USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 888 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 Single : A 29 SER OG : rot 126:sc= -0.303 USER MOD Single : A 30 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.048) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.19) USER MOD Single : A 41 MET CE :methyl -162:sc= 0 (180deg=-0.0201) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0291) USER MOD Single : A 46 ASN : amide:sc=-0.00173 K(o=-0.0017,f=-0.71) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 62:sc= 0.0114 USER MOD Single : A 54 THR OG1 : rot 156:sc= -0.286 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0556) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 73:sc= 1.13 USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.0871 (180deg=-0.368) USER MOD Single : A 79 THR OG1 : rot -52:sc= 0.547 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= -0.0601 (180deg=-0.313) USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= 0.352 (180deg=-0.145) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0703) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 157:sc= 1.24 (180deg=1.12) USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= -0.0169 (180deg=-0.158) USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= 2.45 (180deg=1.68) USER MOD Single : A 97 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.97) USER MOD Single : A 104 LYS NZ :NH3+ 154:sc= 1.12 (180deg=0.423) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -176:sc= 1.22 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0062) USER MOD Single : A 119 SER OG : rot -112:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -4.820 12.963 -4.143 1.00 1.16 N ATOM 2 CA GLY A 22 -4.441 12.312 -2.868 1.00 1.05 C ATOM 3 C GLY A 22 -3.923 10.908 -3.086 1.00 0.87 C ATOM 4 O GLY A 22 -4.337 10.233 -4.031 1.00 0.89 O ATOM 0 HA2 GLY A 22 -3.677 12.908 -2.369 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -5.305 12.282 -2.205 1.00 1.05 H new ATOM 7 N LEU A 23 -3.034 10.460 -2.211 1.00 0.75 N ATOM 8 CA LEU A 23 -2.447 9.136 -2.335 1.00 0.62 C ATOM 9 C LEU A 23 -2.446 8.403 -0.995 1.00 0.51 C ATOM 10 O LEU A 23 -2.031 8.952 0.029 1.00 0.59 O ATOM 11 CB LEU A 23 -1.012 9.239 -2.864 1.00 0.75 C ATOM 12 CG LEU A 23 -0.283 7.903 -3.031 1.00 1.22 C ATOM 13 CD1 LEU A 23 -0.941 7.061 -4.112 1.00 1.78 C ATOM 14 CD2 LEU A 23 1.184 8.134 -3.349 1.00 1.91 C ATOM 0 H LEU A 23 -2.704 10.995 -1.408 1.00 0.75 H new ATOM 0 HA LEU A 23 -3.055 8.568 -3.039 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -1.033 9.747 -3.828 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.435 9.867 -2.185 1.00 0.75 H new ATOM 0 HG LEU A 23 -0.349 7.357 -2.090 1.00 1.22 H new ATOM 0 HD11 LEU A 23 -0.406 6.117 -4.213 1.00 1.78 H new ATOM 0 HD12 LEU A 23 -1.978 6.864 -3.839 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -0.911 7.598 -5.060 1.00 1.78 H new ATOM 0 HD21 LEU A 23 1.687 7.174 -3.464 1.00 1.91 H new ATOM 0 HD22 LEU A 23 1.270 8.703 -4.275 1.00 1.91 H new ATOM 0 HD23 LEU A 23 1.649 8.692 -2.536 1.00 1.91 H new ATOM 26 N LEU A 24 -2.925 7.171 -1.012 1.00 0.40 N ATOM 27 CA LEU A 24 -2.844 6.298 0.144 1.00 0.39 C ATOM 28 C LEU A 24 -2.048 5.066 -0.248 1.00 0.38 C ATOM 29 O LEU A 24 -2.219 4.532 -1.343 1.00 0.50 O ATOM 30 CB LEU A 24 -4.253 5.910 0.649 1.00 0.44 C ATOM 31 CG LEU A 24 -4.284 5.071 1.935 1.00 0.50 C ATOM 32 CD1 LEU A 24 -5.571 5.326 2.693 1.00 1.02 C ATOM 33 CD2 LEU A 24 -4.160 3.584 1.626 1.00 1.24 C ATOM 0 H LEU A 24 -3.378 6.750 -1.823 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.346 6.816 0.963 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.824 6.823 0.817 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.763 5.355 -0.139 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.434 5.368 2.549 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -5.582 4.726 3.603 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -5.636 6.382 2.954 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -6.421 5.053 2.068 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -4.185 3.016 2.556 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -4.989 3.274 0.989 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -3.217 3.397 1.112 1.00 1.24 H new ATOM 45 N VAL A 25 -1.166 4.629 0.632 1.00 0.37 N ATOM 46 CA VAL A 25 -0.306 3.501 0.338 1.00 0.40 C ATOM 47 C VAL A 25 -0.359 2.492 1.474 1.00 0.42 C ATOM 48 O VAL A 25 -0.525 2.858 2.631 1.00 0.56 O ATOM 49 CB VAL A 25 1.165 3.943 0.120 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.020 2.784 -0.377 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.248 5.115 -0.848 1.00 0.84 C ATOM 0 H VAL A 25 -1.027 5.039 1.556 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.670 3.046 -0.583 1.00 0.40 H new ATOM 0 HB VAL A 25 1.555 4.267 1.085 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.046 3.124 -0.521 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.004 1.979 0.358 1.00 0.95 H new ATOM 0 HG13 VAL A 25 1.623 2.419 -1.324 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.291 5.403 -0.982 1.00 0.84 H new ATOM 0 HG22 VAL A 25 0.826 4.823 -1.810 1.00 0.84 H new ATOM 0 HG23 VAL A 25 0.687 5.959 -0.447 1.00 0.84 H new ATOM 61 N LEU A 26 -0.247 1.227 1.144 1.00 0.46 N ATOM 62 CA LEU A 26 -0.154 0.191 2.153 1.00 0.57 C ATOM 63 C LEU A 26 0.829 -0.872 1.695 1.00 0.51 C ATOM 64 O LEU A 26 0.955 -1.137 0.498 1.00 0.58 O ATOM 65 CB LEU A 26 -1.544 -0.402 2.450 1.00 0.75 C ATOM 66 CG LEU A 26 -2.249 -1.055 1.261 1.00 0.74 C ATOM 67 CD1 LEU A 26 -1.866 -2.526 1.116 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.753 -0.909 1.392 1.00 1.00 C ATOM 0 H LEU A 26 -0.218 0.887 0.183 1.00 0.46 H new ATOM 0 HA LEU A 26 0.216 0.619 3.085 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -1.441 -1.144 3.242 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.183 0.391 2.838 1.00 0.75 H new ATOM 0 HG LEU A 26 -1.921 -0.539 0.359 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -2.387 -2.955 0.260 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -0.790 -2.608 0.964 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -2.147 -3.066 2.020 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.240 -1.379 0.538 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -4.087 -1.391 2.311 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -4.015 0.149 1.422 1.00 1.00 H new ATOM 80 N ILE A 27 1.539 -1.460 2.639 1.00 0.50 N ATOM 81 CA ILE A 27 2.567 -2.430 2.312 1.00 0.49 C ATOM 82 C ILE A 27 2.533 -3.604 3.283 1.00 0.51 C ATOM 83 O ILE A 27 2.596 -3.425 4.503 1.00 0.72 O ATOM 84 CB ILE A 27 3.977 -1.781 2.307 1.00 0.59 C ATOM 85 CG1 ILE A 27 5.059 -2.837 2.052 1.00 0.87 C ATOM 86 CG2 ILE A 27 4.245 -1.043 3.612 1.00 1.00 C ATOM 87 CD1 ILE A 27 6.468 -2.285 2.085 1.00 0.96 C ATOM 0 H ILE A 27 1.423 -1.283 3.637 1.00 0.50 H new ATOM 0 HA ILE A 27 2.360 -2.800 1.308 1.00 0.49 H new ATOM 0 HB ILE A 27 4.008 -1.054 1.496 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.969 -3.624 2.800 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.882 -3.299 1.081 1.00 0.87 H new ATOM 0 HG21 ILE A 27 5.240 -0.598 3.581 1.00 1.00 H new ATOM 0 HG22 ILE A 27 3.501 -0.258 3.746 1.00 1.00 H new ATOM 0 HG23 ILE A 27 4.187 -1.744 4.445 1.00 1.00 H new ATOM 0 HD11 ILE A 27 7.179 -3.090 1.896 1.00 0.96 H new ATOM 0 HD12 ILE A 27 6.576 -1.518 1.318 1.00 0.96 H new ATOM 0 HD13 ILE A 27 6.665 -1.849 3.064 1.00 0.96 H new ATOM 99 N TRP A 28 2.409 -4.803 2.740 1.00 0.45 N ATOM 100 CA TRP A 28 2.429 -5.999 3.558 1.00 0.48 C ATOM 101 C TRP A 28 3.630 -6.849 3.172 1.00 0.48 C ATOM 102 O TRP A 28 3.605 -7.575 2.177 1.00 0.49 O ATOM 103 CB TRP A 28 1.135 -6.798 3.388 1.00 0.56 C ATOM 104 CG TRP A 28 0.836 -7.692 4.554 1.00 0.89 C ATOM 105 CD1 TRP A 28 0.000 -7.414 5.591 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.372 -8.997 4.809 1.00 1.15 C ATOM 107 NE1 TRP A 28 -0.018 -8.460 6.477 1.00 2.09 N ATOM 108 CE2 TRP A 28 0.812 -9.446 6.020 1.00 1.83 C ATOM 109 CE3 TRP A 28 2.267 -9.829 4.134 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.118 -10.688 6.567 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.572 -11.062 4.679 1.00 1.61 C ATOM 112 CH2 TRP A 28 1.999 -11.481 5.885 1.00 2.06 C ATOM 0 H TRP A 28 2.294 -4.972 1.741 1.00 0.45 H new ATOM 0 HA TRP A 28 2.508 -5.711 4.606 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.304 -6.106 3.246 1.00 0.56 H new ATOM 0 HB3 TRP A 28 1.205 -7.402 2.483 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -0.567 -6.501 5.700 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -0.563 -8.497 7.338 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.713 -9.515 3.202 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 0.676 -11.014 7.497 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 3.264 -11.713 4.166 1.00 1.61 H new ATOM 0 HH2 TRP A 28 2.258 -12.450 6.285 1.00 2.06 H new ATOM 123 N SER A 29 4.690 -6.713 3.944 1.00 0.50 N ATOM 124 CA SER A 29 5.901 -7.484 3.743 1.00 0.54 C ATOM 125 C SER A 29 6.502 -7.833 5.096 1.00 0.60 C ATOM 126 O SER A 29 6.039 -7.329 6.124 1.00 0.87 O ATOM 127 CB SER A 29 6.892 -6.672 2.906 1.00 0.57 C ATOM 128 OG SER A 29 7.105 -5.389 3.471 1.00 1.29 O ATOM 0 H SER A 29 4.736 -6.064 4.729 1.00 0.50 H new ATOM 0 HA SER A 29 5.671 -8.407 3.210 1.00 0.54 H new ATOM 0 HB2 SER A 29 7.840 -7.206 2.840 1.00 0.57 H new ATOM 0 HB3 SER A 29 6.514 -6.567 1.889 1.00 0.57 H new ATOM 0 HG SER A 29 8.065 -5.247 3.607 1.00 1.29 H new ATOM 134 N ASN A 30 7.514 -8.685 5.119 1.00 0.65 N ATOM 135 CA ASN A 30 8.268 -8.894 6.343 1.00 0.69 C ATOM 136 C ASN A 30 9.749 -8.997 6.016 1.00 0.68 C ATOM 137 O ASN A 30 10.342 -10.078 6.030 1.00 0.75 O ATOM 138 CB ASN A 30 7.789 -10.151 7.078 1.00 0.81 C ATOM 139 CG ASN A 30 8.268 -10.198 8.521 1.00 1.55 C ATOM 140 OD1 ASN A 30 9.326 -9.664 8.862 1.00 2.33 O ATOM 141 ND2 ASN A 30 7.492 -10.837 9.382 1.00 2.23 N ATOM 0 H ASN A 30 7.828 -9.234 4.319 1.00 0.65 H new ATOM 0 HA ASN A 30 8.105 -8.043 7.004 1.00 0.69 H new ATOM 0 HB2 ASN A 30 6.700 -10.187 7.058 1.00 0.81 H new ATOM 0 HB3 ASN A 30 8.147 -11.035 6.551 1.00 0.81 H new ATOM 0 HD21 ASN A 30 7.763 -10.899 10.363 1.00 2.23 H new ATOM 0 HD22 ASN A 30 6.623 -11.267 9.064 1.00 2.23 H new ATOM 148 N ASP A 31 10.325 -7.854 5.690 1.00 0.63 N ATOM 149 CA ASP A 31 11.760 -7.722 5.502 1.00 0.64 C ATOM 150 C ASP A 31 12.314 -6.771 6.555 1.00 0.65 C ATOM 151 O ASP A 31 11.540 -6.095 7.233 1.00 0.78 O ATOM 152 CB ASP A 31 12.063 -7.205 4.093 1.00 0.67 C ATOM 153 CG ASP A 31 13.543 -7.186 3.760 1.00 0.72 C ATOM 154 OD1 ASP A 31 14.095 -8.247 3.414 1.00 1.45 O ATOM 155 OD2 ASP A 31 14.159 -6.105 3.837 1.00 1.13 O ATOM 0 H ASP A 31 9.808 -6.986 5.547 1.00 0.63 H new ATOM 0 HA ASP A 31 12.236 -8.696 5.613 1.00 0.64 H new ATOM 0 HB2 ASP A 31 11.543 -7.829 3.366 1.00 0.67 H new ATOM 0 HB3 ASP A 31 11.663 -6.196 3.991 1.00 0.67 H new ATOM 160 N LYS A 32 13.623 -6.700 6.700 1.00 0.69 N ATOM 161 CA LYS A 32 14.213 -5.698 7.575 1.00 0.77 C ATOM 162 C LYS A 32 14.144 -4.320 6.915 1.00 0.71 C ATOM 163 O LYS A 32 13.574 -3.375 7.466 1.00 0.77 O ATOM 164 CB LYS A 32 15.674 -6.031 7.909 1.00 0.97 C ATOM 165 CG LYS A 32 15.871 -6.973 9.098 1.00 1.52 C ATOM 166 CD LYS A 32 15.840 -8.447 8.707 1.00 2.06 C ATOM 167 CE LYS A 32 14.436 -9.026 8.742 1.00 2.28 C ATOM 168 NZ LYS A 32 14.434 -10.477 8.414 1.00 3.05 N ATOM 0 H LYS A 32 14.292 -7.312 6.233 1.00 0.69 H new ATOM 0 HA LYS A 32 13.642 -5.693 8.504 1.00 0.77 H new ATOM 0 HB2 LYS A 32 16.138 -6.479 7.030 1.00 0.97 H new ATOM 0 HB3 LYS A 32 16.205 -5.101 8.111 1.00 0.97 H new ATOM 0 HG2 LYS A 32 16.825 -6.750 9.576 1.00 1.52 H new ATOM 0 HG3 LYS A 32 15.092 -6.783 9.837 1.00 1.52 H new ATOM 0 HD2 LYS A 32 16.253 -8.563 7.705 1.00 2.06 H new ATOM 0 HD3 LYS A 32 16.480 -9.013 9.383 1.00 2.06 H new ATOM 0 HE2 LYS A 32 14.004 -8.875 9.731 1.00 2.28 H new ATOM 0 HE3 LYS A 32 13.803 -8.491 8.033 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 13.460 -10.839 8.447 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 14.823 -10.618 7.460 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 15.018 -10.990 9.105 1.00 3.05 H new ATOM 182 N LYS A 33 14.688 -4.237 5.710 1.00 0.71 N ATOM 183 CA LYS A 33 14.875 -2.961 5.030 1.00 0.75 C ATOM 184 C LYS A 33 13.683 -2.599 4.155 1.00 0.64 C ATOM 185 O LYS A 33 13.276 -1.442 4.118 1.00 0.63 O ATOM 186 CB LYS A 33 16.146 -3.000 4.179 1.00 0.94 C ATOM 187 CG LYS A 33 17.413 -3.234 4.984 1.00 1.55 C ATOM 188 CD LYS A 33 17.675 -2.093 5.952 1.00 2.09 C ATOM 189 CE LYS A 33 18.872 -2.376 6.841 1.00 2.72 C ATOM 190 NZ LYS A 33 20.138 -2.510 6.069 1.00 3.16 N ATOM 0 H LYS A 33 15.011 -5.045 5.178 1.00 0.71 H new ATOM 0 HA LYS A 33 14.968 -2.194 5.799 1.00 0.75 H new ATOM 0 HB2 LYS A 33 16.049 -3.789 3.433 1.00 0.94 H new ATOM 0 HB3 LYS A 33 16.239 -2.059 3.637 1.00 0.94 H new ATOM 0 HG2 LYS A 33 17.327 -4.169 5.537 1.00 1.55 H new ATOM 0 HG3 LYS A 33 18.261 -3.341 4.307 1.00 1.55 H new ATOM 0 HD2 LYS A 33 17.846 -1.173 5.393 1.00 2.09 H new ATOM 0 HD3 LYS A 33 16.792 -1.930 6.571 