USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 545 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 58 SER OG : rot 180:sc= 0.914 USER MOD Set 1.2: A 62 LYS NZ :NH3+ -127:sc= 2 (180deg=0.265) USER MOD Set 2.1: A 4 THR OG1 : rot 81:sc= 0.0575 USER MOD Set 2.2: A 6 TYR OH : rot -112:sc= 0.0339 USER MOD Single : A 2 SER OG : rot -51:sc= 0.551 USER MOD Single : A 7 SER OG : rot 25:sc= -0.0255 USER MOD Single : A 9 LYS NZ :NH3+ -109:sc= 1.09 (180deg=-0.828) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -132:sc= -0.161 (180deg=-0.619) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0242) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.35 K(o=0.35,f=-0.41) USER MOD Single : A 34 GLN : amide:sc= 0.941 K(o=0.94,f=-0.13) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00263) USER MOD Single : A 50 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.0022) USER MOD Single : A 55 GLN : amide:sc= 0.0761 K(o=0.076,f=-7.6!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.08 K(o=-1.1,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 1.592 2.000 18.692 1.00 3.49 N ATOM 2 CA SER A 2 0.941 0.844 19.305 1.00 2.37 C ATOM 3 C SER A 2 -0.099 0.197 18.376 1.00 1.60 C ATOM 4 O SER A 2 -1.233 -0.018 18.800 1.00 2.58 O ATOM 5 CB SER A 2 0.299 1.289 20.632 1.00 3.89 C ATOM 6 OG SER A 2 -0.270 0.189 21.309 1.00 4.30 O ATOM 0 HA SER A 2 1.694 0.078 19.493 1.00 2.37 H new ATOM 0 HB2 SER A 2 1.051 1.761 21.264 1.00 3.89 H new ATOM 0 HB3 SER A 2 -0.469 2.038 20.436 1.00 3.89 H new ATOM 0 HG SER A 2 -0.861 -0.300 20.699 1.00 4.30 H new ATOM 12 N GLY A 3 0.300 -0.130 17.146 1.00 1.16 N ATOM 13 CA GLY A 3 -0.547 -0.743 16.135 1.00 0.83 C ATOM 14 C GLY A 3 0.148 -1.968 15.556 1.00 0.79 C ATOM 15 O GLY A 3 0.914 -2.632 16.254 1.00 1.13 O ATOM 0 H GLY A 3 1.253 0.032 16.821 1.00 1.16 H new ATOM 0 HA2 GLY A 3 -1.503 -1.029 16.573 1.00 0.83 H new ATOM 0 HA3 GLY A 3 -0.761 -0.026 15.342 1.00 0.83 H new ATOM 19 N THR A 4 -0.078 -2.241 14.270 1.00 0.60 N ATOM 20 CA THR A 4 0.653 -3.249 13.515 1.00 0.57 C ATOM 21 C THR A 4 1.333 -2.519 12.367 1.00 0.69 C ATOM 22 O THR A 4 0.863 -1.447 12.002 1.00 1.26 O ATOM 23 CB THR A 4 -0.303 -4.324 12.961 1.00 0.66 C ATOM 24 OG1 THR A 4 -1.554 -4.337 13.620 1.00 1.08 O ATOM 25 CG2 THR A 4 0.337 -5.708 13.094 1.00 0.97 C ATOM 0 H THR A 4 -0.787 -1.757 13.718 1.00 0.60 H new ATOM 0 HA THR A 4 1.376 -3.758 14.153 1.00 0.57 H new ATOM 0 HB THR A 4 -0.479 -4.076 11.914 1.00 0.66 H new ATOM 0 HG1 THR A 4 -2.122 -3.625 13.258 1.00 1.08 H new ATOM 0 HG21 THR A 4 -0.344 -6.463 12.701 1.00 0.97 H new ATOM 0 HG22 THR A 4 1.270 -5.733 12.532 1.00 0.97 H new ATOM 0 HG23 THR A 4 0.541 -5.915 14.145 1.00 0.97 H new ATOM 33 N ARG A 5 2.390 -3.096 11.785 1.00 0.45 N ATOM 34 CA ARG A 5 3.007 -2.582 10.578 1.00 0.41 C ATOM 35 C ARG A 5 3.003 -3.714 9.563 1.00 0.33 C ATOM 36 O ARG A 5 3.441 -4.822 9.876 1.00 0.42 O ATOM 37 CB ARG A 5 4.420 -2.076 10.889 1.00 0.60 C ATOM 38 CG ARG A 5 5.055 -1.382 9.678 1.00 0.92 C ATOM 39 CD ARG A 5 5.655 -2.336 8.629 1.00 0.75 C ATOM 40 NE ARG A 5 7.109 -2.138 8.494 1.00 1.37 N ATOM 41 CZ ARG A 5 8.049 -2.864 9.120 1.00 1.11 C ATOM 42 NH1 ARG A 5 7.695 -3.730 10.070 1.00 2.37 N ATOM 43 NH2 ARG A 5 9.330 -2.738 8.774 1.00 1.62 N ATOM 0 H ARG A 5 2.837 -3.938 12.148 1.00 0.45 H new ATOM 0 HA ARG A 5 2.461 -1.731 10.171 1.00 0.41 H new ATOM 0 HB2 ARG A 5 4.381 -1.381 11.727 1.00 0.60 H new ATOM 0 HB3 ARG A 5 5.046 -2.913 11.198 1.00 0.60 H new ATOM 0 HG2 ARG A 5 4.300 -0.762 9.195 1.00 0.92 H new ATOM 0 HG3 ARG A 5 5.839 -0.712 10.031 1.00 0.92 H new ATOM 0 HD2 ARG A 5 5.451 -3.368 8.914 1.00 0.75 H new ATOM 0 HD3 ARG A 5 5.172 -2.171 7.666 1.00 0.75 H new ATOM 0 HE ARG A 5 7.426 -1.391 7.876 1.00 1.37 H new ATOM 0 HH11 ARG A 5 6.712 -3.840 10.320 1.00 2.37 H new ATOM 0 HH12 ARG A 5 8.407 -4.283 10.547 1.00 2.37 H new ATOM 0 HH21 ARG A 5 9.597 -2.090 8.033 1.00 1.62 H new ATOM 0 HH22 ARG A 5 10.044 -3.290 9.250 1.00 1.62 H new ATOM 57 N TYR A 6 2.518 -3.437 8.356 1.00 0.39 N ATOM 58 CA TYR A 6 2.436 -4.375 7.253 1.00 0.32 C ATOM 59 C TYR A 6 3.210 -3.788 6.081 1.00 0.34 C ATOM 60 O TYR A 6 3.232 -2.566 5.952 1.00 0.56 O ATOM 61 CB TYR A 6 0.969 -4.509 6.854 1.00 0.34 C ATOM 62 CG TYR A 6 -0.013 -4.808 7.958 1.00 0.43 C ATOM 63 CD1 TYR A 6 0.273 -5.765 8.947 1.00 1.81 C ATOM 64 CD2 TYR A 6 -1.303 -4.263 7.864 1.00 1.78 C ATOM 65 CE1 TYR A 6 -0.704 -6.092 9.901 1.00 1.90 C ATOM 66 CE2 TYR A 6 -2.295 -4.638 8.776 1.00 1.76 C ATOM 67 CZ TYR A 6 -1.973 -5.485 9.849 1.00 0.73 C ATOM 68 OH TYR A 6 -2.905 -5.750 10.806 1.00 1.04 O ATOM 0 H TYR A 6 2.158 -2.514 8.115 1.00 0.39 H new ATOM 0 HA TYR A 6 2.844 -5.347 7.532 1.00 0.32 H new ATOM 0 HB2 TYR A 6 0.663 -3.582 6.370 1.00 0.34 H new ATOM 0 HB3 TYR A 6 0.891 -5.299 6.107 1.00 0.34 H new ATOM 0 HD1 TYR A 6 1.239 -6.246 8.973 1.00 1.81 H new ATOM 0 HD2 TYR A 6 -1.531 -3.551 7.084 1.00 1.78 H new ATOM 0 HE1 TYR A 6 -0.481 -6.810 10.676 1.00 1.90 H new ATOM 0 HE2 TYR A 6 -3.306 -4.277 8.655 1.00 1.76 H new ATOM 0 HH TYR A 6 -3.649 -6.249 10.409 1.00 1.04 H new ATOM 78 N SER A 7 3.820 -4.621 5.234 1.00 0.33 N ATOM 79 CA SER A 7 4.485 -4.187 4.012 1.00 0.27 C ATOM 80 C SER A 7 3.966 -4.996 2.836 1.00 0.17 C ATOM 81 O SER A 7 3.463 -6.105 3.002 1.00 0.20 O ATOM 82 CB SER A 7 6.000 -4.367 4.170 1.00 0.39 C ATOM 83 OG SER A 7 6.711 -3.817 3.080 1.00 1.89 O ATOM 0 H SER A 7 3.864 -5.629 5.384 1.00 0.33 H new ATOM 0 HA SER A 7 4.274 -3.134 3.826 1.00 0.27 H new ATOM 0 HB2 SER A 7 6.328 -3.892 5.095 1.00 0.39 H new ATOM 0 HB3 SER A 7 6.233 -5.428 4.257 1.00 0.39 H new ATOM 0 HG SER A 7 6.175 -3.111 2.663 1.00 1.89 H new ATOM 89 N TRP A 8 4.125 -4.433 1.642 1.00 0.16 N ATOM 90 CA TRP A 8 3.996 -5.180 0.405 1.00 0.17 C ATOM 91 C TRP A 8 5.154 -4.777 -0.484 1.00 0.18 C ATOM 92 O TRP A 8 5.543 -3.607 -0.477 1.00 0.20 O ATOM 93 CB TRP A 8 2.659 -4.880 -0.281 1.00 0.28 C ATOM 94 CG TRP A 8 1.482 -5.193 0.577 1.00 0.21 C ATOM 95 CD1 TRP A 8 0.753 -6.323 0.594 1.00 0.36 C ATOM 96 CD2 TRP A 8 0.934 -4.452 1.680 1.00 0.26 C ATOM 97 NE1 TRP A 8 0.105 -6.396 1.825 1.00 0.35 N ATOM 98 CE2 TRP A 8 0.565 -5.375 2.671 1.00 0.23 C ATOM 99 CE3 TRP A 8 0.220 -3.251 1.821 1.00 0.29 C ATOM 100 CZ2 TRP A 8 0.242 -4.769 3.914 1.00 0.28 C ATOM 101 CZ3 TRP A 8 -0.954 -3.303 2.621 1.00 0.37 C ATOM 102 CH2 TRP A 8 -0.783 -3.829 3.879 1.00 0.32 C ATOM 0 H TRP A 8 4.347 -3.446 1.510 1.00 0.16 H new ATOM 0 HA TRP A 8 4.017 -6.251 0.605 1.00 0.17 H new ATOM 0 HB2 TRP A 8 2.628 -3.827 -0.560 1.00 0.28 H new ATOM 0 HB3 TRP A 8 2.593 -5.457 -1.204 1.00 0.28 H new ATOM 0 HD1 TRP A 8 0.682 -7.046 -0.205 1.00 0.36 H new ATOM 0 HE1 TRP A 8 -0.600 -7.089 2.075 1.00 0.35 H new ATOM 0 HE3 TRP A 8 0.545 -2.337 1.347 1.00 0.29 H new ATOM 0 HZ2 TRP A 8 0.759 -5.022 4.828 1.00 0.28 H new ATOM 0 HZ3 TRP A 8 -1.912 -2.954 2.265 1.00 0.37 H new ATOM 0 HH2 TRP A 8 -1.374 -3.546 4.738 1.00 0.32 H new ATOM 113 N LYS A 9 5.677 -5.742 -1.242 1.00 0.26 N ATOM 114 CA LYS A 9 6.671 -5.493 -2.267 1.00 0.26 C ATOM 115 C LYS A 9 5.908 -5.445 -3.575 1.00 0.36 C ATOM 116 O LYS A 9 4.954 -6.205 -3.741 1.00 0.47 O ATOM 117 CB LYS A 9 7.757 -6.576 -2.252 1.00 0.36 C ATOM 118 CG LYS A 9 7.353 -7.938 -2.848 1.00 0.82 C ATOM 119 CD LYS A 9 7.850 -9.047 -1.923 1.00 0.63 C ATOM 120 CE LYS A 9 8.009 -10.422 -2.578 1.00 1.79 C ATOM 121 NZ LYS A 9 8.280 -11.441 -1.541 1.00 2.62 N ATOM 0 H LYS A 9 5.415 -6.724 -1.155 1.00 0.26 H new ATOM 0 HA LYS A 9 7.204 -4.556 -2.105 1.00 0.26 H new ATOM 0 HB2 LYS A 9 8.623 -6.203 -2.799 1.00 0.36 H new ATOM 0 HB3 LYS A 9 8.074 -6.731 -1.221 1.00 0.36 H new ATOM 0 HG2 LYS A 9 6.270 -7.995 -2.958 1.00 0.82 H new ATOM 0 HG3 LYS A 9 7.781 -8.056 -3.843 1.00 0.82 H new ATOM 0 HD2 LYS A 9 8.812 -8.747 -1.507 1.00 0.63 H new ATOM 0 HD3 LYS A 9 7.156 -9.139 -1.087 1.00 0.63 H new ATOM 0 HE2 LYS A 9 7.104 -10.680 -3.127 1.00 1.79 H new ATOM 0 HE3 LYS A 9 8.825 -10.399 -3.301 1.00 1.79 H new ATOM 0 HZ1 LYS A 9 9.268 -11.757 -1.614 1.00 2.62 H new ATOM 0 HZ2 LYS A 9 8.117 -11.030 -0.600 1.00 2.62 H new ATOM 0 HZ3 LYS A 9 7.646 -12.254 -1.679 1.00 2.62 H new ATOM 135 N VAL A 10 6.282 -4.535 -4.467 1.00 0.58 N ATOM 136 CA VAL A 10 5.574 -4.300 -5.711 1.00 0.76 C ATOM 137 C VAL A 10 6.571 -4.257 -6.868 1.00 0.94 C ATOM 138 O VAL A 10 7.776 -4.328 -6.657 1.00 1.82 O ATOM 139 CB VAL A 10 4.705 -3.039 -5.520 1.00 0.83 C ATOM 140 CG1 VAL A 10 5.521 -1.758 -5.321 1.00 1.43 C ATOM 141 CG2 VAL A 10 3.678 -2.835 -6.630 1.00 1.77 C ATOM 0 H VAL A 10 7.097 -3.934 -4.341 1.00 0.58 H new ATOM 0 HA VAL A 10 4.891 -5.107 -5.976 1.00 0.76 H new ATOM 0 HB VAL A 10 4.163 -3.235 -4.595 1.00 0.83 H new ATOM 0 HG11 VAL A 10 4.845 -0.912 -5.193 1.00 1.43 H new ATOM 0 HG12 VAL A 10 6.147 -1.859 -4.435 1.00 1.43 H new ATOM 0 HG13 VAL A 10 6.152 -1.589 -6.194 1.00 1.43 H new ATOM 0 HG21 VAL A 10 3.103 -1.931 -6.432 1.00 1.77 H new ATOM 0 HG22 VAL A 10 4.191 -2.736 -7.587 1.00 1.77 H new ATOM 0 HG23 VAL A 10 3.006 -3.692 -6.666 1.00 1.77 H new ATOM 151 N SER A 11 6.070 -4.182 -8.098 1.00 0.56 N ATOM 152 CA SER A 11 6.868 -3.903 -9.279 1.00 0.53 C ATOM 153 C SER A 11 6.034 -2.932 -10.106 1.00 0.52 C ATOM 154 O SER A 11 5.102 -3.352 -10.789 1.00 1.11 O ATOM 155 CB SER A 11 7.189 -5.215 -10.007 1.00 0.74 C ATOM 156 OG SER A 11 8.136 -4.987 -11.032 1.00 2.02 O ATOM 0 H SER A 11 5.080 -4.317 -8.301 1.00 0.56 H new ATOM 0 HA SER A 11 7.837 -3.456 -9.056 1.00 0.53 H new ATOM 0 HB2 SER A 11 7.578 -5.946 -9.299 1.00 0.74 H new ATOM 0 HB3 SER A 11 6.278 -5.636 -10.431 1.00 0.74 H new ATOM 0 HG SER A 11 8.334 -5.831 -11.488 1.00 2.02 H new ATOM 162 N GLY A 12 6.284 -1.627 -9.951 1.00 0.56 N ATOM 163 CA GLY A 12 5.483 -0.603 -10.605 1.00 0.49 C ATOM 164 C GLY A 12 5.733 0.792 -10.030 1.00 0.61 C ATOM 165 O GLY A 12 6.020 1.719 -10.777 1.00 1.36 O ATOM 0 H GLY A 12 7.041 -1.260 -9.374 1.00 0.56 H new ATOM 0 HA2 GLY A 12 5.706 -0.598 -11.672 1.00 0.49 H new ATOM 0 HA3 GLY A 12 4.427 -0.851 -10.501 1.00 0.49 H new ATOM 169 N MET A 13 5.592 0.954 -8.710 1.00 0.37 N ATOM 170 CA MET A 13 5.649 2.260 -8.054 1.00 0.37 C ATOM 171 C MET A 13 6.994 2.980 -8.262 1.00 0.42 C ATOM 172 O MET A 13 8.017 2.566 -7.717 1.00 0.58 O ATOM 173 CB MET A 13 5.371 2.108 -6.552 1.00 0.45 C ATOM 174 CG MET A 13 3.954 2.498 -6.116 1.00 1.16 C ATOM 175 SD MET A 13 3.920 3.296 -4.486 1.00 2.00 S ATOM 176 CE MET A 13 4.689 2.010 -3.475 1.00 2.12 C ATOM 0 H MET A 13 5.435 0.179 -8.066 1.00 0.37 H new ATOM 0 HA MET A 13 4.880 2.877 -8.519 1.00 0.37 H new ATOM 0 HB2 MET A 13 5.551 1.071 -6.267 1.00 0.45 H new ATOM 0 HB3 MET A 13 6.086 2.719 -6.001 1.00 0.45 H new ATOM 0 HG2 MET A 13 3.523 3.173 -6.856 1.00 1.16 H new ATOM 0 HG3 MET A 13 3.327 1.607 -6.093 1.00 1.16 H new ATOM 0 HE1 MET A 13 4.090 1.844 -2.580 1.00 2.12 H new ATOM 0 HE2 MET A 13 4.750 1.085 -4.048 1.00 2.12 H new ATOM 0 HE3 MET A 13 5.692 2.325 -3.187 1.00 2.12 H new ATOM 186 N ASP A 14 6.960 4.097 -8.991 1.00 0.49 N ATOM 187 CA ASP A 14 8.100 4.722 -9.649 1.00 0.52 C ATOM 188 C ASP A 14 8.149 6.256 -9.507 1.00 0.50 C ATOM 189 O ASP A 14 9.204 6.836 -9.752 1.00 0.57 O ATOM 190 CB ASP A 14 8.007 4.359 -11.138 1.00 0.60 C ATOM 191 CG ASP A 14 6.692 4.811 -11.784 1.00 0.66 C ATOM 192 OD1 ASP A 14 5.732 5.108 -11.039 1.00 1.25 O ATOM 193 OD2 ASP A 14 6.654 4.877 -13.029 1.00 1.06 O ATOM 0 H ASP A 14 6.093 4.612 -9.144 1.00 0.49 H new ATOM 0 HA ASP A 14 9.008 4.353 -9.172 1.00 0.52 H new ATOM 0 HB2 ASP A 14 8.842 4.814 -11.670 1.00 0.60 H new ATOM 0 HB3 ASP A 14 8.108 3.280 -11.250 1.00 0.60 H new ATOM 198 N CYS A 15 7.051 6.914 -9.110 1.00 0.48 N ATOM 199 CA CYS A 15 6.923 8.367 -9.071 1.00 0.48 C ATOM 200 C CYS A 15 6.264 8.784 -7.763 1.00 0.41 C ATOM 201 O CYS A 15 5.492 8.021 -7.184 1.00 0.40 O ATOM 202 CB CYS A 15 6.034 8.887 -10.215 1.00 0.53 C ATOM 203 SG CYS A 15 6.348 8.095 -11.811 1.00 0.71 S ATOM 0 H CYS A 15 6.207 6.432 -8.800 1.00 0.48 H new ATOM 0 HA CYS A 15 7.925 8.784 -9.168 1.00 0.48 H new ATOM 0 HB2 CYS A 15 4.989 8.736 -9.946 1.00 0.53 H new ATOM 0 HB3 CYS A 15 6.185 9.962 -10.319 1.00 0.53 H new ATOM 208 N ALA A 16 6.479 10.036 -7.357 1.00 0.38 N ATOM 209 CA ALA A 16 5.814 10.608 -6.194 1.00 0.35 C ATOM 210 C ALA A 16 4.314 10.802 -6.448 1.00 0.28 C ATOM 211 O ALA A 16 3.507 10.712 -5.527 1.00 0.30 O ATOM 212 CB ALA A 16 6.477 11.938 -5.828 1.00 0.41 C ATOM 0 H ALA A 16 7.118 10.678 -7.826 1.00 0.38 H new ATOM 0 HA ALA A 16 5.916 9.914 -5.360 1.00 0.35 H new ATOM 0 HB1 ALA A 16 5.979 12.365 -4.958 1.00 0.41 H new ATOM 0 HB2 ALA A 16 7.529 11.769 -5.597 1.00 0.41 H new ATOM 0 HB3 ALA A 16 6.396 12.628 -6.668 1.00 0.41 H new ATOM 218 N ALA A 17 3.918 11.085 -7.693 1.00 0.25 N ATOM 219 CA ALA A 17 2.505 11.192 -8.043 1.00 0.24 C ATOM 220 C ALA A 17 1.824 9.836 -7.845 1.00 0.24 C ATOM 221 O ALA A 17 0.810 9.735 -7.153 1.00 0.26 O ATOM 222 CB ALA A 17 2.360 11.686 -9.485 1.00 0.28 C ATOM 0 H ALA A 17 4.558 11.243 -8.472 1.00 0.25 H new ATOM 0 HA ALA A 17 2.017 11.917 -7.391 1.00 0.24 H new ATOM 0 HB1 ALA A 17 1.303 11.763 -9.739 1.00 0.28 H new ATOM 0 HB2 ALA A 17 2.829 12.665 -9.583 1.00 0.28 H new ATOM 0 HB3 ALA A 17 2.845 10.982 -10.161 1.00 0.28 H new ATOM 228 N CYS A 18 2.420 8.803 -8.447 1.00 0.25 N ATOM 229 CA CYS A 18 2.043 7.410 -8.272 1.00 0.26 C ATOM 230 C CYS A 18 1.951 7.111 -6.773 1.00 0.24 C ATOM 231 O CYS A 18 0.901 6.690 -6.295 1.00 0.24 O ATOM 232 CB CYS A 18 3.045 6.514 -9.029 1.00 0.34 C ATOM 233 SG CYS A 18 3.044 6.976 -10.797 1.00 0.45 S ATOM 0 H CYS A 18 3.203 8.924 -9.089 1.00 0.25 H new ATOM 0 HA CYS A 18 1.062 7.199 -8.697 1.00 0.26 H new ATOM 0 HB2 CYS A 18 4.045 6.631 -8.610 1.00 0.34 H new ATOM 0 HB3 CYS A 18 2.772 5.465 -8.914 1.00 0.34 H new ATOM 238 N ALA A 19 3.014 7.410 -6.019 1.00 0.25 N ATOM 239 CA ALA A 19 3.019 7.291 -4.566 1.00 0.28 C ATOM 240 C ALA A 19 1.780 7.933 -3.943 1.00 0.24 C ATOM 241 O ALA A 19 1.034 7.252 -3.251 1.00 0.24 O ATOM 242 CB ALA A 19 4.301 7.883 -3.979 1.00 0.34 C ATOM 0 H ALA A 19 3.897 7.743 -6.406 1.00 0.25 H new ATOM 0 HA ALA A 19 2.990 6.229 -4.321 1.00 0.28 H new ATOM 0 HB1 ALA A 19 4.284 7.784 -2.894 1.00 0.34 H new ATOM 0 HB2 ALA A 19 5.164 7.350 -4.379 1.00 0.34 H new ATOM 0 HB3 ALA A 19 4.370 8.938 -4.246 1.00 0.34 H new ATOM 248 N ARG A 20 1.522 9.221 -4.188 1.00 0.26 N ATOM 249 CA ARG A 20 0.385 9.890 -3.584 1.00 0.26 C ATOM 250 C ARG A 20 -0.932 9.189 -3.942 1.00 0.23 C ATOM 251 O ARG A 20 -1.823 9.045 -3.104 1.00 0.26 O ATOM 252 CB ARG A 20 0.350 11.371 -3.976 1.00 0.32 C ATOM 253 CG ARG A 20 0.675 12.259 -2.769 1.00 0.61 C ATOM 254 CD ARG A 20 0.293 13.717 -3.040 1.00 0.67 C ATOM 255 NE ARG A 20 0.631 14.561 -1.882 1.00 1.66 N ATOM 256 CZ ARG A 20 0.201 15.819 -1.687 1.00 2.43 C ATOM 257 NH1 ARG A 20 -0.612 16.393 -2.582 1.00 2.70 N ATOM 258 NH2 ARG A 20 0.586 16.497 -0.599 1.00 3.44 N ATOM 0 H ARG A 20 2.087 9.812 -4.798 1.00 0.26 H new ATOM 0 HA ARG A 20 0.502 9.832 -2.502 1.00 0.26 H new ATOM 0 HB2 ARG A 20 1.068 11.558 -4.775 1.00 0.32 H new ATOM 0 HB3 ARG A 20 -0.635 11.626 -4.366 1.00 0.32 H new ATOM 0 HG2 ARG A 20 0.139 11.896 -1.892 1.00 0.61 H new ATOM 0 HG3 ARG A 20 1.739 12.195 -2.542 1.00 0.61 H new ATOM 0 HD2 ARG A 20 0.816 14.078 -3.926 1.00 0.67 H new ATOM 0 HD3 ARG A 20 -0.774 13.787 -3.249 1.00 0.67 H new ATOM 0 HE ARG A 20 1.241 14.158 -1.170 1.00 1.66 H new ATOM 0 HH11 ARG A 20 -0.904 15.876 -3.411 1.00 2.70 H new ATOM 0 HH12 ARG A 20 -0.939 17.348 -2.435 1.00 2.70 H new ATOM 0 HH21 ARG A 20 1.206 16.059 0.082 1.00 3.44 H new ATOM 0 HH22 ARG A 20 0.260 17.452 -0.451 1.00 3.44 H new ATOM 272 N LYS A 21 -1.078 8.760 -5.196 1.00 0.20 N ATOM 273 CA LYS A 21 -2.280 8.048 -5.593 1.00 0.22 C ATOM 274 C LYS A 21 -2.391 6.720 -4.845 1.00 0.20 C ATOM 275 O LYS A 21 -3.478 6.364 -4.398 1.00 0.24 O ATOM 276 CB LYS A 21 -2.350 7.876 -7.119 1.00 0.30 C ATOM 277 CG LYS A 21 -3.534 8.688 -7.656 1.00 0.72 C ATOM 278 CD LYS A 21 -3.649 8.553 -9.179 1.00 1.29 C ATOM 279 CE LYS A 21 -4.873 9.301 -9.730 1.00 1.68 C ATOM 280 NZ LYS A 21 -4.783 10.763 -9.533 1.00 3.21 N ATOM 0 H LYS A 21 -0.390 8.892 -5.937 1.00 0.20 H new ATOM 0 HA LYS A 21 -3.146 8.647 -5.312 1.00 0.22 H new ATOM 0 HB2 LYS A 21 -1.422 8.214 -7.579 1.00 0.30 H new ATOM 0 HB3 LYS A 21 -2.468 6.823 -7.375 1.00 0.30 H new ATOM 0 HG2 LYS A 21 -4.456 8.346 -7.187 1.00 0.72 H new ATOM 0 HG3 LYS A 21 -3.410 9.738 -7.389 1.00 0.72 H new ATOM 0 HD2 LYS A 21 -2.745 8.942 -9.647 1.00 1.29 H new ATOM 0 HD3 LYS A 21 -3.718 7.498 -9.446 1.00 1.29 H new ATOM 0 HE2 LYS A 21 -4.976 9.087 -10.794 1.00 1.68 H new ATOM 0 HE3 LYS A 21 -5.773 8.927 -9.241 1.00 1.68 H new ATOM 0 HZ1 LYS A 21 -5.600 11.225 -9.982 1.00 3.21 H new ATOM 0 HZ2 LYS A 21 -4.781 10.977 -8.515 1.00 3.21 H new ATOM 0 HZ3 LYS A 21 -3.905 11.118 -9.963 1.00 3.21 H new ATOM 294 N VAL A 22 -1.284 5.998 -4.688 1.00 0.18 N ATOM 295 CA VAL A 22 -1.260 4.713 -4.012 1.00 0.23 C ATOM 296 C VAL A 22 -1.609 4.922 -2.538 1.00 0.23 C ATOM 297 O VAL A 22 -2.530 4.285 -2.024 1.00 0.28 O ATOM 298 CB VAL A 22 0.113 4.055 -4.231 1.00 0.28 C ATOM 299 CG1 VAL A 22 0.251 2.747 -3.447 1.00 0.37 C ATOM 300 CG2 VAL A 22 0.312 3.723 -5.717 1.00 0.43 C ATOM 0 H VAL A 22 -0.371 6.296 -5.032 1.00 0.18 H new ATOM 0 HA VAL A 22 -2.005 4.030 -4.421 1.00 0.23 H new ATOM 0 HB VAL A 22 0.860 4.768 -3.883 1.00 0.28 H new ATOM 0 HG11 VAL A 22 1.235 2.315 -3.630 1.00 0.37 H new ATOM 0 HG12 VAL A 22 0.135 2.947 -2.382 1.00 0.37 H new ATOM 0 HG13 VAL A 22 -0.519 2.046 -3.770 1.00 0.37 H new ATOM 0 HG21 VAL A 22 1.288 3.258 -5.858 1.00 0.43 H new ATOM 0 HG22 VAL A 22 -0.468 3.036 -6.044 1.00 0.43 H new ATOM 0 HG23 VAL A 22 0.258 4.639 -6.305 1.00 0.43 H new ATOM 310 N GLU A 23 -0.898 5.827 -1.855 1.00 0.22 N ATOM 311 CA GLU A 23 -1.127 6.074 -0.444 1.00 0.26 C ATOM 312 C GLU A 23 -2.578 6.493 -0.222 1.00 0.25 C ATOM 313 O GLU A 23 -3.213 6.031 0.717 1.00 0.28 O ATOM 314 CB GLU A 23 -0.111 7.049 0.176 1.00 0.33 C ATOM 315 CG GLU A 23 -0.423 8.514 -0.117 1.00 0.34 C ATOM 316 CD GLU A 23 0.656 9.473 0.367 1.00 0.58 C ATOM 317 OE1 GLU A 23 1.845 9.115 0.232 1.00 2.12 O ATOM 318 OE2 GLU A 23 0.265 10.559 0.849 1.00 1.48 O ATOM 0 H GLU A 23 -0.159 6.397 -2.267 1.00 0.22 H new ATOM 0 HA GLU A 23 -0.960 5.140 0.093 1.00 0.26 H new ATOM 0 HB2 GLU A 23 -0.086 6.899 1.255 1.00 0.33 H new ATOM 0 HB3 GLU A 23 0.884 6.814 -0.201 1.00 0.33 H new ATOM 0 HG2 GLU A 23 -0.556 8.641 -1.191 1.00 0.34 H new ATOM 0 HG3 GLU A 23 -1.370 8.777 0.355 1.00 0.34 H new ATOM 325 N ASN A 24 -3.127 7.337 -1.101 1.00 0.24 N ATOM 326 CA ASN A 24 -4.527 7.721 -1.022 1.00 0.31 C ATOM 327 C ASN A 24 -5.440 6.510 -1.219 1.00 0.32 C ATOM 328 O ASN A 24 -6.337 6.276 -0.411 1.00 0.41 O ATOM 329 CB ASN A 24 -4.858 8.797 -2.055 1.00 0.36 C ATOM 330 CG ASN A 24 -6.269 9.316 -1.816 1.00 1.53 C ATOM 331 OD1 ASN A 24 -7.219 8.882 -2.457 1.00 2.90 O ATOM 332 ND2 ASN A 24 -6.416 10.245 -0.874 1.00 1.85 N ATOM 0 H ASN A 24 -2.617 7.764 -1.874 1.00 0.24 H new ATOM 0 HA ASN A 24 -4.700 8.129 -0.026 1.00 0.31 H new ATOM 0 HB2 ASN A 24 -4.142 9.616 -1.985 1.00 0.36 H new ATOM 0 HB3 ASN A 24 -4.776 8.387 -3.062 1.00 0.36 H new ATOM 0 HD21 ASN A 24 -7.342 10.619 -0.666 1.00 1.85 H new ATOM 0 HD22 ASN A 24 -5.603 10.583 -0.360 1.00 1.85 H new ATOM 339 N ALA A 25 -5.204 5.753 -2.296 1.00 0.29 N ATOM 340 CA ALA A 25 -5.991 4.593 -2.692 1.00 0.34 C ATOM 341 C ALA A 25 -6.074 3.559 -1.573 1.00 0.33 C ATOM 342 O ALA A 25 -7.094 2.887 -1.441 1.00 0.41 O ATOM 343 CB ALA A 25 -5.419 3.965 -3.967 1.00 0.40 C ATOM 0 H ALA A 25 -4.431 5.943 -2.934 1.00 0.29 H new ATOM 0 HA ALA A 25 -7.005 4.937 -2.896 1.00 0.34 H new ATOM 0 HB1 ALA A 25 -6.020 3.100 -4.248 1.00 0.40 H new ATOM 0 HB2 ALA A 25 -5.439 4.698 -4.774 1.00 0.40 H new ATOM 0 HB3 ALA A 25 -4.391 3.650 -3.788 1.00 0.40 H new ATOM 349 N VAL A 26 -5.025 3.436 -0.756 1.00 0.27 N ATOM 350 CA VAL A 26 -5.105 2.621 0.448 1.00 0.27 C ATOM 351 C VAL A 26 -5.729 3.404 1.608 1.00 0.26 C ATOM 352 O VAL A 26 -6.600 2.886 2.300 1.00 0.28 O ATOM 353 CB VAL A 26 -3.753 1.979 0.787 1.00 0.38 C ATOM 354 CG1 VAL A 26 -3.212 1.218 -0.425 1.00 1.87 C ATOM 355 CG2 VAL A 26 -2.681 2.940 1.284 1.00 1.54 C ATOM 0 H VAL A 26 -4.122 3.886 -0.907 1.00 0.27 H new ATOM 0 HA VAL A 26 -5.780 1.788 0.255 1.00 0.27 H new ATOM 0 HB VAL A 26 -3.967 1.309 1.620 1.00 0.38 H new ATOM 0 HG11 VAL A 26 -2.252 0.767 -0.173 1.00 1.87 H new ATOM 0 HG12 VAL A 26 -3.917 0.437 -0.708 1.00 1.87 H new ATOM 0 HG13 VAL A 26 -3.080 1.908 -1.259 1.00 1.87 H new ATOM 0 HG21 VAL A 26 -1.766 2.387 1.495 1.00 1.54 H new ATOM 0 HG22 VAL A 26 -2.483 3.691 0.519 1.00 1.54 H new ATOM 0 HG23 VAL A 26 -3.026 3.431 2.194 1.00 1.54 H new ATOM 365 N ARG A 27 -5.317 4.656 1.835 1.00 0.26 N ATOM 366 CA ARG A 27 -5.773 5.450 2.974 1.00 0.28 C ATOM 367 C ARG A 27 -7.301 5.517 3.042 1.00 0.34 C ATOM 368 O ARG A 27 -7.875 5.509 4.127 1.00 0.37 O ATOM 369 CB ARG A 27 -5.146 6.847 2.925 1.00 0.29 C ATOM 370 CG ARG A 27 -5.556 7.704 4.127 1.00 0.37 C ATOM 371 CD ARG A 27 -4.831 9.051 4.077 1.00 0.52 C ATOM 372 NE ARG A 27 -5.331 9.943 5.132 1.00 0.80 N ATOM 373 CZ ARG A 27 -5.076 11.260 5.204 1.00 1.31 C ATOM 374 NH1 ARG A 27 -4.219 11.817 4.341 1.00 1.83 N ATOM 375 NH2 ARG A 27 -5.684 12.007 6.132 1.00 1.60 N ATOM 0 H ARG A 27 -4.657 5.145 1.231 1.00 0.26 H new ATOM 0 HA ARG A 27 -5.443 4.958 3.889 1.00 0.28 H new ATOM 0 HB2 ARG A 27 -4.060 6.756 2.898 1.00 0.29 H new ATOM 0 HB3 ARG A 27 -5.447 7.347 2.004 1.00 0.29 H new ATOM 0 HG2 ARG A 27 -6.635 7.861 4.122 1.00 0.37 H new ATOM 0 HG3 ARG A 27 -5.314 7.185 5.054 1.00 0.37 H new ATOM 0 HD2 ARG A 27 -3.759 8.898 4.199 1.00 0.52 H new ATOM 0 HD3 ARG A 27 -4.978 9.514 3.101 1.00 0.52 H new ATOM 0 HE ARG A 27 -5.913 9.533 5.862 1.00 0.80 H new ATOM 0 HH11 ARG A 27 -3.763 11.242 3.633 1.00 1.83 H new ATOM 0 HH12 ARG A 27 -4.022 12.817 4.391 1.00 1.83 H new ATOM 0 HH21 ARG A 27 -6.340 11.577 6.784 1.00 1.60 H new ATOM 0 HH22 ARG A 27 -5.492 13.007 6.188 1.00 1.60 H new ATOM 389 N GLN A 28 -7.958 5.576 1.882 1.00 0.39 N ATOM 390 CA GLN A 28 -9.410 5.624 1.785 1.00 0.47 C ATOM 391 C GLN A 28 -10.118 4.441 2.461 1.00 0.43 C ATOM 392 O GLN A 28 -11.318 4.534 2.692 1.00 0.47 O ATOM 393 CB GLN A 28 -9.875 5.814 0.335 1.00 0.62 C ATOM 394 CG GLN A 28 -9.339 4.698 -0.553 1.00 0.64 C ATOM 395 CD GLN A 28 -9.948 4.706 -1.949 1.00 0.94 C ATOM 396 OE1 GLN A 28 -10.653 3.780 -2.335 1.00 1.27 O ATOM 397 NE2 GLN A 28 -9.682 5.752 -2.726 1.00 1.11 N ATOM 0 H GLN A 28 -7.488 5.592 0.977 1.00 0.39 H new ATOM 0 HA GLN A 28 -9.712 6.504 2.352 1.00 0.47 H new ATOM 0 HB2 GLN A 28 -10.964 5.825 0.296 1.00 0.62 H new ATOM 0 HB3 GLN A 28 -9.532 6.779 -0.039 1.00 0.62 H new ATOM 0 HG2 GLN A 28 -8.256 4.794 -0.634 1.00 0.64 H new ATOM 0 HG3 GLN A 28 -9.540 3.737 -0.080 1.00 0.64 H new ATOM 0 HE21 GLN A 28 -9.092 6.508 -2.379 1.00 1.11 H new ATOM 0 HE22 GLN A 28 -10.068 5.798 -3.669 1.00 1.11 H new ATOM 406 N LEU A 29 -9.429 3.320 2.722 1.00 0.38 N ATOM 407 CA LEU A 29 -10.096 2.098 3.151 1.00 0.39 C ATOM 408 C LEU A 29 -10.830 2.265 4.486 1.00 0.39 C ATOM 409 O LEU A 29 -12.057 2.270 4.501 1.00 0.46 O ATOM 410 CB LEU A 29 -9.090 0.943 3.188 1.00 0.37 C ATOM 411 CG LEU A 29 -8.562 0.612 1.786 1.00 0.38 C ATOM 412 CD1 LEU A 29 -7.350 -0.312 1.918 1.00 0.39 C ATOM 413 CD2 LEU A 29 -9.642 -0.002 0.893 1.00 0.44 C ATOM 0 H LEU A 29 -8.415 3.242 2.642 1.00 0.38 H new ATOM 0 HA LEU A 29 -10.869 1.862 2.420 1.00 0.39 H new ATOM 0 HB2 LEU A 29 -8.256 1.206 3.839 1.00 0.37 H new ATOM 0 HB3 LEU A 29 -9.564 0.060 3.617 1.00 0.37 H new ATOM 0 HG LEU A 29 -8.260 1.538 1.297 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -6.967 -0.553 0.927 1.00 0.39 H new ATOM 0 HD12 LEU A 29 -6.573 0.188 2.496 1.00 0.39 H new ATOM 0 HD13 LEU A 29 -7.646 -1.230 2.426 1.00 0.39 H new ATOM 0 HD21 LEU A 29 -9.222 -0.219 -0.089 1.00 0.44 H new ATOM 0 HD22 LEU A 29 -10.006 -0.925 1.344 1.00 0.44 H new ATOM 0 HD23 LEU A 29 -10.469 0.700 0.786 1.00 0.44 H new ATOM 425 N ALA A 30 -10.080 2.342 5.594 1.00 0.35 N ATOM 426 CA ALA A 30 -10.569 2.425 6.971 1.00 0.40 C ATOM 427 C ALA A 30 -9.452 2.101 7.972 1.00 0.34 C ATOM 428 O ALA A 30 -8.945 2.989 8.645 1.00 0.31 O ATOM 429 CB ALA A 30 -11.731 1.454 7.184 1.00 0.49 C ATOM 0 H ALA A 30 -9.061 2.348 5.548 1.00 0.35 H new ATOM 0 HA ALA A 30 -10.911 3.446 7.140 1.00 0.40 H new ATOM 0 HB1 ALA A 30 -12.083 1.528 8.213 1.00 0.49 H new ATOM 0 HB2 ALA A 30 -12.544 1.705 6.503 1.00 0.49 H new ATOM 0 HB3 ALA A 30 -11.395 0.436 6.988 1.00 0.49 H new ATOM 435 N GLY A 31 -9.098 0.812 8.082 1.00 0.37 N ATOM 436 CA GLY A 31 -8.138 0.260 9.042 1.00 0.37 C ATOM 437 C GLY A 31 -6.840 1.061 9.145 1.00 0.32 C ATOM 438 O GLY A 31 -6.266 1.196 10.223 1.00 0.36 O ATOM 0 H GLY A 31 -9.493 0.095 7.474 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -8.606 0.216 10.025 1.00 0.37 H new ATOM 0 HA3 GLY A 31 -7.900 -0.765 8.756 1.00 0.37 H new ATOM 442 N VAL A 32 -6.346 1.492 7.983 1.00 0.28 N ATOM 443 CA VAL A 32 -5.088 2.174 7.792 1.00 0.22 C ATOM 444 C VAL A 32 -5.076 3.534 8.487 1.00 0.24 C ATOM 445 O VAL A 32 -5.912 4.392 8.218 1.00 0.29 O ATOM 446 CB VAL A 32 -4.752 2.203 6.300 1.00 0.26 C ATOM 447 CG1 VAL A 32 -5.900 2.713 5.455 1.00 0.35 C ATOM 448 CG2 VAL A 32 -3.540 3.067 6.001 1.00 0.45 C ATOM 0 H VAL A 32 -6.851 1.361 7.106 1.00 0.28 H new ATOM 0 HA VAL A 32 -4.281 1.626 8.278 1.00 0.22 H new ATOM 0 HB VAL A 32 -4.542 1.165 6.042 1.00 0.26 H new ATOM 0 HG11 VAL A 32 -5.607 2.713 4.405 1.00 0.35 H new ATOM 0 HG12 VAL A 32 -6.767 2.066 5.590 1.00 0.35 H new ATOM 0 HG13 VAL A 32 -6.154 3.728 5.761 1.00 0.35 H new ATOM 0 HG21 VAL A 32 -3.341 3.056 4.929 1.00 0.45 H new ATOM 0 HG22 VAL A 32 -3.734 4.090 6.324 1.00 0.45 H new ATOM 0 HG23 VAL A 32 -2.674 2.676 6.535 1.00 0.45 H new ATOM 458 N ASN A 33 -4.103 3.716 9.378 1.00 0.24 N ATOM 459 CA ASN A 33 -3.947 4.896 10.207 1.00 0.29 C ATOM 460 C ASN A 33 -2.807 5.740 9.665 1.00 0.28 C ATOM 461 O ASN A 33 -3.029 6.866 9.225 1.00 0.42 O ATOM 462 CB ASN A 33 -3.674 4.453 11.647 1.00 0.37 C ATOM 463 CG ASN A 33 -4.953 3.896 12.261 1.00 0.75 C ATOM 464 OD1 ASN A 33 -5.988 4.554 12.254 1.00 1.08 O ATOM 465 ND2 ASN A 33 -4.916 2.681 12.786 1.00 1.07 N ATOM 0 H ASN A 33 -3.379 3.017 9.544 1.00 0.24 H new ATOM 0 HA ASN A 33 -4.854 5.500 10.194 1.00 0.29 H new ATOM 0 HB2 ASN A 33 -2.891 3.695 11.663 1.00 0.37 H new ATOM 0 HB3 ASN A 33 -3.313 5.296 12.236 1.00 0.37 H new ATOM 0 HD21 ASN A 33 -5.758 2.276 13.194 1.00 1.07 H new ATOM 0 HD22 ASN A 33 -4.045 2.150 12.782 1.00 1.07 H new ATOM 472 N GLN A 34 -1.590 5.189 9.682 1.00 0.31 N ATOM 473 CA GLN A 34 -0.425 5.839 9.107 1.00 0.36 C ATOM 474 C GLN A 34 -0.019 5.031 7.880 1.00 0.38 C ATOM 475 O GLN A 34 0.484 3.916 7.983 1.00 0.77 O ATOM 476 CB GLN A 34 0.687 6.000 10.156 1.00 0.42 C ATOM 477 CG GLN A 34 1.956 6.655 9.591 1.00 0.42 C ATOM 478 CD GLN A 34 1.699 8.086 9.123 1.00 0.55 C ATOM 479 OE1 GLN A 34 1.557 8.989 9.939 1.00 1.35 O ATOM 480 NE2 GLN A 34 1.627 8.316 7.816 1.00 2.32 N ATOM 0 H GLN A 34 -1.392 4.279 10.097 1.00 0.31 H new ATOM 0 HA GLN A 34 -0.644 6.858 8.788 1.00 0.36 H new ATOM 0 HB2 GLN A 34 0.313 6.601 10.985 1.00 0.42 H new ATOM 0 HB3 GLN A 34 0.940 5.021 10.562 1.00 0.42 H new ATOM 0 HG2 GLN A 34 2.734 6.657 10.354 1.00 0.42 H new ATOM 0 HG3 GLN A 34 2.330 6.062 8.756 1.00 0.42 H new ATOM 0 HE21 GLN A 34 1.749 7.548 7.156 1.00 2.32 H new ATOM 0 HE22 GLN A 34 1.450 9.260 7.473 1.00 2.32 H new ATOM 489 N VAL A 35 -0.271 5.594 6.703 1.00 0.40 N ATOM 490 CA VAL A 35 0.183 5.028 5.448 1.00 0.41 C ATOM 491 C VAL A 35 1.619 5.500 5.199 1.00 0.38 C ATOM 492 O VAL A 35 1.975 6.605 5.611 1.00 0.51 O ATOM 493 CB VAL A 35 -0.804 5.431 4.340 1.00 0.64 C ATOM 494 CG1 VAL A 35 -0.868 6.946 4.089 1.00 1.35 C ATOM 495 CG2 VAL A 35 -0.459 4.706 3.043 1.00 1.98 C ATOM 0 H VAL A 35 -0.799 6.460 6.598 1.00 0.40 H new ATOM 0 HA VAL A 35 0.203 3.938 5.468 1.00 0.41 H new ATOM 0 HB VAL A 35 -1.792 5.134 4.690 1.00 0.64 H new ATOM 0 HG11 VAL A 35 -1.585 7.153 3.294 1.00 1.35 H new ATOM 0 HG12 VAL A 35 -1.181 7.453 5.002 1.00 1.35 H new ATOM 0 HG13 VAL A 35 0.117 7.308 3.793 1.00 1.35 H new ATOM 0 HG21 VAL A 35 -1.164 4.998 2.264 1.00 1.98 H new ATOM 0 HG22 VAL A 35 0.552 4.972 2.735 1.00 1.98 H new ATOM 0 HG23 VAL A 35 -0.519 3.629 3.201 1.00 1.98 H new ATOM 505 N GLN A 36 2.451 4.678 4.551 1.00 0.33 N ATOM 506 CA GLN A 36 3.803 5.050 4.162 1.00 0.39 C ATOM 507 C GLN A 36 4.169 4.253 2.909 1.00 0.35 C ATOM 508 O GLN A 36 4.589 3.103 3.012 1.00 0.42 O ATOM 509 CB GLN A 36 4.763 4.738 5.319 1.00 0.42 C ATOM 510 CG GLN A 36 6.227 5.077 4.987 1.00 0.44 C ATOM 511 CD GLN A 36 7.191 4.029 5.537 1.00 0.77 C ATOM 512 OE1 GLN A 36 8.005 3.474 4.807 1.00 2.26 O ATOM 513 NE2 GLN A 36 7.106 3.733 6.830 1.00 0.71 N ATOM 0 H GLN A 36 2.196 3.728 4.282 1.00 0.33 H new ATOM 0 HA GLN A 36 3.873 6.115 3.943 1.00 0.39 H new ATOM 0 HB2 GLN A 36 4.456 5.299 6.201 1.00 0.42 H new ATOM 0 HB3 GLN A 36 4.688 3.680 5.572 1.00 0.42 H new ATOM 0 HG2 GLN A 36 6.347 5.149 3.906 1.00 0.44 H new ATOM 0 HG3 GLN A 36 6.477 6.054 5.402 1.00 0.44 H new ATOM 0 HE21 GLN A 36 6.421 4.208 7.418 1.00 0.71 H new ATOM 0 HE22 GLN A 36 7.726 3.031 7.234 1.00 0.71 H new ATOM 522 N VAL A 37 4.026 4.844 1.722 1.00 0.28 N ATOM 523 CA VAL A 37 4.372 4.166 0.486 1.00 0.26 C ATOM 524 C VAL A 37 5.754 4.633 0.022 1.00 0.28 C ATOM 525 O VAL A 37 5.911 5.788 -0.371 1.00 0.39 O ATOM 526 CB VAL A 37 3.239 4.302 -0.544 1.00 0.41 C ATOM 527 CG1 VAL A 37 1.882 4.001 0.099 1.00 1.68 C ATOM 528 CG2 VAL A 37 3.177 5.655 -1.248 1.00 1.31 C ATOM 0 H VAL A 37 3.672 5.792 1.597 1.00 0.28 H new ATOM 0 HA VAL A 37 4.463 3.090 0.638 1.00 0.26 H new ATOM 0 HB VAL A 37 3.471 3.566 -1.314 1.00 0.41 H new ATOM 0 HG11 VAL A 37 1.095 4.103 -0.648 1.00 1.68 H new ATOM 0 HG12 VAL A 37 1.882 2.983 0.489 1.00 1.68 H new ATOM 0 HG13 VAL A 37 1.702 4.702 0.914 1.00 1.68 H new ATOM 0 HG21 VAL A 37 2.348 5.659 -1.956 1.00 1.31 H new ATOM 0 HG22 VAL A 37 3.028 6.443 -0.510 1.00 1.31 H new ATOM 0 HG23 VAL A 37 4.111 5.830 -1.782 1.00 1.31 H new ATOM 538 N LEU A 38 6.772 3.765 0.077 1.00 0.31 N ATOM 539 CA LEU A 38 8.098 4.110 -0.396 1.00 0.32 C ATOM 540 C LEU A 38 8.215 3.549 -1.812 1.00 0.32 C ATOM 541 O LEU A 38 8.619 2.406 -2.037 1.00 0.40 O ATOM 542 CB LEU A 38 9.169 3.609 0.578 1.00 0.34 C ATOM 543 CG LEU A 38 10.580 4.024 0.136 1.00 0.39 C ATOM 544 CD1 LEU A 38 10.783 5.546 0.097 1.00 0.52 C ATOM 545 CD2 LEU A 38 11.614 3.408 1.083 1.00 0.44 C ATOM 0 H LEU A 38 6.692 2.818 0.447 1.00 0.31 H new ATOM 0 HA LEU A 38 8.259 5.187 -0.437 1.00 0.32 H new ATOM 0 HB2 LEU A 38 8.969 4.005 1.574 1.00 0.34 