.565 1.679 4.480 1.00 3.83 O ATOM 840 CB GLU A 55 4.706 -0.396 6.246 1.00 4.19 C ATOM 841 CG GLU A 55 3.627 -0.565 7.311 1.00 4.76 C ATOM 842 CD GLU A 55 2.298 -0.010 6.791 1.00 5.39 C ATOM 843 OE1 GLU A 55 1.680 -0.675 5.977 1.00 6.13 O ATOM 844 OE2 GLU A 55 1.924 1.074 7.212 1.00 5.43 O ATOM 0 H GLU A 55 3.762 1.868 5.608 1.00 4.37 H new ATOM 0 HA GLU A 55 5.835 0.970 7.485 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.254 -0.404 5.254 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.402 -1.234 6.286 1.00 4.19 H new ATOM 0 HG2 GLU A 55 3.517 -1.619 7.567 1.00 4.76 H new ATOM 0 HG3 GLU A 55 3.918 -0.044 8.223 1.00 4.76 H new ATOM 851 N ASN A 56 7.620 0.197 5.722 1.00 3.90 N ATOM 852 CA ASN A 56 8.779 0.146 4.797 1.00 3.93 C ATOM 853 C ASN A 56 8.599 -1.025 3.829 1.00 3.74 C ATOM 854 O ASN A 56 9.254 -1.092 2.808 1.00 3.89 O ATOM 855 CB ASN A 56 10.056 -0.040 5.602 1.00 4.29 C ATOM 856 CG ASN A 56 10.950 1.191 5.445 1.00 4.70 C ATOM 857 OD1 ASN A 56 11.928 1.157 4.725 1.00 4.90 O ATOM 858 ND2 ASN A 56 10.654 2.287 6.093 1.00 5.15 N ATOM 0 H ASN A 56 7.694 -0.410 6.538 1.00 3.90 H new ATOM 0 HA ASN A 56 8.843 1.075 4.231 1.00 3.93 H new ATOM 0 HB2 ASN A 56 9.815 -0.194 6.654 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.585 -0.931 5.262 1.00 4.29 H new ATOM 0 HD21 ASN A 56 11.244 3.113 5.994 1.00 5.15 H new ATOM 0 HD22 ASN A 56 9.833 2.316 6.698 1.00 5.15 H new ATOM 865 N TRP A 57 7.710 -1.943 4.139 1.00 3.55 N ATOM 866 CA TRP A 57 7.479 -3.101 3.244 1.00 3.47 C ATOM 867 C TRP A 57 6.572 -2.685 2.092 1.00 3.28 C ATOM 868 O TRP A 57 6.722 -3.148 0.986 1.00 3.48 O ATOM 869 CB TRP A 57 6.852 -4.253 4.039 1.00 3.64 C ATOM 870 CG TRP A 57 5.409 -4.009 4.344 1.00 3.70 C ATOM 871 CD1 TRP A 57 4.946 -3.606 5.535 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.239 -4.161 3.483 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.570 -3.538 5.482 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.087 -3.850 4.238 1.00 3.80 C ATOM 875 CE3 TRP A 57 4.064 -4.535 2.142 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.807 -3.908 3.687 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.780 -4.590 1.581 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.652 -4.278 2.352 1.00 3.38 C ATOM 0 H TRP A 57 7.136 -1.930 4.982 1.00 3.55 H new ATOM 0 HA TRP A 57 8.430 -3.441 2.833 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.950 -5.179 3.472 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.400 -4.390 4.971 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.553 -3.372 6.397 1.00 