1.00 2.09 H new ATOM 0 HE2 LYS A 33 18.978 -1.572 7.569 1.00 2.72 H new ATOM 0 HE3 LYS A 33 18.694 -3.293 7.403 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 20.938 -2.601 6.727 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 20.089 -3.355 5.465 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 20.273 -1.667 5.475 1.00 3.16 H new ATOM 204 N LEU A 34 13.125 -3.588 3.458 1.00 0.62 N ATOM 205 CA LEU A 34 12.036 -3.349 2.505 1.00 0.61 C ATOM 206 C LEU A 34 10.884 -2.609 3.184 1.00 0.54 C ATOM 207 O LEU A 34 10.283 -1.707 2.599 1.00 0.61 O ATOM 208 CB LEU A 34 11.566 -4.686 1.901 1.00 0.66 C ATOM 209 CG LEU A 34 10.689 -4.609 0.629 1.00 0.80 C ATOM 210 CD1 LEU A 34 9.232 -4.368 0.980 1.00 1.22 C ATOM 211 CD2 LEU A 34 11.186 -3.516 -0.300 1.00 1.59 C ATOM 0 H LEU A 34 13.408 -4.565 3.534 1.00 0.62 H new ATOM 0 HA LEU A 34 12.401 -2.718 1.695 1.00 0.61 H new ATOM 0 HB2 LEU A 34 12.448 -5.282 1.669 1.00 0.66 H new ATOM 0 HB3 LEU A 34 11.008 -5.226 2.666 1.00 0.66 H new ATOM 0 HG LEU A 34 10.765 -5.569 0.118 1.00 0.80 H new ATOM 0 HD11 LEU A 34 8.641 -4.319 0.066 1.00 1.22 H new ATOM 0 HD12 LEU A 34 8.868 -5.184 1.604 1.00 1.22 H new ATOM 0 HD13 LEU A 34 9.139 -3.427 1.523 1.00 1.22 H new ATOM 0 HD21 LEU A 34 10.555 -3.479 -1.188 1.00 1.59 H new ATOM 0 HD22 LEU A 34 11.146 -2.556 0.214 1.00 1.59 H new ATOM 0 HD23 LEU A 34 12.214 -3.728 -0.594 1.00 1.59 H new ATOM 223 N ILE A 35 10.604 -2.973 4.428 1.00 0.48 N ATOM 224 CA ILE A 35 9.577 -2.294 5.203 1.00 0.49 C ATOM 225 C ILE A 35 10.044 -0.901 5.611 1.00 0.48 C ATOM 226 O ILE A 35 9.394 0.093 5.300 1.00 0.53 O ATOM 227 CB ILE A 35 9.201 -3.084 6.476 1.00 0.55 C ATOM 228 CG1 ILE A 35 8.633 -4.454 6.108 1.00 0.61 C ATOM 229 CG2 ILE A 35 8.198 -2.301 7.316 1.00 0.64 C ATOM 230 CD1 ILE A 35 8.295 -5.307 7.309 1.00 1.01 C ATOM 0 H ILE A 35 11.073 -3.733 4.920 1.00 0.48 H new ATOM 0 HA ILE A 35 8.697 -2.220 4.563 1.00 0.49 H new ATOM 0 HB ILE A 35 10.105 -3.232 7.067 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.735 -4.317 5.505 1.00 0.61 H new ATOM 0 HG13 ILE A 35 9.356 -4.984 5.487 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.945 -2.874 8.208 1.00 0.64 H new ATOM 0 HG22 ILE A 35 8.635 -1.347 7.609 1.00 0.64 H new ATOM 0 HG23 ILE A 35 7.295 -2.122 6.732 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.897 -6.265 6.974 1.00 1.01 H new ATOM 0 HD12 ILE A 35 9.195 -5.475 7.901 1.00 1.01 H new ATOM 0 HD13 ILE A 35 7.549 -4.797 7.919 1.00 1.01 H new ATOM 242 N GLU A 36 11.189 -0.844 6.285 1.00 0.50 N ATOM 243 CA GLU A 36 11.677 0.393 6.887 1.00 0.53 C ATOM 244 C GLU A 36 11.942 1.476 5.838 1.00 0.48 C ATOM 245 O GLU A 36 11.625 2.647 6.054 1.00 0.51 O ATOM 246 CB GLU A 36 12.948 0.105 7.691 1.00 0.66 C ATOM 247 CG GLU A 36 13.346 1.224 8.640 1.00 1.22 C ATOM 248 CD GLU A 36 12.246 1.581 9.625 1.00 1.73 C ATOM 249 OE1 GLU A 36 11.593 0.659 10.170 1.00 2.62 O ATOM 250 OE2 GLU A 36 12.041 2.788 9.873 1.00 2.01 O ATOM 0 H GLU A 36 11.801 -1.647 6.429 1.00 0.50 H new ATOM 0 HA GLU A 36 10.901 0.774 7.551 1.00 0.53 H new ATOM 0 HB2 GLU A 36 12.803 -0.810 8.265 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.769 -0.080 6.999 1.00 0.66 H new ATOM 0 HG2 GLU A 36 14.238 0.926 9.191 1.00 1.22 H new ATOM 0 HG3 GLU A 36 13.610 2.109 8.061 1.00 1.22 H new ATOM 257 N GLU A 37 12.505 1.085 4.700 1.00 0.48 N ATOM 258 CA GLU A 37 12.827 2.034 3.639 1.00 0.51 C ATOM 259 C GLU A 37 11.564 2.638 3.036 1.00 0.44 C ATOM 260 O GLU A 37 11.493 3.848 2.811 1.00 0.48 O ATOM 261 CB GLU A 37 13.663 1.368 2.545 1.00 0.65 C ATOM 262 CG GLU A 37 15.070 1.002 2.992 1.00 0.80 C ATOM 263 CD GLU A 37 15.870 2.207 3.443 1.00 0.91 C ATOM 264 OE1 GLU A 37 16.424 2.174 4.560 1.00 1.61 O ATOM 265 OE2 GLU A 37 15.953 3.192 2.683 1.00 1.55 O ATOM 0 H GLU A 37 12.748 0.117 4.488 1.00 0.48 H new ATOM 0 HA GLU A 37 13.413 2.837 4.086 1.00 0.51 H new ATOM 0 HB2 GLU A 37 13.152 0.466 2.207 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.726 2.039 1.688 1.00 0.65 H new ATOM 0 HG2 GLU A 37 15.012 0.283 3.809 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.592 0.511 2.171 1.00 0.80 H new ATOM 272 N ALA A 38 10.570 1.796 2.777 1.00 0.40 N ATOM 273 CA ALA A 38 9.294 2.264 2.245 1.00 0.42 C ATOM 274 C ALA A 38 8.556 3.076 3.302 1.00 0.39 C ATOM 275 O ALA A 38 7.933 4.098 3.005 1.00 0.42 O ATOM 276 CB ALA A 38 8.447 1.084 1.789 1.00 0.50 C ATOM 0 H ALA A 38 10.622 0.788 2.926 1.00 0.40 H new ATOM 0 HA ALA A 38 9.483 2.903 1.383 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.498 1.448 1.395 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.977 0.535 1.011 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.259 0.423 2.635 1.00 0.50 H new ATOM 282 N ARG A 39 8.660 2.604 4.536 1.00 0.41 N ATOM 283 CA ARG A 39 8.075 3.259 5.699 1.00 0.50 C ATOM 284 C ARG A 39 8.520 4.716 5.789 1.00 0.46 C ATOM 285 O ARG A 39 7.692 5.622 5.873 1.00 0.52 O ATOM 286 CB ARG A 39 8.507 2.498 6.954 1.00 0.62 C ATOM 287 CG ARG A 39 7.985 3.060 8.261 1.00 1.18 C ATOM 288 CD ARG A 39 8.596 2.309 9.432 1.00 1.43 C ATOM 289 NE ARG A 39 8.088 2.766 10.720 1.00 1.88 N ATOM 290 CZ ARG A 39 8.491 2.265 11.887 1.00 2.58 C ATOM 291 NH1 ARG A 39 9.474 1.372 11.921 1.00 2.84 N ATOM 292 NH2 ARG A 39 7.942 2.679 13.022 1.00 3.48 N ATOM 0 H ARG A 39 9.160 1.744 4.761 1.00 0.41 H new ATOM 0 HA ARG A 39 6.989 3.250 5.609 1.00 0.50 H new ATOM 0 HB2 ARG A 39 8.176 1.463 6.864 1.00 0.62 H new ATOM 0 HB3 ARG A 39 9.596 2.482 6.993 1.00 0.62 H new ATOM 0 HG2 ARG A 39 8.227 4.120 8.333 1.00 1.18 H new ATOM 0 HG3 ARG A 39 6.899 2.978 8.293 1.00 1.18 H new ATOM 0 HD2 ARG A 39 8.391 1.244 9.322 1.00 1.43 H new ATOM 0 HD3 ARG A 39 9.679 2.429 9.410 1.00 1.43 H new ATOM 0 HE ARG A 39 7.388 3.508 10.728 1.00 1.88 H new ATOM 0 HH11 ARG A 39 9.919 1.071 11.054 1.00 2.84 H new ATOM 0 HH12 ARG A 39 9.783 0.988 12.814 1.00 2.84 H new ATOM 0 HH21 ARG A 39 7.206 3.385 13.005 1.00 3.48 H new ATOM 0 HH22 ARG A 39 8.256 2.291 13.912 1.00 3.48 H new ATOM 306 N LYS A 40 9.830 4.930 5.762 1.00 0.45 N ATOM 307 CA LYS A 40 10.384 6.272 5.875 1.00 0.49 C ATOM 308 C LYS A 40 10.026 7.124 4.663 1.00 0.42 C ATOM 309 O LYS A 40 9.665 8.287 4.810 1.00 0.47 O ATOM 310 CB LYS A 40 11.904 6.216 6.048 1.00 0.62 C ATOM 311 CG LYS A 40 12.366 5.585 7.358 1.00 1.06 C ATOM 312 CD LYS A 40 11.877 6.362 8.575 1.00 1.58 C ATOM 313 CE LYS A 40 10.619 5.749 9.175 1.00 2.12 C ATOM 314 NZ LYS A 40 10.129 6.520 10.348 1.00 2.95 N ATOM 0 H LYS A 40 10.527 4.192 5.663 1.00 0.45 H new ATOM 0 HA LYS A 40 9.945 6.736 6.758 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.332 5.654 5.218 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.302 7.229 5.986 1.00 0.62 H new ATOM 0 HG2 LYS A 40 12.002 4.559 7.414 1.00 1.06 H new ATOM 0 HG3 LYS A 40 13.455 5.538 7.373 1.00 1.06 H new ATOM 0 HD2 LYS A 40 12.663 6.387 9.329 1.00 1.58 H new ATOM 0 HD3 LYS A 40 11.676 7.395 8.289 1.00 1.58 H new ATOM 0 HE2 LYS A 40 9.838 5.708 8.416 1.00 2.12 H new ATOM 0 HE3 LYS A 40 10.824 4.722 9.476 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 9.356 5.998 10.808 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 10.907 6.654 11.025 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 9.781 7.448 10.033 1.00 2.95 H new ATOM 328 N MET A 41 10.105 6.537 3.475 1.00 0.39 N ATOM 329 CA MET A 41 9.820 7.271 2.243 1.00 0.41 C ATOM 330 C MET A 41 8.380 7.780 2.220 1.00 0.42 C ATOM 331 O MET A 41 8.131 8.948 1.918 1.00 0.52 O ATOM 332 CB MET A 41 10.096 6.390 1.022 1.00 0.48 C ATOM 333 CG MET A 41 9.744 7.051 -0.309 1.00 0.69 C ATOM 334 SD MET A 41 10.472 8.688 -0.501 1.00 1.10 S ATOM 335 CE MET A 41 9.820 9.152 -2.104 1.00 1.55 C ATOM 0 H MET A 41 10.362 5.560 3.336 1.00 0.39 H new ATOM 0 HA MET A 41 10.481 8.137 2.208 1.00 0.41 H new ATOM 0 HB2 MET A 41 11.151 6.118 1.014 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.529 5.464 1.118 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.081 6.412 -1.125 1.00 0.69 H new ATOM 0 HG3 MET A 41 8.660 7.130 -0.393 1.00 0.69 H new ATOM 0 HE1 MET A 41 10.409 9.973 -2.513 1.00 1.55 H new ATOM 0 HE2 MET A 41 9.871 8.297 -2.779 1.00 1.55 H new ATOM 0 HE3 MET A 41 8.782 9.468 -1.997 1.00 1.55 H new ATOM 345 N ALA A 42 7.436 6.909 2.555 1.00 0.40 N ATOM 346 CA ALA A 42 6.029 7.285 2.590 1.00 0.49 C ATOM 347 C ALA A 42 5.770 8.314 3.684 1.00 0.51 C ATOM 348 O ALA A 42 4.945 9.215 3.528 1.00 0.59 O ATOM 349 CB ALA A 42 5.156 6.056 2.797 1.00 0.58 C ATOM 0 H ALA A 42 7.620 5.938 2.806 1.00 0.40 H new ATOM 0 HA ALA A 42 5.772 7.736 1.632 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.108 6.354 2.821 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.315 5.354 1.978 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.419 5.578 3.741 1.00 0.58 H new ATOM 355 N GLU A 43 6.491 8.174 4.788 1.00 0.50 N ATOM 356 CA GLU A 43 6.377 9.098 5.907 1.00 0.60 C ATOM 357 C GLU A 43 6.915 10.474 5.522 1.00 0.62 C ATOM 358 O GLU A 43 6.303 11.498 5.826 1.00 0.73 O ATOM 359 CB GLU A 43 7.132 8.539 7.114 1.00 0.67 C ATOM 360 CG GLU A 43 7.042 9.405 8.357 1.00 0.97 C ATOM 361 CD GLU A 43 7.652 8.731 9.566 1.00 1.62 C ATOM 362 OE1 GLU A 43 6.909 8.067 10.315 1.00 2.16 O ATOM 363 OE2 GLU A 43 8.879 8.853 9.770 1.00 2.38 O ATOM 0 H GLU A 43 7.166 7.423 4.932 1.00 0.50 H new ATOM 0 HA GLU A 43 5.325 9.211 6.171 1.00 0.60 H new ATOM 0 HB2 GLU A 43 6.742 7.548 7.346 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.181 8.414 6.847 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.550 10.352 8.176 1.00 0.97 H new ATOM 0 HG3 GLU A 43 5.997 9.638 8.561 1.00 0.97 H new ATOM 370 N LYS A 44 8.051 10.483 4.833 1.00 0.58 N ATOM 371 CA LYS A 44 8.670 11.719 4.360 1.00 0.66 C ATOM 372 C LYS A 44 7.787 12.423 3.338 1.00 0.66 C ATOM 373 O LYS A 44 7.811 13.647 3.220 1.00 0.70 O ATOM 374 CB LYS A 44 10.032 11.422 3.730 1.00 0.76 C ATOM 375 CG LYS A 44 11.112 11.053 4.733 1.00 1.29 C ATOM 376 CD LYS A 44 12.376 10.564 4.039 1.00 1.69 C ATOM 377 CE LYS A 44 12.964 11.617 3.106 1.00 2.09 C ATOM 378 NZ LYS A 44 13.414 12.832 3.835 1.00 2.20 N ATOM 0 H LYS A 44 8.568 9.639 4.587 1.00 0.58 H new ATOM 0 HA LYS A 44 8.798 12.375 5.221 1.00 0.66 H new ATOM 0 HB2 LYS A 44 9.920 10.606 3.016 1.00 0.76 H new ATOM 0 HB3 LYS A 44 10.358 12.296 3.166 1.00 0.76 H new ATOM 0 HG2 LYS A 44 11.347 11.920 5.351 1.00 1.29 H new ATOM 0 HG3 LYS A 44 10.739 10.277 5.401 1.00 1.29 H new ATOM 0 HD2 LYS A 44 13.118 10.291 4.789 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.151 9.662 3.470 1.00 1.69 H new ATOM 0 HE2 LYS A 44 13.807 11.188 2.564 1.00 2.09 H new ATOM 0 HE3 LYS A 44 12.217 11.898 2.363 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 13.897 13.474 3.175 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 12.590 13.315 4.247 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 14.070 12.558 4.594 1.00 2.20 H new ATOM 392 N ALA A 45 7.014 11.642 2.600 1.00 0.67 N ATOM 393 CA ALA A 45 6.140 12.182 1.570 1.00 0.74 C ATOM 394 C ALA A 45 4.767 12.535 2.136 1.00 0.73 C ATOM 395 O ALA A 45 3.859 12.912 1.394 1.00 0.81 O ATOM 396 CB ALA A 45 6.006 11.190 0.427 1.00 0.82 C ATOM 0 H ALA A 45 6.974 10.627 2.696 1.00 0.67 H new ATOM 0 HA ALA A 45 6.588 13.101 1.192 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.350 11.604 -0.339 1.00 0.82 H new ATOM 0 HB2 ALA A 45 6.988 10.996 -0.003 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.583 10.258 0.802 1.00 0.82 H new ATOM 402 N ASN A 46 4.628 12.405 3.457 1.00 0.69 N ATOM 403 CA ASN A 46 3.382 12.734 4.156 1.00 0.72 C ATOM 404 C ASN A 46 2.224 11.882 3.652 1.00 0.67 C ATOM 405 O ASN A 46 1.073 12.324 3.620 1.00 0.84 O ATOM 406 CB ASN A 46 3.045 14.223 3.998 1.00 0.87 C ATOM 407 CG ASN A 46 4.034 15.129 4.707 1.00 1.46 C ATOM 408 OD1 ASN A 46 4.577 14.782 5.757 1.00 2.13 O ATOM 409 ND2 ASN A 46 4.281 16.296 4.132 1.00 2.13 N ATOM 0 H ASN A 46 5.371 12.071 4.070 1.00 0.69 H new ATOM 0 HA ASN A 46 3.533 12.517 5.214 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.024 14.475 2.938 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.045 14.408 4.390 1.00 0.87 H new ATOM 0 HD21 ASN A 46 4.942 16.945 4.559 1.00 2.13 H new ATOM 0 HD22 ASN A 46 3.810 16.546 3.262 1.00 2.13 H new ATOM 416 N LEU A 47 2.527 10.649 3.277 1.00 0.51 N ATOM 417 CA LEU A 47 1.521 9.746 2.741 1.00 0.51 C ATOM 418 C LEU A 47 0.897 8.927 3.856 1.00 0.46 C ATOM 419 O LEU A 47 1.482 8.771 4.930 1.00 0.56 O ATOM 420 CB LEU A 47 2.144 8.801 1.708 1.00 0.58 C ATOM 421 CG LEU A 47 2.835 9.479 0.524 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.456 8.440 -0.394 1.00 1.00 C ATOM 423 CD2 LEU A 47 1.854 10.347 -0.250 1.00 1.18 C ATOM 0 H LEU A 47 3.464 10.250 3.334 1.00 0.51 H new ATOM 0 HA LEU A 47 0.750 10.347 2.259 1.00 0.51 H new ATOM 0 HB2 LEU A 47 2.871 8.166 2.215 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.362 8.146 1.323 1.00 0.58 H new ATOM 0 HG LEU A 47 3.626 10.119 0.914 1.00 0.69 H new ATOM 0 HD11 LEU A 47 3.944 8.939 -1.231 1.00 1.00 H new ATOM 0 HD12 LEU A 47 4.192 7.858 0.160 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.678 7.776 -0.771 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.368 10.819 -1.087 1.00 1.18 H new ATOM 0 HD22 LEU A 47 1.039 9.728 -0.626 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.451 11.116 0.409 1.00 1.18 H new ATOM 435 N TYR A 48 -0.299 8.423 3.607 1.00 0.49 N ATOM 436 CA TYR A 48 -0.959 7.538 4.549 1.00 0.54 C ATOM 437 C TYR A 48 -0.611 6.096 4.224 1.00 0.46 C ATOM 438 O TYR A 48 -1.209 5.490 3.337 1.00 0.58 O ATOM 439 CB TYR A 48 -2.476 7.744 4.521 1.00 0.64 C ATOM 440 CG TYR A 48 -2.914 9.078 5.083 1.00 0.77 C ATOM 441 CD1 TYR A 48 -3.033 10.200 4.270 1.00 1.51 C ATOM 442 CD2 TYR A 48 -3.211 9.212 6.432 1.00 1.31 C ATOM 443 CE1 TYR A 48 -3.436 11.417 4.791 1.00 1.61 C ATOM 444 CE2 TYR A 48 -3.614 10.422 6.957 1.00 1.43 C ATOM 445 CZ TYR A 48 -3.725 11.521 6.134 1.00 1.09 C ATOM 446 OH TYR A 48 -4.128 12.729 6.661 1.00 1.28 O ATOM 0 H TYR A 48 -0.833 8.612 2.759 1.00 0.49 H new ATOM 0 HA TYR A 48 -0.609 7.772 5.554 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.827 7.659 3.493 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -2.954 6.945 5.088 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -2.808 10.120 3.217 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -3.125 8.354 7.082 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -3.523 12.281 4.148 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -3.842 10.508 8.009 1.00 1.43 H new ATOM 0 HH TYR A 48 -4.293 12.628 7.622 1.00 1.28 H new ATOM 456 N LEU A 49 0.380 5.570 4.927 1.00 0.46 N ATOM 457 CA LEU A 49 0.867 4.220 4.691 1.00 0.46 C ATOM 458 C LEU A 49 0.359 3.278 5.771 1.00 0.50 C ATOM 459 O LEU A 49 0.577 3.505 6.963 1.00 0.61 O ATOM 460 CB LEU A 49 2.402 4.212 4.665 1.00 0.66 C ATOM 461 CG LEU A 49 3.067 2.838 4.511 1.00 0.81 C ATOM 462 CD1 LEU A 49 3.394 2.539 3.052 1.00 1.76 C ATOM 463 CD2 LEU A 49 4.322 2.764 5.364 1.00 1.35 C ATOM 0 H LEU A 49 0.868 6.065 5.674 1.00 0.46 H new ATOM 0 HA LEU A 49 0.494 3.878 3.726 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.735 4.848 3.845 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.763 4.667 5.587 1.00 0.66 H new ATOM 0 HG LEU A 49 2.361 2.081 4.854 1.00 0.81 H new ATOM 0 HD11 LEU A 49 3.864 1.558 2.978 1.00 1.76 H new ATOM 0 HD12 LEU A 49 2.476 2.547 2.464 1.00 1.76 H new ATOM 0 HD13 LEU A 49 4.076 3.298 2.669 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.785 1.784 5.246 1.00 1.35 H new ATOM 0 HD22 LEU A 49 5.023 3.537 5.048 1.00 1.35 H new ATOM 0 HD23 LEU A 49 4.060 2.918 6.411 1.00 1.35 H new ATOM 475 N LEU A 50 -0.330 2.235 5.346 1.00 0.52 N ATOM 476 CA LEU A 50 -0.869 1.247 6.264 1.00 0.63 C ATOM 477 C LEU A 50 -0.096 -0.062 6.172 1.00 0.69 C ATOM 478 O LEU A 50 0.037 -0.641 5.096 1.00 0.69 O ATOM 479 CB LEU A 50 -2.350 1.001 5.970 1.00 0.77 C ATOM 480 CG LEU A 50 -3.264 2.212 6.192 1.00 0.81 C ATOM 481 CD1 LEU A 50 -4.721 1.843 5.968 1.00 1.24 C ATOM 482 CD2 LEU A 50 -3.074 2.779 7.591 1.00 1.48 C ATOM 0 H LEU A 50 -0.531 2.049 4.363 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.767 1.636 7.277 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.450 0.674 4.935 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.699 0.181 6.598 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.989 2.976 5.465 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -5.348 2.720 6.132 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -4.853 1.488 4.946 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -5.008 1.056 6.665 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -3.732 3.637 7.728 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -3.316 2.015 8.329 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -2.038 3.092 7.719 1.00 1.48 H new ATOM 494 N THR A 51 0.438 -0.515 7.292 1.00 0.85 N ATOM 495 CA THR A 51 1.061 -1.824 7.343 1.00 1.00 C ATOM 496 C THR A 51 0.300 -2.704 8.336 1.00 1.38 C ATOM 497 O THR A 51 0.473 -2.611 9.552 1.00 2.04 O ATOM 498 CB THR A 51 2.575 -1.732 7.688 1.00 1.42 C ATOM 499 OG1 THR A 51 3.170 -3.037 7.687 1.00 1.86 O ATOM 500 CG2 THR A 51 2.821 -1.054 9.033 1.00 2.07 C ATOM 0 H THR A 51 0.453 0.000 8.172 1.00 0.85 H new ATOM 0 HA THR A 51 1.006 -2.281 6.355 1.00 1.00 H new ATOM 0 HB THR A 51 3.040 -1.118 6.917 1.00 1.42 H new ATOM 0 HG1 THR A 51 3.099 -3.428 6.791 1.00 1.86 H new ATOM 0 HG21 THR A 51 3.892 -1.013 9.229 1.00 2.07 H new ATOM 0 HG22 THR A 51 2.418 -0.042 9.009 1.00 2.07 H new ATOM 0 HG23 THR A 51 2.329 -1.622 9.822 1.00 2.07 H new ATOM 508 N LEU A 52 -0.578 -3.539 7.799 1.00 1.17 N ATOM 509 CA LEU A 52 -1.516 -4.303 8.613 1.00 1.66 C ATOM 510 C LEU A 52 -2.259 -5.323 7.759 1.00 1.10 C ATOM 511 O LEU A 52 -2.062 -5.370 6.545 1.00 1.25 O ATOM 512 CB LEU A 52 -2.507 -3.343 9.328 1.00 2.63 C ATOM 513 CG LEU A 52 -3.059 -2.191 8.457 1.00 2.95 C ATOM 514 CD1 LEU A 52 -4.122 -2.682 7.488 1.00 3.41 C ATOM 515 CD2 LEU A 52 -3.622 -1.065 9.319 1.00 3.43 C ATOM 0 H LEU A 52 -0.661 -3.706 6.796 1.00 1.17 H new ATOM 0 HA LEU A 52 -0.959 -4.849 9.374 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -3.347 -3.928 9.702 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -2.007 -2.912 10.196 1.00 2.63 H new ATOM 0 HG LEU A 52 -2.221 -1.802 7.879 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -4.486 -1.845 6.893 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -3.693 -3.436 6.829 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -4.950 -3.118 8.047 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -4.002 -0.270 8.677 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -4.432 -1.451 9.937 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -2.834 -0.668 9.959 1.00 3.43 H new ATOM 527 N GLU A 53 -3.115 -6.123 8.385 1.00 1.35 N ATOM 528 CA GLU A 53 -3.842 -7.166 7.663 1.00 1.60 C ATOM 529 C GLU A 53 -5.176 -6.653 7.124 1.00 1.84 C ATOM 530 O GLU A 53 -5.451 -6.766 5.928 1.00 2.34 O ATOM 531 CB GLU A 53 -4.077 -8.408 8.538 1.00 2.04 C ATOM 532 CG GLU A 53 -2.857 -9.312 8.687 1.00 2.24 C ATOM 533 CD GLU A 53 -1.776 -8.729 9.571 1.00 2.43 C ATOM 534 OE1 GLU A 53 -0.834 -8.107 9.041 1.00 2.97 O ATOM 535 OE2 GLU A 53 -1.853 -8.912 10.802 1.00 2.75 O ATOM 0 H GLU A 53 -3.323 -6.072 9.382 1.00 1.35 H new ATOM 0 HA GLU A 53 -3.214 -7.453 6.820 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -4.398 -8.085 9.528 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -4.895 -8.989 8.112 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -3.173 -10.271 9.098 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -2.440 -9.511 7.700 1.00 2.24 H new ATOM 542 N THR A 54 -6.006 -6.095 7.998 1.00 1.76 N ATOM 543 CA THR A 54 -7.319 -5.614 7.580 1.00 1.96 C ATOM 544 C THR A 54 -7.243 -4.135 7.195 1.00 1.44 C ATOM 545 O THR A 54 -7.087 -3.255 8.042 1.00 1.41 O ATOM 546 CB THR A 54 -8.395 -5.863 8.666 1.00 2.58 C ATOM 547 OG1 THR A 54 -9.653 -5.313 8.258 1.00 2.85 O ATOM 548 CG2 THR A 54 -7.985 -5.283 10.011 1.00 3.30 C ATOM 0 H THR A 54 -5.798 -5.965 8.988 1.00 1.76 H new ATOM 0 HA THR A 54 -7.623 -6.183 6.701 1.00 1.96 H new ATOM 0 HB THR A 54 -8.495 -6.942 8.784 1.00 2.58 H new ATOM 0 HG1 THR A 54 -10.380 -5.780 8.721 1.00 2.85 H new ATOM 0 HG21 THR A 54 -8.767 -5.479 10.745 1.00 3.30 H new ATOM 0 HG22 THR A 54 -7.055 -5.747 10.339 1.00 3.30 H new ATOM 0 HG23 THR A 54 -7.840 -4.207 9.914 1.00 3.30 H new ATOM 556 N ASP A 55 -7.363 -3.880 5.903 1.00 1.58 N ATOM 557 CA ASP A 55 -7.029 -2.580 5.327 1.00 1.57 C ATOM 558 C ASP A 55 -8.216 -1.615 5.291 1.00 1.40 C ATOM 559 O ASP A 55 -8.128 -0.496 5.807 1.00 1.25 O ATOM 560 CB ASP A 55 -6.486 -2.787 3.899 1.00 2.38 C ATOM 561 CG ASP A 55 -7.472 -3.528 3.008 1.00 3.04 C ATOM 562 OD1 ASP A 55 -7.773 -4.709 3.302 1.00 3.66 O ATOM 563 OD2 ASP A 55 -7.961 -2.930 2.032 1.00 3.51 O ATOM 0 H ASP A 55 -7.693 -4.564 5.222 1.00 1.58 H new ATOM 0 HA ASP A 55 -6.275 -2.125 5.969 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -6.257 -1.818 3.456 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -5.551 -3.345 3.946 1.00 2.38 H new ATOM 568 N ASP A 56 -9.323 -2.056 4.703 1.00 1.62 N ATOM 569 CA ASP A 56 -10.420 -1.161 4.332 1.00 1.72 C ATOM 570 C ASP A 56 -10.997 -0.397 5.522 1.00 1.47 C ATOM 571 O ASP A 56 -11.477 0.721 5.358 1.00 1.48 O ATOM 572 CB ASP A 56 -11.536 -1.932 3.622 1.00 2.15 C ATOM 573 CG ASP A 56 -12.342 -2.804 4.560 1.00 2.43 C ATOM 574 OD1 ASP A 56 -11.880 -3.911 4.899 1.00 2.98 O ATOM 575 OD2 ASP A 56 -13.454 -2.390 4.950 1.00 2.88 O ATOM 0 H ASP A 56 -9.487 -3.035 4.470 1.00 1.62 H new ATOM 0 HA ASP A 56 -9.992 -0.425 3.651 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -12.203 -1.224 3.130 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -11.100 -2.555 2.841 1.00 2.15 H new ATOM 580 N LYS A 57 -10.949 -0.984 6.711 1.00 1.39 N ATOM 581 CA LYS A 57 -11.515 -0.328 7.890 1.00 1.42 C ATOM 582 C LYS A 57 -10.779 0.978 8.204 1.00 1.20 C ATOM 583 O LYS A 57 -11.405 1.983 8.544 1.00 1.27 O ATOM 584 CB LYS A 57 -11.520 -1.252 9.120 1.00 1.57 C ATOM 585 CG LYS A 57 -10.147 -1.577 9.697 1.00 1.98 C ATOM 586 CD LYS A 57 -10.262 -2.285 11.039 1.00 2.71 C ATOM 587 CE LYS A 57 -11.039 -3.588 10.922 1.00 3.40 C ATOM 588 NZ LYS A 57 -11.133 -4.298 12.223 1.00 4.03 N ATOM 0 H LYS A 57 -10.532 -1.898 6.887 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.552 -0.092 7.651 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -12.123 -0.787 9.900 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -12.013 -2.186 8.850 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -9.597 -2.207 8.998 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -9.574 -0.657 9.817 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -9.265 -2.489 11.429 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -10.757 -1.629 11.755 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -12.042 -3.380 10.549 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -10.555 -4.235 10.190 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -11.670 -5.180 12.099 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -10.177 -4.520 12.567 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -11.618 -3.692 12.915 1.00 4.03 H new ATOM 602 N LYS A 58 -9.459 0.975 8.066 1.00 1.07 N ATOM 603 CA LYS A 58 -8.677 2.171 8.342 1.00 1.04 C ATOM 604 C LYS A 58 -8.612 3.054 7.103 1.00 0.88 C ATOM 605 O LYS A 58 -8.643 4.280 7.201 1.00 0.87 O ATOM 606 CB LYS A 58 -7.268 1.805 8.819 1.00 1.18 C ATOM 607 CG LYS A 58 -6.418 3.010 9.210 1.00 1.64 C ATOM 608 CD LYS A 58 -7.070 3.821 10.321 1.00 2.25 C ATOM 609 CE LYS A 58 -6.226 5.026 10.713 1.00 2.61 C ATOM 610 NZ LYS A 58 -4.945 4.631 11.356 1.00 2.99 N ATOM 0 H LYS A 58 -8.913 0.167 7.768 1.00 1.07 H new ATOM 0 HA LYS A 58 -9.168 2.726 9.141 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -7.347 1.135 9.675 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -6.759 1.254 8.028 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -5.434 2.671 9.536 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -6.264 3.645 8.338 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -8.054 4.157 9.995 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -7.223 3.185 11.193 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -6.016 5.624 9.826 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -6.794 5.658 11.396 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -4.467 5.477 11.727 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -5.137 3.972 12.137 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -4.333 4.167 10.655 1.00 2.99 H new ATOM 624 N ILE A 59 -8.537 2.420 5.937 1.00 0.83 N ATOM 625 CA ILE A 59 -8.527 3.144 4.671 1.00 0.80 C ATOM 626 C ILE A 59 -9.792 3.984 4.522 1.00 0.74 C ATOM 627 O ILE A 59 -9.726 5.147 4.134 1.00 0.78 O ATOM 628 CB ILE A 59 -8.399 2.181 3.467 1.00 0.90 C ATOM 629 CG1 ILE A 59 -6.991 1.579 3.408 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.725 2.896 2.159 1.00 0.96 C ATOM 631 CD1 ILE A 59 -6.849 0.490 2.369 1.00 1.33 C ATOM 0 H ILE A 59 -8.482 1.406 5.843 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.657 3.801 4.680 1.00 0.80 H new ATOM 0 HB ILE A 59 -9.119 1.374 3.603 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.273 2.371 3.194 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.736 1.173 4.387 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -8.628 2.197 1.328 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.746 3.275 2.196 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -8.034 3.727 2.017 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -5.828 0.107 2.380 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -7.543 -0.320 2.594 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -7.073 0.897 1.383 1.00 1.33 H new ATOM 643 N GLU A 60 -10.935 3.394 4.858 1.00 0.77 N ATOM 644 CA GLU A 60 -12.216 4.081 4.747 1.00 0.87 C ATOM 645 C GLU A 60 -12.237 5.329 5.626 1.00 0.85 C ATOM 646 O GLU A 60 -12.662 6.394 5.188 1.00 0.94 O ATOM 647 CB GLU A 60 -13.358 3.139 5.136 1.00 1.04 C ATOM 648 CG GLU A 60 -14.742 3.715 4.893 1.00 1.32 C ATOM 649 CD GLU A 60 -15.842 2.733 5.230 1.00 1.47 C ATOM 650 OE1 GLU A 60 -16.150 1.864 4.385 