H new ATOM 0 HB3 LEU A 38 9.115 2.523 0.650 1.00 0.34 H new ATOM 0 HG LEU A 38 10.709 3.656 -0.882 1.00 0.39 H new ATOM 0 HD11 LEU A 38 11.801 5.769 -0.223 1.00 0.52 H new ATOM 0 HD12 LEU A 38 10.076 5.989 -0.605 1.00 0.52 H new ATOM 0 HD13 LEU A 38 10.616 5.961 1.091 1.00 0.52 H new ATOM 0 HD21 LEU A 38 12.616 3.702 0.769 1.00 0.44 H new ATOM 0 HD22 LEU A 38 11.433 3.761 2.098 1.00 0.44 H new ATOM 0 HD23 LEU A 38 11.530 2.322 1.056 1.00 0.44 H new ATOM 557 N PHE A 39 7.796 4.382 -2.764 1.00 0.32 N ATOM 558 CA PHE A 39 7.962 4.131 -4.183 1.00 0.33 C ATOM 559 C PHE A 39 9.449 4.119 -4.543 1.00 0.34 C ATOM 560 O PHE A 39 10.291 4.464 -3.713 1.00 0.35 O ATOM 561 CB PHE A 39 7.198 5.198 -4.977 1.00 0.40 C ATOM 562 CG PHE A 39 7.912 6.528 -5.106 1.00 0.29 C ATOM 563 CD1 PHE A 39 7.787 7.523 -4.120 1.00 1.91 C ATOM 564 CD2 PHE A 39 8.699 6.771 -6.245 1.00 1.60 C ATOM 565 CE1 PHE A 39 8.334 8.799 -4.342 1.00 2.01 C ATOM 566 CE2 PHE A 39 9.247 8.041 -6.468 1.00 1.59 C ATOM 567 CZ PHE A 39 9.020 9.068 -5.540 1.00 0.64 C ATOM 0 H PHE A 39 7.324 5.263 -2.561 1.00 0.32 H new ATOM 0 HA PHE A 39 7.554 3.153 -4.439 1.00 0.33 H new ATOM 0 HB2 PHE A 39 6.996 4.812 -5.976 1.00 0.40 H new ATOM 0 HB3 PHE A 39 6.233 5.365 -4.499 1.00 0.40 H new ATOM 0 HD1 PHE A 39 7.272 7.308 -3.195 1.00 1.91 H new ATOM 0 HD2 PHE A 39 8.882 5.975 -6.952 1.00 1.60 H new ATOM 0 HE1 PHE A 39 8.228 9.571 -3.594 1.00 2.01 H new ATOM 0 HE2 PHE A 39 9.841 8.228 -7.350 1.00 1.59 H new ATOM 0 HZ PHE A 39 9.373 10.068 -5.746 1.00 0.64 H new ATOM 577 N ALA A 40 9.769 3.727 -5.783 1.00 0.37 N ATOM 578 CA ALA A 40 11.129 3.574 -6.288 1.00 0.38 C ATOM 579 C ALA A 40 11.782 2.370 -5.617 1.00 0.38 C ATOM 580 O ALA A 40 11.999 1.355 -6.268 1.00 0.70 O ATOM 581 CB ALA A 40 11.957 4.863 -6.169 1.00 0.43 C ATOM 0 H ALA A 40 9.061 3.501 -6.481 1.00 0.37 H new ATOM 0 HA ALA A 40 11.086 3.382 -7.360 1.00 0.38 H new ATOM 0 HB1 ALA A 40 12.959 4.689 -6.560 1.00 0.43 H new ATOM 0 HB2 ALA A 40 11.477 5.658 -6.741 1.00 0.43 H new ATOM 0 HB3 ALA A 40 12.022 5.158 -5.122 1.00 0.43 H new ATOM 587 N THR A 41 11.991 2.429 -4.301 1.00 0.31 N ATOM 588 CA THR A 41 12.405 1.296 -3.480 1.00 0.30 C ATOM 589 C THR A 41 11.185 0.406 -3.185 1.00 0.50 C ATOM 590 O THR A 41 10.921 0.079 -2.031 1.00 1.30 O ATOM 591 CB THR A 41 13.070 1.823 -2.201 1.00 0.51 C ATOM 592 OG1 THR A 41 13.863 2.949 -2.521 1.00 1.20 O ATOM 593 CG2 THR A 41 13.966 0.762 -1.551 1.00 0.88 C ATOM 0 H THR A 41 11.873 3.289 -3.765 1.00 0.31 H new ATOM 0 HA THR A 41 13.136 0.681 -4.005 1.00 0.30 H new ATOM 0 HB THR A 41 12.281 2.088 -1.497 1.00 0.51 H new ATOM 0 HG1 THR A 41 14.289 3.291 -1.707 1.00 1.20 H new ATOM 0 HG21 THR A 41 14.419 1.172 -0.648 1.00 0.88 H new ATOM 0 HG22 THR A 41 13.367 -0.111 -1.292 1.00 0.88 H new ATOM 0 HG23 THR A 41 14.750 0.470 -2.250 1.00 0.88 H new ATOM 601 N GLU A 42 10.439 0.085 -4.248 1.00 0.38 N ATOM 602 CA GLU A 42 9.252 -0.749 -4.404 1.00 0.45 C ATOM 603 C GLU A 42 8.594 -1.368 -3.153 1.00 0.38 C ATOM 604 O GLU A 42 8.275 -2.561 -3.169 1.00 0.52 O ATOM 605 CB GLU A 42 9.596 -1.807 -5.456 1.00 0.79 C ATOM 606 CG GLU A 42 10.742 -2.730 -5.024 1.00 1.68 C ATOM 607 CD GLU A 42 12.122 -2.219 -5.420 1.00 2.93 C ATOM 608 OE1 GLU A 42 12.433 -2.324 -6.625 1.00 3.14 O ATOM 609 OE2 GLU A 42 12.841 -1.753 -4.509 1.00 4.47 O ATOM 0 H GLU A 42 10.701 0.468 -5.156 1.00 0.38 H new ATOM 0 HA GLU A 42 8.454 -0.070 -4.705 1.00 0.45 H new ATOM 0 HB2 GLU A 42 8.710 -2.408 -5.662 1.00 0.79 H new ATOM 0 HB3 GLU A 42 9.868 -1.310 -6.387 1.00 0.79 H new ATOM 0 HG2 GLU A 42 10.707 -2.856 -3.942 1.00 1.68 H new ATOM 0 HG3 GLU A 42 10.589 -3.715 -5.464 1.00 1.68 H new ATOM 616 N LYS A 43 8.297 -0.594 -2.103 1.00 0.28 N ATOM 617 CA LYS A 43 7.897 -1.159 -0.827 1.00 0.35 C ATOM 618 C LYS A 43 6.893 -0.215 -0.189 1.00 0.38 C ATOM 619 O LYS A 43 7.221 0.909 0.192 1.00 0.78 O ATOM 620 CB LYS A 43 9.168 -1.348 0.006 1.00 0.62 C ATOM 621 CG LYS A 43 9.129 -2.271 1.212 1.00 1.28 C ATOM 622 CD LYS A 43 8.622 -1.510 2.435 1.00 1.25 C ATOM 623 CE LYS A 43 9.101 -2.226 3.709 1.00 2.15 C ATOM 624 NZ LYS A 43 10.500 -1.880 4.040 1.00 2.63 N ATOM 0 H LYS A 43 8.329 0.425 -2.121 1.00 0.28 H new ATOM 0 HA LYS A 43 7.411 -2.130 -0.920 1.00 0.35 H new ATOM 0 HB2 LYS A 43 9.948 -1.713 -0.662 1.00 0.62 H new ATOM 0 HB3 LYS A 43 9.482 -0.364 0.355 1.00 0.62 H new ATOM 0 HG2 LYS A 43 8.480 -3.122 1.008 1.00 1.28 H new ATOM 0 HG3 LYS A 43 10.125 -2.669 1.408 1.00 1.28 H new ATOM 0 HD2 LYS A 43 8.991 -0.484 2.419 1.00 1.25 H new ATOM 0 HD3 LYS A 43 7.533 -1.457 2.420 1.00 1.25 H new ATOM 0 HE2 LYS A 43 8.453 -1.957 4.543 1.00 2.15 H new ATOM 0 HE3 LYS A 43 9.015 -3.304 3.574 1.00 2.15 H new ATOM 0 HZ1 LYS A 43 10.880 -2.577 4.712 1.00 2.63 H new ATOM 0 HZ2 LYS A 43 11.074 -1.886 3.173 1.00 2.63 H new ATOM 0 HZ3 LYS A 43 10.531 -0.933 4.469 1.00 2.63 H new ATOM 638 N LEU A 44 5.652 -0.675 -0.071 1.00 0.24 N ATOM 639 CA LEU A 44 4.615 0.073 0.599 1.00 0.25 C ATOM 640 C LEU A 44 4.545 -0.490 2.005 1.00 0.22 C ATOM 641 O LEU A 44 4.812 -1.674 2.177 1.00 0.28 O ATOM 642 CB LEU A 44 3.325 -0.030 -0.224 1.00 0.26 C ATOM 643 CG LEU A 44 2.170 -0.799 0.387 1.00 0.58 C ATOM 644 CD1 LEU A 44 1.589 -0.011 1.557 1.00 0.81 C ATOM 645 CD2 LEU A 44 1.106 -0.978 -0.687 1.00 0.81 C ATOM 0 H LEU A 44 5.345 -1.576 -0.439 1.00 0.24 H new ATOM 0 HA LEU A 44 4.804 1.143 0.681 1.00 0.25 H new ATOM 0 HB2 LEU A 44 2.980 0.981 -0.439 1.00 0.26 H new ATOM 0 HB3 LEU A 44 3.571 -0.493 -1.180 1.00 0.26 H new ATOM 0 HG LEU A 44 2.510 -1.768 0.752 1.00 0.58 H new ATOM 0 HD11 LEU A 44 0.759 -0.567 1.994 1.00 0.81 H new ATOM 0 HD12 LEU A 44 2.360 0.142 2.312 1.00 0.81 H new ATOM 0 HD13 LEU A 44 1.232 0.956 1.203 1.00 0.81 H new ATOM 0 HD21 LEU A 44 0.261 -1.529 -0.274 1.00 0.81 H new ATOM 0 HD22 LEU A 44 0.768 -0.000 -1.031 1.00 0.81 H new ATOM 0 HD23 LEU A 44 1.526 -1.532 -1.526 1.00 0.81 H new ATOM 657 N VAL A 45 4.234 0.355 2.987 1.00 0.30 N ATOM 658 CA VAL A 45 4.085 0.071 4.381 1.00 0.31 C ATOM 659 C VAL A 45 2.764 0.720 4.786 1.00 0.27 C ATOM 660 O VAL A 45 2.427 1.825 4.352 1.00 0.35 O ATOM 661 CB VAL A 45 5.281 0.625 5.172 1.00 0.42 C ATOM 662 CG1 VAL A 45 4.905 0.927 6.622 1.00 0.36 C ATOM 663 CG2 VAL A 45 6.431 -0.377 5.145 1.00 0.59 C ATOM 0 H VAL A 45 4.068 1.342 2.790 1.00 0.30 H new ATOM 0 HA VAL A 45 4.067 -0.998 4.592 1.00 0.31 H new ATOM 0 HB VAL A 45 5.588 1.557 4.698 1.00 0.42 H new ATOM 0 HG11 VAL A 45 5.775 1.317 7.150 1.00 0.36 H new ATOM 0 HG12 VAL A 45 4.106 1.668 6.644 1.00 0.36 H new ATOM 0 HG13 VAL A 45 4.566 0.012 7.108 1.00 0.36 H new ATOM 0 HG21 VAL A 45 7.275 0.022 5.707 1.00 0.59 H new ATOM 0 HG22 VAL A 45 6.107 -1.315 5.595 1.00 0.59 H new ATOM 0 HG23 VAL A 45 6.734 -0.555 4.113 1.00 0.59 H new ATOM 673 N VAL A 46 2.011 -0.004 5.597 1.00 0.23 N ATOM 674 CA VAL A 46 0.738 0.399 6.149 1.00 0.16 C ATOM 675 C VAL A 46 0.833 0.154 7.649 1.00 0.21 C ATOM 676 O VAL A 46 1.197 -0.959 8.040 1.00 0.36 O ATOM 677 CB VAL A 46 -0.333 -0.466 5.463 1.00 0.32 C ATOM 678 CG1 VAL A 46 -1.531 -0.821 6.341 1.00 0.81 C ATOM 679 CG2 VAL A 46 -0.840 0.238 4.202 1.00 0.35 C ATOM 0 H VAL A 46 2.290 -0.937 5.901 1.00 0.23 H new ATOM 0 HA VAL A 46 0.480 1.445 5.985 1.00 0.16 H new ATOM 0 HB VAL A 46 0.166 -1.406 5.228 1.00 0.32 H new ATOM 0 HG11 VAL A 46 -2.231 -1.432 5.771 1.00 0.81 H new ATOM 0 HG12 VAL A 46 -1.190 -1.378 7.214 1.00 0.81 H new ATOM 0 HG13 VAL A 46 -2.028 0.093 6.666 1.00 0.81 H new ATOM 0 HG21 VAL A 46 -1.598 -0.379 3.721 1.00 0.35 H new ATOM 0 HG22 VAL A 46 -1.274 1.201 4.472 1.00 0.35 H new ATOM 0 HG23 VAL A 46 -0.009 0.395 3.514 1.00 0.35 H new ATOM 689 N ASP A 47 