4.08 H new ATOM 0 HE1 TRP A 57 2.981 -3.285 6.275 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.924 -4.782 1.538 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 0.943 -3.668 4.290 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.659 -4.875 0.546 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.666 -4.324 1.913 1.00 3.38 H new ATOM 889 N VAL A 58 5.630 -1.815 2.347 1.00 3.02 N ATOM 890 CA VAL A 58 4.712 -1.367 1.258 1.00 2.84 C ATOM 891 C VAL A 58 5.526 -0.645 0.176 1.00 2.99 C ATOM 892 O VAL A 58 5.311 -0.852 -1.003 1.00 3.21 O ATOM 893 CB VAL A 58 3.652 -0.423 1.846 1.00 2.78 C ATOM 894 CG1 VAL A 58 2.987 0.400 0.743 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.582 -1.235 2.568 1.00 2.85 C ATOM 0 H VAL A 58 5.457 -1.396 3.261 1.00 3.02 H new ATOM 0 HA VAL A 58 4.213 -2.227 0.812 1.00 2.84 H new ATOM 0 HB VAL A 58 4.147 0.251 2.545 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.240 1.061 1.182 1.00 2.80 H new ATOM 0 HG12 VAL A 58 3.741 0.996 0.229 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.505 -0.269 0.030 1.00 2.80 H new ATOM 0 HG21 VAL A 58 1.832 -0.561 2.983 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.106 -1.917 1.864 1.00 2.85 H new ATOM 0 HG23 VAL A 58 3.042 -1.807 3.374 1.00 2.85 H new ATOM 905 N GLN A 59 6.464 0.189 0.563 1.00 3.12 N ATOM 906 CA GLN A 59 7.286 0.904 -0.452 1.00 3.61 C ATOM 907 C GLN A 59 8.385 -0.027 -0.999 1.00 3.90 C ATOM 908 O GLN A 59 8.868 0.159 -2.101 1.00 4.47 O ATOM 909 CB GLN A 59 7.896 2.160 0.169 1.00 3.82 C ATOM 910 CG GLN A 59 9.021 1.771 1.115 1.00 4.33 C ATOM 911 CD GLN A 59 9.737 3.031 1.618 1.00 4.72 C ATOM 912 OE1 GLN A 59 10.223 3.821 0.831 1.00 4.84 O ATOM 913 NE2 GLN A 59 9.826 3.258 2.901 1.00 5.29 N ATOM 0 H GLN A 59 6.691 0.401 1.535 1.00 3.12 H new ATOM 0 HA GLN A 59 6.649 1.202 -1.285 1.00 3.61 H new ATOM 0 HB2 GLN A 59 8.277 2.816 -0.614 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.131 2.719 0.709 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.621 1.208 1.958 1.00 4.33 H new ATOM 0 HG3 GLN A 59 9.729 1.119 0.604 1.00 4.33 H new ATOM 0 HE21 GLN A 59 9.420 2.599 3.565 1.00 5.29 H new ATOM 0 HE22 GLN A 59 10.301 4.095 3.239 1.00 5.29 H new ATOM 922 N ARG A 60 8.764 -1.040 -0.248 1.00 3.65 N ATOM 923 CA ARG A 60 9.807 -1.993 -0.732 1.00 3.97 C ATOM 924 C ARG A 60 9.139 -3.016 -1.650 1.00 3.96 C ATOM 925 O ARG A 60 9.690 -3.412 -2.660 1.00 4.42 O ATOM 926 CB ARG A 60 10.444 -2.712 0.460 1.00 4.07 C ATOM 927 CG ARG A 60 11.912 -3.025 0.154 1.00 4.60 C ATOM 928 CD ARG A 60 12.691 -3.176 