USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 927 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 MET CE :methyl -115:sc= -0.249 (180deg=-1.23) USER MOD Set 1.2: A 60 SER OG : rot -22:sc= 0.531 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0344 (180deg=-0.241) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.225 K(o=0.23,f=-0.82) USER MOD Single : A 5 HIS : no HD1:sc= -0.0552 X(o=-0.055,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= 0.234 K(o=0.23,f=-1.3) USER MOD Single : A 8 HIS : no HD1:sc= -0.0787 X(o=-0.079,f=-0.0011) USER MOD Single : A 9 SER OG : rot 30:sc= 0.156 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -131:sc= -0.174 (180deg=-1.87!) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0186) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.6) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00086) USER MOD Single : A 26 THR OG1 : rot 73:sc= -0.525 USER MOD Single : A 29 TYR OH : rot 4:sc= 0.687 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 104:sc= 0.938 USER MOD Single : A 46 HIS : no HD1:sc= 0.031 K(o=0.031,f=-5!) USER MOD Single : A 47 HIS : no HD1:sc= -0.311 K(o=-0.31,f=-1) USER MOD Single : A 48 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.052) USER MOD Single : A 56 CYS SG : rot 180:sc= -1.11 USER MOD Single : A 58 THR OG1 : rot 76:sc= 0.441 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0.485 (180deg=0.47) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 149:sc= 0.776 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.78) USER MOD Single : A 76 ASN : amide:sc= -2.96! C(o=-3!,f=-3.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.063) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0356 USER MOD Single : A 88 SER OG : rot 75:sc=-0.00732 USER MOD Single : A 90 SER OG : rot 87:sc= 0.338 USER MOD Single : A 97 THR OG1 : rot 71:sc= 0.866 USER MOD Single : A 98 GLN : amide:sc= -0.322 K(o=-0.32,f=-3.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.731 44.978 0.622 1.00 74.45 N ATOM 2 CA MET A 1 16.684 45.375 1.676 1.00 31.33 C ATOM 3 C MET A 1 15.979 45.355 3.042 1.00 61.21 C ATOM 4 O MET A 1 15.319 46.332 3.433 1.00 52.13 O ATOM 5 CB MET A 1 17.293 46.767 1.352 1.00 43.34 C ATOM 6 CG MET A 1 18.387 47.233 2.325 1.00 42.11 C ATOM 7 SD MET A 1 19.164 48.792 1.823 1.00 55.04 S ATOM 8 CE MET A 1 17.783 49.939 1.863 1.00 50.11 C ATOM 0 H1 MET A 1 16.209 44.992 -0.301 1.00 74.45 H new ATOM 0 H2 MET A 1 15.379 44.019 0.815 1.00 74.45 H new ATOM 0 H3 MET A 1 14.932 45.643 0.608 1.00 74.45 H new ATOM 0 HA MET A 1 17.509 44.664 1.716 1.00 31.33 H new ATOM 0 HB2 MET A 1 17.709 46.741 0.345 1.00 43.34 H new ATOM 0 HB3 MET A 1 16.492 47.506 1.347 1.00 43.34 H new ATOM 0 HG2 MET A 1 17.955 47.352 3.319 1.00 42.11 H new ATOM 0 HG3 MET A 1 19.152 46.460 2.400 1.00 42.11 H new ATOM 0 HE1 MET A 1 18.157 50.961 1.804 1.00 50.11 H