USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot 102:sc= 1.21 USER MOD Set 1.2: A 6 TYR OH : rot -15:sc= 1.02 USER MOD Single : A 2 SER OG : rot 40:sc= 0.149 USER MOD Single : A 7 SER OG : rot 180:sc=-0.00213 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -177:sc=-0.00482 (180deg=-0.0128) USER MOD Single : A 15 CYS SG : rot 22:sc= 0.606 USER MOD Single : A 18 CYS SG : rot -170:sc= -0.291 USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= -0.0175 (180deg=-0.168) USER MOD Single : A 24 ASN : amide:sc= 0.451 K(o=0.45,f=-1.6) USER MOD Single : A 28 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.18) USER MOD Single : A 33 ASN : amide:sc= 0.0692 K(o=0.069,f=-4.4!) USER MOD Single : A 34 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.15) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.49) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 1.28 K(o=1.3,f=-0.13) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= -0.0202 (180deg=-0.217) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0251 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 71 GLN : amide:sc= 0.757 K(o=0.76,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -7.570 9.580 -15.912 1.00 2.73 N ATOM 2 CA SER A 2 -7.308 8.887 -14.657 1.00 2.88 C ATOM 3 C SER A 2 -6.359 7.716 -14.908 1.00 1.61 C ATOM 4 O SER A 2 -6.309 7.206 -16.028 1.00 2.08 O ATOM 5 CB SER A 2 -8.633 8.377 -14.084 1.00 4.25 C ATOM 6 OG SER A 2 -9.538 9.455 -13.933 1.00 5.43 O ATOM 0 HA SER A 2 -6.844 9.569 -13.945 1.00 2.88 H new ATOM 0 HB2 SER A 2 -9.059 7.623 -14.745 1.00 4.25 H new ATOM 0 HB3 SER A 2 -8.462 7.896 -13.121 1.00 4.25 H new ATOM 0 HG SER A 2 -9.461 10.057 -14.703 1.00 5.43 H new ATOM 12 N GLY A 3 -5.644 7.298 -13.862 1.00 1.31 N ATOM 13 CA GLY A 3 -4.724 6.172 -13.895 1.00 1.03 C ATOM 14 C GLY A 3 -5.466 4.871 -13.635 1.00 0.79 C ATOM 15 O GLY A 3 -6.655 4.767 -13.944 1.00 0.88 O ATOM 0 H GLY A 3 -5.694 7.748 -12.948 1.00 1.31 H new ATOM 0 HA2 GLY A 3 -4.229 6.128 -14.865 1.00 1.03 H new ATOM 0 HA3 GLY A 3 -3.945 6.309 -13.145 1.00 1.03 H new ATOM 19 N THR A 4 -4.788 3.898 -13.021 1.00 0.77 N ATOM 20 CA THR A 4 -5.428 2.665 -12.588 1.00 0.54 C ATOM 21 C THR A 4 -5.401 2.592 -11.067 1.00 0.49 C ATOM 22 O THR A 4 -4.577 3.225 -10.408 1.00 0.56 O ATOM 23 CB THR A 4 -4.773 1.418 -13.204 1.00 0.58 C ATOM 24 OG1 THR A 4 -3.781 1.743 -14.156 1.00 1.13 O ATOM 25 CG2 THR A 4 -5.796 0.481 -13.849 1.00 1.15 C ATOM 0 H THR A 4 -3.790 3.946 -12.814 1.00 0.77 H new ATOM 0 HA THR A 4 -6.460 2.679 -12.939 1.00 0.54 H new ATOM 0 HB THR A 4 -4.301 0.902 -12.368 1.00 0.58 H new ATOM 0 HG1 THR A 4 -2.894 1.645 -13.751 1.00 1.13 H new ATOM 0 HG21 THR A 4 -5.283 -0.384 -14.269 1.00 1.15 H new ATOM 0 HG22 THR A 4 -6.510 0.149 -13.096 1.00 1.15 H new ATOM 0 HG23 THR A 4 -6.325 1.010 -14.642 1.00 1.15 H new ATOM 33 N ARG A 5 -6.309 1.780 -10.536 1.00 0.44 N ATOM 34 CA ARG A 5 -6.432 1.485 -9.128 1.00 0.43 C ATOM 35 C ARG A 5 -5.759 0.146 -8.868 1.00 0.42 C ATOM 36 O ARG A 5 -5.851 -0.754 -9.701 1.00 0.77 O ATOM 37 CB ARG A 5 -7.917 1.378 -8.805 1.00 0.59 C ATOM 38 CG ARG A 5 -8.146 1.267 -7.298 1.00 0.61 C ATOM 39 CD ARG A 5 -9.324 0.340 -7.021 1.00 1.16 C ATOM 40 NE ARG A 5 -8.995 -1.084 -7.217 1.00 3.34 N ATOM 41 CZ ARG A 5 -9.830 -2.096 -6.936 1.00 4.48 C ATOM 42 NH1 ARG A 5 -11.076 -1.829 -6.529 1.00 3.79 N ATOM 43 NH2 ARG A 5 -9.428 -3.361 -7.084 1.00 6.68 N ATOM 0 H ARG A 5 -7.003 1.294 -11.104 1.00 0.44 H new ATOM 0 HA ARG A 5 -5.969 2.258 -8.515 1.00 0.43 H new ATOM 0 HB2 ARG A 5 -8.440 2.252 -9.192 1.00 0.59 H new ATOM 0 HB3 ARG A 5 -8.339 0.506 -9.305 1.00 0.59 H new ATOM 0 HG2 ARG A 5 -7.249 0.885 -6.812 1.00 0.61 H new ATOM 0 HG3 ARG A 5 -8.341 2.253 -6.877 1.00 0.61 H new ATOM 0 HD2 ARG A 5 -9.665 0.491 -5.997 1.00 1.16 H new ATOM 0 HD3 ARG A 5 -10.153 0.609 -7.676 1.00 1.16 H new ATOM 0 HE ARG A 5 -8.074 -1.314 -7.590 1.00 3.34 H new ATOM 0 HH11 ARG A 5 -11.385 -0.862 -6.434 1.00 3.79 H new ATOM 0 HH12 ARG A 5 -11.717 -2.593 -6.313 1.00 3.79 H new ATOM 0 HH21 ARG A 5 -8.483 -3.561 -7.412 1.00 6.68 H new ATOM 0 HH22 ARG A 5 -10.066 -4.127 -6.869 1.00 6.68 H new ATOM 57 N TYR A 6 -5.118 0.009 -7.711 1.00 0.26 N ATOM 58 CA TYR A 6 -4.488 -1.213 -7.259 1.00 0.26 C ATOM 59 C TYR A 6 -4.904 -1.474 -5.817 1.00 0.28 C ATOM 60 O TYR A 6 -4.750 -0.580 -4.993 1.00 0.36 O ATOM 61 CB TYR A 6 -2.981 -1.086 -7.468 1.00 0.31 C ATOM 62 CG TYR A 6 -2.582 -0.653 -8.861 1.00 0.35 C ATOM 63 CD1 TYR A 6 -2.976 -1.438 -9.959 1.00 1.91 C ATOM 64 CD2 TYR A 6 -1.988 0.600 -9.082 1.00 1.89 C ATOM 65 CE1 TYR A 6 -2.728 -1.008 -11.268 1.00 1.99 C ATOM 66 CE2 TYR A 6 -1.746 1.025 -10.398 1.00 1.84 C ATOM 67 CZ TYR A 6 -2.028 0.189 -11.484 1.00 0.59 C ATOM 68 OH TYR A 6 -1.805 0.643 -12.750 1.00 0.78 O ATOM 0 H TYR A 6 -5.023 0.776 -7.045 1.00 0.26 H new ATOM 0 HA TYR A 6 -4.809 -2.083 -7.831 1.00 0.26 H new ATOM 0 HB2 TYR A 6 -2.585 -0.368 -6.749 1.00 0.31 H new ATOM 0 HB3 TYR A 6 -2.513 -2.046 -7.250 1.00 0.31 H new ATOM 0 HD1 TYR A 6 -3.474 -2.381 -9.791 1.00 1.91 H new ATOM 0 HD2 TYR A 6 -1.720 1.231 -8.247 1.00 1.89 H new ATOM 0 HE1 TYR A 6 -3.073 -1.594 -12.107 1.00 1.99 H new ATOM 0 HE2 TYR A 6 -1.337 2.009 -10.574 1.00 1.84 H new ATOM 0 HH TYR A 6 -1.975 -0.078 -13.391 1.00 0.78 H new ATOM 78 N SER A 7 -5.456 -2.661 -5.525 1.00 0.35 N ATOM 79 CA SER A 7 -5.764 -3.110 -4.168 1.00 0.36 C ATOM 80 C SER A 7 -4.659 -4.059 -3.685 1.00 0.37 C ATOM 81 O SER A 7 -3.964 -4.665 -4.503 1.00 0.43 O ATOM 82 CB SER A 7 -7.144 -3.786 -4.121 1.00 0.35 C ATOM 83 OG SER A 7 -8.182 -2.860 -4.380 1.00 1.96 O ATOM 0 H SER A 7 -5.703 -3.344 -6.241 1.00 0.35 H new ATOM 0 HA SER A 7 -5.802 -2.249 -3.500 1.00 0.36 H new ATOM 0 HB2 SER A 7 -7.181 -4.591 -4.855 1.00 0.35 H new ATOM 0 HB3 SER A 7 -7.295 -4.240 -3.142 1.00 0.35 H new ATOM 0 HG SER A 7 -9.047 -3.320 -4.345 1.00 1.96 H new ATOM 89 N TRP A 8 -4.500 -4.192 -2.364 1.00 0.34 N ATOM 90 CA TRP A 8 -3.707 -5.222 -1.706 1.00 0.36 C ATOM 91 C TRP A 8 -4.460 -5.693 -0.463 1.00 0.38 C ATOM 92 O TRP A 8 -5.299 -4.954 0.060 1.00 0.43 O ATOM 93 CB TRP A 8 -2.373 -4.668 -1.228 1.00 0.46 C ATOM 94 CG TRP A 8 -1.420 -4.067 -2.203 1.00 0.50 C ATOM 95 CD1 TRP A 8 -0.271 -4.613 -2.612 1.00 0.62 C ATOM 96 CD2 TRP A 8 -1.480 -2.813 -2.916 1.00 0.55 C ATOM 97 NE1 TRP A 8 0.497 -3.601 -3.186 1.00 0.91 N ATOM 98 CE2 TRP A 8 -0.144 -2.363 -3.099 1.00 0.93 C ATOM 99 CE3 TRP A 8 -2.241 -2.417 -4.033 1.00 0.77 C ATOM 100 CZ2 TRP A 8 -0.015 -1.167 -3.847 1.00 1.11 C ATOM 101 CZ3 TRP A 8 -1.487 -2.257 -5.239 1.00 0.73 C ATOM 102 CH2 TRP A 8 -0.461 -1.318 -5.151 1.00 0.49 C ATOM 0 H TRP A 8 -4.941 -3.555 -1.701 1.00 0.34 H new ATOM 0 HA TRP A 8 -3.538 -6.028 -2.420 1.00 0.36 H new ATOM 0 HB2 TRP A 8 -2.589 -3.909 -0.476 1.00 0.46 H new ATOM 0 HB3 TRP A 8 -1.849 -5.478 -0.721 1.00 0.46 H new ATOM 0 HD1 TRP A 8 0.012 -5.651 -2.515 1.00 0.62 H new ATOM 0 HE1 TRP A 8 1.411 -3.746 -3.615 1.00 0.91 H new ATOM 0 HE3 TRP A 8 -3.307 -2.248 -3.984 1.00 0.77 H new ATOM 0 HZ2 TRP A 8 0.384 -0.246 -3.448 1.00 1.11 H new ATOM 0 HZ3 TRP A 8 -1.695 -2.816 -6.139 1.00 0.73 H new ATOM 0 HH2 TRP A 8 -0.062 -0.775 -5.995 1.00 0.49 H new ATOM 113 N LYS A 9 -4.102 -6.878 0.041 1.00 0.37 N ATOM 114 CA LYS A 9 -4.516 -7.367 1.347 1.00 0.35 C ATOM 115 C LYS A 9 -3.244 -7.465 2.180 1.00 0.42 C ATOM 116 O LYS A 9 -2.310 -8.128 1.728 1.00 0.69 O ATOM 117 CB LYS A 9 -5.141 -8.761 1.205 1.00 0.42 C ATOM 118 CG LYS A 9 -6.432 -8.762 0.377 1.00 1.72 C ATOM 119 CD LYS A 9 -6.220 -9.326 -1.033 1.00 1.55 C ATOM 120 CE LYS A 9 -5.991 -10.848 -1.053 1.00 1.49 C ATOM 121 NZ LYS A 9 -6.032 -11.387 -2.431 1.00 2.30 N ATOM 0 H LYS A 9 -3.504 -7.533 -0.463 1.00 0.37 H new ATOM 0 HA LYS A 9 -5.253 -6.708 1.806 1.00 0.35 H new ATOM 0 HB2 LYS A 9 -4.418 -9.431 0.740 1.00 0.42 H new ATOM 0 HB3 LYS A 9 -5.353 -9.160 2.197 1.00 0.42 H new ATOM 0 HG2 LYS A 9 -7.190 -9.352 0.892 1.00 1.72 H new ATOM 0 HG3 LYS A 9 -6.815 -7.744 0.305 1.00 1.72 H new ATOM 0 HD2 LYS A 9 -7.089 -9.089 -1.646 1.00 1.55 H new ATOM 0 HD3 LYS A 9 -5.363 -8.831 -1.490 1.00 1.55 H new ATOM 0 HE2 LYS A 9 -5.026 -11.077 -0.601 1.00 1.49 H new ATOM 0 HE3 LYS A 9 -6.752 -11.339 -0.447 1.00 1.49 H new ATOM 0 HZ1 LYS A 9 -5.874 -12.415 -2.407 1.00 2.30 H new ATOM 0 HZ2 LYS A 9 -6.962 -11.190 -2.853 1.00 2.30 H new ATOM 0 HZ3 LYS A 9 -5.289 -10.936 -3.002 1.00 2.30 H new ATOM 135 N VAL A 10 -3.193 -6.794 3.335 1.00 0.35 N ATOM 136 CA VAL A 10 -2.067 -6.787 4.256 1.00 0.44 C ATOM 137 C VAL A 10 -2.434 -7.580 5.526 1.00 0.58 C ATOM 138 O VAL A 10 -3.574 -8.017 5.667 1.00 1.23 O ATOM 139 CB VAL A 10 -1.701 -5.318 4.559 1.00 0.48 C ATOM 140 CG1 VAL A 10 -0.237 -5.204 4.977 1.00 0.61 C ATOM 141 CG2 VAL A 10 -1.908 -4.380 3.360 1.00 0.42 C ATOM 0 H VAL A 10 -3.970 -6.219 3.661 1.00 0.35 H new ATOM 0 HA VAL A 10 -1.194 -7.274 3.820 1.00 0.44 H new ATOM 0 HB VAL A 10 -2.372 -5.014 5.362 1.00 0.48 H new ATOM 0 HG11 VAL A 10 0.002 -4.161 5.186 1.00 0.61 H new ATOM 0 HG12 VAL A 10 -0.067 -5.802 5.872 1.00 0.61 H new ATOM 0 HG13 VAL A 10 0.401 -5.567 4.171 1.00 0.61 H new ATOM 0 HG21 VAL A 10 -1.632 -3.364 3.641 1.00 0.42 H new ATOM 0 HG22 VAL A 10 -1.284 -4.709 2.529 1.00 0.42 H new ATOM 0 HG23 VAL A 10 -2.955 -4.401 3.058 1.00 0.42 H new ATOM 151 N SER A 11 -1.482 -7.776 6.448 1.00 0.29 N ATOM 152 CA SER A 11 -1.728 -8.314 7.786 1.00 0.36 C ATOM 153 C SER A 11 -0.702 -7.720 8.765 1.00 0.46 C ATOM 154 O SER A 11 0.471 -8.082 8.681 1.00 0.61 O ATOM 155 CB SER A 11 -1.654 -9.853 7.749 1.00 0.48 C ATOM 156 OG SER A 11 -2.627 -10.435 8.600 1.00 0.99 O ATOM 0 H SER A 11 -0.500 -7.559 6.278 1.00 0.29 H new ATOM 0 HA SER A 11 -2.726 -8.038 8.127 1.00 0.36 H new ATOM 0 HB2 SER A 11 -1.805 -10.202 6.728 1.00 0.48 H new ATOM 0 HB3 SER A 11 -0.659 -10.179 8.053 1.00 0.48 H new ATOM 0 HG SER A 11 -2.558 -11.412 8.555 1.00 0.99 H new ATOM 162 N GLY A 12 -1.110 -6.833 9.684 1.00 0.53 N ATOM 163 CA GLY A 12 -0.280 -6.412 10.816 1.00 0.72 C ATOM 164 C GLY A 12 -0.468 -4.939 11.188 1.00 0.75 C ATOM 165 O GLY A 12 -0.395 -4.564 12.358 1.00 0.98 O ATOM 0 H GLY A 12 -2.027 -6.388 9.661 1.00 0.53 H new ATOM 0 HA2 GLY A 12 -0.516 -7.031 11.681 1.00 0.72 H new ATOM 0 HA3 GLY A 12 0.768 -6.588 10.575 1.00 0.72 H new ATOM 169 N MET A 13 -0.643 -4.090 10.179 1.00 0.67 N ATOM 170 CA MET A 13 -0.813 -2.653 10.338 1.00 0.73 C ATOM 171 C MET A 13 -2.163 -2.321 10.990 1.00 0.70 C ATOM 172 O MET A 13 -3.090 -1.995 10.263 1.00 1.10 O ATOM 173 CB MET A 13 -0.688 -1.960 8.962 1.00 0.85 C ATOM 174 CG MET A 13 -1.445 -2.723 7.856 1.00 1.45 C ATOM 175 SD MET A 13 -2.229 -1.804 6.508 1.00 1.69 S ATOM 176 CE MET A 13 -3.596 -1.015 7.384 1.00 2.16 C ATOM 0 H MET A 13 -0.671 -4.392 9.205 1.00 0.67 H new ATOM 0 HA MET A 13 -0.029 -2.282 10.999 1.00 0.73 H new ATOM 0 HB2 MET A 13 -1.077 -0.944 9.032 1.00 0.85 H new ATOM 0 HB3 MET A 13 0.365 -1.880 8.691 1.00 0.85 H new ATOM 0 HG2 MET A 13 -0.743 -3.425 7.406 1.00 1.45 H new ATOM 0 HG3 MET A 13 -2.221 -3.315 8.341 1.00 1.45 H new ATOM 0 HE1 MET A 13 -4.206 -0.454 6.676 1.00 2.16 H new ATOM 0 HE2 MET A 13 -4.208 -1.778 7.866 1.00 2.16 H new ATOM 0 HE3 MET A 13 -3.200 -0.336 8.140 1.00 2.16 H new ATOM 186 N ASP A 14 -2.262 -2.299 12.327 1.00 0.72 N ATOM 187 CA ASP A 14 -3.467 -1.834 13.027 1.00 0.81 C ATOM 188 C ASP A 14 -3.120 -0.934 14.223 1.00 0.87 C ATOM 189 O ASP A 14 -3.248 -1.348 15.373 1.00 1.24 O ATOM 190 CB ASP A 14 -4.335 -3.035 13.431 1.00 1.16 C ATOM 191 CG ASP A 14 -5.697 -2.600 13.967 1.00 1.94 C ATOM 192 OD1 ASP A 14 -6.254 -1.629 13.406 1.00 2.75 O ATOM 193 OD2 ASP A 14 -6.177 -3.262 14.912 1.00 2.76 O ATOM 0 H ASP A 14 -1.513 -2.601 12.950 1.00 0.72 H new ATOM 0 HA ASP A 14 -4.048 -1.214 12.344 1.00 0.81 H new ATOM 0 HB2 ASP A 14 -4.476 -3.687 12.569 1.00 1.16 H new ATOM 0 HB3 ASP A 14 -3.816 -3.619 14.191 1.00 1.16 H new ATOM 198 N CYS A 15 -2.658 0.297 13.959 1.00 0.67 N ATOM 199 CA CYS A 15 -2.333 1.289 14.990 1.00 0.72 C ATOM 200 C CYS A 15 -2.613 2.709 14.485 1.00 0.97 C ATOM 201 O CYS A 15 -3.738 3.191 14.579 1.00 2.35 O ATOM 202 CB CYS A 15 -0.877 1.159 15.478 1.00 0.72 C ATOM 203 SG CYS A 15 -0.653 -0.231 16.614 1.00 1.52 S ATOM 0 H CYS A 15 -2.498 0.634 13.010 1.00 0.67 H new ATOM 0 HA CYS A 15 -2.979 1.091 15.845 1.00 0.72 H new ATOM 0 HB2 CYS A 15 -0.218 1.032 14.619 1.00 0.72 H new ATOM 0 HB3 CYS A 15 -0.579 2.082 15.975 1.00 0.72 H new ATOM 0 HG CYS A 15 -1.611 -1.093 16.440 1.00 1.52 H new ATOM 209 N ALA A 16 -1.589 3.395 13.954 1.00 0.69 N ATOM 210 CA ALA A 16 -1.674 4.760 13.432 1.00 0.72 C ATOM 211 C ALA A 16 -0.362 5.119 12.731 1.00 0.93 C ATOM 212 O ALA A 16 -0.325 5.414 11.536 1.00 2.03 O ATOM 213 CB ALA A 16 -1.987 5.761 14.553 1.00 0.98 C ATOM 0 H ALA A 16 -0.652 2.999 13.876 1.00 0.69 H new ATOM 0 HA ALA A 16 -2.490 4.813 12.711 1.00 0.72 H new ATOM 0 HB1 ALA A 16 -2.044 6.767 14.137 1.00 0.98 H new ATOM 0 HB2 ALA A 16 -2.941 5.504 15.014 1.00 0.98 H new ATOM 0 HB3 ALA A 16 -1.199 5.724 15.305 1.00 0.98 H new ATOM 219 N ALA A 17 0.744 5.051 13.472 1.00 0.66 N ATOM 220 CA ALA A 17 2.078 5.290 12.930 1.00 0.64 C ATOM 221 C ALA A 17 2.428 4.286 11.821 1.00 0.52 C ATOM 222 O ALA A 17 3.219 4.589 10.926 1.00 0.63 O ATOM 223 CB ALA A 17 3.098 5.239 14.071 1.00 0.92 C ATOM 0 H ALA A 17 0.738 4.828 14.467 1.00 0.66 H new ATOM 0 HA ALA A 17 2.101 6.279 12.471 1.00 0.64 H new ATOM 0 HB1 ALA A 17 4.097 5.417 13.674 1.00 0.92 H new ATOM 0 HB2 ALA A 17 2.859 6.006 14.808 1.00 0.92 H new ATOM 0 HB3 ALA A 17 3.065 4.258 14.545 1.00 0.92 H new ATOM 229 N CYS A 18 1.834 3.090 11.874 1.00 0.43 N ATOM 230 CA CYS A 18 2.027 2.047 10.884 1.00 0.41 C ATOM 231 C CYS A 18 1.246 2.402 9.623 1.00 0.33 C ATOM 232 O CYS A 18 1.747 2.211 8.517 1.00 0.33 O ATOM 233 CB CYS A 18 1.621 0.682 11.454 1.00 0.54 C ATOM 234 SG CYS A 18 -0.157 0.601 11.755 1.00 2.86 S ATOM 0 H CYS A 18 1.195 2.823 12.623 1.00 0.43 H new ATOM 0 HA CYS A 18 3.082 1.975 10.621 1.00 0.41 H new ATOM 0 HB2 CYS A 18 1.911 -0.106 10.759 1.00 0.54 H new ATOM 0 HB3 CYS A 18 2.158 0.499 12.385 1.00 0.54 H new ATOM 0 HG CYS A 18 -0.435 -0.477 12.426 1.00 2.86 H new ATOM 240 N ALA A 19 0.046 2.979 9.773 1.00 0.34 N ATOM 241 CA ALA A 19 -0.702 3.449 8.621 1.00 0.38 C ATOM 242 C ALA A 19 0.116 4.512 7.892 1.00 0.37 C ATOM 243 O ALA A 19 0.170 4.522 6.665 1.00 0.43 O ATOM 244 CB ALA A 19 -2.086 3.986 9.002 1.00 0.48 C ATOM 0 H ALA A 19 -0.414 3.126 10.671 1.00 0.34 H new ATOM 0 HA ALA A 19 -0.876 2.601 7.959 1.00 0.38 H new ATOM 0 HB1 ALA A 19 -2.604 4.325 8.105 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -2.665 3.195 9.479 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -1.975 4.821 9.694 1.00 0.48 H new ATOM 250 N ARG A 20 0.814 5.382 8.630 1.00 0.36 N ATOM 251 CA ARG A 20 1.730 6.275 7.974 1.00 0.44 C ATOM 252 C ARG A 20 2.784 5.501 7.189 1.00 0.36 C ATOM 253 O ARG A 20 2.985 5.765 6.015 1.00 0.36 O ATOM 254 CB ARG A 20 2.317 7.335 8.881 1.00 0.55 C ATOM 255 CG ARG A 20 1.213 8.263 9.398 1.00 0.63 C ATOM 256 CD ARG A 20 1.746 9.166 10.515 1.00 1.06 C ATOM 257 NE ARG A 20 0.914 10.370 10.698 1.00 1.62 N ATOM 258 CZ ARG A 20 -0.355 10.405 11.139 1.00 1.72 C ATOM 259 NH1 ARG A 20 -0.979 9.274 11.488 1.00 2.72 N ATOM 260 NH2 ARG A 20 -0.994 11.577 11.234 1.00 2.48 N ATOM 0 H ARG A 20 0.756 5.475 9.644 1.00 0.36 H new ATOM 0 HA ARG A 20 1.142 6.845 7.254 1.00 