1.00 1.96 O ATOM 651 OE2 GLU A 60 -16.403 2.818 6.345 1.00 2.01 O ATOM 0 H GLU A 60 -10.999 2.439 5.210 1.00 0.77 H new ATOM 0 HA GLU A 60 -12.352 4.389 3.710 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -13.258 2.211 4.573 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -13.262 2.884 6.191 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -14.868 4.617 5.492 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -14.831 4.012 3.848 1.00 1.32 H new ATOM 658 N ASP A 61 -11.758 5.193 6.859 1.00 0.82 N ATOM 659 CA ASP A 61 -11.696 6.321 7.788 1.00 0.88 C ATOM 660 C ASP A 61 -10.828 7.442 7.222 1.00 0.79 C ATOM 661 O ASP A 61 -11.242 8.605 7.174 1.00 0.83 O ATOM 662 CB ASP A 61 -11.139 5.870 9.142 1.00 0.99 C ATOM 663 CG ASP A 61 -10.974 7.020 10.118 1.00 1.55 C ATOM 664 OD1 ASP A 61 -9.931 7.702 10.072 1.00 2.27 O ATOM 665 OD2 ASP A 61 -11.883 7.246 10.945 1.00 2.05 O ATOM 0 H ASP A 61 -11.407 4.314 7.240 1.00 0.82 H new ATOM 0 HA ASP A 61 -12.709 6.698 7.927 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -11.806 5.124 9.575 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -10.174 5.386 8.991 1.00 0.99 H new ATOM 670 N ILE A 62 -9.629 7.078 6.783 1.00 0.72 N ATOM 671 CA ILE A 62 -8.687 8.037 6.221 1.00 0.69 C ATOM 672 C ILE A 62 -9.248 8.675 4.955 1.00 0.68 C ATOM 673 O ILE A 62 -9.289 9.898 4.826 1.00 0.73 O ATOM 674 CB ILE A 62 -7.334 7.366 5.896 1.00 0.73 C ATOM 675 CG1 ILE A 62 -6.673 6.850 7.178 1.00 0.81 C ATOM 676 CG2 ILE A 62 -6.412 8.340 5.174 1.00 0.77 C ATOM 677 CD1 ILE A 62 -5.381 6.096 6.936 1.00 0.93 C ATOM 0 H ILE A 62 -9.285 6.118 6.806 1.00 0.72 H new ATOM 0 HA ILE A 62 -8.528 8.810 6.972 1.00 0.69 H new ATOM 0 HB ILE A 62 -7.519 6.518 5.237 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -6.473 7.694 7.838 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -7.373 6.197 7.699 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -5.464 7.849 4.954 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -6.879 8.661 4.243 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -6.232 9.208 5.808 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.971 5.761 7.889 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -5.578 5.231 6.302 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -4.664 6.752 6.443 1.00 0.93 H new ATOM 689 N LEU A 63 -9.706 7.837 4.039 1.00 0.68 N ATOM 690 CA LEU A 63 -10.216 8.303 2.750 1.00 0.76 C ATOM 691 C LEU A 63 -11.433 9.204 2.938 1.00 0.84 C ATOM 692 O LEU A 63 -11.568 10.222 2.259 1.00 0.94 O ATOM 693 CB LEU A 63 -10.555 7.112 1.834 1.00 0.85 C ATOM 694 CG LEU A 63 -11.517 7.422 0.681 1.00 1.23 C ATOM 695 CD1 LEU A 63 -10.839 8.276 -0.377 1.00 1.57 C ATOM 696 CD2 LEU A 63 -12.058 6.138 0.068 1.00 1.89 C ATOM 0 H LEU A 63 -9.737 6.825 4.161 1.00 0.68 H new ATOM 0 HA LEU A 63 -9.433 8.890 2.270 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -9.627 6.722 1.416 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.989 6.319 2.443 1.00 0.85 H new ATOM 0 HG LEU A 63 -12.356 7.987 1.087 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -11.542 8.482 -1.184 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -10.512 9.216 0.068 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -9.975 7.744 -0.776 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -12.738 6.383 -0.748 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -11.231 5.541 -0.316 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -12.593 5.569 0.828 1.00 1.89 H new ATOM 708 N LYS A 64 -12.301 8.840 3.874 1.00 0.89 N ATOM 709 CA LYS A 64 -13.484 9.639 4.170 1.00 1.05 C ATOM 710 C LYS A 64 -13.081 11.015 4.697 1.00 1.03 C ATOM 711 O LYS A 64 -13.791 12.001 4.501 1.00 1.13 O ATOM 712 CB LYS A 64 -14.363 8.915 5.192 1.00 1.22 C ATOM 713 CG LYS A 64 -15.701 9.588 5.445 1.00 1.64 C ATOM 714 CD LYS A 64 -16.518 8.831 6.479 1.00 2.17 C ATOM 715 CE LYS A 64 -15.821 8.801 7.829 1.00 2.87 C ATOM 716 NZ LYS A 64 -16.647 8.137 8.870 1.00 3.41 N ATOM 0 H LYS A 64 -12.208 7.997 4.441 1.00 0.89 H new ATOM 0 HA LYS A 64 -14.053 9.776 3.250 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -14.540 7.897 4.846 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -13.821 8.842 6.135 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -15.537 10.610 5.787 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -16.261 9.650 4.512 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -17.497 9.299 6.584 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -16.688 7.811 6.134 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -14.870 8.278 7.734 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -15.594 9.820 8.142 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -16.133 8.139 9.774 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -17.545 8.650 8.981 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -16.842 7.156 8.585 1.00 3.41 H new ATOM 730 N SER A 65 -11.931 11.072 5.355 1.00 0.97 N ATOM 731 CA SER A 65 -11.409 12.329 5.870 1.00 1.06 C ATOM 732 C SER A 65 -10.795 13.155 4.740 1.00 1.03 C ATOM 733 O SER A 65 -10.942 14.380 4.696 1.00 1.13 O ATOM 734 CB SER A 65 -10.366 12.058 6.958 1.00 1.18 C ATOM 735 OG SER A 65 -10.908 11.252 7.996 1.00 1.65 O ATOM 0 H SER A 65 -11.342 10.261 5.544 1.00 0.97 H new ATOM 0 HA SER A 65 -12.231 12.897 6.305 1.00 1.06 H new ATOM 0 HB2 SER A 65 -9.501 11.560 6.521 1.00 1.18 H new ATOM 0 HB3 SER A 65 -10.014 13.003 7.373 1.00 1.18 H new ATOM 0 HG SER A 65 -11.014 10.332 7.675 1.00 1.65 H new ATOM 741 N LEU A 66 -10.115 12.478 3.820 1.00 0.97 N ATOM 742 CA LEU A 66 -9.500 13.147 2.678 1.00 1.05 C ATOM 743 C LEU A 66 -10.565 13.657 1.710 1.00 1.20 C ATOM 744 O LEU A 66 -10.445 14.758 1.179 1.00 1.55 O ATOM 745 CB LEU A 66 -8.508 12.218 1.960 1.00 1.00 C ATOM 746 CG LEU A 66 -7.079 12.199 2.532 1.00 1.09 C ATOM 747 CD1 LEU A 66 -7.079 11.938 4.028 1.00 1.72 C ATOM 748 CD2 LEU A 66 -6.237 11.153 1.822 1.00 1.38 C ATOM 0 H LEU A 66 -9.976 11.468 3.843 1.00 0.97 H new ATOM 0 HA LEU A 66 -8.942 14.005 3.053 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.904 11.203 1.987 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -8.456 12.512 0.912 1.00 1.00 H new ATOM 0 HG LEU A 66 -6.645 13.184 2.362 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -6.053 11.932 4.396 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -7.641 12.723 4.534 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -7.542 10.972 4.229 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -5.230 11.153 2.238 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -6.687 10.170 1.959 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -6.190 11.385 0.758 1.00 1.38 H new ATOM 760 N GLY A 67 -11.605 12.860 1.493 1.00 1.07 N ATOM 761 CA GLY A 67 -12.731 13.305 0.692 1.00 1.26 C ATOM 762 C GLY A 67 -12.789 12.644 -0.674 1.00 1.22 C ATOM 763 O GLY A 67 -13.298 11.528 -0.798 1.00 1.28 O ATOM 0 H GLY A 67 -11.689 11.911 1.858 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -13.656 13.097 1.229 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -12.673 14.386 0.564 1.00 1.26 H new ATOM 767 N PRO A 68 -12.297 13.332 -1.723 1.00 1.24 N ATOM 768 CA PRO A 68 -12.259 12.801 -3.097 1.00 1.29 C ATOM 769 C PRO A 68 -11.611 11.420 -3.185 1.00 1.15 C ATOM 770 O PRO A 68 -10.748 11.082 -2.375 1.00 0.99 O ATOM 771 CB PRO A 68 -11.397 13.824 -3.838 1.00 1.41 C ATOM 772 CG PRO A 68 -11.602 15.093 -3.096 1.00 1.56 C ATOM 773 CD PRO A 68 -11.750 14.702 -1.654 1.00 1.35 C ATOM 0 HA PRO A 68 -13.262 12.670 -3.504 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -10.347 13.531 -3.840 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -11.703 13.920 -4.880 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -10.757 15.768 -3.234 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -12.489 15.616 -3.453 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -10.794 14.727 -1.131 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -12.421 15.376 -1.122 1.00 1.35 H new ATOM 781 N PRO A 69 -12.038 10.606 -4.172 1.00 1.30 N ATOM 782 CA PRO A 69 -11.456 9.284 -4.436 1.00 1.26 C ATOM 783 C PRO A 69 -9.933 9.328 -4.499 1.00 1.05 C ATOM 784 O PRO A 69 -9.345 9.793 -5.478 1.00 1.17 O ATOM 785 CB PRO A 69 -12.034 8.908 -5.799 1.00 1.53 C ATOM 786 CG PRO A 69 -13.337 9.623 -5.860 1.00 1.89 C ATOM 787 CD PRO A 69 -13.143 10.909 -5.102 1.00 1.58 C ATOM 0 HA PRO A 69 -11.690 8.569 -3.647 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -11.373 9.217 -6.609 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -12.168 7.830 -5.890 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -13.626 9.819 -6.893 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -14.131 9.024 -5.415 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -12.890 11.733 -5.770 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -14.048 11.199 -4.568 1.00 1.58 H new ATOM 795 N VAL A 70 -9.311 8.852 -3.438 1.00 0.85 N ATOM 796 CA VAL A 70 -7.866 8.856 -3.316 1.00 0.67 C ATOM 797 C VAL A 70 -7.264 7.634 -4.000 1.00 0.60 C ATOM 798 O VAL A 70 -7.865 6.559 -4.012 1.00 0.66 O ATOM 799 CB VAL A 70 -7.466 8.905 -1.822 1.00 0.62 C ATOM 800 CG1 VAL A 70 -5.982 8.655 -1.621 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.853 10.249 -1.230 1.00 1.08 C ATOM 0 H VAL A 70 -9.794 8.451 -2.634 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.472 9.743 -3.813 1.00 0.67 H new ATOM 0 HB VAL A 70 -8.003 8.108 -1.309 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.746 8.699 -0.558 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.723 7.670 -2.010 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.410 9.416 -2.151 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.569 10.278 -0.178 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -7.338 11.045 -1.767 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.930 10.389 -1.319 1.00 1.08 H new ATOM 811 N LYS A 71 -6.083 7.810 -4.578 1.00 0.55 N ATOM 812 CA LYS A 71 -5.402 6.727 -5.270 1.00 0.54 C ATOM 813 C LYS A 71 -4.755 5.803 -4.251 1.00 0.43 C ATOM 814 O LYS A 71 -3.959 6.247 -3.423 1.00 0.41 O ATOM 815 CB LYS A 71 -4.333 7.283 -6.215 1.00 0.65 C ATOM 816 CG LYS A 71 -4.864 8.273 -7.241 1.00 1.27 C ATOM 817 CD LYS A 71 -5.855 7.626 -8.196 1.00 1.74 C ATOM 818 CE LYS A 71 -6.323 8.607 -9.261 1.00 2.14 C ATOM 819 NZ LYS A 71 -5.190 9.128 -10.071 1.00 2.53 N ATOM 0 H LYS A 71 -5.577 8.696 -4.580 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.131 6.171 -5.859 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -3.558 7.770 -5.623 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -3.859 6.453 -6.739 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -5.346 9.105 -6.727 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -4.031 8.688 -7.809 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -5.392 6.763 -8.673 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -6.714 7.258 -7.636 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -7.042 8.116 -9.916 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -6.842 9.439 -8.785 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -5.556 9.553 -10.947 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -4.676 9.849 -9.525 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -4.545 8.347 -10.308 1.00 2.53 H new ATOM 833 N ILE A 72 -5.113 4.531 -4.297 1.00 0.45 N ATOM 834 CA ILE A 72 -4.584 3.567 -3.348 1.00 0.43 C ATOM 835 C ILE A 72 -3.509 2.702 -3.992 1.00 0.41 C ATOM 836 O ILE A 72 -3.785 1.879 -4.871 1.00 0.50 O ATOM 837 CB ILE A 72 -5.696 2.662 -2.774 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.785 3.516 -2.115 1.00 0.68 C ATOM 839 CG2 ILE A 72 -5.114 1.672 -1.770 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.953 2.712 -1.587 1.00 1.00 C ATOM 0 H ILE A 72 -5.765 4.143 -4.979 1.00 0.45 H new ATOM 0 HA ILE A 72 -4.145 4.137 -2.529 1.00 0.43 H new ATOM 0 HB ILE A 72 -6.143 2.098 -3.592 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -6.344 4.081 -1.294 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -7.153 4.242 -2.840 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.912 1.042 -1.376 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.370 1.048 -2.264 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -4.644 2.218 -0.952 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -8.683 3.384 -1.135 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -8.420 2.168 -2.407 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -7.598 2.004 -0.838 1.00 1.00 H new ATOM 852 N LEU A 73 -2.279 2.904 -3.560 1.00 0.37 N ATOM 853 CA LEU A 73 -1.170 2.089 -4.008 1.00 0.37 C ATOM 854 C LEU A 73 -0.900 0.999 -2.988 1.00 0.37 C ATOM 855 O LEU A 73 -0.675 1.277 -1.810 1.00 0.46 O ATOM 856 CB LEU A 73 0.086 2.940 -4.212 1.00 0.43 C ATOM 857 CG LEU A 73 1.388 2.148 -4.424 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.455 1.553 -5.823 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.609 3.015 -4.151 1.00 1.22 C ATOM 0 H LEU A 73 -2.023 3.632 -2.894 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.432 1.637 -4.965 1.00 