new ATOM 0 HE2 MET A 1 17.124 49.744 1.017 1.00 50.11 H new ATOM 0 HE3 MET A 1 17.229 49.809 2.793 1.00 50.11 H new ATOM 20 N GLY A 2 16.079 44.204 3.735 1.00 5.41 N ATOM 21 CA GLY A 2 15.470 44.016 5.053 1.00 33.03 C ATOM 22 C GLY A 2 13.983 43.649 4.982 1.00 41.23 C ATOM 23 O GLY A 2 13.290 44.020 4.020 1.00 13.54 O ATOM 0 H GLY A 2 16.583 43.386 3.393 1.00 5.41 H new ATOM 0 HA2 GLY A 2 16.007 43.231 5.586 1.00 33.03 H new ATOM 0 HA3 GLY A 2 15.585 44.931 5.634 1.00 33.03 H new ATOM 27 N HIS A 3 13.530 42.851 5.979 1.00 11.34 N ATOM 28 CA HIS A 3 12.101 42.504 6.235 1.00 42.15 C ATOM 29 C HIS A 3 11.537 41.440 5.246 1.00 42.32 C ATOM 30 O HIS A 3 10.645 40.659 5.617 1.00 10.24 O ATOM 31 CB HIS A 3 11.211 43.788 6.274 1.00 72.44 C ATOM 32 CG HIS A 3 9.845 43.624 6.895 1.00 54.03 C ATOM 33 ND1 HIS A 3 9.551 44.041 8.177 1.00 10.02 N ATOM 34 CD2 HIS A 3 8.685 43.133 6.396 1.00 53.33 C ATOM 35 CE1 HIS A 3 8.277 43.824 8.433 1.00 13.14 C ATOM 36 NE2 HIS A 3 7.728 43.273 7.367 1.00 34.20 N ATOM 0 H HIS A 3 14.163 42.416 6.650 1.00 11.34 H new ATOM 0 HA HIS A 3 12.068 42.036 7.219 1.00 42.15 H new ATOM 0 HB2 HIS A 3 11.748 44.562 6.822 1.00 72.44 H new ATOM 0 HB3 HIS A 3 11.084 44.150 5.254 1.00 72.44 H new ATOM 0 HD2 HIS A 3 8.541 42.709 5.413 1.00 53.33 H new ATOM 0 HE1 HIS A 3 7.769 44.057 9.357 1.00 13.14 H new ATOM 0 HE2 HIS A 3 6.750 42.996 7.280 1.00 34.20 H new ATOM 45 N HIS A 4 12.070 41.386 4.013 1.00 33.11 N ATOM 46 CA HIS A 4 11.528 40.551 2.930 1.00 45.13 C ATOM 47 C HIS A 4 12.238 39.181 2.873 1.00 71.13 C ATOM 48 O HIS A 4 13.200 38.992 2.119 1.00 2.31 O ATOM 49 CB HIS A 4 11.649 41.295 1.570 1.00 72.23 C ATOM 50 CG HIS A 4 10.785 42.526 1.446 1.00 0.31 C ATOM 51 ND1 HIS A 4 11.189 43.789 1.831 1.00 73.51 N ATOM 52 CD2 HIS A 4 9.532 42.677 0.949 1.00 13.33 C ATOM 53 CE1 HIS A 4 10.227 44.655 1.571 1.00 71.33 C ATOM 54 NE2 HIS A 4 9.211 44.006 1.040 1.00 61.45 N ATOM 0 H HIS A 4 12.893 41.923 3.740 1.00 33.11 H new ATOM 0 HA HIS A 4 10.473 40.366 3.134 1.00 45.13 H new ATOM 0 HB2 HIS A 4 12.690 41.582 1.419 1.00 72.23 H new ATOM 0 HB3 HIS A 4 11.390 40.603 0.769 1.00 72.23 H new ATOM 0 HD1 HIS A 4 12.090 44.017 2.251 1.00 73.51 H new ATOM 0 HD2 HIS A 4 8.903 41.893 0.554 1.00 13.33 H new ATOM 0 HE1 HIS A 4 10.266 45.717 1.762 1.00 71.33 H new ATOM 63 N HIS A 5 11.797 38.256 3.735 1.00 63.41 N ATOM 64 CA HIS A 5 12.135 36.826 3.634 1.00 0.50 C ATOM 65 C HIS A 5 10.875 36.065 4.056 1.00 14.33 C ATOM 66 O HIS A 5 10.421 36.213 5.199 1.00 31.50 O ATOM 67 CB HIS A 5 13.357 36.456 4.527 1.00 55.45 C ATOM 68 CG HIS A 5 13.998 35.122 4.186 1.00 2.34 C ATOM 69 ND1 HIS A 5 14.384 34.189 5.131 1.00 24.14 N ATOM 70 CD2 HIS A 5 14.324 34.577 2.983 1.00 61.45 C ATOM 71 CE1 HIS A 5 14.923 33.145 4.522 1.00 73.53 C ATOM 72 NE2 HIS A 5 14.897 33.353 3.223 1.00 75.41 N ATOM 0 H HIS A 5 11.193 38.477 4.527 1.00 63.41 H new