0.44 H new ATOM 0 HB2 ARG A 20 2.827 6.863 9.720 1.00 0.55 H new ATOM 0 HB3 ARG A 20 3.064 7.914 8.339 1.00 0.55 H new ATOM 0 HG2 ARG A 20 0.832 8.874 8.580 1.00 0.63 H new ATOM 0 HG3 ARG A 20 0.377 7.670 9.770 1.00 0.63 H new ATOM 0 HD2 ARG A 20 1.781 8.605 11.449 1.00 1.06 H new ATOM 0 HD3 ARG A 20 2.769 9.464 10.283 1.00 1.06 H new ATOM 0 HE ARG A 20 1.345 11.265 10.467 1.00 1.62 H new ATOM 0 HH11 ARG A 20 -0.491 8.381 11.420 1.00 2.72 H new ATOM 0 HH12 ARG A 20 -1.942 9.305 11.822 1.00 2.72 H new ATOM 0 HH21 ARG A 20 -0.518 12.440 10.972 1.00 2.48 H new ATOM 0 HH22 ARG A 20 -1.957 11.607 11.568 1.00 2.48 H new ATOM 274 N LYS A 21 3.468 4.532 7.784 1.00 0.34 N ATOM 275 CA LYS A 21 4.433 3.749 7.020 1.00 0.36 C ATOM 276 C LYS A 21 3.831 3.149 5.740 1.00 0.34 C ATOM 277 O LYS A 21 4.471 3.199 4.695 1.00 0.43 O ATOM 278 CB LYS A 21 5.069 2.731 7.961 1.00 0.40 C ATOM 279 CG LYS A 21 6.177 3.451 8.743 1.00 0.67 C ATOM 280 CD LYS A 21 6.284 2.953 10.187 1.00 1.56 C ATOM 281 CE LYS A 21 7.418 3.663 10.940 1.00 2.01 C ATOM 282 NZ LYS A 21 7.227 5.129 10.993 1.00 2.89 N ATOM 0 H LYS A 21 3.378 4.273 8.766 1.00 0.34 H new ATOM 0 HA LYS A 21 5.223 4.396 6.638 1.00 0.36 H new ATOM 0 HB2 LYS A 21 4.323 2.321 8.643 1.00 0.40 H new ATOM 0 HB3 LYS A 21 5.480 1.893 7.398 1.00 0.40 H new ATOM 0 HG2 LYS A 21 7.131 3.302 8.238 1.00 0.67 H new ATOM 0 HG3 LYS A 21 5.981 4.523 8.744 1.00 0.67 H new ATOM 0 HD2 LYS A 21 5.339 3.123 10.703 1.00 1.56 H new ATOM 0 HD3 LYS A 21 6.460 1.877 10.191 1.00 1.56 H new ATOM 0 HE2 LYS A 21 7.479 3.270 11.955 1.00 2.01 H new ATOM 0 HE3 LYS A 21 8.368 3.440 10.455 1.00 2.01 H new ATOM 0 HZ1 LYS A 21 7.907 5.544 11.662 1.00 2.89 H new ATOM 0 HZ2 LYS A 21 7.381 5.534 10.047 1.00 2.89 H new ATOM 0 HZ3 LYS A 21 6.259 5.342 11.307 1.00 2.89 H new ATOM 296 N VAL A 22 2.595 2.657 5.785 1.00 0.32 N ATOM 297 CA VAL A 22 1.871 2.185 4.616 1.00 0.43 C ATOM 298 C VAL A 22 1.743 3.285 3.558 1.00 0.42 C ATOM 299 O VAL A 22 2.107 3.074 2.402 1.00 0.62 O ATOM 300 CB VAL A 22 0.489 1.695 5.061 1.00 0.51 C ATOM 301 CG1 VAL A 22 -0.409 1.351 3.881 1.00 0.70 C ATOM 302 CG2 VAL A 22 0.599 0.434 5.923 1.00 0.58 C ATOM 0 H VAL A 22 2.063 2.575 6.651 1.00 0.32 H new ATOM 0 HA VAL A 22 2.424 1.365 4.158 1.00 0.43 H new ATOM 0 HB VAL A 22 0.056 2.519 5.628 1.00 0.51 H new ATOM 0 HG11 VAL A 22 -1.377 1.009 4.248 1.00 0.70 H new ATOM 0 HG12 VAL A 22 -0.549 2.236 3.260 1.00 0.70 H new ATOM 0 HG13 VAL A 22 0.054 0.562 3.289 1.00 0.70 H new ATOM 0 HG21 VAL A 22 -0.398 0.110 6.223 1.00 0.58 H new ATOM 0 HG22 VAL A 22 1.080 -0.358 5.349 1.00 0.58 H new ATOM 0 HG23 VAL A 22 1.193 0.651 6.811 1.00 0.58 H new ATOM 312 N GLU A 23 1.186 4.447 3.916 1.00 0.29 N ATOM 313 CA GLU A 23 0.930 5.474 2.916 1.00 0.30 C ATOM 314 C GLU A 23 2.270 5.998 2.410 1.00 0.28 C ATOM 315 O GLU A 23 2.511 6.117 1.218 1.00 0.31 O ATOM 316 CB GLU A 23 0.002 6.581 3.440 1.00 0.38 C ATOM 317 CG GLU A 23 0.634 7.384 4.575 1.00 0.40 C ATOM 318 CD GLU A 23 -0.262 8.497 5.093 1.00 0.59 C ATOM 319 OE1 GLU A 23 -0.583 9.374 4.264 1.00 1.52 O ATOM 320 OE2 GLU A 23 -0.550 8.481 6.309 1.00 1.88 O ATOM 0 H GLU A 23 0.912 4.691 4.868 1.00 0.29 H new ATOM 0 HA GLU A 23 0.386 5.041 2.076 1.00 0.30 H new ATOM 0 HB2 GLU A 23 -0.254 7.254 2.622 1.00 0.38 H new ATOM 0 HB3 GLU A 23 -0.929 6.135 3.789 1.00 0.38 H new ATOM 0 HG2 GLU A 23 0.877 6.710 5.397 1.00 0.40 H new ATOM 0 HG3 GLU A 23 1.573 7.815 4.228 1.00 0.40 H new ATOM 327 N ASN A 24 3.192 6.280 3.320 1.00 0.25 N ATOM 328 CA ASN A 24 4.490 6.835 2.992 1.00 0.29 C ATOM 329 C ASN A 24 5.297 5.850 2.152 1.00 0.30 C ATOM 330 O ASN A 24 6.062 6.274 1.284 1.00 0.35 O ATOM 331 CB ASN A 24 5.206 7.290 4.260 1.00 0.31 C ATOM 332 CG ASN A 24 4.564 8.566 4.814 1.00 0.37 C ATOM 333 OD1 ASN A 24 4.926 9.671 4.418 1.00 0.61 O ATOM 334 ND2 ASN A 24 3.568 8.410 5.681 1.00 0.38 N ATOM 0 H ASN A 24 3.054 6.126 4.319 1.00 0.25 H new ATOM 0 HA ASN A 24 4.365 7.725 2.375 1.00 0.29 H new ATOM 0 HB2 ASN A 24 5.165 6.501 5.010 1.00 0.31 H new ATOM 0 HB3 ASN A 24 6.259 7.470 4.045 1.00 0.31 H new ATOM 0 HD21 ASN A 24 3.074 9.226 6.042 1.00 0.38 H new ATOM 0 HD22 ASN A 24 3.298 7.474 5.985 1.00 0.38 H new ATOM 341 N ALA A 25 5.094 4.545 2.355 1.00 0.33 N ATOM 342 CA ALA A 25 5.645 3.527 1.471 1.00 0.38 C ATOM 343 C ALA A 25 5.185 3.684 0.018 1.00 0.31 C ATOM 344 O ALA A 25 5.901 3.231 -0.871 1.00 0.32 O ATOM 345 CB ALA A 25 5.343 2.134 2.007 1.00 0.49 C ATOM 0 H ALA A 25 4.547 4.172 3.131 1.00 0.33 H new ATOM 0 HA ALA A 25 6.726 3.667 1.458 1.00 0.38 H new ATOM 0 HB1 ALA A 25 5.762 1.386 1.334 1.00 0.49 H new ATOM 0 HB2 ALA A 25 5.786 2.021 2.996 1.00 0.49 H new ATOM 0 HB3 ALA A 25 4.264 1.996 2.075 1.00 0.49 H new ATOM 351 N VAL A 26 4.037 4.323 -0.249 1.00 0.28 N ATOM 352 CA VAL A 26 3.592 4.617 -1.605 1.00 0.28 C ATOM 353 C VAL A 26 3.907 6.064 -2.004 1.00 0.22 C ATOM 354 O VAL A 26 4.330 6.323 -3.127 1.00 0.25 O ATOM 355 CB VAL A 26 2.111 4.256 -1.784 1.00 0.43 C ATOM 356 CG1 VAL A 26 1.882 2.764 -1.531 1.00 1.57 C ATOM 357 CG2 VAL A 26 1.074 5.035 -0.987 1.00 1.80 C ATOM 0 H VAL A 26 3.396 4.648 0.474 1.00 0.28 H new ATOM 0 HA VAL A 26 4.156 3.988 -2.293 1.00 0.28 H new ATOM 0 HB VAL A 26 1.939 4.549 -2.820 1.00 0.43 H new ATOM 0 HG11 VAL A 26 0.826 2.530 -1.663 1.00 1.57 H new ATOM 0 HG12 VAL A 26 2.474 2.180 -2.236 1.00 1.57 H new ATOM 0 HG13 VAL A 26 2.183 2.517 -0.513 1.00 1.57 H new ATOM 0 HG21 VAL A 26 0.078 4.662 -1.224 1.00 1.80 H new ATOM 0 HG22 VAL A 26 1.265 4.909 0.079 1.00 1.80 H new ATOM 0 HG23 VAL A 26 1.136 6.092 -1.245 1.00 1.80 H new ATOM 367 N ARG A 27 3.744 7.019 -1.086 1.00 0.20 N ATOM 368 CA ARG A 27 3.950 8.441 -1.368 1.00 0.23 C ATOM 369 C ARG A 27 5.391 8.701 -1.819 1.00 0.23 C ATOM 370 O ARG A 27 5.656 9.671 -2.522 1.00 0.38 O ATOM 371 CB ARG A 27 3.619 9.302 -0.138 1.00 0.29 C ATOM 372 CG ARG A 27 2.136 9.223 0.269 1.00 0.37 C ATOM 373 CD ARG A 27 1.843 9.823 1.653 1.00 0.97 C ATOM 374 NE ARG A 27 1.930 11.290 1.653 1.00 0.69 N ATOM 375 CZ ARG A 27 2.991 12.039 1.999 1.00 1.67 C ATOM 376 NH1 ARG A 27 4.125 11.474 2.430 1.00 3.66 N ATOM 377 NH2 ARG A 27 2.908 13.372 1.911 1.00 1.94 N ATOM 0 H ARG A 27 3.465 6.827 -0.124 1.00 0.20 H new ATOM 0 HA ARG A 27 3.274 8.720 -2.176 1.00 0.23 H new ATOM 0 HB2 ARG A 27 4.238 8.982 0.700 1.00 0.29 H new ATOM 0 HB3 ARG A 27 3.878 10.340 -0.347 1.00 0.29 H new ATOM 0 HG2 ARG A 27 1.535 9.743 -0.477 1.00 0.37 H new ATOM 0 HG3 ARG A 27 1.821 8.179 0.261 1.00 0.37 H new ATOM 0 HD2 ARG A 27 0.847 9.520 1.975 1.00 0.97 H new ATOM 0 HD3 ARG A 27 2.549 9.419 2.379 1.00 0.97 H new ATOM 0 HE ARG A 27 1.094 11.795 1.358 1.00 0.69 H new ATOM 0 HH11 ARG A 27 4.194 10.459 2.500 1.00 3.66 H new ATOM 0 HH12 ARG A 27 4.920 12.059 2.688 1.00 3.66 H new ATOM 0 HH21 ARG A 27 2.046 13.809 1.584 1.00 1.94 H new ATOM 0 HH22 ARG A 27 3.707 13.951 2.171 1.00 1.94 H new ATOM 391 N GLN A 28 6.319 7.833 -1.408 1.00 0.22 N ATOM 392 CA GLN A 28 7.725 7.913 -1.769 1.00 0.25 C ATOM 393 C GLN A 28 7.995 7.559 -3.235 1.00 0.23 C ATOM 394 O GLN A 28 9.122 7.735 -3.687 1.00 0.27 O ATOM 395 CB GLN A 28 8.565 7.085 -0.798 1.00 0.30 C ATOM 396 CG GLN A 28 8.327 5.575 -0.928 1.00 0.31 C ATOM 397 CD GLN A 28 9.025 4.832 0.205 1.00 0.38 C ATOM 398 OE1 GLN A 28 9.905 4.008 -0.015 1.00 0.45 O ATOM 399 NE2 GLN A 28 8.648 5.144 1.440 1.00 0.54 N ATOM 0 H GLN A 28 6.103 7.041 -0.803 1.00 0.22 H new ATOM 0 HA GLN A 28 8.029 8.956 -1.677 1.00 0.25 H new ATOM 0 HB2 GLN A 28 9.620 7.296 -0.970 1.00 0.30 H new ATOM 0 HB3 GLN A 28 8.340 7.395 0.222 1.00 0.30 H new ATOM 0 HG2 GLN A 28 7.258 5.365 -0.906 1.00 0.31 H new ATOM 0 HG3 GLN A 28 8.701 5.222 -1.889 1.00 0.31 H new