1.465 1.00 4.81 C ATOM 929 NE ARG A 60 12.215 -4.386 2.196 1.00 5.26 N ATOM 930 CZ ARG A 60 12.992 -5.431 2.308 1.00 5.84 C ATOM 931 NH1 ARG A 60 13.187 -6.214 1.278 1.00 6.35 N ATOM 932 NH2 ARG A 60 13.575 -5.694 3.450 1.00 6.25 N ATOM 0 H ARG A 60 8.392 -1.243 0.680 1.00 3.65 H new ATOM 0 HA ARG A 60 10.583 -1.452 -1.274 1.00 3.97 H new ATOM 0 HB2 ARG A 60 10.374 -2.089 1.352 1.00 4.07 H new ATOM 0 HB3 ARG A 60 9.903 -3.634 0.672 1.00 4.07 H new ATOM 0 HG2 ARG A 60 11.984 -3.942 -0.431 1.00 4.60 H new ATOM 0 HG3 ARG A 60 12.346 -2.227 -0.449 1.00 4.60 H new ATOM 0 HD2 ARG A 60 13.758 -3.261 1.258 1.00 4.81 H new ATOM 0 HD3 ARG A 60 12.556 -2.289 2.084 1.00 4.81 H new ATOM 0 HE ARG A 60 11.282 -4.398 2.609 1.00 5.26 H new ATOM 0 HH11 ARG A 60 12.733 -6.009 0.388 1.00 6.35 H new ATOM 0 HH12 ARG A 60 13.793 -7.030 1.365 1.00 6.35 H new ATOM 0 HH21 ARG A 60 13.423 -5.083 4.253 1.00 6.25 H new ATOM 0 HH22 ARG A 60 14.181 -6.510 3.537 1.00 6.25 H new ATOM 946 N VAL A 61 7.942 -3.431 -1.306 1.00 3.58 N ATOM 947 CA VAL A 61 7.205 -4.412 -2.151 1.00 3.55 C ATOM 948 C VAL A 61 6.879 -3.756 -3.500 1.00 3.25 C ATOM 949 O VAL A 61 6.993 -4.376 -4.542 1.00 3.52 O ATOM 950 CB VAL A 61 5.916 -4.822 -1.420 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.948 -5.506 -2.381 1.00 3.56 C ATOM 952 CG2 VAL A 61 6.268 -5.789 -0.285 1.00 4.31 C ATOM 0 H VAL A 61 7.445 -3.127 -0.469 1.00 3.58 H new ATOM 0 HA VAL A 61 7.809 -5.302 -2.329 1.00 3.55 H new ATOM 0 HB VAL A 61 5.439 -3.928 -1.019 1.00 3.59 H new ATOM 0 HG11 VAL A 61 4.042 -5.789 -1.845 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.693 -4.821 -3.189 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.417 -6.398 -2.796 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.358 -6.084 0.237 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.752 -6.674 -0.698 1.00 4.31 H new ATOM 0 HG23 VAL A 61 6.945 -5.298 0.414 1.00 4.31 H new ATOM 962 N VAL A 62 6.495 -2.501 -3.485 1.00 2.99 N ATOM 963 CA VAL A 62 6.184 -1.786 -4.760 1.00 3.22 C ATOM 964 C VAL A 62 7.470 -1.670 -5.592 1.00 3.80 C ATOM 965 O VAL A 62 7.460 -1.892 -6.789 1.00 4.15 O ATOM 966 CB VAL A 62 5.637 -0.384 -4.445 1.00 3.53 C ATOM 967 CG1 VAL A 62 5.517 0.436 -5.733 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.253 -0.508 -3.800 1.00 3.34 C ATOM 0 H VAL A 62 6.384 -1.941 -2.640 1.00 2.99 H new ATOM 0 HA VAL A 62 5.433 -2.340 -5.323 1.00 3.22 H new ATOM 0 HB VAL A 62 6.322 0.117 -3.761 1.00 3.53 H new ATOM 0 HG11 VAL A 62 5.129 1.427 -5.498 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.499 