ATOM 0 HA HIS A 5 12.432 36.564 2.618 1.00 0.50 H new ATOM 0 HB2 HIS A 5 14.108 37.241 4.438 1.00 55.45 H new ATOM 0 HB3 HIS A 5 13.038 36.437 5.569 1.00 55.45 H new ATOM 0 HD2 HIS A 5 14.161 35.026 2.014 1.00 61.45 H new ATOM 0 HE1 HIS A 5 15.319 32.267 5.011 1.00 73.53 H new ATOM 0 HE2 HIS A 5 15.245 32.710 2.512 1.00 75.41 H new ATOM 81 N HIS A 6 10.299 35.290 3.124 1.00 64.23 N ATOM 82 CA HIS A 6 8.922 34.776 3.251 1.00 3.45 C ATOM 83 C HIS A 6 8.826 33.637 4.290 1.00 4.53 C ATOM 84 O HIS A 6 9.106 32.470 3.992 1.00 43.30 O ATOM 85 CB HIS A 6 8.389 34.334 1.859 1.00 0.45 C ATOM 86 CG HIS A 6 6.908 34.031 1.812 1.00 71.14 C ATOM 87 ND1 HIS A 6 6.368 33.061 0.998 1.00 3.14 N ATOM 88 CD2 HIS A 6 5.858 34.599 2.458 1.00 13.13 C ATOM 89 CE1 HIS A 6 5.060 33.043 1.144 1.00 42.12 C ATOM 90 NE2 HIS A 6 4.726 33.964 2.022 1.00 52.14 N ATOM 0 H HIS A 6 10.769 35.002 2.266 1.00 64.23 H new ATOM 0 HA HIS A 6 8.289 35.583 3.621 1.00 3.45 H new ATOM 0 HB2 HIS A 6 8.608 35.120 1.136 1.00 0.45 H new ATOM 0 HB3 HIS A 6 8.937 33.447 1.541 1.00 0.45 H new ATOM 0 HD2 HIS A 6 5.906 35.401 3.180 1.00 13.13 H new ATOM 0 HE1 HIS A 6 4.376 32.384 0.630 1.00 42.12 H new ATOM 0 HE2 HIS A 6 3.776 34.172 2.329 1.00 52.14 H new ATOM 99 N HIS A 7 8.479 34.029 5.528 1.00 75.23 N ATOM 100 CA HIS A 7 8.188 33.110 6.652 1.00 72.12 C ATOM 101 C HIS A 7 6.668 32.803 6.700 1.00 21.40 C ATOM 102 O HIS A 7 5.973 32.949 5.679 1.00 12.12 O ATOM 103 CB HIS A 7 8.660 33.770 7.985 1.00 72.41 C ATOM 104 CG HIS A 7 10.152 33.896 8.134 1.00 70.31 C ATOM 105 ND1 HIS A 7 10.857 35.004 7.722 1.00 23.52 N ATOM 106 CD2 HIS A 7 11.064 33.064 8.698 1.00 44.23 C ATOM 107 CE1 HIS A 7 12.135 34.845 8.005 1.00 2.13 C ATOM 108 NE2 HIS A 7 12.286 33.678 8.599 1.00 34.32 N ATOM 0 H HIS A 7 8.390 35.012 5.785 1.00 75.23 H new ATOM 0 HA HIS A 7 8.722 32.170 6.512 1.00 72.12 H new ATOM 0 HB2 HIS A 7 8.217 34.763 8.059 1.00 72.41 H new ATOM 0 HB3 HIS A 7 8.274 33.185 8.820 1.00 72.41 H new ATOM 0 HD1 HIS A 7 10.453 35.823 7.267 1.00 23.52 H new ATOM 0 HD2 HIS A 7 10.865 32.100 9.141 1.00 44.23 H new ATOM 0 HE1 HIS A 7 12.923 35.550 7.787 1.00 2.13 H new ATOM 117 N HIS A 8 6.189 32.336 7.881 1.00 22.44 N ATOM 118 CA HIS A 8 4.752 32.156 8.218 1.00 44.24 C ATOM 119 C HIS A 8 4.159 30.919 7.506 1.00 23.04 C ATOM 120 O HIS A 8 4.196 30.812 6.271 1.00 14.11 O ATOM 121 CB HIS A 8 3.918 33.445 7.925 1.00 43.13 C ATOM 122 CG HIS A 8 2.551 33.525 8.576 1.00 3.44 C ATOM 123 ND1 HIS A 8 2.053 34.695 9.115 1.00 22.53 N ATOM 124 CD2 HIS A 8 1.572 32.600 8.751 1.00 0.12 C ATOM 125 CE1 HIS A 8 0.840 34.481 9.587 1.00 74.32 C ATOM 126 NE2 HIS A 8 0.523 33.223 9.372 1.00 22.43 N ATOM 0 H HIS A 8 6.807 32.067 8.646 1.00 22.44 H new ATOM 0 HA HIS A 8 4.692 31.978 9.292 1.00 44.24 H new ATOM 0 HB2 HIS A 8 4.500 34.309 8.245 1.00 43.13 H new ATOM 0 HB3 HIS A 8 3.788 33.530 6.846 1.00 43.13 H