ATOM 0 HE21 GLN A 28 7.912 5.834 1.590 1.00 0.54 H new ATOM 0 HE22 GLN A 28 9.094 4.693 2.239 1.00 0.54 H new ATOM 408 N LEU A 29 7.021 6.963 -3.938 1.00 0.20 N ATOM 409 CA LEU A 29 7.143 6.616 -5.343 1.00 0.23 C ATOM 410 C LEU A 29 7.135 7.907 -6.179 1.00 0.31 C ATOM 411 O LEU A 29 7.977 8.780 -5.996 1.00 0.52 O ATOM 412 CB LEU A 29 6.014 5.639 -5.716 1.00 0.25 C ATOM 413 CG LEU A 29 5.923 4.302 -4.942 1.00 0.31 C ATOM 414 CD1 LEU A 29 6.091 3.134 -5.906 1.00 0.42 C ATOM 415 CD2 LEU A 29 6.905 4.048 -3.793 1.00 0.58 C ATOM 0 H LEU A 29 6.120 6.710 -3.533 1.00 0.20 H new ATOM 0 HA LEU A 29 8.085 6.108 -5.551 1.00 0.23 H new ATOM 0 HB2 LEU A 29 5.066 6.162 -5.591 1.00 0.25 H new ATOM 0 HB3 LEU A 29 6.112 5.405 -6.776 1.00 0.25 H new ATOM 0 HG LEU A 29 4.941 4.385 -4.477 1.00 0.31 H new ATOM 0 HD11 LEU A 29 6.026 2.196 -5.355 1.00 0.42 H new ATOM 0 HD12 LEU A 29 5.304 3.168 -6.659 1.00 0.42 H new ATOM 0 HD13 LEU A 29 7.063 3.202 -6.394 1.00 0.42 H new ATOM 0 HD21 LEU A 29 6.709 3.069 -3.356 1.00 0.58 H new ATOM 0 HD22 LEU A 29 7.926 4.077 -4.174 1.00 0.58 H new ATOM 0 HD23 LEU A 29 6.780 4.817 -3.031 1.00 0.58 H new ATOM 427 N ALA A 30 6.193 8.038 -7.114 1.00 0.25 N ATOM 428 CA ALA A 30 6.098 9.194 -7.999 1.00 0.27 C ATOM 429 C ALA A 30 4.813 9.082 -8.807 1.00 0.27 C ATOM 430 O ALA A 30 4.045 10.031 -8.907 1.00 0.29 O ATOM 431 CB ALA A 30 7.306 9.252 -8.944 1.00 0.31 C ATOM 0 H ALA A 30 5.470 7.338 -7.278 1.00 0.25 H new ATOM 0 HA ALA A 30 6.089 10.107 -7.404 1.00 0.27 H new ATOM 0 HB1 ALA A 30 7.217 10.121 -9.596 1.00 0.31 H new ATOM 0 HB2 ALA A 30 8.222 9.330 -8.359 1.00 0.31 H new ATOM 0 HB3 ALA A 30 7.338 8.346 -9.549 1.00 0.31 H new ATOM 437 N GLY A 31 4.592 7.894 -9.374 1.00 0.28 N ATOM 438 CA GLY A 31 3.436 7.636 -10.222 1.00 0.30 C ATOM 439 C GLY A 31 2.143 7.447 -9.423 1.00 0.29 C ATOM 440 O GLY A 31 1.059 7.438 -9.998 1.00 0.41 O ATOM 0 H GLY A 31 5.209 7.090 -9.256 1.00 0.28 H new ATOM 0 HA2 GLY A 31 3.310 8.465 -10.918 1.00 0.30 H new ATOM 0 HA3 GLY A 31 3.622 6.744 -10.820 1.00 0.30 H new ATOM 444 N VAL A 32 2.255 7.252 -8.105 1.00 0.22 N ATOM 445 CA VAL A 32 1.121 7.261 -7.190 1.00 0.21 C ATOM 446 C VAL A 32 0.364 8.591 -7.284 1.00 0.29 C ATOM 447 O VAL A 32 0.978 9.655 -7.306 1.00 0.41 O ATOM 448 CB VAL A 32 1.627 6.962 -5.768 1.00 0.23 C ATOM 449 CG1 VAL A 32 0.534 7.137 -4.703 1.00 0.33 C ATOM 450 CG2 VAL A 32 2.152 5.520 -5.728 1.00 0.23 C ATOM 0 H VAL A 32 3.148 7.082 -7.643 1.00 0.22 H new ATOM 0 HA VAL A 32 0.407 6.484 -7.464 1.00 0.21 H new ATOM 0 HB VAL A 32 2.417 7.676 -5.536 1.00 0.23 H new ATOM 0 HG11 VAL A 32 0.946 6.913 -3.719 1.00 0.33 H new ATOM 0 HG12 VAL A 32 0.171 8.165 -4.720 1.00 0.33 H new ATOM 0 HG13 VAL A 32 -0.292 6.457 -4.914 1.00 0.33 H new ATOM 0 HG21 VAL A 32 2.515 5.293 -4.726 1.00 0.23 H new ATOM 0 HG22 VAL A 32 1.347 4.832 -5.987 1.00 0.23 H new ATOM 0 HG23 VAL A 32 2.968 5.410 -6.443 1.00 0.23 H new ATOM 460 N ASN A 33 -0.969 8.516 -7.314 1.00 0.34 N ATOM 461 CA ASN A 33 -1.873 9.648 -7.448 1.00 0.58 C ATOM 462 C ASN A 33 -2.496 9.870 -6.082 1.00 0.40 C ATOM 463 O ASN A 33 -2.471 10.974 -5.546 1.00 0.67 O ATOM 464 CB ASN A 33 -3.016 9.364 -8.442 1.00 1.09 C ATOM 465 CG ASN A 33 -2.592 8.836 -9.806 1.00 1.13 C ATOM 466 OD1 ASN A 33 -1.427 8.885 -10.180 1.00 2.41 O ATOM 467 ND2 ASN A 33 -3.553 8.288 -10.544 1.00 1.14 N ATOM 0 H ASN A 33 -1.462 7.626 -7.242 1.00 0.34 H new ATOM 0 HA ASN A 33 -1.313 10.509 -7.814 1.00 0.58 H new ATOM 0 HB2 ASN A 33 -3.695 8.642 -7.989 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -3.581 10.284 -8.589 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -3.331 7.889 -11.456 1.00 1.14 H new ATOM 0 HD22 ASN A 33 -4.512 8.266 -10.198 1.00 1.14 H new ATOM 474 N GLN A 34 -3.074 8.797 -5.530 1.00 0.34 N ATOM 475 CA GLN A 34 -3.718 8.818 -4.234 1.00 0.52 C ATOM 476 C GLN A 34 -3.629 7.426 -3.616 1.00 0.54 C ATOM 477 O GLN A 34 -3.212 6.471 -4.272 1.00 1.05 O ATOM 478 CB GLN A 34 -5.148 9.370 -4.366 1.00 0.76 C ATOM 479 CG GLN A 34 -6.229 8.368 -4.785 1.00 1.91 C ATOM 480 CD GLN A 34 -7.162 8.957 -5.848 1.00 1.80 C ATOM 481 OE1 GLN A 34 -8.260 9.403 -5.528 1.00 2.16 O ATOM 482 NE2 GLN A 34 -6.727 9.035 -7.108 1.00 1.50 N ATOM 0 H GLN A 34 -3.102 7.884 -5.985 1.00 0.34 H new ATOM 0 HA GLN A 34 -3.210 9.495 -3.547 1.00 0.52 H new ATOM 0 HB2 GLN A 34 -5.437 9.803 -3.408 1.00 0.76 H new ATOM 0 HB3 GLN A 34 -5.135 10.182 -5.093 1.00 0.76 H new ATOM 0 HG2 GLN A 34 -5.758 7.465 -5.173 1.00 1.91 H new ATOM 0 HG3 GLN A 34 -6.811 8.074 -3.912 1.00 1.91 H new ATOM 0 HE21 GLN A 34 -5.812 8.659 -7.356 1.00 1.50 H new ATOM 0 HE22 GLN A 34 -7.310 9.471 -7.823 1.00 1.50 H new ATOM 491 N VAL A 35 -4.003 7.327 -2.345 1.00 0.33 N ATOM 492 CA VAL A 35 -3.860 6.132 -1.535 1.00 0.34 C ATOM 493 C VAL A 35 -5.030 6.030 -0.560 1.00 0.33 C ATOM 494 O VAL A 35 -5.497 7.044 -0.048 1.00 0.45 O ATOM 495 CB VAL A 35 -2.492 6.152 -0.829 1.00 0.50 C ATOM 496 CG1 VAL A 35 -2.265 7.412 0.020 1.00 1.56 C ATOM 497 CG2 VAL A 35 -2.299 4.910 0.049 1.00 1.44 C ATOM 0 H VAL A 35 -4.427 8.104 -1.838 1.00 0.33 H new ATOM 0 HA VAL A 35 -3.887 5.239 -2.160 1.00 0.34 H new ATOM 0 HB VAL A 35 -1.753 6.155 -1.630 1.00 0.50 H new ATOM 0 HG11 VAL A 35 -1.283 7.362 0.490 1.00 1.56 H new ATOM 0 HG12 VAL A 35 -2.318 8.295 -0.617 1.00 1.56 H new ATOM 0 HG13 VAL A 35 -3.033 7.474 0.791 1.00 1.56 H new ATOM 0 HG21 VAL A 35 -1.324 4.955 0.533 1.00 1.44 H new ATOM 0 HG22 VAL A 35 -3.080 4.876 0.809 1.00 1.44 H new ATOM 0 HG23 VAL A 35 -2.356 4.015 -0.570 1.00 1.44 H new ATOM 507 N GLN A 36 -5.501 4.804 -0.319 1.00 0.35 N ATOM 508 CA GLN A 36 -6.553 4.469 0.617 1.00 0.43 C ATOM 509 C GLN A 36 -6.104 3.277 1.464 1.00 0.36 C ATOM 510 O GLN A 36 -6.314 2.120 1.101 1.00 0.44 O ATOM 511 CB GLN A 36 -7.835 4.179 -0.171 1.00 0.72 C ATOM 512 CG GLN A 36 -8.644 5.463 -0.360 1.00 1.22 C ATOM 513 CD GLN A 36 -9.442 5.434 -1.660 1.00 1.20 C ATOM 514 OE1 GLN A 36 -10.629 5.127 -1.658 1.00 1.84 O ATOM 515 NE2 GLN A 36 -8.783 5.734 -2.777 1.00 1.14 N ATOM 0 H GLN A 36 -5.134 3.983 -0.801 1.00 0.35 H new ATOM 0 HA GLN A 36 -6.759 5.295 1.298 1.00 0.43 H new ATOM 0 HB2 GLN A 36 -7.584 3.753 -1.142 1.00 0.72 H new ATOM 0 HB3 GLN A 36 -8.435 3.438 0.357 1.00 0.72 H new ATOM 0 HG2 GLN A 36 -9.323 5.594 0.482 1.00 1.22 H new ATOM 0 HG3 GLN A 36 -7.972 6.321 -0.363 1.00 1.22 H new ATOM 0 HE21 GLN A 36 -7.795 5.984 -2.735 1.00 1.14 H new ATOM 0 HE22 GLN A 36 -9.266 5.713 -3.675 1.00 1.14 H new ATOM 524 N VAL A 37 -5.542 3.589 2.630 1.00 0.30 N ATOM 525 CA VAL A 37 -5.250 2.658 3.702 1.00 0.33 C ATOM 526 C VAL A 37 -6.477 2.650 4.617 1.00 0.32 C ATOM 527 O VAL A 37 -6.886 3.694 5.123 1.00 0.50 O ATOM 528 CB VAL A 37 -3.953 3.085 4.444 1.00 0.41 C ATOM 529 CG1 VAL A 37 -2.941 3.788 3.526 1.00 1.51 C ATOM 530 CG2 VAL A 37 -4.142 4.035 5.637 1.00 1.73 C ATOM 0 H VAL A 37 -5.267 4.545 2.857 1.00 0.30 H new ATOM 0 HA VAL A 37 -5.064 1.650 3.331 1.00 0.33 H new ATOM 0 HB VAL A 37 -3.593 2.121 4.803 1.00 0.41 H new ATOM 0 HG11 VAL A 37 -2.057 4.062 4.102 1.00 1.51 H new ATOM 0 HG12 VAL A 37 -2.654 3.115 2.718 1.00 1.51 H new ATOM 0 HG13 VAL A 37 -3.393 4.686 3.106 1.00 1.51 H new ATOM 0 HG21 VAL A 37 -3.171 4.265 6.077 1.00 1.73 H new ATOM 0 HG22 VAL A 37 -4.613 4.957 5.297 1.00 1.73 H new ATOM 0 HG23 VAL A 37 -4.775 3.558 6.385 1.00 1.73 H new ATOM 540 N LEU A 38 -7.113 1.488 4.779 1.00 0.36 N ATOM 541 CA LEU A 38 -8.214 1.299 5.700 1.00 0.39 C ATOM 542 C LEU A 38 -7.832 0.202 6.702 1.00 0.39 C ATOM 543 O LEU A 38 -7.674 -0.964 6.327 1.00 0.41 O ATOM 544 CB LEU A 38 -9.473 0.981 4.884 1.00 0.42 C ATOM 545 CG LEU A 38 -10.620 0.458 5.749 1.00 0.47 C ATOM 546 CD1 LEU A 38 -11.043 1.435 6.854 1.00 0.54 C ATOM 547 CD2 LEU A 38 -11.834 0.141 4.872 1.00 0.52 C ATOM 0 H LEU A 38 -6.867 0.644 4.262 1.00 0.36 H new ATOM 0 HA LEU A 38 -8.427 2.195 6.283 1.00 0.39 H new ATOM 0 HB2 LEU A 38 -9.799 1.880 4.361 1.00 0.42 H new ATOM 0 HB3 LEU A 38 -9.230 0.240 4.123 1.00 0.42 H new ATOM 0 HG LEU A 38 -10.248 -0.443 6.238 1.00 0.47 H new ATOM 0 HD11 LEU A 38 -11.861 1.001 7.430 1.00 0.54 H new ATOM 0 HD12 LEU A 38 -10.197 1.627 7.514 1.00 0.54 H new ATOM 0 HD13 LEU A 38 -11.373 2.372 6.405 1.00 0.54 H new ATOM 0 HD21 LEU A 38 -12.647 -0.231 5.496 1.00 0.52 H new ATOM 0 HD22 LEU A 38 -12.157 1.046 4.357 1.00 0.52 H new ATOM 0 HD23 LEU A 38 -11.564 -0.618 4.138 1.00 0.52 H new ATOM 559 N PHE A 39 -7.696 0.596 7.975 1.00 0.70 N ATOM 560 CA PHE A 39 -7.488 -0.311 9.094 1.00 0.80 C ATOM 561 C PHE A 39 -8.635 -1.297 9.244 1.00 0.96 C ATOM 562 O PHE A 39 -9.730 -1.071 8.728 1.00 1.56 O ATOM 563 CB PHE A 39 -7.346 0.479 10.407 1.00 1.34 C ATOM 564 CG PHE A 39 -6.044 1.223 10.564 1.00 0.63 C ATOM 565 CD1 PHE A 39 -4.857 0.505 10.376 1.00 1.97 C ATOM 566 CD2 PHE A 39 -6.000 2.494 11.166 1.00 2.23 C ATOM 567 CE1 PHE A 39 -3.629 1.049 10.755 1.00 2.39 C ATOM 568 CE2 PHE A 39 -4.767 3.029 11.580 1.00 2.57 C ATOM 569 CZ PHE A 39 -3.583 2.297 11.388 1.00 1.96 C ATOM 0 H PHE A 39 -7.729 1.577 8.254 1.00 0.70 H new ATOM 0 HA PHE A 39 -6.573 -0.865 8.886 1.00 0.80 H new ATOM 0 HB2 PHE A 39 -8.166 1.194 10.474 1.00 1.34 H new ATOM 0 HB3 PHE A 39 -7.456 -0.212 11.243 1.00 1.34 H new ATOM 0 HD1 PHE A 39 -4.892 -0.479 9.933 1.00 1.97 H new ATOM 0 HD2 PHE A 39 -6.910 3.057 11.310 1.00 2.23 H new ATOM 0 HE1 PHE A 39 -2.715 0.508 10.560 1.00 2.39 H new ATOM 0 HE2 PHE A 39 -4.730 4.003 12.046 1.00 2.57 H new ATOM 0 HZ PHE A 39 -2.639 2.696 11.728 1.00 1.96 H new ATOM 579 N ALA A 40 -8.364 -2.397 9.950 1.00 0.97 N ATOM 580 CA ALA A 40 -9.297 -3.460 10.300 1.00 1.17 C ATOM 581 C ALA A 40 -9.657 -4.328 9.092 1.00 0.98 C ATOM 582 O ALA A 40 -9.641 -5.553 9.176 1.00 1.21 O ATOM 583 CB ALA A 40 -10.543 -2.918 11.013 1.00 1.53 C ATOM 0 H ALA A 40 -7.428 -2.576 10.313 1.00 0.97 H new ATOM 0 HA ALA A 40 -8.785 -4.109 11.011 1.00 1.17 H new ATOM 0 HB1 ALA A 40 -11.212 -3.744 11.256 1.00 1.53 H new ATOM 0 HB2 ALA A 40 -10.245 -2.411 11.931 1.00 1.53 H new ATOM 0 HB3 ALA A 40 -11.059 -2.214 10.360 1.00 1.53 H new ATOM 589 N THR A 41 -9.950 -3.698 7.950 1.00 0.71 N ATOM 590 CA THR A 41 -10.012 -4.375 6.668 1.00 0.62 C ATOM 591 C THR A 41 -8.602 -4.812 6.270 1.00 0.65 C ATOM 592 O THR A 41 -8.440 -5.773 5.523 1.00 1.05 O ATOM 593 CB THR A 41 -10.639 -3.440 5.623 1.00 0.72 C ATOM 594 OG1 THR A 41 -11.810 -2.834 6.137 1.00 0.87 O ATOM 595 CG2 THR A 41 -11.047 -4.205 4.362 1.00 1.29 C ATOM 0 H THR A 41 -10.150 -2.699 7.898 1.00 0.71 H new ATOM 0 HA THR A 41 -10.639 -5.264 6.732 1.00 0.62 H new ATOM 0 HB THR A 41 -9.884 -2.691 5.381 1.00 0.72 H new ATOM 0 HG1 THR A 41 -12.362 -2.507 5.396 1.00 0.87 H new ATOM 0 HG21 THR A 41 -11.487 -3.514 3.643 1.00 1.29 H new ATOM 0 HG22 THR A 41 -10.168 -4.675 3.921 1.00 1.29 H new ATOM 0 HG23 THR A 41 -11.777 -4.972 4.622 1.00 1.29 H new ATOM 603 N GLU A 42 -7.589 -4.083 6.759 1.00 0.50 N ATOM 604 CA GLU A 42 -6.193 -4.292 6.429 1.00 0.68 C ATOM 605 C GLU A 42 -6.036 -4.267 4.908 1.00 0.60 C ATOM 606 O GLU A 42 -5.336 -5.086 4.302 1.00 0.69 O ATOM 607 CB GLU A 42 -5.689 -5.584 7.086 1.00 0.96 C ATOM 608 CG GLU A 42 -4.285 -5.357 7.652 1.00 2.35 C ATOM 609 CD GLU A 42 -4.302 -4.913 9.105 1.00 3.35 C ATOM 610 OE1 GLU A 42 -5.236 -4.163 9.466 1.00 3.76 O ATOM 611 OE2 GLU A 42 -3.363 -5.354 9.806 1.00 4.42 O ATOM 0 H GLU A 42 -7.734 -3.313 7.412 1.00 0.50 H new ATOM 0 HA GLU A 42 -5.569 -3.492 6.827 1.00 0.68 H new ATOM 0 HB2 GLU A 42 -6.368 -5.888 7.882 1.00 0.96 H new ATOM 0 HB3 GLU A 42 -5.671 -6.393 6.355 1.00 0.96 H new ATOM 0 HG2 GLU A 42 -3.709 -6.279 7.565 1.00 2.35 H new ATOM 0 HG3 GLU A 42 -3.774 -4.604 7.052 1.00 2.35 H new ATOM 618 N LYS A 43 -6.739 -3.313 4.294 1.00 0.46 N ATOM 619 CA LYS A 43 -6.820 -3.192 2.860 1.00 0.45 C ATOM 620 C LYS A 43 -5.989 -1.982 2.543 1.00 0.42 C ATOM 621 O LYS A 43 -6.131 -0.933 3.182 1.00 0.55 O ATOM 622 CB LYS A 43 -8.273 -3.053 2.368 1.00 0.67 C ATOM 623 CG LYS A 43 -8.422 -2.403 0.979 1.00 1.17 C ATOM 624 CD LYS A 43 -8.639 -0.879 1.076 1.00 0.84 C ATOM 625 CE LYS A 43 -10.118 -0.507 1.236 1.00 0.54 C ATOM 626 NZ LYS A 43 -10.844 -0.526 -0.049 1.00 1.45 N ATOM 0 H LYS A 43 -7.270 -2.601 4.796 1.00 0.46 H new ATOM 0 HA LYS A 43 -6.454 -4.083 2.350 1.00 0.45 H new ATOM 0 HB2 LYS A 43 -8.730 -4.042 2.342 1.00 0.67 H new ATOM 0 HB3 LYS A 43 -8.833 -2.462 3.093 1.00 0.67 H new ATOM 0 HG2 LYS A 43 -7.530 -2.605 0.386 1.00 1.17 H new ATOM 0 HG3 LYS A 43 -9.263 -2.857 0.455 1.00 1.17 H new ATOM 0 HD2 LYS A 43 -8.075 -0.488 1.923 1.00 0.84 H new ATOM 0 HD3 LYS A 43 -8.242 -0.401 0.181 1.00 0.84 H new ATOM 0 HE2 LYS A 43 -10.592 -1.202 1.929 1.00 0.54 H new ATOM 0 HE3 LYS A 43 -10.194 0.486 1.679 1.00 0.54 H new ATOM 0 HZ1 LYS A 43 -11.839 -0.268 0.110 1.00 1.45 H new ATOM 0 HZ2 LYS A 43 -10.410 0.156 -0.703 1.00 1.45 H new ATOM 0 HZ3 LYS A 43 -10.795 -1.480 -0.461 1.00 1.45 H new ATOM 640 N LEU A 44 -5.153 -2.151 1.528 1.00 0.32 N ATOM 641 CA LEU A 44 -4.509 -1.091 0.852 1.00 0.31 C ATOM 642 C LEU A 44 -5.175 -0.896 -0.485 1.00 0.27 C ATOM 643 O LEU A 44 -5.433 -1.878 -1.177 1.00 0.35 O ATOM 644 CB LEU A 44 -3.037 -1.498 0.667 1.00 0.42 C ATOM 645 CG LEU A 44 -2.065 -0.559 1.354 1.00 0.59 C ATOM 646 CD1 LEU A 44 -0.812 -0.341 0.505 1.00 0.56 C ATOM 647 CD2 LEU A 44 -2.723 0.786 1.558 1.00 1.24 C ATOM 0 H LEU A 44 -4.912 -3.071 1.158 1.00 0.32 H new ATOM 0 HA LEU A 44 -4.571 -0.157 1.410 1.00 0.31 H new ATOM 0 HB2 LEU A 44 -2.894 -2.506 1.056 1.00 0.42 H new ATOM 0 HB3 LEU A 44 -2.808 -1.532 -0.398 1.00 0.42 H new ATOM 0 HG LEU A 44 -1.785 -1.010 2.306 1.00 0.59 H new ATOM 0 HD11 LEU A 44 -0.134 0.337 1.024 1.00 0.56 H new ATOM 0 HD12 LEU A 44 -0.314 -1.296 0.340 1.00 0.56 H new ATOM 0 HD13 LEU A 44 -1.094 0.092 -0.455 1.00 0.56 H new ATOM 0 HD21 LEU A 44 -2.025 1.462 2.052 1.00 1.24 H new ATOM 0 HD22 LEU A 44 -3.008 1.202 0.592 1.00 1.24 H new ATOM 0 HD23 LEU A 44 -3.612 0.666 2.178 1.00 1.24 H new ATOM 659 N VAL A 45 -5.430 0.360 -0.839 1.00 0.23 N ATOM 660 CA VAL A 45 -5.630 0.773 -2.207 1.00 0.24 C ATOM 661 C VAL A 45 -4.636 1.870 -2.535 1.00 0.27 C ATOM 662 O VAL A 45 -4.315 2.689 -1.678 1.00 0.49 O ATOM 663 CB VAL A 45 -7.092 1.177 -2.431 1.00 0.34 C ATOM 664 CG1 VAL A 45 -7.313 2.176 -3.573 1.00 0.66 C ATOM 665 CG2 VAL A 45 -7.810 -0.118 -2.785 1.00 0.57 C ATOM 0 H VAL A 45 -5.503 1.124 -0.167 1.00 0.23 H new ATOM 0 HA VAL A 45 -5.443 -0.051 -2.896 1.00 0.24 H new ATOM 0 HB VAL A 45 -7.457 1.676 -1.533 1.00 0.34 H new ATOM 0 HG11 VAL A 45 -8.376 2.403 -3.657 1.00 0.66 H new ATOM 0 HG12 VAL A 45 -6.761 3.093 -3.366 1.00 0.66 H new ATOM 0 HG13 VAL A 45 -6.959 1.743 -4.509 1.00 0.66 H new ATOM 0 HG21 VAL A 45 -8.866 0.088 -2.961 1.00 0.57 H new ATOM 0 HG22 VAL A 45 -7.368 -0.544 -3.686 1.00 0.57 H new ATOM 0 HG23 VAL A 45 -7.710 -0.826 -1.962 1.00 0.57 H new ATOM 675 N VAL A 46 -4.127 1.856 -3.761 1.00 0.25 N ATOM 676 CA VAL A 46 -3.242 2.851 -4.316 1.00 0.23 C ATOM 677 C VAL A 46 -3.771 3.133 -5.715 1.00 0.20 C ATOM 678 O VAL A 46 -3.916 2.196 -6.501 1.00 0.26 O ATOM 679 CB VAL A 46 -1.820 2.280 -4.343 1.00 0.30 C ATOM 680 CG1 VAL A 46 -0.875 3.196 -5.119 1.00 0.40 C ATOM 681 CG2 VAL A 46 -1.298 2.117 -2.912 1.00 0.32 C ATOM 0 H VAL A 46 -4.336 1.108 -4.422 1.00 0.25 H new ATOM 0 HA VAL A 46 -3.207 3.773 -3.736 1.00 0.23 H new ATOM 0 HB VAL A 46 -1.855 1.311 -4.840 1.00 0.30 H new ATOM 0 HG11 VAL A 46 0.127 