0.479 1.152 8.464 1.00 0.19 N ATOM 690 CA ASP A 47 0.239 0.956 9.878 1.00 0.18 C ATOM 691 C ASP A 47 -1.270 1.047 10.007 1.00 0.22 C ATOM 692 O ASP A 47 -1.846 2.114 9.769 1.00 0.32 O ATOM 693 CB ASP A 47 0.921 2.026 10.739 1.00 0.25 C ATOM 694 CG ASP A 47 2.425 1.860 10.935 1.00 0.84 C ATOM 695 OD1 ASP A 47 3.069 1.207 10.084 1.00 1.76 O ATOM 696 OD2 ASP A 47 2.915 2.413 11.948 1.00 1.92 O ATOM 0 H ASP A 47 0.353 2.115 8.152 1.00 0.19 H new ATOM 0 HA ASP A 47 0.647 0.008 10.229 1.00 0.18 H new ATOM 0 HB2 ASP A 47 0.738 3.001 10.287 1.00 0.25 H new ATOM 0 HB3 ASP A 47 0.445 2.035 11.719 1.00 0.25 H new ATOM 701 N ALA A 48 -1.909 -0.086 10.296 1.00 0.22 N ATOM 702 CA ALA A 48 -3.346 -0.209 10.417 1.00 0.26 C ATOM 703 C ALA A 48 -3.640 -0.890 11.743 1.00 0.42 C ATOM 704 O ALA A 48 -2.945 -1.842 12.116 1.00 0.72 O ATOM 705 CB ALA A 48 -3.907 -1.032 9.254 1.00 0.29 C ATOM 0 H ALA A 48 -1.418 -0.966 10.456 1.00 0.22 H new ATOM 0 HA ALA A 48 -3.818 0.773 10.385 1.00 0.26 H new ATOM 0 HB1 ALA A 48 -4.989 -1.117 9.357 1.00 0.29 H new ATOM 0 HB2 ALA A 48 -3.670 -0.539 8.311 1.00 0.29 H new ATOM 0 HB3 ALA A 48 -3.462 -2.027 9.265 1.00 0.29 H new ATOM 711 N ASP A 49 -4.680 -0.411 12.427 1.00 0.39 N ATOM 712 CA ASP A 49 -5.055 -0.903 13.744 1.00 0.53 C ATOM 713 C ASP A 49 -6.481 -1.432 13.620 1.00 0.54 C ATOM 714 O ASP A 49 -7.386 -1.052 14.358 1.00 0.61 O ATOM 715 CB ASP A 49 -4.914 0.198 14.813 1.00 0.67 C ATOM 716 CG ASP A 49 -3.525 0.833 14.913 1.00 1.41 C ATOM 717 OD1 ASP A 49 -2.973 1.228 13.858 1.00 2.74 O ATOM 718 OD2 ASP A 49 -3.046 0.962 16.057 1.00 1.86 O ATOM 0 H ASP A 49 -5.285 0.332 12.078 1.00 0.39 H new ATOM 0 HA ASP A 49 -4.392 -1.702 14.075 1.00 0.53 H new ATOM 0 HB2 ASP A 49 -5.641 0.983 14.602 1.00 0.67 H new ATOM 0 HB3 ASP A 49 -5.174 -0.224 15.784 1.00 0.67 H new ATOM 723 N ASN A 50 -6.650 -2.346 12.666 1.00 0.52 N ATOM 724 CA ASN A 50 -7.836 -3.164 12.474 1.00 0.47 C ATOM 725 C ASN A 50 -7.346 -4.374 11.692 1.00 0.45 C ATOM 726 O ASN A 50 -6.864 -5.321 12.306 1.00 0.90 O ATOM 727 CB ASN A 50 -8.960 -2.372 11.780 1.00 0.57 C ATOM 728 CG ASN A 50 -10.202 -3.220 11.496 1.00 1.63 C ATOM 729 OD1 ASN A 50 -11.093 -3.296 12.334 1.00 2.20 O ATOM 730 ND2 ASN A 50 -10.323 -3.847 10.323 1.00 2.48 N ATOM 0 H ASN A 50 -5.926 -2.542 11.975 1.00 0.52 H new ATOM 0 HA ASN A 50 -8.295 -3.481 13.410 1.00 0.47 H new ATOM 0 HB2 ASN A 50 -9.240 -1.525 12.407 1.00 0.57 H new ATOM 0 HB3 ASN A 50 -8.583 -1.964 10.842 1.00 0.57 H new ATOM 0 HD21 ASN A 50 -11.160 -4.393 10.121 1.00 2.48 H new ATOM 0 HD22 ASN A 50 -9.578 -3.780 9.630 1.00 2.48 H new ATOM 737 N ASP A 51 -7.378 -4.275 10.358 1.00 0.41 N ATOM 738 CA ASP A 51 -6.909 -5.228 9.362 1.00 0.46 C ATOM 739 C ASP A 51 -7.521 -4.764 8.042 1.00 0.42 C ATOM 740 O ASP A 51 -8.736 -4.568 7.986 1.00 0.83 O ATOM 741 CB ASP A 51 -7.381 -6.664 9.646 1.00 0.63 C ATOM 742 CG ASP A 51 -6.363 -7.748 9.284 1.00 1.03 C ATOM 743 OD1 ASP A 51 -5.154 -7.442 9.142 1.00 2.43 O ATOM 744 OD2 ASP A 51 -6.794 -8.912 9.187 1.00 1.79 O ATOM 0 H ASP A 51 -7.771 -3.445 9.914 1.00 0.41 H new ATOM 0 HA ASP A 51 -5.819 -5.254 9.357 1.00 0.46 H new ATOM 0 HB2 ASP A 51 -7.624 -6.751 10.705 1.00 0.63 H new ATOM 0 HB3 ASP A 51 -8.301 -6.847 9.091 1.00 0.63 H new ATOM 749 N ILE A 52 -6.694 -4.519 7.026 1.00 0.33 N ATOM 750 CA ILE A 52 -7.107 -4.035 5.712 1.00 0.29 C ATOM 751 C ILE A 52 -6.096 -4.443 4.642 1.00 0.31 C ATOM 752 O ILE A 52 -6.004 -3.815 3.599 1.00 0.42 O ATOM 753 CB ILE A 52 -7.235 -2.503 5.720 1.00 0.29 C ATOM 754 CG1 ILE A 52 -6.042 -1.818 6.405 1.00 0.31 C ATOM 755 CG2 ILE A 52 -8.544 -2.020 6.319 1.00 0.33 C ATOM 756 CD1 ILE A 52 -4.873 -1.679 5.442 1.00 0.36 C ATOM 0 H ILE A 52 -5.686 -4.657 7.099 1.00 0.33 H new ATOM 0 HA ILE A 52 -8.074 -4.482 5.482 1.00 0.29 H new ATOM 0 HB ILE A 52 -7.232 -2.210 4.670 1.00 0.29 H new ATOM 0 HG12 ILE A 52 -6.340 -0.834 6.766 1.00 0.31 H new ATOM 0 HG13 ILE A 52 -5.735 -2.398 7.276 1.00 0.31 H new ATOM 0 HG21 ILE A 52 -8.575 -0.931 6.296 1.00 0.33 H new ATOM 0 HG22 ILE A 52 -9.378 -2.419 5.741 1.00 0.33 H new ATOM 0 HG23 ILE A 52 -8.621 -2.364 7.351 1.00 0.33 H new ATOM 0 HD11 ILE A 52 -4.040 -1.191 5.949 1.00 0.36 H new ATOM 0 HD12 ILE A 52 -4.563 -2.667 5.102 1.00 0.36 H new ATOM 0 HD13 ILE A 52 -5.177 -1.079 4.584 1.00 0.36 H new ATOM 768 N ARG A 53 -5.275 -5.453 4.896 1.00 0.57 N ATOM 769 CA ARG A 53 -4.145 -5.743 4.007 1.00 0.45 C ATOM 770 C ARG A 53 -4.698 -6.283 2.707 1.00 0.37 C ATOM 771 O ARG A 53 -4.391 -5.777 1.637 1.00 0.34 O ATOM 772 CB ARG A 53 -3.121 -6.721 4.595 1.00 0.56 C ATOM 773 CG ARG A 53 -3.213 -6.717 6.109 1.00 0.51 C ATOM 774 CD ARG A 53 -2.174 -7.591 6.782 1.00 0.92 C ATOM 775 NE ARG A 53 -2.817 -8.062 8.021 1.00 1.34 N ATOM 776 CZ ARG A 53 -2.378 -8.846 9.002 1.00 2.10 C ATOM 777 NH1 ARG A 53 -1.266 -9.570 8.865 1.00 2.56 N ATOM 778 NH2 ARG A 53 -3.108 -8.864 10.118 1.00 2.65 N ATOM 0 H ARG A 53 -5.363 -6.080 5.696 1.00 0.57 H new ATOM 0 HA ARG A 53 -3.598 -4.812 3.855 1.00 0.45 H new ATOM 0 HB2 ARG A 53 -3.304 -7.726 4.214 1.00 0.56 H new ATOM 0 HB3 ARG A 53 -2.115 -6.440 4.282 1.00 0.56 H new ATOM 0 HG2 ARG A 53 -3.103 -5.694 6.469 1.00 0.51 H new ATOM 0 HG3 ARG A 53 -4.206 -7.054 6.405 1.00 0.51 H new ATOM 0 HD2 ARG A 53 -1.888 -8.427 6.144 1.00 0.92 H new ATOM 0 HD3 ARG A 53 -1.265 -7.029 6.998 1.00 0.92 H new ATOM 0 HE ARG A 53 -3.771 -7.726 8.150 1.00 1.34 H new ATOM 0 HH11 ARG A 53 -0.735 -9.529 7.995 1.00 2.56 H new ATOM 0 HH12 ARG A 53 -0.947 -10.165 9.630 1.00 2.56 H new ATOM 0 HH21 ARG A 53 -3.952 -8.296 10.184 1.00 2.65 H new ATOM 0 HH22 ARG A 53 -2.822 -9.446 10.905 1.00 2.65 H new ATOM 792 N ALA A 54 -5.584 -7.267 2.839 1.00 0.43 N ATOM 793 CA ALA A 54 -6.351 -7.818 1.742 1.00 0.46 C ATOM 794 C ALA A 54 -7.066 -6.694 0.971 1.00 0.37 C ATOM 795 O ALA A 54 -7.066 -6.665 -0.259 1.00 0.51 O ATOM 796 CB ALA A 54 -7.266 -8.885 2.311 1.00 0.61 C ATOM 0 H ALA A 54 -5.788 -7.709 3.735 1.00 0.43 H new ATOM 0 HA ALA A 54 -5.717 -8.298 0.997 1.00 0.46 H new ATOM 0 HB1 ALA A 54 -7.860 -9.321 1.508 1.00 0.61 H new ATOM 0 HB2 ALA A 54 -6.667 -9.663 2.784 1.00 0.61 H new ATOM 0 HB3 ALA A 54 -7.930 -8.438 3.051 1.00 0.61 H new ATOM 802 N GLN A 55 -7.632 -5.719 1.690 1.00 0.31 N ATOM 803 CA GLN A 55 -8.167 -4.514 1.079 1.00 0.27 C ATOM 804 C GLN A 55 -7.101 -3.742 0.299 1.00 0.23 C ATOM 805 O GLN A 55 -7.332 -3.388 -0.853 1.00 0.25 O ATOM 806 CB GLN A 55 -8.883 -3.614 2.089 1.00 0.33 C ATOM 807 CG GLN A 55 -10.236 -4.151 2.576 1.00 0.64 C ATOM 808 CD GLN A 55 -10.106 -5.064 3.793 1.00 1.59 C ATOM 809 OE1 GLN A 55 -9.292 -5.981 3.814 1.00 3.41 O ATOM 810 NE2 GLN A 55 -10.879 -4.795 4.843 1.00 1.06 N ATOM 0 H GLN A 55 -7.728 -5.749 2.705 1.00 0.31 H new ATOM 0 HA GLN A 55 -8.918 -4.845 0.362 1.00 0.27 H new ATOM 0 HB2 GLN A 55 -8.233 -3.469 2.952 1.00 0.33 H new ATOM 0 HB3 GLN A 55 -9.037 -2.634 1.637 1.00 0.33 H new ATOM 0 HG2 GLN A 55 -10.887 -3.312 2.824 1.00 0.64 H new ATOM 0 HG3 GLN A 55 -10.717 -4.699 1.766 1.00 0.64 H new ATOM 0 HE21 GLN A 55 -11.548 -4.027 4.800 1.00 1.06 H new ATOM 0 HE22 GLN A 55 -10.802 -5.357 5.690 1.00 1.06 H new ATOM 819 N VAL A 56 -5.945 -3.466 0.904 1.00 0.20 N ATOM 820 CA VAL A 56 -4.862 -2.735 0.266 1.00 0.20 C ATOM 821 C VAL A 56 -4.484 -3.429 -1.031 1.00 0.22 C ATOM 822 O VAL A 56 -4.467 -2.806 -2.087 1.00 0.25 O ATOM 823 CB VAL A 56 -3.634 -2.634 1.160 1.00 0.25 C ATOM 824 CG1 VAL A 56 -2.440 -2.091 0.363 1.00 0.32 C ATOM 825 CG2 VAL A 56 -3.913 -1.728 2.350 1.00 0.35 C ATOM 0 H VAL A 56 -5.737 -3.749 1.862 1.00 0.20 H new ATOM 0 HA VAL A 56 -5.214 -1.722 0.071 1.00 0.20 H new ATOM 0 HB VAL A 56 -3.394 -3.632 1.527 