new ATOM 0 HD2 HIS A 8 1.614 31.562 8.454 1.00 0.12 H new ATOM 0 HE1 HIS A 8 0.212 35.216 10.069 1.00 74.32 H new ATOM 0 HE2 HIS A 8 -0.361 32.783 9.627 1.00 22.43 H new ATOM 135 N SER A 9 3.591 30.010 8.312 1.00 51.12 N ATOM 136 CA SER A 9 3.000 28.752 7.849 1.00 34.22 C ATOM 137 C SER A 9 1.726 28.986 7.007 1.00 44.05 C ATOM 138 O SER A 9 0.731 29.536 7.502 1.00 14.33 O ATOM 139 CB SER A 9 2.694 27.855 9.073 1.00 61.32 C ATOM 140 OG SER A 9 1.863 28.516 10.022 1.00 51.30 O ATOM 0 H SER A 9 3.530 30.134 9.323 1.00 51.12 H new ATOM 0 HA SER A 9 3.717 28.253 7.198 1.00 34.22 H new ATOM 0 HB2 SER A 9 2.206 26.939 8.739 1.00 61.32 H new ATOM 0 HB3 SER A 9 3.629 27.562 9.551 1.00 61.32 H new ATOM 0 HG SER A 9 1.286 29.159 9.560 1.00 51.30 H new ATOM 146 N HIS A 10 1.799 28.630 5.711 1.00 52.01 N ATOM 147 CA HIS A 10 0.606 28.444 4.859 1.00 32.10 C ATOM 148 C HIS A 10 0.094 27.012 5.084 1.00 65.24 C ATOM 149 O HIS A 10 -1.117 26.772 5.134 1.00 34.11 O ATOM 150 CB HIS A 10 0.935 28.693 3.361 1.00 14.40 C ATOM 151 CG HIS A 10 -0.273 28.837 2.463 1.00 33.24 C ATOM 152 ND1 HIS A 10 -0.818 27.796 1.735 1.00 4.12 N ATOM 153 CD2 HIS A 10 -1.023 29.925 2.161 1.00 2.42 C ATOM 154 CE1 HIS A 10 -1.843 28.239 1.032 1.00 64.14 C ATOM 155 NE2 HIS A 10 -1.987 29.526 1.271 1.00 15.15 N ATOM 0 H HIS A 10 2.681 28.464 5.226 1.00 52.01 H new ATOM 0 HA HIS A 10 -0.163 29.168 5.129 1.00 32.10 H new ATOM 0 HB2 HIS A 10 1.539 29.597 3.281 1.00 14.40 H new ATOM 0 HB3 HIS A 10 1.546 27.868 2.995 1.00 14.40 H new ATOM 0 HD2 HIS A 10 -0.886 30.923 2.550 1.00 2.42 H new ATOM 0 HE1 HIS A 10 -2.459 27.646 0.372 1.00 64.14 H new ATOM 0 HE2 HIS A 10 -2.700 30.129 0.861 1.00 15.15 H new ATOM 164 N MET A 11 1.071 26.086 5.214 1.00 3.42 N ATOM 165 CA MET A 11 0.872 24.692 5.638 1.00 23.42 C ATOM 166 C MET A 11 -0.112 23.922 4.714 1.00 11.24 C ATOM 167 O MET A 11 -1.325 23.914 4.971 1.00 22.32 O ATOM 168 CB MET A 11 0.431 24.624 7.133 1.00 1.22 C ATOM 169 CG MET A 11 0.422 23.214 7.771 1.00 61.44 C ATOM 170 SD MET A 11 2.046 22.647 8.359 1.00 20.00 S ATOM 171 CE MET A 11 2.826 22.008 6.879 1.00 73.04 C ATOM 0 H MET A 11 2.049 26.301 5.019 1.00 3.42 H new ATOM 0 HA MET A 11 1.834 24.188 5.545 1.00 23.42 H new ATOM 0 HB2 MET A 11 1.095 25.262 7.717 1.00 1.22 H new ATOM 0 HB3 MET A 11 -0.571 25.046 7.216 1.00 1.22 H new ATOM 0 HG2 MET A 11 -0.275 23.212 8.609 1.00 61.44 H new ATOM 0 HG3 MET A 11 0.044 22.500 7.040 1.00 61.44 H new ATOM 0 HE1 MET A 11 3.236 21.019 7.082 1.00 73.04 H new ATOM 0 HE2 MET A 11 2.088 21.938 6.080 1.00 73.04 H new ATOM 0 HE3 MET A 11 3.630 22.678 6.573 1.00 73.04 H new ATOM 181 N PRO A 12 0.396 23.306 3.590 1.00 40.13 N ATOM 182 CA PRO A 12 -0.410 22.400 2.721 1.00 32.31 C ATOM 183 C PRO A 12 -1.028 21.227 3.511 1.00 32.31 C ATOM 184 O PRO A 12 -2.078 20.706 3.122 1.00 22.14 O ATOM 185 CB PRO A 12 0.609 21.906 1.664 1.00 12.14 C