2.767 -5.122 1.00 0.40 H new ATOM 0 HG12 VAL A 46 -1.229 3.299 -6.145 1.00 0.40 H new ATOM 0 HG13 VAL A 46 -0.848 4.177 -4.644 1.00 0.40 H new ATOM 0 HG21 VAL A 46 -0.287 1.711 -2.938 1.00 0.32 H new ATOM 0 HG22 VAL A 46 -1.287 3.088 -2.416 1.00 0.32 H new ATOM 0 HG23 VAL A 46 -1.949 1.436 -2.363 1.00 0.32 H new ATOM 691 N ASP A 47 -4.054 4.401 -6.015 1.00 0.21 N ATOM 692 CA ASP A 47 -4.464 4.818 -7.344 1.00 0.24 C ATOM 693 C ASP A 47 -3.251 5.494 -7.950 1.00 0.24 C ATOM 694 O ASP A 47 -2.723 6.420 -7.334 1.00 0.33 O ATOM 695 CB ASP A 47 -5.699 5.722 -7.328 1.00 0.42 C ATOM 696 CG ASP A 47 -6.836 5.185 -6.456 1.00 1.26 C ATOM 697 OD1 ASP A 47 -6.885 3.954 -6.258 1.00 2.36 O ATOM 698 OD2 ASP A 47 -7.642 6.017 -5.987 1.00 2.40 O ATOM 0 H ASP A 47 -4.004 5.163 -5.339 1.00 0.21 H new ATOM 0 HA ASP A 47 -4.779 3.964 -7.943 1.00 0.24 H new ATOM 0 HB2 ASP A 47 -5.412 6.710 -6.969 1.00 0.42 H new ATOM 0 HB3 ASP A 47 -6.062 5.847 -8.348 1.00 0.42 H new ATOM 703 N ALA A 48 -2.772 4.999 -9.093 1.00 0.26 N ATOM 704 CA ALA A 48 -1.506 5.436 -9.673 1.00 0.27 C ATOM 705 C ALA A 48 -1.573 5.478 -11.201 1.00 0.33 C ATOM 706 O ALA A 48 -2.123 4.571 -11.836 1.00 0.54 O ATOM 707 CB ALA A 48 -0.363 4.539 -9.181 1.00 0.31 C ATOM 0 H ALA A 48 -3.252 4.285 -9.640 1.00 0.26 H new ATOM 0 HA ALA A 48 -1.308 6.455 -9.339 1.00 0.27 H new ATOM 0 HB1 ALA A 48 0.577 4.874 -9.620 1.00 0.31 H new ATOM 0 HB2 ALA A 48 -0.297 4.597 -8.095 1.00 0.31 H new ATOM 0 HB3 ALA A 48 -0.556 3.508 -9.479 1.00 0.31 H new ATOM 713 N ASP A 49 -0.986 6.518 -11.800 1.00 0.34 N ATOM 714 CA ASP A 49 -0.878 6.667 -13.247 1.00 0.50 C ATOM 715 C ASP A 49 0.294 5.823 -13.765 1.00 0.46 C ATOM 716 O ASP A 49 1.208 6.349 -14.394 1.00 0.70 O ATOM 717 CB ASP A 49 -0.724 8.158 -13.621 1.00 0.77 C ATOM 718 CG ASP A 49 -2.015 8.960 -13.516 1.00 1.03 C ATOM 719 OD1 ASP A 49 -3.033 8.469 -14.045 1.00 1.58 O ATOM 720 OD2 ASP A 49 -1.979 10.056 -12.924 1.00 2.32 O ATOM 0 H ASP A 49 -0.567 7.290 -11.282 1.00 0.34 H new ATOM 0 HA ASP A 49 -1.790 6.306 -13.723 1.00 0.50 H new ATOM 0 HB2 ASP A 49 0.026 8.609 -12.971 1.00 0.77 H new ATOM 0 HB3 ASP A 49 -0.346 8.229 -14.641 1.00 0.77 H new ATOM 725 N ASN A 50 0.247 4.507 -13.514 1.00 0.32 N ATOM 726 CA ASN A 50 1.190 3.476 -13.968 1.00 0.45 C ATOM 727 C ASN A 50 1.081 2.250 -13.063 1.00 0.63 C ATOM 728 O ASN A 50 0.721 2.389 -11.893 1.00 1.75 O ATOM 729 CB ASN A 50 2.664 3.933 -14.038 1.00 0.57 C ATOM 730 CG ASN A 50 3.247 4.557 -12.765 1.00 0.54 C ATOM 731 OD1 ASN A 50 4.299 5.185 -12.815 1.00 1.35 O ATOM 732 ND2 ASN A 50 2.620 4.392 -11.600 1.00 0.57 N ATOM 0 H ASN A 50 -0.503 4.108 -12.949 1.00 0.32 H new ATOM 0 HA ASN A 50 0.902 3.242 -14.993 1.00 0.45 H new ATOM 0 HB2 ASN A 50 3.276 3.072 -14.307 1.00 0.57 H new ATOM 0 HB3 ASN A 50 2.759 4.657 -14.847 1.00 0.57 H new ATOM 0 HD21 ASN A 50 3.015 4.789 -10.747 1.00 0.57 H new ATOM 0 HD22 ASN A 50 1.745 3.869 -11.561 1.00 0.57 H new ATOM 739 N ASP A 51 1.435 1.073 -13.577 1.00 0.79 N ATOM 740 CA ASP A 51 1.572 -0.158 -12.817 1.00 0.73 C ATOM 741 C ASP A 51 2.823 -0.077 -11.940 1.00 0.59 C ATOM 742 O ASP A 51 3.933 0.031 -12.452 1.00 0.67 O ATOM 743 CB ASP A 51 1.642 -1.349 -13.789 1.00 0.91 C ATOM 744 CG ASP A 51 2.713 -1.198 -14.868 1.00 2.72 C ATOM 745 OD1 ASP A 51 2.662 -0.156 -15.564 1.00 4.14 O ATOM 746 OD2 ASP A 51 3.524 -2.139 -15.001 1.00 3.56 O ATOM 0 H ASP A 51 1.640 0.951 -14.569 1.00 0.79 H new ATOM 0 HA ASP A 51 0.710 -0.299 -12.165 1.00 0.73 H new ATOM 0 HB2 ASP A 51 1.836 -2.259 -13.221 1.00 0.91 H new ATOM 0 HB3 ASP A 51 0.671 -1.473 -14.268 1.00 0.91 H new ATOM 751 N ILE A 52 2.657 -0.128 -10.610 1.00 0.49 N ATOM 752 CA ILE A 52 3.786 -0.068 -9.678 1.00 0.42 C ATOM 753 C ILE A 52 3.524 -0.967 -8.463 1.00 0.32 C ATOM 754 O ILE A 52 4.111 -0.777 -7.400 1.00 0.31 O ATOM 755 CB ILE A 52 4.156 1.398 -9.320 1.00 0.48 C ATOM 756 CG1 ILE A 52 2.971 2.313 -8.977 1.00 0.43 C ATOM 757 CG2 ILE A 52 4.948 2.060 -10.459 1.00 0.67 C ATOM 758 CD1 ILE A 52 2.340 2.026 -7.617 1.00 0.44 C ATOM 0 H ILE A 52 1.747 -0.211 -10.157 1.00 0.49 H new ATOM 0 HA ILE A 52 4.675 -0.468 -10.166 1.00 0.42 H new ATOM 0 HB ILE A 52 4.754 1.298 -8.415 1.00 0.48 H new ATOM 0 HG12 ILE A 52 3.307 3.350 -8.999 1.00 0.43 H new ATOM 0 HG13 ILE A 52 2.209 2.209 -9.749 1.00 0.43 H new ATOM 0 HG21 ILE A 52 5.194 3.085 -10.183 1.00 0.67 H new ATOM 0 HG22 ILE A 52 5.867 1.501 -10.636 1.00 0.67 H new ATOM 0 HG23 ILE A 52 4.345 2.064 -11.367 1.00 0.67 H new ATOM 0 HD11 ILE A 52 1.511 2.713 -7.448 1.00 0.44 H new ATOM 0 HD12 ILE A 52 1.971 1.000 -7.596 1.00 0.44 H new ATOM 0 HD13 ILE A 52 3.087 2.159 -6.834 1.00 0.44 H new ATOM 770 N ARG A 53 2.670 -1.986 -8.616 1.00 0.32 N ATOM 771 CA ARG A 53 2.243 -2.829 -7.500 1.00 0.34 C ATOM 772 C ARG A 53 3.419 -3.529 -6.856 1.00 0.29 C ATOM 773 O ARG A 53 3.534 -3.533 -5.637 1.00 0.31 O ATOM 774 CB ARG A 53 1.232 -3.892 -7.923 1.00 0.39 C ATOM 775 CG ARG A 53 0.122 -3.257 -8.741 1.00 0.46 C ATOM 776 CD ARG A 53 -1.111 -4.158 -8.799 1.00 0.58 C ATOM 777 NE ARG A 53 -0.811 -5.586 -9.054 1.00 0.75 N ATOM 778 CZ ARG A 53 -1.080 -6.267 -10.179 1.00 1.48 C ATOM 779 NH1 ARG A 53 -1.456 -5.624 -11.292 1.00 2.49 N ATOM 780 NH2 ARG A 53 -0.966 -7.597 -10.196 1.00 1.88 N ATOM 0 H ARG A 53 2.259 -2.246 -9.513 1.00 0.32 H new ATOM 0 HA ARG A 53 1.770 -2.153 -6.787 1.00 0.34 H new ATOM 0 HB2 ARG A 53 1.729 -4.666 -8.508 1.00 0.39 H new ATOM 0 HB3 ARG A 53 0.813 -4.378 -7.042 1.00 0.39 H new ATOM 0 HG2 ARG A 53 -0.148 -2.295 -8.306 1.00 0.46 H new ATOM 0 HG3 ARG A 53 0.479 -3.061 -9.752 1.00 0.46 H new ATOM 0 HD2 ARG A 53 -1.652 -4.075 -7.856 1.00 0.58 H new ATOM 0 HD3 ARG A 53 -1.777 -3.793 -9.581 1.00 0.58 H new ATOM 0 HE ARG A 53 -0.356 -6.102 -8.301 1.00 0.75 H new ATOM 0 HH11 ARG A 53 -1.540 -4.607 -11.290 1.00 2.49 H new ATOM 0 HH12 ARG A 53 -1.658 -6.151 -12.142 1.00 2.49 H new ATOM 0 HH21 ARG A 53 -0.675 -8.095 -9.355 1.00 1.88 H new ATOM 0 HH22 ARG A 53 -1.170 -8.115 -11.050 1.00 1.88 H new ATOM 794 N ALA A 54 4.297 -4.097 -7.684 1.00 0.26 N ATOM 795 CA ALA A 54 5.527 -4.710 -7.219 1.00 0.26 C ATOM 796 C ALA A 54 6.343 -3.702 -6.414 1.00 0.24 C ATOM 797 O ALA A 54 7.040 -4.072 -5.470 1.00 0.24 O ATOM 798 CB ALA A 54 6.335 -5.197 -8.420 1.00 0.28 C ATOM 0 H ALA A 54 4.169 -4.141 -8.695 1.00 0.26 H new ATOM 0 HA ALA A 54 5.288 -5.557 -6.576 1.00 0.26 H new ATOM 0 HB1 ALA A 54 7.260 -5.658 -8.073 1.00 0.28 H new ATOM 0 HB2 ALA A 54 5.752 -5.929 -8.978 1.00 0.28 H new ATOM 0 HB3 ALA A 54 6.571 -4.352 -9.067 1.00 0.28 H new ATOM 804 N GLN A 55 6.271 -2.423 -6.798 1.00 0.24 N ATOM 805 CA GLN A 55 7.100 -1.406 -6.191 1.00 0.23 C ATOM 806 C GLN A 55 6.508 -0.997 -4.853 1.00 0.22 C ATOM 807 O GLN A 55 7.248 -0.837 -3.882 1.00 0.28 O ATOM 808 CB GLN A 55 7.332 -0.258 -7.183 1.00 0.35 C ATOM 809 CG GLN A 55 8.676 0.446 -6.945 1.00 0.38 C ATOM 810 CD GLN A 55 9.169 1.172 -8.194 1.00 0.99 C ATOM 811 OE1 GLN A 55 10.271 0.920 -8.668 1.00 2.24 O ATOM 812 NE2 GLN A 55 8.359 2.064 -8.758 1.00 1.39 N ATOM 0 H GLN A 55 5.645 -2.079 -7.526 1.00 0.24 H new ATOM 0 HA GLN A 55 8.094 -1.790 -5.964 1.00 0.23 H new ATOM 0 HB2 GLN A 55 7.302 -0.647 -8.201 1.00 0.35 H new ATOM 0 HB3 GLN A 55 6.523 0.467 -7.094 1.00 0.35 H new ATOM 0 HG2 GLN A 55 8.572 1.160 -6.128 1.00 0.38 H new ATOM 0 HG3 GLN A 55 9.420 -0.288 -6.635 1.00 0.38 H new ATOM 0 HE21 GLN A 55 7.446 2.257 -8.345 1.00 1.39 H new ATOM 0 HE22 GLN A 55 8.651 2.555 -9.603 1.00 1.39 H new ATOM 821 N VAL A 56 5.176 -0.908 -4.766 1.00 0.21 N ATOM 822 CA VAL A 56 4.566 -0.707 -3.470 1.00 0.18 C ATOM 823 C VAL A 56 4.858 -1.932 -2.604 1.00 0.20 C ATOM 824 O VAL A 56 5.364 -1.788 -1.496 1.00 0.27 O ATOM 