0.531 -6.196 1.00 4.40 H new ATOM 0 HG13 VAL A 62 4.838 -0.066 -6.422 1.00 4.40 H new ATOM 0 HG21 VAL A 62 3.865 0.486 -3.577 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.576 -1.016 -4.487 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.332 -1.082 -2.877 1.00 3.34 H new ATOM 978 N GLU A 63 8.577 -1.331 -4.963 1.00 4.04 N ATOM 979 CA GLU A 63 9.864 -1.210 -5.707 1.00 4.68 C ATOM 980 C GLU A 63 10.221 -2.559 -6.340 1.00 4.70 C ATOM 981 O GLU A 63 10.534 -2.633 -7.511 1.00 5.23 O ATOM 982 CB GLU A 63 10.983 -0.787 -4.746 1.00 5.11 C ATOM 983 CG GLU A 63 12.061 -0.015 -5.517 1.00 5.73 C ATOM 984 CD GLU A 63 13.189 -0.970 -5.925 1.00 6.00 C ATOM 985 OE1 GLU A 63 14.036 -1.247 -5.090 1.00 6.46 O ATOM 986 OE2 GLU A 63 13.191 -1.407 -7.064 1.00 6.04 O ATOM 0 H GLU A 63 8.637 -1.134 -3.964 1.00 4.04 H new ATOM 0 HA GLU A 63 9.755 -0.458 -6.488 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.576 -0.164 -3.949 1.00 5.11 H new ATOM 0 HB3 GLU A 63 11.420 -1.666 -4.272 1.00 5.11 H new ATOM 0 HG2 GLU A 63 11.626 0.449 -6.402 1.00 5.73 H new ATOM 0 HG3 GLU A 63 12.459 0.789 -4.898 1.00 5.73 H new ATOM 993 N LYS A 64 10.173 -3.626 -5.573 1.00 4.35 N ATOM 994 CA LYS A 64 10.502 -4.973 -6.124 1.00 4.71 C ATOM 995 C LYS A 64 9.542 -5.324 -7.272 1.00 4.54 C ATOM 996 O LYS A 64 9.909 -6.019 -8.201 1.00 5.00 O ATOM 997 CB LYS A 64 10.375 -6.017 -5.012 1.00 4.74 C ATOM 998 CG LYS A 64 11.348 -7.170 -5.271 1.00 5.62 C ATOM 999 CD LYS A 64 11.811 -7.757 -3.936 1.00 6.24 C ATOM 1000 CE LYS A 64 13.003 -6.953 -3.408 1.00 7.07 C ATOM 1001 NZ LYS A 64 13.192 -7.235 -1.957 1.00 7.79 N ATOM 0 H LYS A 64 9.918 -3.616 -4.585 1.00 4.35 H new ATOM 0 HA LYS A 64 11.522 -4.965 -6.508 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.587 -5.560 -4.045 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.353 -6.394 -4.969 1.00 4.74 H new ATOM 0 HG2 LYS A 64 10.864 -7.941 -5.871 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.206 -6.814 -5.841 1.00 5.62 H new ATOM 0 HD2 LYS A 64 10.995 -7.733 -3.214 1.00 6.24 H new ATOM 0 HD3 LYS A 64 12.092 -8.802 -4.065 1.00 6.24 H new ATOM 0 HE2 LYS A 64 13.905 -7.216 -3.960 1.00 7.07 H new ATOM 0 HE3 LYS A 64 12.833 -5.887 -3.563 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 14.002 -6.689 -1.600 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 12.334 -6.963 -1.436 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 13.373 -8.250 -1.821 1.00 7.79 H new ATOM 1015 N PHE A 65 8.320 -4.843 -7.215 1.00 4.02 N ATOM 1016 CA PHE A 65 7.331 -5.134 -8.294 1.00 3.99 