ATOM 186 CG PRO A 12 1.622 23.005 1.608 1.00 52.03 C ATOM 187 CD PRO A 12 1.768 23.481 3.040 1.00 65.34 C ATOM 0 HA PRO A 12 -1.267 22.907 2.278 1.00 32.31 H new ATOM 0 HB2 PRO A 12 1.062 20.959 1.956 1.00 12.14 H new ATOM 0 HB3 PRO A 12 0.136 21.748 0.695 1.00 12.14 H new ATOM 0 HG2 PRO A 12 2.572 22.645 1.213 1.00 52.03 H new ATOM 0 HG3 PRO A 12 1.291 23.813 0.956 1.00 52.03 H new ATOM 0 HD2 PRO A 12 2.502 22.891 3.589 1.00 65.34 H new ATOM 0 HD3 PRO A 12 2.093 24.520 3.089 1.00 65.34 H new ATOM 195 N LYS A 13 -0.313 20.804 4.589 1.00 51.21 N ATOM 196 CA LYS A 13 -0.835 19.939 5.683 1.00 44.40 C ATOM 197 C LYS A 13 -0.867 18.438 5.302 1.00 55.54 C ATOM 198 O LYS A 13 -0.219 17.613 5.966 1.00 21.12 O ATOM 199 CB LYS A 13 -2.237 20.431 6.170 1.00 44.30 C ATOM 200 CG LYS A 13 -2.836 19.654 7.363 1.00 21.44 C ATOM 201 CD LYS A 13 -4.274 20.120 7.713 1.00 24.33 C ATOM 202 CE LYS A 13 -4.892 19.347 8.894 1.00 12.44 C ATOM 203 NZ LYS A 13 -4.116 19.506 10.150 1.00 53.25 N ATOM 0 H LYS A 13 0.665 21.061 4.724 1.00 51.21 H new ATOM 0 HA LYS A 13 -0.133 20.030 6.512 1.00 44.40 H new ATOM 0 HB2 LYS A 13 -2.158 21.482 6.446 1.00 44.30 H new ATOM 0 HB3 LYS A 13 -2.934 20.373 5.334 1.00 44.30 H new ATOM 0 HG2 LYS A 13 -2.849 18.589 7.129 1.00 21.44 H new ATOM 0 HG3 LYS A 13 -2.194 19.781 8.235 1.00 21.44 H new ATOM 0 HD2 LYS A 13 -4.256 21.183 7.953 1.00 24.33 H new ATOM 0 HD3 LYS A 13 -4.911 20.001 6.836 1.00 24.33 H new ATOM 0 HE2 LYS A 13 -5.913 19.694 9.056 1.00 12.44 H new ATOM 0 HE3 LYS A 13 -4.951 18.289 8.639 1.00 12.44 H new ATOM 0 HZ1 LYS A 13 -4.619 19.037 10.930 1.00 53.25 H new ATOM 0 HZ2 LYS A 13 -3.177 19.075 10.035 1.00 53.25 H new ATOM 0 HZ3 LYS A 13 -4.008 20.518 10.366 1.00 53.25 H new ATOM 217 N ALA A 14 -1.613 18.114 4.228 1.00 41.43 N ATOM 218 CA ALA A 14 -1.865 16.728 3.775 1.00 13.42 C ATOM 219 C ALA A 14 -0.567 15.960 3.461 1.00 70.04 C ATOM 220 O ALA A 14 -0.488 14.754 3.722 1.00 42.11 O ATOM 221 CB ALA A 14 -2.799 16.737 2.551 1.00 62.14 C ATOM 0 H ALA A 14 -2.065 18.816 3.641 1.00 41.43 H new ATOM 0 HA ALA A 14 -2.348 16.201 4.598 1.00 13.42 H new ATOM 0 HB1 ALA A 14 -2.980 15.713 2.224 1.00 62.14 H new ATOM 0 HB2 ALA A 14 -3.746 17.205 2.820 1.00 62.14 H new ATOM 0 HB3 ALA A 14 -2.333 17.300 1.742 1.00 62.14 H new ATOM 227 N THR A 15 0.442 16.672 2.903 1.00 3.30 N ATOM 228 CA THR A 15 1.768 16.092 2.613 1.00 63.33 C ATOM 229 C THR A 15 2.408 15.539 3.906 1.00 74.24 C ATOM 230 O THR A 15 2.582 14.336 4.024 1.00 64.03 O ATOM 231 CB THR A 15 2.739 17.136 1.947 1.00 53.44 C ATOM 232 OG1 THR A 15 2.106 17.741 0.812 1.00 65.22 O ATOM 233 CG2 THR A 15 4.073 16.495 1.498 1.00 2.45 C ATOM 0 H THR A 15 0.357 17.655 2.645 1.00 3.30 H new ATOM 0 HA THR A 15 1.613 15.279 1.903 1.00 63.33 H new ATOM 0 HB THR A 15 2.964 17.888 2.703 1.00 53.44 H new ATOM 0 HG1 THR A 15 2.716 18.390 0.405 1.00 65.22 H new ATOM 0 