825 CB VAL A 56 3.062 -0.530 -3.616 1.00 0.26 C ATOM 826 CG1 VAL A 56 2.467 -0.397 -2.204 1.00 0.37 C ATOM 827 CG2 VAL A 56 2.763 0.690 -4.489 1.00 0.56 C ATOM 0 H VAL A 56 4.529 -0.971 -5.552 1.00 0.21 H new ATOM 0 HA VAL A 56 4.975 0.191 -3.007 1.00 0.18 H new ATOM 0 HB VAL A 56 2.608 -1.388 -4.112 1.00 0.26 H new ATOM 0 HG11 VAL A 56 1.387 -0.268 -2.275 1.00 0.37 H new ATOM 0 HG12 VAL A 56 2.688 -1.297 -1.630 1.00 0.37 H new ATOM 0 HG13 VAL A 56 2.903 0.468 -1.705 1.00 0.37 H new ATOM 0 HG21 VAL A 56 1.684 0.810 -4.589 1.00 0.56 H new ATOM 0 HG22 VAL A 56 3.186 1.581 -4.026 1.00 0.56 H new ATOM 0 HG23 VAL A 56 3.205 0.549 -5.475 1.00 0.56 H new ATOM 837 N GLU A 57 4.531 -3.135 -3.096 1.00 0.19 N ATOM 838 CA GLU A 57 4.819 -4.370 -2.380 1.00 0.18 C ATOM 839 C GLU A 57 6.223 -4.366 -1.807 1.00 0.18 C ATOM 840 O GLU A 57 6.349 -4.477 -0.599 1.00 0.22 O ATOM 841 CB GLU A 57 4.575 -5.604 -3.239 1.00 0.26 C ATOM 842 CG GLU A 57 5.129 -6.875 -2.575 1.00 0.37 C ATOM 843 CD GLU A 57 4.542 -8.165 -3.127 1.00 1.28 C ATOM 844 OE1 GLU A 57 3.660 -8.073 -4.006 1.00 2.43 O ATOM 845 OE2 GLU A 57 4.981 -9.221 -2.621 1.00 2.25 O ATOM 0 H GLU A 57 4.064 -3.271 -3.993 1.00 0.19 H new ATOM 0 HA GLU A 57 4.120 -4.420 -1.545 1.00 0.18 H new ATOM 0 HB2 GLU A 57 3.505 -5.721 -3.413 1.00 0.26 H new ATOM 0 HB3 GLU A 57 5.044 -5.468 -4.214 1.00 0.26 H new ATOM 0 HG2 GLU A 57 6.211 -6.897 -2.701 1.00 0.37 H new ATOM 0 HG3 GLU A 57 4.934 -6.828 -1.504 1.00 0.37 H new ATOM 852 N SER A 58 7.259 -4.208 -2.633 1.00 0.18 N ATOM 853 CA SER A 58 8.637 -4.164 -2.154 1.00 0.21 C ATOM 854 C SER A 58 8.766 -3.222 -0.943 1.00 0.21 C ATOM 855 O SER A 58 9.349 -3.577 0.084 1.00 0.26 O ATOM 856 CB SER A 58 9.555 -3.755 -3.313 1.00 0.25 C ATOM 857 OG SER A 58 10.914 -3.862 -2.937 1.00 0.54 O ATOM 0 H SER A 58 7.166 -4.108 -3.644 1.00 0.18 H new ATOM 0 HA SER A 58 8.942 -5.152 -1.808 1.00 0.21 H new ATOM 0 HB2 SER A 58 9.361 -4.389 -4.178 1.00 0.25 H new ATOM 0 HB3 SER A 58 9.335 -2.730 -3.613 1.00 0.25 H new ATOM 0 HG SER A 58 11.483 -3.599 -3.690 1.00 0.54 H new ATOM 863 N ALA A 59 8.164 -2.033 -1.043 1.00 0.21 N ATOM 864 CA ALA A 59 8.196 -1.047 0.023 1.00 0.22 C ATOM 865 C ALA A 59 7.488 -1.545 1.286 1.00 0.22 C ATOM 866 O ALA A 59 8.043 -1.432 2.370 1.00 0.26 O ATOM 867 CB ALA A 59 7.573 0.255 -0.467 1.00 0.23 C ATOM 0 H ALA A 59 7.643 -1.734 -1.868 1.00 0.21 H new ATOM 0 HA ALA A 59 9.238 -0.872 0.292 1.00 0.22 H new ATOM 0 HB1 ALA A 59 7.598 0.994 0.334 1.00 0.23 H new ATOM 0 HB2 ALA A 59 8.136 0.628 -1.323 1.00 0.23 H new ATOM 0 HB3 ALA A 59 6.540 0.075 -0.763 1.00 0.23 H new ATOM 873 N LEU A 60 6.267 -2.072 1.170 1.00 0.21 N ATOM 874 CA LEU A 60 5.476 -2.603 2.278 1.00 0.24 C ATOM 875 C LEU A 60 6.206 -3.767 2.944 1.00 0.21 C ATOM 876 O LEU A 60 6.312 -3.845 4.171 1.00 0.24 O ATOM 877 CB LEU A 60 4.108 -3.051 1.737 1.00 0.28 C ATOM 878 CG LEU A 60 3.047 -1.952 1.696 1.00 0.53 C ATOM 879 CD1 LEU A 60 2.409 -1.835 3.074 1.00 2.47 C ATOM 880 CD2 LEU A 60 3.593 -0.599 1.265 1.00 1.96 C ATOM 0 H LEU A 60 5.788 -2.142 0.272 1.00 0.21 H new ATOM 0 HA LEU A 60 5.331 -1.830 3.033 1.00 0.24 H new ATOM 0 HB2 LEU A 60 4.242 -3.445 0.730 1.00 0.28 H new ATOM 0 HB3 LEU A 60 3.739 -3.871 2.354 1.00 0.28 H new ATOM 0 HG LEU A 60 2.311 -2.238 0.944 1.00 0.53 H new ATOM 0 HD11 LEU A 60 1.649 -1.053 3.058 1.00 2.47 H new ATOM 0 HD12 LEU A 60 1.947 -2.785 3.343 1.00 2.47 H new ATOM 0 HD13 LEU A 60 3.174 -1.583 3.809 1.00 2.47 H new ATOM 0 HD21 LEU A 60 2.786 0.134 1.258 1.00 1.96 H new ATOM 0 HD22 LEU A 60 4.367 -0.280 1.963 1.00 1.96 H new ATOM 0 HD23 LEU A 60 4.018 -0.680 0.265 1.00 1.96 H new ATOM 892 N GLN A 61 6.734 -4.660 2.110 1.00 0.20 N ATOM 893 CA GLN A 61 7.561 -5.772 2.554 1.00 0.28 C ATOM 894 C GLN A 61 8.701 -5.236 3.418 1.00 0.31 C ATOM 895 O GLN A 61 8.859 -5.658 4.562 1.00 0.36 O ATOM 896 CB GLN A 61 8.054 -6.600 1.353 1.00 0.35 C ATOM 897 CG GLN A 61 7.694 -8.092 1.470 1.00 0.49 C ATOM 898 CD GLN A 61 7.401 -8.701 0.101 1.00 1.12 C ATOM 899 OE1 GLN A 61 8.317 -9.012 -0.653 1.00 2.44 O ATOM 900 NE2 GLN A 61 6.120 -8.862 -0.215 1.00 0.73 N ATOM 0 H GLN A 61 6.597 -4.629 1.100 1.00 0.20 H new ATOM 0 HA GLN A 61 6.972 -6.454 3.168 1.00 0.28 H new ATOM 0 HB2 GLN A 61 7.621 -6.197 0.437 1.00 0.35 H new ATOM 0 HB3 GLN A 61 9.136 -6.498 1.266 1.00 0.35 H new ATOM 0 HG2 GLN A 61 8.516 -8.631 1.942 1.00 0.49 H new ATOM 0 HG3 GLN A 61 6.824 -8.209 2.116 1.00 0.49 H new ATOM 0 HE21 GLN A 61 5.393 -8.588 0.446 1.00 0.73 H new ATOM 0 HE22 GLN A 61 5.864 -9.260 -1.119 1.00 0.73 H new ATOM 909 N LYS A 62 9.461 -4.267 2.900 1.00 0.32 N ATOM 910 CA LYS A 62 10.539 -3.663 3.664 1.00 0.39 C ATOM 911 C LYS A 62 10.014 -2.958 4.925 1.00 0.40 C ATOM 912 O LYS A 62 10.652 -3.011 5.974 1.00 0.48 O ATOM 913 CB LYS A 62 11.328 -2.697 2.773 1.00 0.50 C ATOM 914 CG LYS A 62 12.609 -2.250 3.487 1.00 1.41 C ATOM 915 CD LYS A 62 13.278 -1.099 2.730 1.00 1.75 C ATOM 916 CE LYS A 62 14.455 -0.513 3.525 1.00 3.01 C ATOM 917 NZ LYS A 62 14.027 0.114 4.795 1.00 4.08 N ATOM 0 H LYS A 62 9.345 -3.890 1.959 1.00 0.32 H new ATOM 0 HA LYS A 62 11.208 -4.455 4.001 1.00 0.39 H new ATOM 0 HB2 LYS A 62 11.578 -3.182 1.830 1.00 0.50 H new ATOM 0 HB3 LYS A 62 10.715 -1.829 2.532 1.00 0.50 H new ATOM 0 HG2 LYS A 62 12.373 -1.935 4.504 1.00 1.41 H new ATOM 0 HG3 LYS A 62 13.299 -3.090 3.566 1.00 1.41 H new ATOM 0 HD2 LYS A 62 13.632 -1.455 1.763 1.00 1.75 H new ATOM 0 HD3 LYS A 62 12.545 -0.317 2.533 1.00 1.75 H new ATOM 0 HE2 LYS A 62 15.174 -1.304 3.739 1.00 3.01 H new ATOM 0 HE3 LYS A 62 14.969 0.228 2.913 1.00 3.01 H new ATOM 0 HZ1 LYS A 62 14.796 0.707 5.166 1.00 4.08 H new ATOM 0 HZ2 LYS A 62 13.187 0.703 4.626 1.00 4.08 H new ATOM 0 HZ3 LYS A 62 13.797 -0.627 5.488 1.00 4.08 H new ATOM 931 N ALA A 63 8.889 -2.245 4.812 1.00 0.36 N ATOM 932 CA ALA A 63 8.278 -1.491 5.899 1.00 0.43 C ATOM 933 C ALA A 63 7.915 -2.417 7.058 1.00 0.45 C ATOM 934 O ALA A 63 7.955 -1.998 8.213 1.00 0.60 O ATOM 935 CB ALA A 63 7.049 -0.729 5.397 1.00 0.43 C ATOM 0 H ALA A 63 8.369 -2.178 3.937 1.00 0.36 H new ATOM 0 HA ALA A 63 9.001 -0.762 6.266 1.00 0.43 H new ATOM 0 HB1 ALA A 63 6.605 -0.171 6.221 1.00 0.43 H new ATOM 0 HB2 ALA A 63 7.347 -0.037 4.609 1.00 0.43 H new ATOM 0 HB3 ALA A 63 6.319 -1.436 5.002 1.00 0.43 H new ATOM 941 N GLY A 64 7.586 -3.670 6.738 1.00 0.38 N ATOM 942 CA GLY A 64 7.524 -4.760 7.696 1.00 0.40 C ATOM 943 C GLY A 64 6.118 -5.334 7.785 1.00 0.38 C ATOM 944 O GLY A 64 5.628 -5.588 8.883 1.00 0.51 O ATOM 0 H GLY A 64 7.352 -3.954 5.787 1.00 0.38 H new ATOM 0 HA2 GLY A 64 8.222 -5.544 7.404 1.00 0.40 H new ATOM 0 HA3 GLY A 64 7.837 -4.404 8.677 1.00 0.40 H new ATOM 948 N TYR A 65 5.477 -5.558 6.634 1.00 0.33 N ATOM 949 CA TYR A 65 4.188 -6.226 6.559 1.00 0.39 C ATOM 950 C TYR A 65 4.239 -7.199 5.392 1.00 0.38 C ATOM 951 O TYR A 65 4.869 -6.903 4.379 1.00 0.83 O ATOM 952 CB TYR A 65 3.064 -5.206 6.344 1.00 0.59 C ATOM 953 CG TYR A 65 3.154 -3.981 7.230 1.00 0.69 C ATOM 954 CD1 TYR A 65 2.761 -4.054 8.580 1.00 2.16 C ATOM 955 CD2 TYR A 65 3.805 -2.830 6.751 1.00 1.48 C ATOM 956 CE1 TYR A 65 3.052 -2.991 9.453 1.00 2.27 C ATOM 957 CE2 TYR A 65 4.101 -1.772 7.625 1.00 1.51 C ATOM 958 CZ TYR A 65 3.754 -1.869 8.983 1.00 1.04 C ATOM 959 OH TYR A 65 4.129 -0.883 9.846 1.00 1.31 O ATOM 0 H TYR A 65 5.846 -5.276 5.726 1.00 0.33 H new ATOM 0 HA TYR A 65 3.984 -6.754 7.491 1.00 0.39 H new ATOM 0 HB2 TYR A 65 3.073 -4.887 5.302 1.00 0.59 H new ATOM 0 HB3 TYR A 65 2.106 -5.696 6.519 1.00 0.59 H new ATOM 0 HD1 TYR A 65 2.237 -4.925 8.944 1.00 2.16 H new ATOM 0 HD2 TYR A 65 4.078 -2.760 5.708 1.00 1.48 H new ATOM 0 HE1 TYR A 65 2.736 -3.037 10.485 