C ATOM 1017 C PHE A 65 7.787 -4.477 -9.605 1.00 4.72 C ATOM 1018 O PHE A 65 7.778 -5.098 -10.651 1.00 5.31 O ATOM 1019 CB PHE A 65 5.973 -4.563 -7.875 1.00 3.16 C ATOM 1020 CG PHE A 65 4.849 -5.301 -8.575 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.713 -6.688 -8.426 1.00 2.97 C ATOM 1022 CD2 PHE A 65 3.938 -4.592 -9.369 1.00 3.45 C ATOM 1023 CE1 PHE A 65 3.668 -7.363 -9.070 1.00 3.10 C ATOM 1024 CE2 PHE A 65 2.896 -5.268 -10.012 1.00 3.48 C ATOM 1025 CZ PHE A 65 2.761 -6.652 -9.863 1.00 3.19 C ATOM 0 H PHE A 65 7.967 -4.257 -6.459 1.00 4.02 H new ATOM 0 HA PHE A 65 7.252 -6.210 -8.448 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.854 -4.647 -6.795 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.927 -3.502 -8.119 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.414 -7.237 -7.814 1.00 2.97 H new ATOM 0 HD2 PHE A 65 4.040 -3.523 -9.485 1.00 3.45 H new ATOM 0 HE1 PHE A 65 3.563 -8.432 -8.954 1.00 3.10 H new ATOM 0 HE2 PHE A 65 2.195 -4.721 -10.624 1.00 3.48 H new ATOM 0 HZ PHE A 65 1.956 -7.172 -10.361 1.00 3.19 H new ATOM 1035 N LEU A 66 8.190 -3.228 -9.555 1.00 4.92 N ATOM 1036 CA LEU A 66 8.652 -2.533 -10.798 1.00 5.86 C ATOM 1037 C LEU A 66 10.129 -2.864 -11.048 1.00 6.61 C ATOM 1038 O LEU A 66 10.467 -3.511 -12.022 1.00 7.33 O ATOM 1039 CB LEU A 66 8.479 -1.016 -10.640 1.00 6.18 C ATOM 1040 CG LEU A 66 6.989 -0.673 -10.532 1.00 7.14 C ATOM 1041 CD1 LEU A 66 6.818 0.613 -9.720 1.00 7.61 C ATOM 1042 CD2 LEU A 66 6.407 -0.471 -11.935 1.00 7.67 C ATOM 0 H LEU A 66 8.218 -2.661 -8.707 1.00 4.92 H new ATOM 0 HA LEU A 66 8.056 -2.872 -11.645 1.00 5.86 H new ATOM 0 HB2 LEU A 66 9.007 -0.671 -9.751 1.00 6.18 H new ATOM 0 HB3 LEU A 66 8.920 -0.499 -11.493 1.00 6.18 H new ATOM 0 HG LEU A 66 6.465 -1.489 -10.035 1.00 7.14 H new ATOM 0 HD11 LEU A 66 5.758 0.857 -9.643 1.00 7.61 H new ATOM 0 HD12 LEU A 66 7.231 0.470 -8.721 1.00 7.61 H new ATOM 0 HD13 LEU A 66 7.343 1.429 -10.216 1.00 7.61 H new ATOM 0 HD21 LEU A 66 5.347 -0.227 -11.858 1.00 7.67 H new ATOM 0 HD22 LEU A 66 6.932 0.345 -12.433 1.00 7.67 H new ATOM 0 HD23 LEU A 66 6.527 -1.387 -12.514 1.00 7.67 H new ATOM 1054 N LYS A 67 11.004 -2.431 -10.166 1.00 6.57 N ATOM 1055 CA LYS A 67 12.471 -2.713 -10.316 1.00 7.47 C ATOM 1056 C LYS A 67 13.017 -2.092 -11.618 1.00 7.85 C ATOM 1057 O LYS A 67 13.874 -2.660 -12.272 1.00 8.14 O ATOM 1058 CB LYS A 67 12.708 -4.233 -10.320 1.00 7.84 C ATOM 1059 CG LYS A 67 13.086 -4.701 -8.910 1.00 8.78 C ATOM 1060 CD LYS A 67 14.603 -4.601 -8.724 1.00 9.42 C ATOM 1061 CE LYS A 67 14.946 -4.686 -7.234 