HG21 THR A 15 4.708 17.256 1.045 1.00 2.45 H new ATOM 0 HG22 THR A 15 4.580 16.067 2.363 1.00 2.45 H new ATOM 0 HG23 THR A 15 3.872 15.709 0.770 1.00 2.45 H new ATOM 241 N ALA A 16 2.652 16.439 4.887 1.00 65.03 N ATOM 242 CA ALA A 16 3.385 16.128 6.143 1.00 53.43 C ATOM 243 C ALA A 16 2.831 14.879 6.868 1.00 41.42 C ATOM 244 O ALA A 16 3.541 13.875 7.030 1.00 74.52 O ATOM 245 CB ALA A 16 3.341 17.354 7.076 1.00 32.21 C ATOM 0 H ALA A 16 2.344 17.410 4.831 1.00 65.03 H new ATOM 0 HA ALA A 16 4.416 15.897 5.874 1.00 53.43 H new ATOM 0 HB1 ALA A 16 3.878 17.129 7.998 1.00 32.21 H new ATOM 0 HB2 ALA A 16 3.810 18.205 6.581 1.00 32.21 H new ATOM 0 HB3 ALA A 16 2.304 17.596 7.310 1.00 32.21 H new ATOM 251 N GLN A 17 1.533 14.941 7.223 1.00 41.42 N ATOM 252 CA GLN A 17 0.864 13.909 8.045 1.00 10.14 C ATOM 253 C GLN A 17 0.869 12.531 7.341 1.00 62.11 C ATOM 254 O GLN A 17 1.402 11.542 7.880 1.00 41.23 O ATOM 255 CB GLN A 17 -0.595 14.341 8.363 1.00 51.22 C ATOM 256 CG GLN A 17 -0.727 15.718 9.050 1.00 32.52 C ATOM 257 CD GLN A 17 -2.178 16.071 9.392 1.00 63.41 C ATOM 258 OE1 GLN A 17 -2.896 16.663 8.589 1.00 53.14 O ATOM 259 NE2 GLN A 17 -2.615 15.709 10.589 1.00 3.22 N ATOM 0 H GLN A 17 0.917 15.707 6.949 1.00 41.42 H new ATOM 0 HA GLN A 17 1.422 13.811 8.976 1.00 10.14 H new ATOM 0 HB2 GLN A 17 -1.165 14.358 7.434 1.00 51.22 H new ATOM 0 HB3 GLN A 17 -1.051 13.586 9.003 1.00 51.22 H new ATOM 0 HG2 GLN A 17 -0.131 15.723 9.963 1.00 32.52 H new ATOM 0 HG3 GLN A 17 -0.315 16.487 8.396 1.00 32.52 H new ATOM 0 HE21 GLN A 17 -1.993 15.219 11.232 1.00 3.22 H new ATOM 0 HE22 GLN A 17 -3.573 15.920 10.868 1.00 3.22 H new ATOM 268 N MET A 18 0.312 12.509 6.111 1.00 3.42 N ATOM 269 CA MET A 18 0.174 11.286 5.292 1.00 12.01 C ATOM 270 C MET A 18 1.543 10.622 5.058 1.00 5.33 C ATOM 271 O MET A 18 1.692 9.407 5.211 1.00 31.20 O ATOM 272 CB MET A 18 -0.474 11.631 3.927 1.00 61.50 C ATOM 273 CG MET A 18 -0.708 10.433 2.995 1.00 10.24 C ATOM 274 SD MET A 18 -0.970 10.915 1.280 1.00 40.51 S ATOM 275 CE MET A 18 0.649 11.569 0.873 1.00 21.02 C ATOM 0 H MET A 18 -0.057 13.344 5.656 1.00 3.42 H new ATOM 0 HA MET A 18 -0.464 10.587 5.833 1.00 12.01 H new ATOM 0 HB2 MET A 18 -1.430 12.121 4.110 1.00 61.50 H new ATOM 0 HB3 MET A 18 0.161 12.353 3.413 1.00 61.50 H new ATOM 0 HG2 MET A 18 0.150 9.763 3.051 1.00 10.24 H new ATOM 0 HG3 MET A 18 -1.574 9.871 3.345 1.00 10.24 H new ATOM 0 HE1 MET A 18 0.569 12.636 0.667 1.00 21.02 H new ATOM 0 HE2 MET A 18 1.327 11.411 1.712 1.00 21.02 H new ATOM 0 HE3 MET A 18 1.037 11.058 -0.008 1.00 21.02 H new ATOM 285 N GLU A 19 2.532 11.464 4.715 1.00 64.54 N ATOM 286 CA GLU A 19 3.912 11.043 4.413 1.00 13.30 C ATOM 287 C GLU A 19 4.522 10.333 5.635 1.00 64.31 C ATOM 288 O GLU A 19 4.992 9.201 5.519 1.00 52.30 O ATOM 289 CB GLU A 19 4.747 12.290 3.997 1.00 41.41 C ATOM 290 CG GLU A 19 6.071 12.032 3.235 1.00 