0.37 H new ATOM 0 HB2 LEU A 73 -0.070 3.588 -5.074 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.211 3.588 -3.344 1.00 0.43 H new ATOM 0 HG LEU A 73 1.388 1.325 -3.709 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.387 1.000 -5.939 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.612 0.878 -5.972 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.414 2.354 -6.561 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.514 2.429 -4.309 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.607 3.869 -4.828 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.581 3.369 -3.120 1.00 1.22 H new ATOM 871 N VAL A 74 -0.936 -0.240 -3.432 1.00 0.40 N ATOM 872 CA VAL A 74 -0.670 -1.348 -2.538 1.00 0.40 C ATOM 873 C VAL A 74 0.630 -2.029 -2.937 1.00 0.39 C ATOM 874 O VAL A 74 0.863 -2.337 -4.109 1.00 0.47 O ATOM 875 CB VAL A 74 -1.845 -2.368 -2.450 1.00 0.48 C ATOM 876 CG1 VAL A 74 -3.184 -1.648 -2.426 1.00 1.30 C ATOM 877 CG2 VAL A 74 -1.822 -3.416 -3.550 1.00 1.16 C ATOM 0 H VAL A 74 -1.144 -0.504 -4.395 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.569 -0.937 -1.534 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.708 -2.906 -1.512 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -3.990 -2.380 -2.364 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -3.227 -0.988 -1.560 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -3.297 -1.060 -3.337 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -2.668 -4.092 -3.426 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -1.888 -2.926 -4.521 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -0.893 -3.983 -3.493 1.00 1.16 H new ATOM 887 N LEU A 75 1.490 -2.234 -1.964 1.00 0.38 N ATOM 888 CA LEU A 75 2.804 -2.796 -2.225 1.00 0.38 C ATOM 889 C LEU A 75 2.925 -4.101 -1.461 1.00 0.35 C ATOM 890 O LEU A 75 2.934 -4.115 -0.228 1.00 0.43 O ATOM 891 CB LEU A 75 3.921 -1.813 -1.826 1.00 0.48 C ATOM 892 CG LEU A 75 5.309 -2.162 -2.348 1.00 0.80 C ATOM 893 CD1 LEU A 75 5.352 -2.005 -3.859 1.00 1.67 C ATOM 894 CD2 LEU A 75 6.362 -1.284 -1.691 1.00 1.65 C ATOM 0 H LEU A 75 1.307 -2.021 -0.983 1.00 0.38 H new ATOM 0 HA LEU A 75 2.917 -2.983 -3.293 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.654 -0.819 -2.186 1.00 0.48 H new ATOM 0 HB3 LEU A 75 3.963 -1.757 -0.738 1.00 0.48 H new ATOM 0 HG LEU A 75 5.526 -3.200 -2.098 1.00 0.80 H new ATOM 0 HD11 LEU A 75 6.348 -2.257 -4.223 1.00 1.67 H new ATOM 0 HD12 LEU A 75 4.620 -2.672 -4.315 1.00 1.67 H new ATOM 0 HD13 LEU A 75 5.119 -0.974 -4.124 1.00 1.67 H new ATOM 0 HD21 LEU A 75 7.347 -1.547 -2.076 1.00 1.65 H new ATOM 0 HD22 LEU A 75 6.153 -0.237 -1.913 1.00 1.65 H new ATOM 0 HD23 LEU A 75 6.341 -1.437 -0.612 1.00 1.65 H new ATOM 906 N LEU A 76 2.989 -5.201 -2.187 1.00 0.34 N ATOM 907 CA LEU A 76 2.849 -6.502 -1.571 1.00 0.42 C ATOM 908 C LEU A 76 4.091 -7.350 -1.799 1.00 0.41 C ATOM 909 O LEU A 76 4.633 -7.391 -2.904 1.00 0.48 O ATOM 910 CB LEU A 76 1.613 -7.207 -2.148 1.00 0.55 C ATOM 911 CG LEU A 76 0.907 -8.197 -1.217 1.00 1.09 C ATOM 912 CD1 LEU A 76 0.312 -7.463 -0.024 1.00 1.52 C ATOM 913 CD2 LEU A 76 -0.180 -8.948 -1.970 1.00 1.76 C ATOM 0 H LEU A 76 3.136 -5.218 -3.196 1.00 0.34 H new ATOM 0 HA LEU A 76 2.727 -6.370 -0.496 1.00 0.42 H new ATOM 0 HB2 LEU A 76 0.893 -6.446 -2.449 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.912 -7.739 -3.051 1.00 0.55 H new ATOM 0 HG LEU A 76 1.639 -8.918 -0.854 1.00 1.09 H new ATOM 0 HD11 LEU A 76 -0.187 -8.177 0.631 1.00 1.52 H new ATOM 0 HD12 LEU A 76 1.107 -6.960 0.527 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.410 -6.725 -0.374 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.673 -9.648 -1.295 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.912 -8.239 -2.355 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.265 -9.497 -2.800 1.00 1.76 H new ATOM 925 N GLU A 77 4.543 -8.006 -0.745 1.00 0.46 N ATOM 926 CA GLU A 77 5.631 -8.962 -0.848 1.00 0.49 C ATOM 927 C GLU A 77 5.043 -10.332 -1.141 1.00 0.49 C ATOM 928 O GLU A 77 3.903 -10.613 -0.766 1.00 0.59 O ATOM 929 CB GLU A 77 6.418 -9.015 0.462 1.00 0.61 C ATOM 930 CG GLU A 77 7.641 -9.918 0.416 1.00 0.63 C ATOM 931 CD GLU A 77 8.046 -10.427 1.785 1.00 1.04 C ATOM 932 OE1 GLU A 77 7.943 -11.651 2.018 1.00 1.71 O ATOM 933 OE2 GLU A 77 8.464 -9.614 2.636 1.00 1.74 O ATOM 0 H GLU A 77 4.171 -7.893 0.198 1.00 0.46 H new ATOM 0 HA GLU A 77 6.307 -8.660 -1.647 1.00 0.49 H new ATOM 0 HB2 GLU A 77 6.735 -8.006 0.724 1.00 0.61 H new ATOM 0 HB3 GLU A 77 5.756 -9.358 1.257 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.436 -10.767 -0.236 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.475 -9.371 -0.025 1.00 0.63 H new ATOM 940 N ASP A 78 5.796 -11.183 -1.814 1.00 0.54 N ATOM 941 CA ASP A 78 5.331 -12.536 -2.059 1.00 0.61 C ATOM 942 C ASP A 78 5.538 -13.395 -0.826 1.00 0.63 C ATOM 943 O ASP A 78 6.556 -14.071 -0.676 1.00 0.72 O ATOM 944 CB ASP A 78 6.036 -13.164 -3.265 1.00 0.77 C ATOM 945 CG ASP A 78 5.419 -12.731 -4.575 1.00 1.06 C ATOM 946 OD1 ASP A 78 6.045 -11.929 -5.302 1.00 1.59 O ATOM 947 OD2 ASP A 78 4.294 -13.182 -4.880 1.00 1.85 O ATOM 0 H ASP A 78 6.717 -10.967 -2.195 1.00 0.54 H new ATOM 0 HA ASP A 78 4.266 -12.485 -2.285 1.00 0.61 H new ATOM 0 HB2 ASP A 78 7.090 -12.887 -3.253 1.00 0.77 H new ATOM 0 HB3 ASP A 78 5.991 -14.250 -3.185 1.00 0.77 H new ATOM 952 N THR A 79 4.566 -13.341 0.063 1.00 0.61 N ATOM 953 CA THR A 79 4.538 -14.194 1.230 1.00 0.72 C ATOM 954 C THR A 79 3.374 -15.174 1.110 1.00 0.78 C ATOM 955 O THR A 79 2.407 -14.894 0.399 1.00 0.84 O ATOM 956 CB THR A 79 4.383 -13.365 2.524 1.00 0.77 C ATOM 957 OG1 THR A 79 5.245 -12.220 2.487 1.00 1.04 O ATOM 958 CG2 THR A 79 4.704 -14.195 3.756 1.00 1.20 C ATOM 0 H THR A 79 3.773 -12.703 -0.005 1.00 0.61 H new ATOM 0 HA THR A 79 5.482 -14.736 1.284 1.00 0.72 H new ATOM 0 HB THR A 79 3.344 -13.041 2.584 1.00 0.77 H new ATOM 0 HG1 THR A 79 6.158 -12.505 2.274 1.00 1.04 H new ATOM 0 HG21 THR A 79 4.585 -13.582 4.649 1.00 1.20 H new ATOM 0 HG22 THR A 79 4.026 -15.047 3.808 1.00 1.20 H new ATOM 0 HG23 THR A 79 5.732 -14.553 3.696 1.00 1.20 H new ATOM 966 N LYS A 80 3.454 -16.307 1.786 1.00 0.84 N ATOM 967 CA LYS A 80 2.361 -17.271 1.775 1.00 0.92 C ATOM 968 C LYS A 80 1.081 -16.618 2.299 1.00 0.88 C ATOM 969 O LYS A 80 0.032 -16.667 1.650 1.00 0.90 O ATOM 970 CB LYS A 80 2.733 -18.486 2.622 1.00 1.09 C ATOM 971 CG LYS A 80 1.734 -19.628 2.538 1.00 1.65 C ATOM 972 CD LYS A 80 2.212 -20.826 3.336 1.00 2.05 C ATOM 973 CE LYS A 80 1.249 -21.994 3.232 1.00 3.00 C ATOM 974 NZ LYS A 80 1.736 -23.178 3.986 1.00 3.57 N ATOM 0 H LYS A 80 4.259 -16.584 2.348 1.00 0.84 H new ATOM 0 HA LYS A 80 2.184 -17.602 0.752 1.00 0.92 H new ATOM 0 HB2 LYS A 80 3.711 -18.849 2.308 1.00 1.09 H new ATOM 0 HB3 LYS A 80 2.827 -18.175 3.663 1.00 1.09 H new ATOM 0 HG2 LYS A 80 0.766 -19.298 2.915 1.00 1.65 H new ATOM 0 HG3 LYS A 80 1.590 -19.914 1.496 1.00 1.65 H new ATOM 0 HD2 LYS A 80 3.195 -21.132 2.978 1.00 2.05 H new ATOM 0 HD3 LYS A 80 2.328 -20.543 4.382 1.00 2.05 H new ATOM 0 HE2 LYS A 80 0.273 -21.696 3.614 1.00 3.00 H new ATOM 0 HE3 LYS A 80 1.113 -22.261 2.184 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 1.052 -23.955 3.891 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 2.656 -23.478 3.605 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 1.842 -22.930 4.991 1.00 3.57 H new ATOM 988 N ASP A 81 1.188 -15.978 3.460 1.00 0.90 N ATOM 989 CA ASP A 81 0.063 -15.264 4.064 1.00 0.93 C ATOM 990 C ASP A 81 -0.373 -14.096 3.186 1.00 0.83 C ATOM 991 O ASP A 81 -1.541 -13.714 3.175 1.00 0.82 O ATOM 992 CB ASP A 81 0.445 -14.721 5.445 1.00 1.08 C ATOM 993 CG ASP A 81 0.873 -15.797 6.419 1.00 1.46 C ATOM 994 OD1 ASP A 81 0.055 -16.190 7.280 1.00 2.24 O ATOM 995 OD2 ASP A 81 2.039 -16.240 6.344 1.00 2.00 O ATOM 0 H ASP A 81 2.049 -15.938 4.006 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.759 -15.973 4.162 1.00 0.93 H new ATOM 0 HB2 ASP A 81 1.255 -14.001 5.332 1.00 1.08 H new ATOM 0 HB3 ASP A 81 -0.405 -14.181 5.862 1.00 1.08 H new ATOM 1000 N ALA A 82 0.575 -13.545 2.440 1.00 0.82 N ATOM 1001 CA ALA A 82 0.330 -12.360 1.626 1.00 0.82 C ATOM 1002 C ALA A 82 -0.578 -12.667 0.445 1.00 0.82 C ATOM 1003 O ALA A 82 -1.234 -11.772 -0.088 1.00 0.84 O ATOM 1004 CB ALA A 82 1.643 -11.778 1.136 1.00 0.97 C ATOM 0 H ALA A 82 1.528 -13.903 2.381 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.177 -11.627 2.254 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.445 -10.894 0.530 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.260 -11.501 1.991 1.00 0.97 H new ATOM 0 HB3 ALA A 82 2.168 -12.520 0.535 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.628 -13.929 0.035 1.00 0.91 N ATOM 1011 CA ASP A 83 -1.489 -14.313 -1.077 1.00 1.03 C ATOM 1012 C ASP A 83 -2.934 -14.266 -0.620 1.00 0.98 C ATOM 1013 O ASP A 83 -3.844 -13.951 -1.392 1.00 1.03 O ATOM 1014 CB ASP A 83 -1.149 -15.708 -1.610 1.00 1.27 C ATOM 1015 CG ASP A 83 -2.011 -16.077 -2.802 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -1.788 -15.513 -3.894 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -2.920 -16.919 -2.655 1.00 2.33 O ATOM 0 H ASP A 83 -0.092 -14.693 0.448 1.00 0.91 H new ATOM 0 HA ASP A 83 -1.329 -13.610 -1.894 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -0.098 -15.742 -1.896 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.288 -16.444 -0.818 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.122 -14.548 0.663 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.426 -14.467 1.289 1.00 1.04 C ATOM 1024 C LYS A 84 -4.889 -13.019 1.332 1.00 0.94 C ATOM 1025 O LYS A 84 -6.056 -12.723 1.098 1.00 1.04 O ATOM 1026 CB LYS A 84 -4.372 -15.034 2.707 1.00 1.17 C ATOM 1027 CG LYS A 84 -3.857 -16.459 2.783 1.00 1.67 C ATOM 1028 CD LYS A 84 -3.909 -16.987 4.209 1.00 2.01 C ATOM 1029 CE LYS A 84 -3.389 -18.412 4.300 1.00 2.47 C ATOM 1030 NZ LYS A 84 -4.134 -19.338 3.407 1.00 3.21 N ATOM 0 H LYS A 84 -2.374 -14.838 1.293 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.132 -15.055 0.702 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -3.735 -14.395 3.319 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -5.371 -14.996 3.141 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -4.454 -17.099 2.133 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -2.832 -16.498 2.415 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -3.317 -16.341 4.858 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -4.936 -16.950 4.573 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -2.331 -18.429 4.037 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -3.467 -18.761 5.330 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -3.917 -20.321 3.667 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -5.156 -19.171 3.508 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -3.852 -19.171 2.420 1.00 3.21 H new ATOM 1044 N VAL A 85 -3.959 -12.118 1.620 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.262 -10.694 1.655 1.00 0.77 C ATOM 1046 C VAL A 85 -4.496 -10.175 0.236 1.00 0.68 C ATOM 1047 O VAL A 85 -5.305 -9.278 0.019 1.00 0.75 O ATOM 1048 CB VAL A 85 -3.117 -9.873 2.310 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.597 -8.478 2.682 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.521 -10.581 3.531 1.00 1.16 C ATOM 0 H VAL A 85 -2.988 -12.348 1.833 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.162 -10.569 2.258 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.323 -9.785 1.568 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -2.779 -7.921 3.139 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -3.933 -7.958 1.785 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -4.423 -8.554 3.389 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -1.725 -9.968 3.954 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.299 -10.733 4.279 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -2.115 -11.546 3.229 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.799 -10.769 -0.732 1.00 0.60 N ATOM 1061 CA LYS A 86 -3.918 -10.363 -2.132 1.00 0.59 C ATOM 1062 C LYS A 86 -5.359 -10.495 -2.615 1.00 0.69 C ATOM 1063 O LYS A 86 -5.891 -9.601 -3.274 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.001 -11.215 -3.017 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.003 -10.789 -4.478 1.00 0.79 C ATOM 1066 CD LYS A 86 -2.267 -11.782 -5.368 1.00 1.07 C ATOM 1067 CE LYS A 86 -3.184 -12.887 -5.883 1.00 1.57 C ATOM 1068 NZ LYS A 86 -3.628 -13.822 -4.814 1.00 2.30 N ATOM 0 H LYS A 86 -3.145 -11.535 -0.572 1.00 0.60 H new ATOM 0 HA LYS A 86 -3.617 -9.318 -2.204 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -1.983 -11.160 -2.632 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.311 -12.258 -2.950 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -4.032 -10.687 -4.824 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -2.538 -9.808 -4.569 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -1.829 -11.253 -6.214 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -1.444 -12.227 -4.809 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -4.060 -12.436 -6.350 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -2.664 -13.451 -6.658 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -4.119 -14.632 -5.243 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -2.800 -14.160 -4.283 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -4.276 -13.328 -4.167 1.00 2.30 H new ATOM 1082 N LYS A 87 -5.990 -11.610 -2.269 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.355 -11.879 -2.700 1.00 0.89 C ATOM 1084 C LYS A 87 -8.349 -11.025 -1.915 1.00 0.88 C ATOM 1085 O LYS A 87 -9.492 -10.839 -2.333 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.674 -13.373 -2.551 1.00 1.06 C ATOM 1087 CG LYS A 87 -7.628 -13.879 -1.118 1.00 1.85 C ATOM 1088 CD LYS A 87 -7.682 -15.398 -1.046 1.00 2.29 C ATOM 1089 CE LYS A 87 -8.997 -15.949 -1.575 1.00 3.21 C ATOM 1090 NZ LYS A 87 -10.151 -15.577 -0.715 1.00 3.93 N ATOM 0 H LYS A 87 -5.578 -12.342 -1.691 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.446 -11.612 -3.753 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -8.666 -13.564 -2.960 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -6.966 -13.946 -3.150 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -6.715 -13.526 -0.638 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -8.465 -13.460 -0.559 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -6.856 -15.817 -1.621 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -7.545 -15.717 -0.013 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -9.165 -15.576 -2.585 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -8.932 -17.035 -1.643 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -10.997 -16.096 -1.025 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -9.939 -15.819 0.274 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -10.325 -14.555 -0.791 1.00 3.93 H new ATOM 1104 N GLU A 88 -7.908 -10.502 -0.778 1.00 0.90 N ATOM 1105 CA GLU A 88 -8.735 -9.604 0.014 1.00 0.98 C ATOM 1106 C GLU A 88 -8.720 -8.210 -0.598 1.00 0.96 C ATOM 1107 O GLU A 88 -9.772 -7.643 -0.889 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.242 -9.549 1.461 1.00 1.06 C ATOM 1109 CG GLU A 88 -8.241 -10.902 2.151 1.00 1.16 C ATOM 1110 CD GLU A 88 -7.829 -10.821 3.603 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -8.721 -10.682 4.470 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -6.620 -10.903 3.891 1.00 2.58 O ATOM 0 H GLU A 88 -6.984 -10.684 -0.385 1.00 0.90 H new ATOM 0 HA GLU A 88 -9.757 -9.984 0.014 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.231 -9.141 1.477 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -8.872 -8.862 2.026 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -9.238 -11.339 2.085 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -7.563 -11.573 1.623 1.00 1.16 H new ATOM 1119 N ILE A 89 -7.515 -7.691 -0.828 1.00 0.91 N ATOM 1120 CA ILE A 89 -7.322 -6.348 -1.380 1.00 0.93 C ATOM 1121 C ILE A 89 -8.069 -6.175 -2.703 1.00 0.87 C ATOM 1122 O ILE A 89 -8.654 -5.123 -2.971 1.00 0.91 O ATOM 1123 CB ILE A 89 -5.821 -6.051 -1.616 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.019 -6.215 -0.321 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -5.626 -4.649 -2.186 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -5.445 -5.281 0.793 1.00 1.17 C ATOM 0 H ILE A 89 -6.645 -8.188 -0.638 1.00 0.91 H new ATOM 0 HA ILE A 89 -7.722 -5.648 -0.647 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.450 -6.773 -2.343 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.115 -7.244 0.025 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -3.964 -6.049 -0.536 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -4.563 -4.465 -2.343 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.153 -4.566 -3.137 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -6.022 -3.913 -1.486 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -4.829 -5.461 1.674 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -5.322 -4.248 0.469 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -6.491 -5.462 1.039 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.069 -7.223 -3.516 1.00 0.81 N ATOM 1139 CA GLU A 90 -8.683 -7.146 -4.840 1.00 0.79 C ATOM 1140 C GLU A 90 -10.206 -7.090 -4.712 1.00 0.79 C ATOM 1141 O GLU A 90 -10.881 -6.415 -5.492 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.250 -8.322 -5.738 1.00 0.83 C ATOM 1143 CG GLU A 90 -8.876 -8.293 -7.122 1.00 1.35 C ATOM 1144 CD GLU A 90 -8.350 -9.392 -8.018 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -7.198 -9.284 -8.493 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -9.086 -10.371 -8.259 1.00 2.08 O ATOM 0 H GLU A 90 -7.657 -8.128 -3.288 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.336 -6.230 -5.319 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -7.165 -8.311 -5.839 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.515 -9.259 -5.248 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -9.958 -8.390 -7.030 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -8.681 -7.326 -7.585 1.00 1.35 H new ATOM 1153 N LYS A 91 -10.743 -7.775 -3.706 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.181 -7.755 -3.461 1.00 0.93 C ATOM 1155 C LYS A 91 -12.612 -6.430 -2.842 1.00 0.96 C ATOM 1156 O LYS A 91 -13.721 -5.954 -3.101 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.606 -8.915 -2.561 1.00 1.11 C ATOM 1158 CG LYS A 91 -12.573 -10.266 -3.253 1.00 1.66 C ATOM 1159 CD LYS A 91 -13.245 -11.334 -2.408 1.00 1.93 C ATOM 1160 CE LYS A 91 -13.178 -12.696 -3.076 1.00 2.60 C ATOM 1161 NZ LYS A 91 -13.848 -13.745 -2.266 1.00 3.12 N ATOM 0 H LYS A 91 -10.208 -8.347 -3.052 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.677 -7.867 -4.425 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -11.952 -8.946 -1.690 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -13.616 -8.728 -2.195 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -13.073 -10.195 -4.219 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -11.540 -10.551 -3.450 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -12.764 -11.383 -1.431 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -14.287 -11.062 -2.237 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -13.647 -12.642 -4.059 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -12.135 -12.971 -3.235 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -13.780 -14.659 -2.757 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -13.385 -13.815 -1.337 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -14.849 -13.496 -2.135 1.00 3.12 H new ATOM 1175 N LYS A 92 -11.736 -5.838 -2.030 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.006 -4.533 -1.425 1.00 1.17 C ATOM 1177 C LYS A 92 -12.270 -3.507 -2.516 1.00 1.08 C ATOM 1178 O LYS A 92 -13.242 -2.747 -2.463 1.00 1.15 O ATOM 1179 CB LYS A 92 -10.815 -4.058 -0.581 1.00 1.37 C ATOM 1180 CG LYS A 92 -10.351 -5.043 0.481 1.00 1.59 C ATOM 1181 CD LYS A 92 -11.395 -5.265 1.560 1.00 1.81 C ATOM 1182 CE LYS A 92 -10.867 -6.197 2.638 1.00 2.18 C ATOM 1183 NZ LYS A 92 -11.823 -6.344 3.765 1.00 2.41 N ATOM 0 H LYS A 92 -10.834 -6.241 -1.776 1.00 1.03 H new ATOM 0 HA LYS A 92 -12.879 -4.636 -0.780 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -9.979 -3.843 -1.247 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -11.084 -3.121 -0.094 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -10.112 -5.996 0.009 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -9.433 -4.674 0.938 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -11.675 -4.310 2.004 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -12.297 -5.687 1.118 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -10.666 -7.176 2.204 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -9.919 -5.814 3.015 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -11.636 -7.237 4.264 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -11.708 -5.548 4.424 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -12.796 -6.350 3.397 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.393 -3.518 -3.514 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.461 -2.591 -4.634 1.00 0.99 C ATOM 1199 C ALA A 93 -12.801 -2.663 -5.349 1.00 0.90 C ATOM 1200 O ALA A 93 -13.366 -1.638 -5.735 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.338 -2.883 -5.614 1.00 1.01 C ATOM 0 H ALA A 93 -10.613 -4.173 -3.568 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.351 -1.582 -4.236 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.394 -2.186 -6.450 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.378 -2.770 -5.111 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.435 -3.903 -5.985 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.309 -3.873 -5.513 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.543 -4.085 -6.254 1.00 0.85 C ATOM 1209 C ARG A 94 -15.750 -3.696 -5.412 1.00 0.86 C ATOM 1210 O ARG A 94 -16.680 -3.053 -5.897 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.664 -5.553 -6.685 1.00 0.93 C ATOM 1212 CG ARG A 94 -15.886 -5.836 -7.542 1.00 1.31 C ATOM 1213 CD ARG A 94 -15.976 -7.307 -7.911 1.00 1.63 C ATOM 1214 NE ARG A 94 -17.118 -7.587 -8.781 1.00 2.21 N ATOM 1215 CZ ARG A 94 -17.426 -8.799 -9.241 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -16.695 -9.851 -8.897 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -18.474 -8.958 -10.042 1.00 3.67 N ATOM 0 H ARG A 94 -12.886 -4.724 -5.143 1.00 0.82 H new ATOM 0 HA ARG A 94 -14.516 -3.454 -7.142 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -13.769 -5.835 -7.239 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -14.700 -6.182 -5.796 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -16.786 -5.539 -7.004 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -15.843 -5.234 -8.449 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -15.057 -7.612 -8.411 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -16.058 -7.904 -7.003 1.00 1.63 H new ATOM 0 HE ARG A 94 -17.716 -6.806 -9.052 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -15.893 -9.734 -8.278 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -16.935 -10.777 -9.252 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -19.042 -8.153 -10.304 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -18.710 -9.885 -10.395 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.723 -4.076 -4.144 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.864 -3.874 -3.267 1.00 1.02 C ATOM 1233 C LYS A 95 -17.065 -2.396 -2.949 1.00 1.02 C ATOM 1234 O LYS A 95 -18.166 -1.867 -3.092 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.681 -4.663 -1.972 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.958 -4.804 -1.158 1.00 1.55 C ATOM 1237 CD LYS A 95 -19.002 -5.627 -1.896 1.00 2.10 C ATOM 1238 CE LYS A 95 -20.267 -5.796 -1.071 1.00 2.52 C ATOM 1239 NZ LYS A 95 -20.928 -4.494 -0.790 1.00 3.34 N ATOM 0 H LYS A 95 -14.923 -4.526 -3.700 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.752 -4.234 -3.787 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.302 -5.656 -2.212 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -15.923 -4.172 -1.361 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -17.731 -5.276 -0.202 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -18.361 -3.816 -0.938 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -19.246 -5.143 -2.842 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -18.590 -6.607 -2.136 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -20.961 -6.448 -1.601 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -20.023 -6.289 -0.130 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -21.874 -4.664 -0.391 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -20.357 -3.955 -0.109 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -21.017 -3.952 -1.673 1.00 3.34 H new ATOM 1253 N LYS A 96 -15.998 -1.724 -2.537 1.00 0.97 N ATOM 1254 CA LYS A 96 -16.113 -0.343 -2.087 1.00 1.03 C ATOM 1255 C LYS A 96 -15.716 0.652 -3.177 1.00 0.96 C ATOM 1256 O LYS A 96 -15.598 1.854 -2.930 1.00 1.07 O ATOM 1257 CB LYS A 96 -15.293 -0.132 -0.812 1.00 1.15 C ATOM 1258 CG LYS A 96 -15.813 -0.950 0.361 1.00 1.29 C ATOM 1259 CD LYS A 96 -15.156 -0.553 1.673 1.00 1.68 C ATOM 1260 CE LYS A 96 -15.833 -1.241 2.849 1.00 1.78 C ATOM 1261 NZ LYS A 96 -15.367 -0.713 4.157 1.00 2.17 N ATOM 0 H LYS A 96 -15.053 -2.107 -2.505 1.00 0.97 H new ATOM 0 HA LYS A 96 -17.162 -0.152 -1.860 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -14.254 -0.400 -1.004 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -15.306 0.925 -0.547 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -16.892 -0.820 0.443 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -15.633 -2.008 0.172 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -14.099 -0.819 1.650 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -15.210 0.528 1.799 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -16.912 -1.110 2.771 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -15.637 -2.312 2.802 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -16.047 -0.974 4.899 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -14.436 -1.118 4.383 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -15.291 0.323 4.106 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.523 0.112 -4.384 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.273 0.897 -5.598 1.00 0.86 C ATOM 1277 C ASN A 97 -14.087 1.849 -5.434 1.00 0.87 C ATOM 1278 O ASN A 97 -14.206 3.055 -5.641 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.530 1.681 -6.001 1.00 0.97 C ATOM 1280 CG ASN A 97 -16.439 2.241 -7.409 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -15.829 1.636 -8.293 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -17.042 3.399 -7.631 1.00 2.33 N ATOM 0 H ASN A 97 -15.536 -0.895 -4.548 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.021 0.192 -6.390 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.400 1.029 -5.928 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.685 2.499 -5.297 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -17.011 3.820 -8.559 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -17.537 3.870 -6.874 1.00 2.33 H new ATOM 1289 N LEU A 98 -12.940 1.298 -5.072 1.00 0.78 N ATOM 1290 CA LEU A 98 -11.738 2.098 -4.871 1.00 0.84 C ATOM 1291 C LEU A 98 -10.603 1.571 -5.746 1.00 0.71 C ATOM 1292 O LEU A 98 -10.395 0.360 -5.823 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.338 2.076 -3.390 1.00 1.00 C ATOM 1294 CG LEU A 98 -12.343 2.735 -2.440 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -11.879 2.605 -0.997 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -12.557 4.199 -2.806 1.00 2.08 C ATOM 0 H LEU A 98 -12.814 0.299 -4.911 1.00 0.78 H new ATOM 0 HA LEU A 98 -11.942 3.129 -5.160 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -11.195 1.040 -3.083 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -10.376 2.576 -3.281 1.00 1.00 H new ATOM 0 HG LEU A 98 -13.297 2.218 -2.543 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -12.606 3.079 -0.337 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.787 1.550 -0.738 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -10.911 3.093 -0.881 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -13.275 4.645 -2.117 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -11.609 4.733 -2.739 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -12.941 4.267 -3.824 1.00 2.08 H new ATOM 1308 N PRO A 99 -9.879 2.461 -6.454 1.00 0.83 N ATOM 1309 CA PRO A 99 -8.764 2.056 -7.314 1.00 0.85 C ATOM 1310 C PRO A 99 -7.540 1.622 -6.513 1.00 0.70 C ATOM 1311 O PRO A 99 -6.971 2.409 -5.756 1.00 0.77 O ATOM 1312 CB PRO A 99 -8.438 3.320 -8.127 1.00 1.15 C ATOM 1313 CG PRO A 99 -9.559 4.271 -7.864 1.00 1.25 C ATOM 1314 CD PRO A 99 -10.089 3.918 -6.506 1.00 1.10 C ATOM 0 HA PRO A 99 -9.031 1.197 -7.930 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -7.483 3.747 -7.821 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -8.359 3.092 -9.190 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -9.210 5.303 -7.891 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -10.336 4.178 -8.623 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -9.550 4.435 -5.712 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -11.141 4.181 -6.400 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.138 0.370 -6.694 1.00 0.58 N ATOM 1323 CA VAL A 100 -5.956 -0.165 -6.031 1.00 0.47 C ATOM 1324 C VAL A 100 -5.024 -0.779 -7.070 1.00 0.42 C ATOM 1325 O VAL A 100 -5.482 -1.354 -8.060 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.316 -1.234 -4.964 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.291 -0.676 -3.937 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -6.882 -2.490 -5.611 1.00 1.35 C ATOM 0 H VAL A 100 -7.617 -0.297 -7.299 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.463 0.661 -5.518 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.395 -1.505 -4.448 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.526 -1.446 -3.202 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -6.840 0.180 -3.435 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.207 -0.362 -4.438 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.124 -3.220 -4.838 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -7.785 -2.237 -6.168 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.143 -2.914 -6.291 1.00 1.35 H new ATOM 1338 N ARG A 101 -3.725 -0.637 -6.871 1.00 0.43 N ATOM 1339 CA ARG A 101 -2.761 -1.216 -7.796 1.00 0.43 C ATOM 1340 C ARG A 101 -1.743 -2.065 -7.047 1.00 0.40 C ATOM 1341 O ARG A 101 -0.903 -1.543 -6.315 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.066 -0.102 -8.606 1.00 0.49 C ATOM 1343 CG ARG A 101 -2.959 0.497 -9.683 1.00 1.20 C ATOM 1344 CD ARG A 101 -2.279 1.644 -10.410 1.00 1.40 C ATOM 1345 NE ARG A 101 -3.155 2.244 -11.414 1.00 2.23 N ATOM 1346 CZ ARG A 101 -2.936 3.427 -11.991 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -1.865 4.142 -11.668 1.00 2.96 N ATOM 1348 NH2 ARG A 101 -3.792 3.890 -12.893 1.00 3.87 N ATOM 0 H ARG A 101 -3.314 -0.131 -6.086 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.290 -1.866 -8.493 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -1.746 0.688 -7.926 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.167 -0.506 -9.071 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -3.231 -0.277 -10.401 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -3.885 0.852 -9.231 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -1.978 2.404 -9.689 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -1.370 1.282 -10.890 1.00 1.40 H new ATOM 0 HE ARG A 101 -3.988 1.725 -11.692 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -1.205 3.788 -10.976 1.00 2.96 H new ATOM 0 HH12 ARG A 101 -1.702 5.046 -12.112 1.00 2.96 H new ATOM 0 HH21 ARG A 101 -4.615 3.342 -13.144 1.00 3.87 H new ATOM 0 HH22 ARG A 101 -3.627 4.794 -13.336 1.00 3.87 H new ATOM 1362 N ILE A 102 -1.852 -3.379 -7.219 1.00 0.43 N ATOM 1363 CA ILE A 102 -0.956 -4.333 -6.579 1.00 0.43 C ATOM 1364 C ILE A 102 0.384 -4.399 -7.295 1.00 0.45 C ATOM 1365 O ILE A 102 0.442 -4.568 -8.515 1.00 0.56 O ATOM 1366 CB ILE A 102 -1.571 -5.756 -6.547 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -2.941 -5.733 -5.863 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -0.635 -6.731 -5.840 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -3.609 -7.089 -5.788 1.00 0.76 C ATOM 0 H ILE A 102 -2.565 -3.811 -7.807 1.00 0.43 H new ATOM 0 HA ILE A 102 -0.806 -3.981 -5.558 1.00 0.43 H new ATOM 0 HB ILE A 102 -1.705 -6.095 -7.574 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -2.826 -5.339 -4.853 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -3.594 -5.046 -6.401 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.085 -7.724 -5.828 1.00 0.60 H new ATOM 0 HG22 ILE A 102 0.317 -6.770 -6.370 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -0.467 -6.397 -4.816 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -4.574 -6.992 -5.291 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -3.757 -7.478 -6.795 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -2.977 -7.775 -5.224 1.00 0.76 H new ATOM 1381 N ARG A 103 1.456 -4.258 -6.533 1.00 0.41 N ATOM 1382 CA ARG A 103 2.794 -4.390 -7.074 1.00 0.50 C ATOM 1383 C ARG A 103 3.616 -5.348 -6.213 1.00 0.43 C ATOM 1384 O ARG A 103 3.878 -5.071 -5.042 1.00 0.53 O ATOM 1385 CB ARG A 103 3.472 -3.020 -7.143 1.00 0.65 C ATOM 1386 CG ARG A 103 4.721 -2.999 -8.009 1.00 1.12 C ATOM 1387 CD ARG A 103 4.381 -3.255 -9.476 1.00 1.27 C ATOM 1388 NE ARG A 103 3.330 -2.356 -9.949 1.00 1.83 N ATOM 1389 CZ ARG A 103 2.445 -2.671 -10.893 1.00 2.44 C ATOM 1390 NH1 ARG A 103 2.495 -3.857 -11.487 1.00 2.64 N ATOM 1391 NH2 ARG A 103 1.513 -1.793 -11.243 1.00 3.34 N ATOM 0 H ARG A 103 1.423 -4.051 -5.535 1.00 0.41 H new ATOM 0 HA ARG A 103 2.729 -4.797 -8.083 1.00 0.50 H new ATOM 0 HB2 ARG A 103 2.760 -2.291 -7.530 1.00 0.65 H new ATOM 0 HB3 ARG A 103 3.735 -2.703 -6.134 1.00 0.65 H new ATOM 0 HG2 ARG A 103 5.218 -2.034 -7.911 1.00 1.12 H new ATOM 0 HG3 ARG A 103 5.423 -3.756 -7.658 1.00 1.12 H new ATOM 0 HD2 ARG A 103 5.275 -3.123 -10.086 1.00 1.27 H new ATOM 0 HD3 ARG A 103 4.060 -4.289 -9.601 1.00 1.27 H new ATOM 0 HE ARG A 103 3.271 -1.428 -9.529 1.00 1.83 H new ATOM 0 HH11 ARG A 103 3.213 -4.531 -11.221 1.00 2.64 H new ATOM 0 HH12 ARG A 103 1.815 -4.095 -12.210 1.00 2.64 H new ATOM 0 HH21 ARG A 103 1.476 -0.880 -10.789 1.00 3.34 H new ATOM 0 HH22 ARG A 103 0.834 -2.031 -11.966 1.00 3.34 H new ATOM 1405 N LYS A 104 3.986 -6.485 -6.792 1.00 0.38 N ATOM 1406 CA LYS A 104 4.825 -7.467 -6.108 1.00 0.39 C ATOM 1407 C LYS A 104 6.293 -7.089 -6.233 1.00 0.37 C ATOM 1408 O LYS A 104 6.859 -7.131 -7.328 1.00 0.46 O ATOM 1409 CB LYS A 104 4.606 -8.857 -6.710 1.00 0.51 C ATOM 1410 CG LYS A 104 3.260 -9.491 -6.338 1.00 0.63 C ATOM 1411 CD LYS A 104 3.170 -9.757 -4.845 1.00 1.06 C ATOM 1412 CE LYS A 104 1.973 -10.632 -4.513 1.00 1.50 C ATOM 1413 NZ LYS A 104 2.004 -11.919 -5.261 1.00 1.91 N ATOM 0 H LYS A 104 3.717 -6.752 -7.739 1.00 0.38 H new ATOM 0 HA LYS A 104 4.548 -7.481 -5.054 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.676 -8.787 -7.796 1.00 0.51 H new ATOM 0 HB3 LYS A 104 5.410 -9.515 -6.381 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.448 -8.830 -6.642 1.00 0.63 H new ATOM 0 HG3 LYS A 104 3.132 -10.425 -6.885 1.00 0.63 H new ATOM 0 HD2 LYS A 104 4.084 -10.243 -4.504 1.00 1.06 H new ATOM 0 HD3 LYS A 104 3.092 -8.811 -4.309 1.00 1.06 H new ATOM 0 HE2 LYS A 104 1.957 -10.834 -3.442 1.00 1.50 H new ATOM 0 HE3 LYS A 104 1.054 -10.096 -4.750 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 1.478 -12.642 -4.730 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 1.566 -11.788 -6.195 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.990 -12.227 -5.381 1.00 1.91 H new ATOM 1427 N VAL A 105 6.906 -6.708 -5.121 1.00 0.35 N ATOM 1428 CA VAL A 105 8.302 -6.288 -5.134 1.00 0.39 C ATOM 1429 C VAL A 105 9.033 -6.772 -3.887 1.00 0.46 C ATOM 1430 O VAL A 105 8.431 -6.951 -2.826 1.00 0.52 O ATOM 1431 CB VAL A 105 8.447 -4.740 -5.202 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.664 -4.159 -6.364 1.00 0.43 C ATOM 1433 CG2 VAL A 105 8.010 -4.098 -3.895 1.00 0.55 C ATOM 0 H VAL A 105 6.463 -6.681 -4.203 1.00 0.35 H new ATOM 0 HA VAL A 105 8.741 -6.732 -6.028 1.00 0.39 H new ATOM 0 HB VAL A 105 9.502 -4.517 -5.364 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.788 -3.076 -6.381 1.00 0.43 H new ATOM 0 HG12 VAL A 105 8.033 -4.581 -7.299 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.608 -4.402 -6.248 1.00 0.43 H new ATOM 0 HG21 VAL A 105 8.120 -3.016 -3.966 1.00 0.55 H new ATOM 0 HG22 VAL A 105 6.966 -4.344 -3.700 1.00 0.55 H new ATOM 0 HG23 VAL A 105 8.630 -4.473 -3.080 1.00 0.55 H new ATOM 1443 N THR A 106 10.325 -7.011 -4.024 1.00 0.52 N ATOM 1444 CA THR A 106 11.193 -7.114 -2.874 1.00 0.61 C ATOM 1445 C THR A 106 12.513 -6.435 -3.210 1.00 0.58 C ATOM 1446 O THR A 106 13.428 -7.055 -3.751 1.00 0.67 O ATOM 1447 CB THR A 106 11.435 -8.587 -2.489 1.00 0.80 C ATOM 1448 OG1 THR A 106 10.185 -9.292 -2.484 1.00 1.32 O ATOM 1449 CG2 THR A 106 12.083 -8.689 -1.116 1.00 1.64 C ATOM 0 H THR A 106 10.792 -7.137 -4.922 1.00 0.52 H new ATOM 0 HA THR A 106 10.722 -6.627 -2.020 1.00 0.61 H new ATOM 0 HB THR A 106 12.108 -9.031 -3.222 1.00 0.80 H new ATOM 0 HG1 THR A 106 10.339 -10.229 -2.241 1.00 1.32 H new ATOM 0 HG21 THR A 106 12.244 -9.738 -0.867 1.00 1.64 H new ATOM 0 HG22 THR A 106 13.040 -8.168 -1.126 1.00 1.64 H new ATOM 0 HG23 THR A 106 11.430 -8.235 -0.371 1.00 1.64 H new ATOM 1457 N SER A 107 12.585 -5.152 -2.878 1.00 0.50 N ATOM 1458 CA SER A 107 13.727 -4.312 -3.198 1.00 0.51 C ATOM 1459 C SER A 107 13.434 -2.879 -2.762 1.00 0.45 C ATOM 1460 O SER A 107 12.527 -2.241 -3.300 1.00 0.44 O ATOM 1461 CB SER A 107 14.010 -4.351 -4.704 1.00 0.56 C ATOM 1462 OG SER A 107 15.022 -3.429 -5.071 1.00 1.36 O ATOM 0 H SER A 107 11.845 -4.663 -2.375 1.00 0.50 H new ATOM 0 HA SER A 107 14.605 -4.684 -2.670 1.00 0.51 H new ATOM 0 HB2 SER A 107 14.313 -5.358 -4.991 1.00 0.56 H new ATOM 0 HB3 SER A 107 13.095 -4.125 -5.252 1.00 0.56 H new ATOM 0 HG SER A 107 15.137 -3.440 -6.044 1.00 1.36 H new ATOM 1468 N PRO A 108 14.164 -2.373 -1.753 1.00 0.47 N ATOM 1469 CA PRO A 108 14.031 -0.988 -1.278 1.00 0.49 C ATOM 1470 C PRO A 108 14.035 0.044 -2.407 1.00 0.43 C ATOM 1471 O PRO A 108 13.335 1.053 -2.332 1.00 0.47 O ATOM 1472 CB PRO A 108 15.262 -0.810 -0.394 1.00 0.63 C ATOM 1473 CG PRO A 108 15.541 -2.172 0.134 1.00 0.69 C ATOM 1474 CD PRO A 108 15.156 -3.131 -0.962 1.00 0.55 C ATOM 0 HA PRO A 108 13.080 -0.829 -0.769 1.00 0.49 H new ATOM 0 HB2 PRO A 108 16.107 -0.424 -0.964 1.00 0.63 H new ATOM 0 HB3 PRO A 108 15.072 -0.103 0.413 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.594 -2.281 0.395 1.00 0.69 H new ATOM 0 HG3 PRO A 108 14.966 -2.364 1.040 1.00 0.69 H new ATOM 0 HD2 PRO A 108 16.017 -3.416 -1.566 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.730 -4.050 -0.560 1.00 0.55 H new ATOM 1482 N ASP A 109 14.823 -0.214 -3.447 1.00 0.46 N ATOM 1483 CA ASP A 109 14.894 0.685 -4.600 1.00 0.50 C ATOM 1484 C ASP A 109 13.560 0.729 -5.330 1.00 0.41 C ATOM 1485 O ASP A 109 12.986 1.801 -5.537 1.00 0.44 O ATOM 1486 CB ASP A 109 15.987 0.243 -5.575 1.00 0.64 C ATOM 1487 CG ASP A 109 17.381 0.479 -5.040 1.00 1.56 C ATOM 1488 OD1 ASP A 109 17.961 1.545 -5.326 1.00 2.22 O ATOM 1489 OD2 ASP A 109 17.910 -0.405 -4.338 1.00 2.37 O ATOM 0 H ASP A 109 15.422 -1.037 -3.517 1.00 0.46 H new ATOM 0 HA ASP A 109 15.134 1.680 -4.225 1.00 0.50 H new ATOM 0 HB2 ASP A 109 15.863 -0.817 -5.797 1.00 0.64 H new ATOM 0 HB3 ASP A 109 15.868 0.781 -6.515 1.00 0.64 H new ATOM 1494 N GLU A 110 13.075 -0.447 -5.709 1.00 0.38 N ATOM 1495 CA GLU A 110 11.808 -0.572 -6.417 1.00 0.38 C ATOM 1496 C GLU A 110 10.660 -0.036 -5.570 1.00 0.36 C ATOM 1497 O GLU A 110 9.758 0.628 -6.080 1.00 0.42 O ATOM 1498 CB GLU A 110 11.548 -2.037 -6.786 1.00 0.43 C ATOM 1499 CG GLU A 110 12.231 -2.497 -8.070 1.00 0.68 C ATOM 1500 CD GLU A 110 13.709 -2.158 -8.134 1.00 1.32 C ATOM 1501 OE1 GLU A 110 14.519 -2.870 -7.508 1.00 2.01 O ATOM 1502 OE2 GLU A 110 14.069 -1.186 -8.828 1.00 2.12 O ATOM 0 H GLU A 110 13.546 -1.335 -5.536 1.00 0.38 H new ATOM 0 HA GLU A 110 11.869 0.019 -7.331 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.883 -2.670 -5.964 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.473 -2.188 -6.887 1.00 0.43 H new ATOM 0 HG2 GLU A 110 12.111 -3.576 -8.168 1.00 0.68 H new ATOM 0 HG3 GLU A 110 11.726 -2.042 -8.922 1.00 0.68 H new ATOM 1509 N ALA A 111 10.716 -0.314 -4.272 1.00 0.33 N ATOM 1510 CA ALA A 111 9.690 0.136 -3.342 1.00 0.35 C ATOM 1511 C ALA A 111 9.564 1.655 -3.357 1.00 0.34 C ATOM 1512 O ALA A 111 8.464 2.194 -3.478 1.00 0.41 O ATOM 1513 CB ALA A 111 10.002 -0.352 -1.935 1.00 0.38 C ATOM 0 H ALA A 111 11.467 -0.852 -3.839 1.00 0.33 H new ATOM 0 HA ALA A 111 8.737 -0.287 -3.660 1.00 0.35 H new ATOM 0 HB1 ALA A 111 9.227 -0.008 -1.250 1.00 0.38 H new ATOM 0 HB2 ALA A 111 10.036 -1.441 -1.927 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.967 0.044 -1.618 1.00 0.38 H new ATOM 1519 N LYS A 112 10.698 2.343 -3.259 1.00 0.32 N ATOM 1520 CA LYS A 112 10.697 3.799 -3.228 1.00 0.34 C ATOM 1521 C LYS A 112 10.234 4.385 -4.555 1.00 0.37 C ATOM 1522 O LYS A 112 9.640 5.464 -4.586 1.00 0.42 O ATOM 1523 CB LYS A 112 12.083 4.347 -2.881 1.00 0.40 C ATOM 1524 CG LYS A 112 12.546 4.008 -1.473 1.00 0.48 C ATOM 1525 CD LYS A 112 13.863 4.694 -1.137 1.00 0.62 C ATOM 1526 CE LYS A 112 13.707 6.208 -1.081 1.00 1.11 C ATOM 1527 NZ LYS A 112 14.972 6.894 -0.704 1.00 1.51 N ATOM 0 H LYS A 112 11.623 1.917 -3.200 1.00 0.32 H new ATOM 0 HA LYS A 112 9.994 4.099 -2.451 1.00 0.34 H new ATOM 0 HB2 LYS A 112 12.807 3.955 -3.595 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.074 5.431 -2.999 1.00 0.40 H new ATOM 0 HG2 LYS A 112 11.784 4.311 -0.756 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.662 2.928 -1.377 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.230 4.329 -0.177 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.612 4.432 -1.885 1.00 0.62 H new ATOM 0 HE2 LYS A 112 13.375 6.573 -2.053 1.00 1.11 H new ATOM 0 HE3 LYS A 112 12.929 6.464 -0.361 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 14.815 7.922 -0.679 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 15.277 6.568 0.235 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 15.709 6.673 -1.404 1.00 1.51 H new ATOM 1541 N ARG A 113 10.499 3.672 -5.644 1.00 0.38 N ATOM 1542 CA ARG A 113 10.118 4.137 -6.972 1.00 0.46 C ATOM 1543 C ARG A 113 8.613 4.346 -7.070 1.00 0.43 C ATOM 1544 O ARG A 113 8.150 5.427 -7.429 1.00 0.50 O ATOM 1545 CB ARG A 113 10.556 3.146 -8.051 1.00 0.57 C ATOM 1546 CG ARG A 113 10.038 3.518 -9.432 1.00 0.77 C ATOM 1547 CD ARG A 113 10.391 2.480 -10.482 1.00 1.01 C ATOM 1548 NE ARG A 113 9.840 2.834 -11.791 1.00 1.68 N ATOM 1549 CZ ARG A 113 10.138 2.199 -12.924 1.00 2.13 C ATOM 1550 NH1 ARG A 113 10.994 1.184 -12.919 1.00 1.97 N ATOM 1551 NH2 ARG A 113 9.579 2.585 -14.065 1.00 2.96 N ATOM 0 H ARG A 113 10.976 2.770 -5.633 1.00 0.38 H new ATOM 0 HA ARG A 113 10.624 5.089 -7.134 1.00 0.46 H new ATOM 0 HB2 ARG A 113 11.645 3.099 -8.076 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.200 2.149 -7.790 1.00 0.57 H new ATOM 0 HG2 ARG A 113 8.955 3.636 -9.391 1.00 0.77 H new ATOM 0 HG3 ARG A 113 10.453 4.483 -9.725 1.00 0.77 H new ATOM 0 HD2 ARG A 113 11.475 2.388 -10.555 1.00 1.01 H new ATOM 0 HD3 ARG A 113 10.008 1.506 -10.176 1.00 1.01 H new ATOM 0 HE ARG A 113 9.187 3.616 -11.839 1.00 1.68 H new ATOM 0 HH11 ARG A 113 11.427 0.887 -12.045 1.00 1.97 H new ATOM 0 HH12 ARG A 113 11.218 0.702 -13.789 1.00 1.97 H new ATOM 0 HH21 ARG A 113 8.923 3.366 -14.073 1.00 2.96 H new ATOM 0 HH22 ARG A 113 9.806 2.100 -14.933 1.00 2.96 H new ATOM 1565 N TRP A 114 7.857 3.310 -6.735 1.00 0.39 N ATOM 1566 CA TRP A 114 6.408 3.346 -6.876 1.00 0.39 C ATOM 1567 C TRP A 114 5.791 4.370 -5.931 1.00 0.40 C ATOM 1568 O TRP A 114 4.792 5.012 -6.257 1.00 0.46 O ATOM 1569 CB TRP A 114 5.819 1.955 -6.635 1.00 0.38 C ATOM 1570 CG TRP A 114 6.396 0.913 -7.549 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.025 -0.241 -7.184 1.00 0.34 C ATOM 1572 CD2 TRP A 114 6.417 0.945 -8.981 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.430 -0.931 -8.302 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.067 -0.224 -9.416 1.00 0.63 C ATOM 1575 CE3 TRP A 114 5.948 1.847 -9.940 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 7.262 -0.513 -10.763 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 6.140 1.558 -11.277 1.00 1.29 C ATOM 1578 CH2 TRP A 114 6.789 0.386 -11.679 1.00 1.25 C ATOM 0 H TRP A 114 8.223 2.434 -6.363 1.00 0.39 H new ATOM 0 HA TRP A 114 6.169 3.651 -7.895 1.00 0.39 H new ATOM 0 HB2 TRP A 114 5.998 1.664 -5.600 1.00 0.38 H new ATOM 0 HB3 TRP A 114 4.738 1.994 -6.772 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.182 -0.565 -6.166 1.00 0.34 H new ATOM 0 HE1 TRP A 114 7.921 -1.825 -8.301 1.00 0.40 H new ATOM 0 HE3 TRP A 114 5.444 2.754 -9.641 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 7.769 -1.415 -11.074 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 5.783 2.250 -12.026 1.00 1.29 H new ATOM 0 HH2 TRP A 114 6.919 0.187 -12.733 1.00 1.25 H new ATOM 1589 N ILE A 115 6.409 4.542 -4.769 1.00 0.38 N ATOM 1590 CA ILE A 115 5.952 5.533 -3.804 1.00 0.41 C ATOM 1591 C ILE A 115 6.162 6.942 -4.351 1.00 0.47 C ATOM 1592 O ILE A 115 5.339 7.835 -4.143 1.00 0.55 O ATOM 1593 CB ILE A 115 6.685 5.386 -2.451 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.409 4.007 -1.846 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.264 6.487 -1.485 1.00 0.45 C ATOM 1596 CD1 ILE A 115 7.131 3.761 -0.539 1.00 0.44 C ATOM 0 H ILE A 115 7.227 4.009 -4.473 1.00 0.38 H new ATOM 0 HA ILE A 115 4.888 5.363 -3.637 1.00 0.41 H new ATOM 0 HB ILE A 115 7.756 5.482 -2.628 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.336 3.899 -1.684 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.702 3.240 -2.563 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.792 6.363 -0.540 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.508 7.459 -1.913 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.190 6.427 -1.311 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.887 2.765 -0.171 1.00 0.44 H new ATOM 0 HD12 ILE A 115 8.207 3.836 -0.698 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.820 4.505 0.194 1.00 0.44 H new ATOM 1608 N LYS A 116 7.251 7.123 -5.086 1.00 0.50 N ATOM 1609 CA LYS A 116 7.592 8.416 -5.653 1.00 0.60 C ATOM 1610 C LYS A 116 6.741 8.684 -6.886 1.00 0.57 C ATOM 1611 O LYS A 116 6.252 9.794 -7.090 1.00 0.69 O ATOM 1612 CB LYS A 116 9.098 8.458 -5.985 1.00 0.73 C ATOM 1613 CG LYS A 116 9.491 9.468 -7.056 1.00 1.18 C ATOM 1614 CD LYS A 116 9.524 8.822 -8.436 1.00 1.85 C ATOM 1615 CE LYS A 116 9.625 9.854 -9.545 1.00 2.50 C ATOM 1616 NZ LYS A 116 10.876 10.651 -9.459 1.00 3.13 N ATOM 0 H LYS A 116 7.917 6.382 -5.304 1.00 0.50 H new ATOM 0 HA LYS A 116 7.384 9.202 -4.927 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.650 8.684 -5.073 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.411 7.466 -6.309 1.00 0.73 H new ATOM 0 HG2 LYS A 116 8.783 10.296 -7.056 1.00 1.18 H new ATOM 0 HG3 LYS A 116 10.470 9.886 -6.824 1.00 1.18 H new ATOM 0 HD2 LYS A 116 10.372 8.140 -8.497 1.00 1.85 H new ATOM 0 HD3 LYS A 116 8.624 8.224 -8.578 1.00 1.85 H new ATOM 0 HE2 LYS A 116 9.582 9.352 -10.511 1.00 2.50 H new ATOM 0 HE3 LYS A 116 8.766 10.523 -9.495 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 10.926 11.307 -10.264 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 10.883 11.192 -8.571 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 11.697 10.013 -9.482 1.00 3.13 H new ATOM 1630 N GLU A 117 6.547 7.644 -7.683 1.00 0.53 N ATOM 1631 CA GLU A 117 5.799 7.746 -8.924 1.00 0.58 C ATOM 1632 C GLU A 117 4.380 8.250 -8.683 1.00 0.57 C ATOM 1633 O GLU A 117 3.902 9.143 -9.382 1.00 0.66 O ATOM 1634 CB GLU A 117 5.766 6.383 -9.624 1.00 0.70 C ATOM 1635 CG GLU A 117 4.792 6.330 -10.781 1.00 1.28 C ATOM 1636 CD GLU A 117 4.927 5.071 -11.610 1.00 1.51 C ATOM 1637 OE1 GLU A 117 5.894 4.981 -12.398 1.00 2.14 O ATOM 1638 OE2 GLU A 117 4.059 4.179 -11.498 1.00 1.93 O ATOM 0 H GLU A 117 6.903 6.708 -7.487 1.00 0.53 H new ATOM 0 HA GLU A 117 6.302 8.471 -9.564 1.00 0.58 H new ATOM 0 HB2 GLU A 117 6.765 6.144 -9.988 1.00 0.70 H new ATOM 0 HB3 GLU A 117 5.499 5.615 -8.898 1.00 0.70 H new ATOM 0 HG2 GLU A 117 3.775 6.397 -10.396 1.00 1.28 H new ATOM 0 HG3 GLU A 117 4.949 7.198 -11.421 1.00 1.28 H new ATOM 1645 N PHE A 118 3.722 7.700 -7.677 1.00 0.56 N ATOM 1646 CA PHE A 118 2.325 8.021 -7.423 1.00 0.66 C ATOM 1647 C PHE A 118 2.163 9.372 -6.731 1.00 0.73 C ATOM 1648 O PHE A 118 1.162 10.058 -6.934 1.00 0.88 O ATOM 1649 CB PHE A 118 1.671 6.921 -6.589 1.00 0.73 C ATOM 1650 CG PHE A 118 1.263 5.711 -7.386 1.00 0.69 C ATOM 1651 CD1 PHE A 118 2.212 4.851 -7.915 1.00 1.33 C ATOM 1652 CD2 PHE A 118 -0.077 5.436 -7.603 1.00 1.27 C ATOM 1653 CE1 PHE A 118 1.832 3.742 -8.645 1.00 1.57 C ATOM 1654 CE2 PHE A 118 -0.463 4.328 -8.331 1.00 1.56 C ATOM 1655 CZ PHE A 118 0.494 3.480 -8.854 1.00 1.41 C ATOM 0 H PHE A 118 4.130 7.031 -7.024 1.00 0.56 H new ATOM 0 HA PHE A 118 1.826 8.086 -8.390 1.00 0.66 H new ATOM 0 HB2 PHE A 118 2.364 6.612 -5.807 1.00 0.73 H new ATOM 0 HB3 PHE A 118 0.791 7.330 -6.092 1.00 0.73 H new ATOM 0 HD1 PHE A 118 3.261 5.050 -7.755 1.00 1.33 H new ATOM 0 HD2 PHE A 118 -0.829 6.096 -7.198 1.00 1.27 H new ATOM 0 HE1 PHE A 118 2.582 3.080 -9.052 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -1.511 4.125 -8.491 1.00 1.56 H new ATOM 0 HZ PHE A 118 0.195 2.614 -9.425 1.00 1.41 H new ATOM 1665 N SER A 119 3.145 9.764 -5.930 1.00 0.69 N ATOM 1666 CA SER A 119 3.032 10.992 -5.152 1.00 0.80 C ATOM 1667 C SER A 119 3.547 12.204 -5.927 1.00 0.79 C ATOM 1668 O SER A 119 2.937 13.275 -5.896 1.00 0.90 O ATOM 1669 CB SER A 119 3.788 10.847 -3.831 1.00 0.93 C ATOM 1670 OG SER A 119 5.131 10.452 -4.053 1.00 1.20 O ATOM 0 H SER A 119 4.020 9.256 -5.802 1.00 0.69 H new ATOM 0 HA SER A 119 1.975 11.159 -4.946 1.00 0.80 H new ATOM 0 HB2 SER A 119 3.769 11.794 -3.291 1.00 0.93 H new ATOM 0 HB3 SER A 119 3.288 10.111 -3.201 1.00 0.93 H new ATOM 0 HG SER A 119 5.265 9.543 -3.713 1.00 1.20 H new ATOM 1676 N GLU A 120 4.662 12.031 -6.627 1.00 0.81 N ATOM 1677 CA GLU A 120 5.277 13.125 -7.369 1.00 0.96 C ATOM 1678 C GLU A 120 4.622 13.307 -8.732 1.00 1.17 C ATOM 1679 O GLU A 120 4.832 14.328 -9.387 1.00 1.50 O ATOM 1680 CB GLU A 120 6.776 12.875 -7.547 1.00 1.08 C ATOM 1681 CG GLU A 120 7.566 12.943 -6.251 1.00 1.41 C ATOM 1682 CD GLU A 120 7.473 14.301 -5.587 1.00 2.00 C ATOM 1683 OE1 GLU A 120 7.945 15.290 -6.179 1.00 2.45 O ATOM 1684 OE2 GLU A 120 6.938 14.384 -4.462 1.00 2.77 O ATOM 0 H GLU A 120 5.159 11.143 -6.696 1.00 0.81 H new ATOM 0 HA GLU A 120 5.130 14.038 -6.792 1.00 0.96 H new ATOM 0 HB2 GLU A 120 6.920 11.894 -7.999 1.00 1.08 H new ATOM 0 HB3 GLU A 120 7.177 13.609 -8.245 1.00 1.08 H new ATOM 0 HG2 GLU A 120 7.198 12.180 -5.564 1.00 1.41 H new ATOM 0 HG3 GLU A 120 8.612 12.712 -6.454 1.00 1.41 H new ATOM 1691 N GLU A 121 3.836 12.310 -9.142 1.00 1.22 N ATOM 1692 CA GLU A 121 3.137 12.330 -10.427 1.00 1.56 C ATOM 1693 C GLU A 121 4.132 12.371 -11.583 1.00 2.02 C ATOM 1694 O GLU A 121 4.480 13.480 -12.043 1.00 2.60 O ATOM 1695 CB GLU A 121 2.171 13.516 -10.509 1.00 1.96 C ATOM 1696 CG GLU A 121 1.052 13.463 -9.485 1.00 2.47 C ATOM 1697 CD GLU A 121 0.195 14.709 -9.495 1.00 3.35 C ATOM 1698 OE1 GLU A 121 0.559 15.687 -8.808 1.00 4.00 O ATOM 1699 OE2 GLU A 121 -0.860 14.714 -10.165 1.00 3.84 O ATOM 1700 OXT GLU A 121 4.571 11.291 -12.026 1.00 2.53 O ATOM 0 H GLU A 121 3.667 11.467 -8.593 1.00 1.22 H new ATOM 0 HA GLU A 121 2.555 11.412 -10.505 1.00 1.56 H new ATOM 0 HB2 GLU A 121 2.732 14.440 -10.373 1.00 1.96 H new ATOM 0 HB3 GLU A 121 1.736 13.551 -11.508 1.00 1.96 H new ATOM 0 HG2 GLU A 121 0.425 12.594 -9.682 1.00 2.47 H new ATOM 0 HG3 GLU A 121 1.480 13.329 -8.491 1.00 2.47 H new