1.00 10.12 C ATOM 1062 NZ LYS A 67 14.974 -6.115 -6.805 1.00 10.40 N ATOM 0 H LYS A 67 10.760 -1.887 -9.338 1.00 6.57 H new ATOM 0 HA LYS A 67 12.999 -2.265 -9.475 1.00 7.47 H new ATOM 0 HB2 LYS A 67 11.809 -4.750 -10.656 1.00 7.84 H new ATOM 0 HB3 LYS A 67 13.502 -4.485 -11.022 1.00 7.84 H new ATOM 0 HG2 LYS A 67 12.577 -4.090 -8.165 1.00 8.78 H new ATOM 0 HG3 LYS A 67 12.758 -5.729 -8.757 1.00 8.78 H new ATOM 0 HD2 LYS A 67 15.100 -5.404 -9.268 1.00 9.42 H new ATOM 0 HD3 LYS A 67 14.969 -3.662 -9.138 1.00 9.42 H new ATOM 0 HE2 LYS A 67 15.914 -4.221 -7.047 1.00 10.12 H new ATOM 0 HE3 LYS A 67 14.209 -4.135 -6.649 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 15.207 -6.169 -5.793 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 14.041 -6.545 -6.969 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 15.693 -6.628 -7.354 1.00 10.40 H new ATOM 1076 N ARG A 68 12.544 -0.923 -11.988 1.00 8.12 N ATOM 1077 CA ARG A 68 13.050 -0.261 -13.236 1.00 8.78 C ATOM 1078 C ARG A 68 12.531 1.179 -13.319 1.00 8.99 C ATOM 1079 O ARG A 68 11.744 1.617 -12.501 1.00 8.81 O ATOM 1080 CB ARG A 68 12.593 -1.040 -14.479 1.00 9.33 C ATOM 1081 CG ARG A 68 11.082 -1.301 -14.419 1.00 9.61 C ATOM 1082 CD ARG A 68 10.531 -1.459 -15.840 1.00 10.05 C ATOM 1083 NE ARG A 68 11.169 -2.637 -16.498 1.00 10.53 N ATOM 1084 CZ ARG A 68 11.672 -2.524 -17.701 1.00 10.90 C ATOM 1085 NH1 ARG A 68 12.840 -1.959 -17.872 1.00 11.35 N ATOM 1086 NH2 ARG A 68 11.006 -2.979 -18.731 1.00 11.02 N ATOM 0 H ARG A 68 11.831 -0.400 -11.481 1.00 8.12 H new ATOM 0 HA ARG A 68 14.139 -0.251 -13.201 1.00 8.78 H new ATOM 0 HB2 ARG A 68 12.836 -0.476 -15.380 1.00 9.33 H new ATOM 0 HB3 ARG A 68 13.130 -1.986 -14.541 1.00 9.33 H new ATOM 0 HG2 ARG A 68 10.881 -2.201 -13.838 1.00 9.61 H new ATOM 0 HG3 ARG A 68 10.580 -0.476 -13.913 1.00 9.61 H new ATOM 0 HD2 ARG A 68 9.449 -1.589 -15.809 1.00 10.05 H new ATOM 0 HD3 ARG A 68 10.727 -0.556 -16.419 1.00 10.05 H new ATOM 0 HE ARG A 68 11.213 -3.531 -16.009 1.00 10.53 H new ATOM 0 HH11 ARG A 68 13.359 -1.607 -17.068 1.00 11.35 H new ATOM 0 HH12 ARG A 68 13.232 -1.871 -18.810 1.00 11.35 H new ATOM 0 HH21 ARG A 68 10.097 -3.421 -18.596 1.00 11.02 H new ATOM 0 HH22 ARG A 68 11.396 -2.892 -19.669 1.00 11.02 H new ATOM 1100 N ALA A 69 12.970 1.914 -14.312 1.00 9.61 N ATOM 1101 CA ALA A 69 12.513 3.328 -14.469 1.00 10.14 C ATOM 1102 C ALA A 69 11.382 3.385 -15.500 1.00 10.89 C ATOM 1103 O ALA A 69 11.539 2.956 -16.630 1.00 11.20 O ATOM 1104 CB ALA A 69 13.681 4.196 -14.944 1.00 10.08 C ATOM 0 H ALA A 69 13.628 1.593 -15.022 1.00 9.61 H new ATOM 0 HA ALA A 69 12.153 3.701 -13.510 1.00 10.14 H new ATOM 0 HB1 ALA A 69 13.345 5.227 -15.058 1.00 10.08 H new ATOM 0 HB2 ALA A 69 14.486 4.155 -14.211 1.00 10.08 H new ATOM 0 HB3 ALA A 69 14.044 3.825 -15.902 1.00 10.08 H new ATOM 1110 N GLU A 70 10.242 3.909 -15.118 1.00 11.37 N ATOM 1111 CA GLU A 70 9.090 3.995 -16.069 1.00 12.24 C ATOM 1112 C GLU A 70 8.485 5.404 -16.022 1.00 12.45 C ATOM 1113 O GLU A 70 8.380 6.068 -17.037 1.00 12.32 O ATOM 1114 CB GLU A 70 8.030 2.958 -15.682 1.00 12.79 C ATOM 1115 CG GLU A 70 8.579 1.551 -15.941 1.00 12.48 C ATOM 1116 CD GLU A 70 7.421 0.552 -16.041 1.00 13.18 C ATOM 1117 OE1 GLU A 70 6.803 0.494 -17.092 1.00 13.63 O ATOM 1118 OE2 GLU A 70 7.177 -0.140 -15.067 1.00 13.39 O ATOM 0 H GLU A 70 10.060 4.282 -14.186 1.00 11.37 H new ATOM 0 HA GLU A 70 9.438 3.792 -17.082 1.00 12.24 H new ATOM 0 HB2 GLU A 70 7.763 3.069 -14.631 1.00 12.79 H new ATOM 0 HB3 GLU A 70 7.120 3.118 -16.260 1.00 12.79 H new ATOM 0 HG2 GLU A 70 9.160 1.542 -16.863 1.00 12.48 H new ATOM 0 HG3 GLU A 70 9.254 1.260 -15.136 1.00 12.48 H new ATOM 1125 N ASN A 71 8.092 5.864 -14.848 1.00 12.96 N ATOM 1126 CA ASN A 71 7.494 7.234 -14.710 1.00 13.39 C ATOM 1127 C ASN A 71 6.108 7.283 -15.374 1.00 13.77 C ATOM 1128 O ASN A 71 5.741 6.409 -16.139 1.00 13.98 O ATOM 1129 CB ASN A 71 8.413 8.277 -15.364 1.00 13.14 C ATOM 1130 CG ASN A 71 8.312 9.602 -14.603 1.00 12.70 C ATOM 1131 OD1 ASN A 71 7.603 10.500 -15.015 1.00 12.77 O ATOM 1132 ND2 ASN A 71 8.993 9.765 -13.501 1.00 12.41 N ATOM 0 H ASN A 71 8.162 5.341 -13.975 1.00 12.96 H new ATOM 0 HA ASN A 71 7.388 7.460 -13.649 1.00 13.39 H new ATOM 0 HB2 ASN A 71 9.443 7.922 -15.360 1.00 13.14 H new ATOM 0 HB3 ASN A 71 8.130 8.423 -16.407 1.00 13.14 H new ATOM 0 HD21 ASN A 71 8.930 10.644 -12.988 1.00 12.41 H new ATOM 0 HD22 ASN A 71 9.588 9.013 -13.153 1.00 12.41 H new ATOM 1139 N SER A 72 5.341 8.306 -15.083 1.00 14.02 N ATOM 1140 CA SER A 72 3.979 8.432 -15.688 1.00 14.59 C ATOM 1141 C SER A 72 3.947 9.641 -16.634 1.00 15.09 C ATOM 1142 O SER A 72 4.231 10.739 -16.181 1.00 15.38 O ATOM 1143 CB SER A 72 2.944 8.620 -14.575 1.00 14.66 C ATOM 1144 OG SER A 72 2.871 7.434 -13.796 1.00 14.60 O ATOM 1145 OXT SER A 72 3.642 9.445 -17.799 1.00 15.30 O ATOM 0 H SER A 72 5.602 9.062 -14.450 1.00 14.02 H new ATOM 0 HA SER A 72 3.745 7.529 -16.251 1.00 14.59 H new ATOM 0 HB2 SER A 72 3.220 9.466 -13.945 1.00 14.66 H new ATOM 0 HB3 SER A 72 1.968 8.847 -15.005 1.00 14.66 H new ATOM 0 HG SER A 72 2.211 7.552 -13.082 1.00 14.60 H new TER 1151 SER A 72