42.13 C ATOM 291 CD GLU A 19 7.288 11.637 4.101 1.00 44.24 C ATOM 292 OE1 GLU A 19 7.392 12.092 5.260 1.00 24.12 O ATOM 293 OE2 GLU A 19 8.173 10.902 3.601 1.00 61.34 O ATOM 0 H GLU A 19 2.394 12.472 4.638 1.00 64.54 H new ATOM 0 HA GLU A 19 3.916 10.335 3.584 1.00 13.30 H new ATOM 0 HB2 GLU A 19 4.117 12.926 3.375 1.00 41.41 H new ATOM 0 HB3 GLU A 19 4.981 12.856 4.898 1.00 41.41 H new ATOM 0 HG2 GLU A 19 5.898 11.241 2.505 1.00 42.13 H new ATOM 0 HG3 GLU A 19 6.326 12.932 2.675 1.00 42.13 H new ATOM 300 N GLU A 20 4.442 10.998 6.811 1.00 33.52 N ATOM 301 CA GLU A 20 4.965 10.462 8.088 1.00 50.30 C ATOM 302 C GLU A 20 4.349 9.093 8.431 1.00 32.31 C ATOM 303 O GLU A 20 5.081 8.146 8.740 1.00 24.32 O ATOM 304 CB GLU A 20 4.725 11.471 9.246 1.00 55.04 C ATOM 305 CG GLU A 20 5.631 12.717 9.185 1.00 43.23 C ATOM 306 CD GLU A 20 5.300 13.768 10.257 1.00 64.02 C ATOM 307 OE1 GLU A 20 5.274 13.410 11.459 1.00 41.32 O ATOM 308 OE2 GLU A 20 5.060 14.949 9.911 1.00 23.21 O ATOM 0 H GLU A 20 4.014 11.919 6.901 1.00 33.52 H new ATOM 0 HA GLU A 20 6.038 10.318 7.964 1.00 50.30 H new ATOM 0 HB2 GLU A 20 3.683 11.790 9.227 1.00 55.04 H new ATOM 0 HB3 GLU A 20 4.886 10.963 10.197 1.00 55.04 H new ATOM 0 HG2 GLU A 20 6.670 12.407 9.300 1.00 43.23 H new ATOM 0 HG3 GLU A 20 5.541 13.174 8.199 1.00 43.23 H new ATOM 315 N LYS A 21 3.011 8.982 8.333 1.00 4.21 N ATOM 316 CA LYS A 21 2.300 7.725 8.689 1.00 62.25 C ATOM 317 C LYS A 21 2.618 6.598 7.684 1.00 2.11 C ATOM 318 O LYS A 21 2.681 5.412 8.052 1.00 33.30 O ATOM 319 CB LYS A 21 0.767 7.959 8.799 1.00 5.03 C ATOM 320 CG LYS A 21 0.371 9.147 9.706 1.00 63.32 C ATOM 321 CD LYS A 21 1.055 9.119 11.099 1.00 10.34 C ATOM 322 CE LYS A 21 0.755 10.382 11.922 1.00 44.54 C ATOM 323 NZ LYS A 21 -0.681 10.491 12.280 1.00 12.01 N ATOM 0 H LYS A 21 2.400 9.734 8.015 1.00 4.21 H new ATOM 0 HA LYS A 21 2.660 7.408 9.668 1.00 62.25 H new ATOM 0 HB2 LYS A 21 0.364 8.129 7.801 1.00 5.03 H new ATOM 0 HB3 LYS A 21 0.299 7.052 9.182 1.00 5.03 H new ATOM 0 HG2 LYS A 21 0.628 10.079 9.203 1.00 63.32 H new ATOM 0 HG3 LYS A 21 -0.711 9.145 9.841 1.00 63.32 H new ATOM 0 HD2 LYS A 21 0.717 8.241 11.649 1.00 10.34 H new ATOM 0 HD3 LYS A 21 2.133 9.020 10.970 1.00 10.34 H new ATOM 0 HE2 LYS A 21 1.355 10.371 12.832 1.00 44.54 H new ATOM 0 HE3 LYS A 21 1.054 11.263 11.354 1.00 44.54 H new ATOM 0 HZ1 LYS A 21 -0.833 11.349 12.849 1.00 12.01 H new ATOM 0 HZ2 LYS A 21 -1.252 10.545 11.412 1.00 12.01 H new ATOM 0 HZ3 LYS A 21 -0.966 9.656 12.830 1.00 12.01 H new ATOM 337 N LEU A 22 2.841 6.992 6.418 1.00 32.41 N ATOM 338 CA LEU A 22 3.251 6.074 5.344 1.00 44.21 C ATOM 339 C LEU A 22 4.713 5.613 5.595 1.00 44.12 C ATOM 340 O LEU A 22 5.068 4.485 5.256 1.00 25.11 O ATOM 341 CB LEU A 22 3.051 6.771 3.957 1.00 52.43 C ATOM 342 CG LEU A 22 2.764 5.858 2.715 1.00 61.43 C ATOM 343 CD1 LEU A 22 2.305 6.706 1.503 1.00 51.20 