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -1.568 -2.024 1.014 1.00 0.32 H new ATOM 0 HG12 VAL A 56 -2.222 -2.762 -0.468 1.00 0.32 H new ATOM 0 HG13 VAL A 56 -2.681 -1.101 -0.024 1.00 0.32 H new ATOM 0 HG21 VAL A 56 -3.024 -1.668 2.978 1.00 0.35 H new ATOM 0 HG22 VAL A 56 -4.175 -0.731 1.995 1.00 0.35 H new ATOM 0 HG23 VAL A 56 -4.741 -2.135 2.931 1.00 0.35 H new ATOM 835 N GLU A 57 -4.157 -4.717 -0.953 1.00 0.25 N ATOM 836 CA GLU A 57 -3.708 -5.456 -2.111 1.00 0.36 C ATOM 837 C GLU A 57 -4.805 -5.480 -3.169 1.00 0.39 C ATOM 838 O GLU A 57 -4.534 -5.206 -4.336 1.00 0.44 O ATOM 839 CB GLU A 57 -3.169 -6.833 -1.703 1.00 0.47 C ATOM 840 CG GLU A 57 -4.185 -7.745 -1.039 1.00 0.83 C ATOM 841 CD GLU A 57 -3.497 -8.956 -0.425 1.00 1.44 C ATOM 842 OE1 GLU A 57 -2.613 -8.722 0.428 1.00 2.81 O ATOM 843 OE2 GLU A 57 -3.862 -10.078 -0.833 1.00 2.23 O ATOM 0 H GLU A 57 -4.198 -5.264 -0.093 1.00 0.25 H new ATOM 0 HA GLU A 57 -2.860 -4.954 -2.577 1.00 0.36 H new ATOM 0 HB2 GLU A 57 -2.779 -7.332 -2.590 1.00 0.47 H new ATOM 0 HB3 GLU A 57 -2.330 -6.692 -1.022 1.00 0.47 H new ATOM 0 HG2 GLU A 57 -4.725 -7.196 -0.267 1.00 0.83 H new ATOM 0 HG3 GLU A 57 -4.922 -8.072 -1.772 1.00 0.83 H new ATOM 850 N SER A 58 -6.057 -5.701 -2.762 1.00 0.41 N ATOM 851 CA SER A 58 -7.193 -5.554 -3.657 1.00 0.47 C ATOM 852 C SER A 58 -7.236 -4.152 -4.280 1.00 0.44 C ATOM 853 O SER A 58 -7.638 -4.008 -5.435 1.00 0.63 O ATOM 854 CB SER A 58 -8.500 -5.852 -2.914 1.00 0.54 C ATOM 855 OG SER A 58 -9.562 -5.981 -3.844 1.00 1.13 O ATOM 0 H SER A 58 -6.304 -5.983 -1.813 1.00 0.41 H new ATOM 0 HA SER A 58 -7.077 -6.274 -4.467 1.00 0.47 H new ATOM 0 HB2 SER A 58 -8.399 -6.769 -2.334 1.00 0.54 H new ATOM 0 HB3 SER A 58 -8.718 -5.051 -2.208 1.00 0.54 H new ATOM 0 HG SER A 58 -10.395 -6.173 -3.365 1.00 1.13 H new ATOM 861 N ALA A 59 -6.899 -3.110 -3.516 1.00 0.34 N ATOM 862 CA ALA A 59 -6.974 -1.727 -3.972 1.00 0.36 C ATOM 863 C ALA A 59 -5.888 -1.464 -5.012 1.00 0.31 C ATOM 864 O ALA A 59 -6.181 -1.017 -6.117 1.00 0.34 O ATOM 865 CB ALA A 59 -6.877 -0.750 -2.793 1.00 0.40 C ATOM 0 H ALA A 59 -6.564 -3.207 -2.557 1.00 0.34 H new ATOM 0 HA ALA A 59 -7.944 -1.563 -4.442 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -6.936 0.274 -3.163 1.00 0.40 H new ATOM 0 HB2 ALA A 59 -7.698 -0.933 -2.100 1.00 0.40 H new ATOM 0 HB3 ALA A 59 -5.928 -0.895 -2.277 1.00 0.40 H new ATOM 871 N LEU A 60 -4.637 -1.772 -4.674 1.00 0.25 N ATOM 872 CA LEU A 60 -3.500 -1.662 -5.576 1.00 0.23 C ATOM 873 C LEU A 60 -3.728 -2.496 -6.833 1.00 0.25 C ATOM 874 O LEU A 60 -3.466 -2.036 -7.942 1.00 0.28 O ATOM 875 CB LEU A 60 -2.215 -2.091 -4.850 1.00 0.22 C ATOM 876 CG LEU A 60 -1.453 -0.859 -4.341 1.00 0.30 C ATOM 877 CD1 LEU A 60 -2.212 -0.185 -3.196 1.00 0.35 C ATOM 878 CD2 LEU A 60 -0.065 -1.213 -3.819 1.00 0.52 C ATOM 0 H LEU A 60 -4.384 -2.111 -3.746 1.00 0.25 H new ATOM 0 HA LEU A 60 -3.391 -0.622 -5.885 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -2.463 -2.745 -4.014 1.00 0.22 H new ATOM 0 HB3 LEU A 60 -1.582 -2.665 -5.526 1.00 0.22 H new ATOM 0 HG LEU A 60 -1.361 -0.190 -5.196 1.00 0.30 H new ATOM 0 HD11 LEU A 60 -1.653 0.685 -2.852 1.00 0.35 H new ATOM 0 HD12 LEU A 60 -3.195 0.130 -3.547 1.00 0.35 H new ATOM 0 HD13 LEU A 60 -2.330 -0.890 -2.373 1.00 0.35 H new ATOM 0 HD21 LEU A 60 0.434 -0.309 -3.470 1.00 0.52 H new ATOM 0 HD22 LEU A 60 -0.156 -1.919 -2.993 1.00 0.52 H new ATOM 0 HD23 LEU A 60 0.520 -1.665 -4.620 1.00 0.52 H new ATOM 890 N GLN A 61 -4.224 -3.720 -6.674 1.00 0.29 N ATOM 891 CA GLN A 61 -4.531 -4.587 -7.791 1.00 0.38 C ATOM 892 C GLN A 61 -5.625 -3.965 -8.663 1.00 0.43 C ATOM 893 O GLN A 61 -5.517 -3.996 -9.885 1.00 0.51 O ATOM 894 CB GLN A 61 -4.874 -5.976 -7.254 1.00 0.40 C ATOM 895 CG GLN A 61 -5.057 -6.985 -8.384 1.00 0.59 C ATOM 896 CD GLN A 61 -4.947 -8.413 -7.865 1.00 1.07 C ATOM 897 OE1 GLN A 61 -5.942 -9.115 -7.730 1.00 1.53 O ATOM 898 NE2 GLN A 61 -3.727 -8.849 -7.560 1.00 1.36 N ATOM 0 H GLN A 61 -4.422 -4.133 -5.762 1.00 0.29 H new ATOM 0 HA GLN A 61 -3.669 -4.702 -8.448 1.00 0.38 H new ATOM 0 HB2 GLN A 61 -4.081 -6.315 -6.587 1.00 0.40 H new ATOM 0 HB3 GLN A 61 -5.787 -5.922 -6.662 1.00 0.40 H new ATOM 0 HG2 GLN A 61 -6.030 -6.839 -8.853 1.00 0.59 H new ATOM 0 HG3 GLN A 61 -4.304 -6.815 -9.153 1.00 0.59 H new ATOM 0 HE21 GLN A 61 -2.921 -8.237 -7.685 1.00 1.36 H new ATOM 0 HE22 GLN A 61 -3.598 -9.795 -7.201 1.00 1.36 H new ATOM 907 N LYS A 62 -6.652 -3.363 -8.051 1.00 0.43 N ATOM 908 CA LYS A 62 -7.644 -2.595 -8.801 1.00 0.50 C ATOM 909 C LYS A 62 -6.978 -1.444 -9.566 1.00 0.47 C ATOM 910 O LYS A 62 -7.251 -1.243 -10.747 1.00 0.54 O ATOM 911 CB LYS A 62 -8.760 -2.063 -7.879 1.00 0.71 C ATOM 912 CG LYS A 62 -10.105 -2.755 -8.136 1.00 1.15 C ATOM 913 CD LYS A 62 -10.119 -4.242 -7.741 1.00 1.59 C ATOM 914 CE LYS A 62 -11.035 -4.504 -6.538 1.00 1.99 C ATOM 915 NZ LYS A 62 -10.463 -3.975 -5.284 1.00 2.86 N ATOM 0 H LYS A 62 -6.814 -3.394 -7.045 1.00 0.43 H new ATOM 0 HA LYS A 62 -8.104 -3.268 -9.524 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -8.470 -2.211 -6.839 1.00 0.71 H new ATOM 0 HB3 LYS A 62 -8.872 -0.989 -8.029 1.00 0.71 H new ATOM 0 HG2 LYS A 62 -10.884 -2.233 -7.581 1.00 1.15 H new ATOM 0 HG3 LYS A 62 -10.353 -2.666 -9.194 1.00 1.15 H new ATOM 0 HD2 LYS A 62 -10.453 -4.840 -8.589 1.00 1.59 H new ATOM 0 HD3 LYS A 62 -9.105 -4.564 -7.503 1.00 1.59 H new ATOM 0 HE2 LYS A 62 -12.007 -4.045 -6.715 1.00 1.99 H new ATOM 0 HE3 LYS A 62 -11.203 -5.576 -6.436 1.00 1.99 H new ATOM 0 HZ1 LYS A 62 -10.441 -4.729 -4.568 1.00 2.86 H new ATOM 0 HZ2 LYS A 62 -9.496 -3.635 -5.460 1.00 2.86 H new ATOM 0 HZ3 LYS A 62 -11.049 -3.188 -4.940 1.00 2.86 H new ATOM 929 N ALA A 63 -6.133 -0.670 -8.883 1.00 0.45 N ATOM 930 CA ALA A 63 -5.462 0.489 -9.455 1.00 0.51 C ATOM 931 C ALA A 63 -4.550 0.086 -10.619 1.00 0.50 C ATOM 932 O ALA A 63 -4.449 0.815 -11.602 1.00 0.60 O ATOM 933 CB ALA A 63 -4.686 1.228 -8.362 1.00 0.54 C ATOM 0 H ALA A 63 -5.895 -0.836 -7.905 1.00 0.45 H new ATOM 0 HA ALA A 63 -6.214 1.165 -9.862 1.00 0.51 H new ATOM 0 HB1 ALA A 63 -4.185 2.095 -8.794 1.00 0.54 H new ATOM 0 HB2 ALA A 63 -5.376 1.557 -7.585 1.00 0.54 H new ATOM 0 HB3 ALA A 63 -3.943 0.559 -7.927 1.00 0.54 H new ATOM 939 N GLY A 64 -3.900 -1.075 -10.500 1.00 0.44 N ATOM 940 CA GLY A 64 -3.128 -1.709 -11.560 1.00 0.48 C ATOM 941 C GLY A 64 -1.678 -1.953 -11.150 1.00 0.45 C ATOM 942 O GLY A 64 -0.773 -1.789 -11.966 1.00 0.60 O ATOM 0 H GLY A 64 -3.900 -1.613 -9.633 1.00 0.44 H new ATOM 0 HA2 GLY A 64 -3.593 -2.658 -11.828 1.00 0.48 H new ATOM 0 HA3 GLY A 64 -3.151 -1.080 -12.450 1.00 0.48 H new ATOM 946 N TYR A 65 -1.447 -2.363 -9.900 1.00 0.31 N ATOM 947 CA TYR A 65 -0.147 -2.768 -9.397 1.00 0.32 C ATOM 948 C TYR A 65 -0.160 -4.265 -9.102 1.00 0.37 C ATOM 949 O TYR A 65 -1.214 -4.861 -8.902 1.00 0.61 O ATOM 950 CB TYR A 65 0.160 -1.976 -8.129 1.00 0.30 C ATOM 951 CG TYR A 65 0.312 -0.486 -8.349 1.00 0.36 C ATOM 952 CD1 TYR A 65 1.516 0.036 -8.858 1.00 1.88 C ATOM 953 CD2 TYR A 65 -0.779 0.370 -8.118 1.00 1.59 C ATOM 954 CE1 TYR A 65 1.625 1.408 -9.142 1.00 1.97 C ATOM 955 CE2 TYR A 65 -0.674 1.739 -8.413 1.00 1.54 C ATOM 956 CZ TYR A 65 0.524 2.257 -8.932 1.00 0.58 C ATOM 957 OH TYR A 65 0.607 3.583 -9.232 1.00 0.73 O ATOM 0 H TYR A 65 -2.184 -2.421 -9.197 1.00 0.31 H new ATOM 0 HA TYR A 65 0.624 -2.567 -10.141 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -0.638 -2.146 -7.406 1.00 0.30 H new ATOM 0 HB3 TYR A 65 1.078 -2.362 -7.686 1.00 0.30 H new ATOM 0 HD1 TYR A 65 2.357 -0.619 -9.031 1.00 1.88 H new ATOM 0 HD2 TYR A 65 -1.699 -0.026 -7.713 1.00 1.59 H new ATOM 0 HE1 TYR A 65 2.553 1.810 -9.521 1.00 1.97 H new ATOM 0 HE2 TYR A 65 -1.515 2.394 -8.241 1.00 1.54 H new ATOM 0 HH TYR A 65 -0.246 4.019 -9.025 1.00 0.73 H new ATOM 967 N SER A 66 1.030 -4.866 -9.053 1.00 0.41 N ATOM 968 CA SER A 66 1.230 -6.281 -8.786 1.00 0.45 C ATOM 969 C SER A 66 2.051 -6.414 -7.510 1.00 0.43 C ATOM 970 O SER A 66 3.233 -6.746 -7.571 1.00 0.59 O ATOM 971 CB SER A 66 1.937 -6.934 -9.980 1.00 0.63 C ATOM 972 OG SER A 66 1.125 -6.829 -11.132 1.00 1.43 O ATOM 0 H SER A 66 1.904 -4.362 -9.203 1.00 0.41 H new ATOM 0 HA SER A 66 0.276 -6.790 -8.648 1.00 0.45 H new ATOM 0 HB2 SER A 66 2.898 -6.449 -10.155 1.00 0.63 H new ATOM 0 HB3 SER A 66 2.144 -7.982 -9.764 1.00 0.63 H new ATOM 0 HG SER A 66 1.581 -7.246 -11.893 1.00 1.43 H new ATOM 978 N LEU A 67 1.436 -6.129 -6.358 1.00 0.32 N ATOM 979 CA LEU A 67 2.111 -6.321 -5.082 1.00 0.32 C ATOM 980 C LEU A 67 2.057 -7.762 -4.595 1.00 0.33 C ATOM 981 O LEU A 67 1.326 -8.591 -5.135 1.00 0.39 O ATOM 982 CB LEU A 67 1.725 -5.293 -4.027 1.00 0.32 C ATOM 983 CG LEU A 67 0.530 -5.693 -3.176 1.00 0.55 C ATOM 984 CD1 LEU A 67 0.188 -4.450 -2.370 1.00 1.57 C ATOM 985 CD2 LEU A 67 -0.639 -5.981 -4.089 1.00 1.59 C ATOM 0 H LEU A 67 0.484 -5.769 -6.288 1.00 0.32 H new ATOM 0 HA LEU A 67 3.166 -6.125 -5.273 1.00 0.32 H new ATOM 0 HB2 LEU A 67 2.580 -5.120 -3.374 1.00 0.32 H new ATOM 0 HB3 LEU A 67 1.505 -4.347 -4.521 1.00 0.32 H new ATOM 0 HG LEU A 67 0.738 -6.565 -2.555 1.00 0.55 H new ATOM 0 HD11 LEU A 67 -0.668 -4.657 -1.728 1.00 1.57 H new ATOM 0 HD12 LEU A 67 1.043 -4.168 -1.756 1.00 1.57 H new ATOM 0 HD13 LEU A 67 -0.057 -3.633 -3.048 1.00 1.57 H new ATOM 0 HD21 LEU A 67 -1.504 -6.270 -3.492 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -0.878 -5.088 -4.667 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -0.379 -6.793 -4.768 1.00 1.59 H new ATOM 997 N ARG A 68 2.842 -8.044 -3.557 1.00 0.32 N ATOM 998 CA ARG A 68 2.787 -9.291 -2.828 1.00 0.36 C ATOM 999 C ARG A 68 2.872 -8.972 -1.336 1.00 0.32 C ATOM 1000 O ARG A 68 3.701 -8.153 -0.936 1.00 0.34 O ATOM 1001 CB ARG A 68 3.949 -10.180 -3.276 1.00 0.51 C ATOM 1002 CG ARG A 68 3.677 -11.648 -2.940 1.00 0.57 C ATOM 1003 CD ARG A 68 3.057 -12.389 -4.134 1.00 1.11 C ATOM 1004 NE ARG A 68 2.830 -13.809 -3.820 1.00 1.63 N ATOM 1005 CZ ARG A 68 2.561 -14.768 -4.723 1.00 2.49 C ATOM 1006 NH1 ARG A 68 2.423 -14.450 -6.015 1.00 3.17 N ATOM 1007 NH2 ARG A 68 2.437 -16.042 -4.332 1.00 3.33 N ATOM 0 H ARG A 68 3.543 -7.395 -3.200 1.00 0.32 H new ATOM 0 HA ARG A 68 1.857 -9.825 -3.023 1.00 0.36 H new ATOM 0 HB2 ARG A 68 4.102 -10.071 -4.350 1.00 0.51 H new ATOM 0 HB3 ARG A 68 4.869 -9.856 -2.789 1.00 0.51 H new ATOM 0 HG2 ARG A 68 4.608 -12.135 -2.651 1.00 0.57 H new ATOM 0 HG3 ARG A 68 3.006 -11.709 -2.083 1.00 0.57 H new ATOM 0 HD2 ARG A 68 2.112 -11.919 -4.406 1.00 1.11 H new ATOM 0 HD3 ARG A 68 3.715 -12.306 -4.999 1.00 1.11 H new ATOM 0 HE ARG A 68 2.881 -14.087 -2.840 1.00 1.63 H new ATOM 0 HH11 ARG A 68 2.522 -13.480 -6.315 1.00 3.17 H new ATOM 0 HH12 ARG A 68 2.219 -15.177 -6.700 1.00 3.17 H new ATOM 0 HH21 ARG A 68 2.547 -16.286 -3.348 1.00 3.33 H new ATOM 0 HH22 ARG A 68 2.233 -16.769 -5.018 1.00 3.33 H new ATOM 1021 N ASP A 69 2.005 -9.620 -0.551 1.00 0.46 N ATOM 1022 CA ASP A 69 1.929 -9.542 0.900 1.00 0.65 C ATOM 1023 C ASP A 69 3.280 -9.822 1.554 1.00 0.74 C ATOM 1024 O ASP A 69 3.804 -10.930 1.422 1.00 1.09 O ATOM 1025 CB ASP A 69 0.839 -10.507 1.377 1.00 0.97 C ATOM 1026 CG ASP A 69 0.582 -10.458 2.876 1.00 1.92 C ATOM 1027 OD1 ASP A 69 1.367 -9.806 3.606 1.00 2.48 O ATOM 1028 OD2 ASP A 69 -0.392 -11.124 3.284 1.00 3.19 O ATOM 0 H ASP A 69 1.300 -10.247 -0.940 1.00 0.46 H new ATOM 0 HA ASP A 69 1.665 -8.528 1.201 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -0.089 -10.279 0.852 1.00 0.97 H new ATOM 0 HB3 ASP A 69 1.121 -11.523 1.100 1.00 0.97 H new ATOM 1033 N GLU A 70 3.818 -8.821 2.261 1.00 0.65 N ATOM 1034 CA GLU A 70 4.869 -9.003 3.244 1.00 0.92 C ATOM 1035 C GLU A 70 4.468 -8.312 4.548 1.00 1.20 C ATOM 1036 O GLU A 70 5.154 -7.420 5.054 1.00 1.17 O ATOM 1037 CB GLU A 70 6.227 -8.550 2.698 1.00 1.00 C ATOM 1038 CG GLU A 70 6.764 -9.614 1.726 1.00 1.85 C ATOM 1039 CD GLU A 70 8.172 -9.324 1.224 1.00 2.50 C ATOM 1040 OE1 GLU A 70 8.586 -8.150 1.293 1.00 2.27 O ATOM 1041 OE2 GLU A 70 8.773 -10.282 0.678 1.00 3.86 O ATOM 0 H GLU A 70 3.524 -7.850 2.157 1.00 0.65 H new ATOM 0 HA GLU A 70 4.991 -10.064 3.464 1.00 0.92 H new ATOM 0 HB2 GLU A 70 6.126 -7.592 2.187 1.00 1.00 H new ATOM 0 HB3 GLU A 70 6.930 -8.401 3.517 1.00 1.00 H new ATOM 0 HG2 GLU A 70 6.757 -10.584 2.222 1.00 1.85 H new ATOM 0 HG3 GLU A 70 6.090 -9.687 0.872 1.00 1.85 H new ATOM 1048 N GLN A 71 3.356 -8.754 5.139 1.00 1.82 N ATOM 1049 CA GLN A 71 3.130 -8.529 6.558 1.00 2.26 C ATOM 1050 C GLN A 71 4.290 -9.053 7.399 1.00 0.66 C ATOM 1051 O GLN A 71 5.168 -9.774 6.930 1.00 2.17 O ATOM 1052 CB GLN A 71 1.838 -9.192 7.027 1.00 4.17 C ATOM 1053 CG GLN A 71 1.896 -10.721 6.864 1.00 4.73 C ATOM 1054 CD GLN A 71 0.601 -11.256 6.273 1.00 5.84 C ATOM 1055 OE1 GLN A 71 -0.476 -10.781 6.632 1.00 7.54 O ATOM 1056 NE2 GLN A 71 0.701 -12.215 5.363 1.00 5.17 N ATOM 0 H GLN A 71 2.611 -9.262 4.661 1.00 1.82 H new ATOM 0 HA GLN A 71 3.050 -7.450 6.693 1.00 2.26 H new ATOM 0 HB2 GLN A 71 1.659 -8.943 8.073 1.00 4.17 H new ATOM 0 HB3 GLN A 71 0.997 -8.796 6.457 1.00 4.17 H new ATOM 0 HG2 GLN A 71 2.733 -10.990 6.219 1.00 4.73 H new ATOM 0 HG3 GLN A 71 2.078 -11.187 7.833 1.00 4.73 H new ATOM 0 HE21 GLN A 71 1.618 -12.575 5.100 1.00 5.17 H new ATOM 0 HE22 GLN A 71 -0.140 -12.593 4.926 1.00 5.17 H new ATOM 1065 N ALA A 72 4.228 -8.699 8.680 1.00 1.25 N ATOM 1066 CA ALA A 72 5.232 -9.051 9.676 1.00 2.39 C ATOM 1067 C ALA A 72 6.646 -8.723 9.187 1.00 2.96 C ATOM 1068 O ALA A 72 7.590 -9.476 9.414 1.00 4.20 O ATOM 1069 CB ALA A 72 5.086 -10.527 10.070 1.00 3.59 C ATOM 0 H ALA A 72 3.460 -8.147 9.062 1.00 1.25 H new ATOM 0 HA ALA A 72 5.066 -8.446 10.567 1.00 2.39 H new ATOM 0 HB1 ALA A 72 5.840 -10.781 10.815 1.00 3.59 H new ATOM 0 HB2 ALA A 72 4.093 -10.696 10.487 1.00 3.59 H new ATOM 0 HB3 ALA A 72 5.221 -11.154 9.189 1.00 3.59 H new ATOM 1075 N ALA A 73 6.787 -7.576 8.520 1.00 2.56 N ATOM 1076 CA ALA A 73 8.061 -7.094 8.031 1.00 3.74 C ATOM 1077 C ALA A 73 8.999 -6.826 9.211 1.00 3.51 C ATOM 1078 O ALA A 73 8.593 -6.171 10.172 1.00 3.56 O ATOM 1079 CB ALA A 73 7.808 -5.819 7.224 1.00 5.40 C ATOM 0 H ALA A 73 6.006 -6.956 8.307 1.00 2.56 H new ATOM 0 HA ALA A 73 8.537 -7.837 7.392 1.00 3.74 H new ATOM 0 HB1 ALA A 73 8.755 -5.435 6.844 1.00 5.40 H new ATOM 0 HB2 ALA A 73 7.145 -6.043 6.388 1.00 5.40 H new ATOM 0 HB3 ALA A 73 7.344 -5.069 7.864 1.00 5.40 H new ATOM 1085 N GLU A 74 10.242 -7.295 9.116 1.00 4.29 N ATOM 1086 CA GLU A 74 11.317 -6.865 9.993 1.00 4.84 C ATOM 1087 C GLU A 74 11.859 -5.549 9.423 1.00 6.14 C ATOM 1088 O GLU A 74 12.986 -5.549 8.884 1.00 7.45 O ATOM 1089 CB GLU A 74 12.366 -7.982 10.104 1.00 5.49 C ATOM 1090 CG GLU A 74 11.763 -9.229 10.778 1.00 5.24 C ATOM 1091 CD GLU A 74 12.753 -10.381 10.922 1.00 6.45 C ATOM 1092 OE1 GLU A 74 13.869 -10.261 10.373 1.00 7.63 O ATOM 1093 OE2 GLU A 74 12.368 -11.369 11.583 1.00 6.67 O ATOM 1094 OXT GLU A 74 11.095 -4.557 9.477 1.00 6.39 O ATOM 0 H GLU A 74 10.528 -7.987 8.423 1.00 4.29 H new ATOM 0 HA GLU A 74 10.982 -6.679 11.014 1.00 4.84 H new ATOM 0 HB2 GLU A 74 12.735 -8.241 9.112 1.00 5.49 H new ATOM 0 HB3 GLU A 74 13.221 -7.629 10.680 1.00 5.49 H new ATOM 0 HG2 GLU A 74 11.391 -8.955 11.765 1.00 5.24 H new ATOM 0 HG3 GLU A 74 10.905 -9.568 10.197 1.00 5.24 H new TER 1101 GLU A 74 HETATM 1102 ZN ZN A 75 4.817 6.373 -12.303 1.00 0.77 ZN