1.00 2.27 H new ATOM 0 HE2 TYR A 65 4.594 -0.886 7.254 1.00 1.51 H new ATOM 0 HH TYR A 65 4.606 -0.182 9.355 1.00 1.31 H new ATOM 969 N SER A 66 3.566 -8.343 5.508 1.00 0.47 N ATOM 970 CA SER A 66 3.315 -9.185 4.358 1.00 0.41 C ATOM 971 C SER A 66 2.018 -8.677 3.737 1.00 0.42 C ATOM 972 O SER A 66 1.053 -8.409 4.456 1.00 0.60 O ATOM 973 CB SER A 66 3.237 -10.655 4.791 1.00 0.60 C ATOM 974 OG SER A 66 2.577 -10.793 6.035 1.00 1.50 O ATOM 0 H SER A 66 3.190 -8.700 6.386 1.00 0.47 H new ATOM 0 HA SER A 66 4.116 -9.138 3.621 1.00 0.41 H new ATOM 0 HB2 SER A 66 2.709 -11.232 4.032 1.00 0.60 H new ATOM 0 HB3 SER A 66 4.243 -11.068 4.863 1.00 0.60 H new ATOM 0 HG SER A 66 2.541 -11.740 6.283 1.00 1.50 H new ATOM 980 N LEU A 67 2.004 -8.525 2.412 1.00 0.43 N ATOM 981 CA LEU A 67 0.784 -8.321 1.659 1.00 0.44 C ATOM 982 C LEU A 67 0.736 -9.315 0.514 1.00 0.47 C ATOM 983 O LEU A 67 1.685 -10.066 0.295 1.00 0.49 O ATOM 984 CB LEU A 67 0.626 -6.867 1.181 1.00 0.44 C ATOM 985 CG LEU A 67 1.766 -6.256 0.360 1.00 0.53 C ATOM 986 CD1 LEU A 67 1.882 -6.924 -1.008 1.00 0.75 C ATOM 987 CD2 LEU A 67 1.444 -4.762 0.249 1.00 0.95 C ATOM 0 H LEU A 67 2.846 -8.541 1.837 1.00 0.43 H new ATOM 0 HA LEU A 67 -0.068 -8.500 2.315 1.00 0.44 H new ATOM 0 HB2 LEU A 67 -0.285 -6.808 0.585 1.00 0.44 H new ATOM 0 HB3 LEU A 67 0.473 -6.240 2.060 1.00 0.44 H new ATOM 0 HG LEU A 67 2.734 -6.409 0.837 1.00 0.53 H new ATOM 0 HD11 LEU A 67 2.700 -6.469 -1.567 1.00 0.75 H new ATOM 0 HD12 LEU A 67 2.080 -7.988 -0.878 1.00 0.75 H new ATOM 0 HD13 LEU A 67 0.950 -6.793 -1.557 1.00 0.75 H new ATOM 0 HD21 LEU A 67 2.223 -4.264 -0.328 1.00 0.95 H new ATOM 0 HD22 LEU A 67 0.484 -4.633 -0.250 1.00 0.95 H new ATOM 0 HD23 LEU A 67 1.396 -4.325 1.246 1.00 0.95 H new ATOM 999 N ARG A 68 -0.380 -9.301 -0.209 1.00 0.60 N ATOM 1000 CA ARG A 68 -0.539 -9.963 -1.484 1.00 0.72 C ATOM 1001 C ARG A 68 -1.060 -8.896 -2.429 1.00 0.85 C ATOM 1002 O ARG A 68 -1.991 -8.175 -2.051 1.00 1.18 O ATOM 1003 CB ARG A 68 -1.540 -11.110 -1.333 1.00 0.89 C ATOM 1004 CG ARG A 68 -0.981 -12.132 -0.342 1.00 0.62 C ATOM 1005 CD ARG A 68 -1.883 -13.366 -0.228 1.00 1.32 C ATOM 1006 NE ARG A 68 -1.116 -14.548 0.199 1.00 1.58 N ATOM 1007 CZ ARG A 68 -0.314 -15.265 -0.608 1.00 2.24 C ATOM 1008 NH1 ARG A 68 -0.149 -14.891 -1.882 1.00 3.03 N ATOM 1009 NH2 ARG A 68 0.321 -16.344 -0.138 1.00 2.95 N ATOM 0 H ARG A 68 -1.222 -8.810 0.093 1.00 0.60 H new ATOM 0 HA ARG A 68 0.390 -10.393 -1.859 1.00 0.72 H new ATOM 0 HB2 ARG A 68 -2.499 -10.729 -0.980 1.00 0.89 H new ATOM 0 HB3 ARG A 68 -1.720 -11.582 -2.299 1.00 0.89 H new ATOM 0 HG2 ARG A 68 0.016 -12.438 -0.659 1.00 0.62 H new ATOM 0 HG3 ARG A 68 -0.875 -11.667 0.638 1.00 0.62 H new ATOM 0 HD2 ARG A 68 -2.683 -13.171 0.486 1.00 1.32 H new ATOM 0 HD3 ARG A 68 -2.356 -13.564 -1.190 1.00 1.32 H new ATOM 0 HE ARG A 68 -1.198 -14.843 1.172 1.00 1.58 H new ATOM 0 HH11 ARG A 68 -0.631 -14.065 -2.238 1.00 3.03 H new ATOM 0 HH12 ARG A 68 0.458 -15.432 -2.498 1.00 3.03 H new ATOM 0 HH21 ARG A 68 0.198 -16.625 0.835 1.00 2.95 H new ATOM 0 HH22 ARG A 68 0.929 -16.886 -0.752 1.00 2.95 H new ATOM 1023 N ASP A 69 -0.464 -8.769 -3.615 1.00 0.71 N ATOM 1024 CA ASP A 69 -0.971 -7.864 -4.606 1.00 0.81 C ATOM 1025 C ASP A 69 -2.281 -8.432 -5.109 1.00 0.63 C ATOM 1026 O ASP A 69 -2.454 -9.634 -5.311 1.00 0.84 O ATOM 1027 CB ASP A 69 0.010 -7.622 -5.750 1.00 1.16 C ATOM 1028 CG ASP A 69 0.130 -8.805 -6.696 1.00 1.44 C ATOM 1029 OD1 ASP A 69 0.442 -9.909 -6.204 1.00 2.37 O ATOM 1030 OD2 ASP A 69 -0.109 -8.558 -7.901 1.00 2.36 O ATOM 0 H ASP A 69 0.368 -9.287 -3.898 1.00 0.71 H new ATOM 0 HA ASP A 69 -1.122 -6.884 -4.154 1.00 0.81 H new ATOM 0 HB2 ASP A 69 -0.308 -6.745 -6.314 1.00 1.16 H new ATOM 0 HB3 ASP A 69 0.992 -7.395 -5.336 1.00 1.16 H new ATOM 1035 N GLU A 70 -3.236 -7.531 -5.206 1.00 0.69 N ATOM 1036 CA GLU A 70 -4.592 -7.845 -5.571 1.00 0.67 C ATOM 1037 C GLU A 70 -4.830 -7.542 -7.054 1.00 0.64 C ATOM 1038 O GLU A 70 -4.023 -6.888 -7.719 1.00 0.74 O ATOM 1039 CB GLU A 70 -5.489 -7.029 -4.644 1.00 0.89 C ATOM 1040 CG GLU A 70 -6.583 -7.802 -3.946 1.00 0.97 C ATOM 1041 CD GLU A 70 -7.769 -7.966 -4.870 1.00 1.78 C ATOM 1042 OE1 GLU A 70 -7.708 -8.939 -5.652 1.00 2.59 O ATOM 1043 OE2 GLU A 70 -8.654 -7.085 -4.819 1.00 3.00 O ATOM 0 H GLU A 70 -3.082 -6.538 -5.028 1.00 0.69 H new ATOM 0 HA GLU A 70 -4.814 -8.905 -5.452 1.00 0.67 H new ATOM 0 HB2 GLU A 70 -4.864 -6.556 -3.887 1.00 0.89 H new ATOM 0 HB3 GLU A 70 -5.948 -6.229 -5.224 1.00 0.89 H new ATOM 0 HG2 GLU A 70 -6.211 -8.780 -3.641 1.00 0.97 H new ATOM 0 HG3 GLU A 70 -6.887 -7.280 -3.039 1.00 0.97 H new ATOM 1050 N GLN A 71 -5.975 -7.997 -7.557 1.00 0.64 N ATOM 1051 CA GLN A 71 -6.510 -7.615 -8.856 1.00 0.69 C ATOM 1052 C GLN A 71 -6.614 -6.088 -8.915 1.00 0.76 C ATOM 1053 O GLN A 71 -7.187 -5.473 -8.011 1.00 1.17 O ATOM 1054 CB GLN A 71 -7.862 -8.325 -9.047 1.00 0.70 C ATOM 1055 CG GLN A 71 -8.822 -7.732 -10.098 1.00 2.37 C ATOM 1056 CD GLN A 71 -10.060 -7.116 -9.441 1.00 3.35 C ATOM 1057 OE1 GLN A 71 -11.194 -7.482 -9.725 1.00 3.98 O ATOM 1058 NE2 GLN A 71 -9.873 -6.215 -8.480 1.00 4.11 N ATOM 0 H GLN A 71 -6.570 -8.658 -7.058 1.00 0.64 H new ATOM 0 HA GLN A 71 -5.860 -7.922 -9.675 1.00 0.69 H new ATOM 0 HB2 GLN A 71 -7.665 -9.363 -9.316 1.00 0.70 H new ATOM 0 HB3 GLN A 71 -8.377 -8.337 -8.086 1.00 0.70 H new ATOM 0 HG2 GLN A 71 -8.301 -6.972 -10.680 1.00 2.37 H new ATOM 0 HG3 GLN A 71 -9.128 -8.513 -10.794 1.00 2.37 H new ATOM 0 HE21 GLN A 71 -8.929 -5.910 -8.243 1.00 4.11 H new ATOM 0 HE22 GLN A 71 -10.674 -5.829 -7.980 1.00 4.11 H new ATOM 1067 N ALA A 72 -6.071 -5.485 -9.981 1.00 0.90 N ATOM 1068 CA ALA A 72 -6.030 -4.040 -10.169 1.00 1.06 C ATOM 1069 C ALA A 72 -7.411 -3.427 -9.934 1.00 1.24 C ATOM 1070 O ALA A 72 -7.643 -2.809 -8.893 1.00 1.63 O ATOM 1071 CB ALA A 72 -5.477 -3.707 -11.559 1.00 1.31 C ATOM 0 H ALA A 72 -5.642 -6.003 -10.748 1.00 0.90 H new ATOM 0 HA ALA A 72 -5.357 -3.600 -9.433 1.00 1.06 H new ATOM 0 HB1 ALA A 72 -5.450 -2.625 -11.690 1.00 1.31 H new ATOM 0 HB2 ALA A 72 -4.469 -4.109 -11.655 1.00 1.31 H new ATOM 0 HB3 ALA A 72 -6.118 -4.149 -12.321 1.00 1.31 H new ATOM 1077 N ALA A 73 -8.334 -3.672 -10.863 1.00 2.02 N ATOM 1078 CA ALA A 73 -9.760 -3.421 -10.763 1.00 2.29 C ATOM 1079 C ALA A 73 -10.391 -4.055 -11.997 1.00 3.06 C ATOM 1080 O ALA A 73 -9.791 -3.955 -13.068 1.00 4.17 O ATOM 1081 CB ALA A 73 -10.061 -1.919 -10.733 1.00 2.13 C ATOM 0 H ALA A 73 -8.082 -4.079 -11.764 1.00 2.02 H new ATOM 0 HA ALA A 73 -10.160 -3.841 -9.840 1.00 2.29 H new ATOM 0 HB1 ALA A 73 -11.137 -1.765 -10.658 1.00 2.13 H new ATOM 0 HB2 ALA A 73 -9.569 -1.466 -9.872 1.00 2.13 H new ATOM 0 HB3 ALA A 73 -9.691 -1.455 -11.648 1.00 2.13 H new ATOM 1087 N GLU A 74 -11.562 -4.677 -11.829 1.00 3.00 N ATOM 1088 CA GLU A 74 -12.236 -5.466 -12.852 1.00 3.61 C ATOM 1089 C GLU A 74 -11.519 -6.816 -13.028 1.00 3.99 C ATOM 1090 O GLU A 74 -12.197 -7.768 -13.473 1.00 5.00 O ATOM 1091 CB GLU A 74 -12.391 -4.658 -14.159 1.00 5.49 C ATOM 1092 CG GLU A 74 -13.706 -4.937 -14.899 1.00 6.61 C ATOM 1093 CD GLU A 74 -13.851 -4.030 -16.115 1.00 8.68 C ATOM 1094 OE1 GLU A 74 -13.319 -4.408 -17.182 1.00 9.84 O ATOM 1095 OE2 GLU A 74 -14.481 -2.962 -15.952 1.00 9.41 O ATOM 1096 OXT GLU A 74 -10.317 -6.893 -12.679 1.00 4.47 O ATOM 0 H GLU A 74 -12.078 -4.641 -10.950 1.00 3.00 H new ATOM 0 HA GLU A 74 -13.253 -5.696 -12.534 1.00 3.61 H new ATOM 0 HB2 GLU A 74 -12.332 -3.594 -13.928 1.00 5.49 H new ATOM 0 HB3 GLU A 74 -11.555 -4.888 -14.820 1.00 5.49 H new ATOM 0 HG2 GLU A 74 -13.736 -5.980 -15.213 1.00 6.61 H new ATOM 0 HG3 GLU A 74 -14.547 -4.783 -14.223 1.00 6.61 H new TER 1103 GLU A 74