C ATOM 344 CD2 LEU A 22 3.982 4.984 2.339 1.00 41.40 C ATOM 0 H LEU A 22 2.741 7.960 6.111 1.00 32.41 H new ATOM 0 HA LEU A 22 2.631 5.178 5.338 1.00 44.21 H new ATOM 0 HB2 LEU A 22 2.225 7.476 4.052 1.00 52.43 H new ATOM 0 HB3 LEU A 22 3.946 7.355 3.744 1.00 52.43 H new ATOM 0 HG LEU A 22 1.956 5.182 2.995 1.00 61.43 H new ATOM 0 HD11 LEU A 22 2.112 6.051 0.653 1.00 51.20 H new ATOM 0 HD12 LEU A 22 1.393 7.245 1.760 1.00 51.20 H new ATOM 0 HD13 LEU A 22 3.087 7.419 1.241 1.00 51.20 H new ATOM 0 HD21 LEU A 22 3.735 4.369 1.473 1.00 41.40 H new ATOM 0 HD22 LEU A 22 4.830 5.626 2.099 1.00 41.40 H new ATOM 0 HD23 LEU A 22 4.241 4.340 3.179 1.00 41.40 H new ATOM 356 N ARG A 23 5.547 6.475 6.225 1.00 70.25 N ATOM 357 CA ARG A 23 6.922 6.091 6.634 1.00 72.22 C ATOM 358 C ARG A 23 6.866 5.049 7.762 1.00 32.43 C ATOM 359 O ARG A 23 7.577 4.043 7.725 1.00 2.14 O ATOM 360 CB ARG A 23 7.758 7.300 7.125 1.00 54.33 C ATOM 361 CG ARG A 23 7.933 8.444 6.118 1.00 34.15 C ATOM 362 CD ARG A 23 9.020 9.445 6.544 1.00 60.22 C ATOM 363 NE ARG A 23 10.373 8.877 6.381 1.00 24.04 N ATOM 364 CZ ARG A 23 11.200 9.145 5.356 1.00 24.31 C ATOM 365 NH1 ARG A 23 10.841 9.980 4.392 1.00 20.01 N ATOM 366 NH2 ARG A 23 12.380 8.549 5.285 1.00 62.12 N ATOM 0 H ARG A 23 5.295 7.435 6.460 1.00 70.25 H new ATOM 0 HA ARG A 23 7.405 5.679 5.748 1.00 72.22 H new ATOM 0 HB2 ARG A 23 7.289 7.701 8.024 1.00 54.33 H new ATOM 0 HB3 ARG A 23 8.746 6.941 7.414 1.00 54.33 H new ATOM 0 HG2 ARG A 23 8.188 8.029 5.143 1.00 34.15 H new ATOM 0 HG3 ARG A 23 6.985 8.970 6.002 1.00 34.15 H new ATOM 0 HD2 ARG A 23 8.932 10.354 5.949 1.00 60.22 H new ATOM 0 HD3 ARG A 23 8.867 9.729 7.585 1.00 60.22 H new ATOM 0 HE ARG A 23 10.705 8.234 7.100 1.00 24.04 H new ATOM 0 HH11 ARG A 23 9.926 10.430 4.421 1.00 20.01 H new ATOM 0 HH12 ARG A 23 11.480 10.173 3.621 1.00 20.01 H new ATOM 0 HH21 ARG A 23 12.661 7.887 6.008 1.00 62.12 H new ATOM 0 HH22 ARG A 23 13.008 8.752 4.507 1.00 62.12 H new ATOM 380 N ASP A 24 6.010 5.318 8.767 1.00 5.21 N ATOM 381 CA ASP A 24 5.818 4.426 9.931 1.00 30.31 C ATOM 382 C ASP A 24 5.165 3.092 9.513 1.00 13.45 C ATOM 383 O ASP A 24 5.285 2.078 10.216 1.00 31.55 O ATOM 384 CB ASP A 24 4.982 5.139 11.026 1.00 13.04 C ATOM 385 CG ASP A 24 5.725 6.321 11.687 1.00 44.04 C ATOM 386 OD1 ASP A 24 6.778 6.094 12.331 1.00 62.44 O ATOM 387 OD2 ASP A 24 5.257 7.476 11.591 1.00 42.11 O ATOM 0 H ASP A 24 5.432 6.158 8.796 1.00 5.21 H new ATOM 0 HA ASP A 24 6.799 4.193 10.346 1.00 30.31 H new ATOM 0 HB2 ASP A 24 4.054 5.503 10.586 1.00 13.04 H new ATOM 0 HB3 ASP A 24 4.709 4.415 11.794 1.00 13.04 H new ATOM 392 N PHE A 25 4.449 3.126 8.376 1.00 11.44 N ATOM 393 CA PHE A 25 3.964 1.926 7.678 1.00 4.32 C ATOM 394 C PHE A 25 5.173 1.145 7.094 1.00 21.32 C ATOM 395 O PHE A 25 5.535 0.085 7.609 1.00 74.32 O ATOM 396 CB PHE A 25 2.953 2.378 6.579 1.00 21.31 C ATOM 397 CG PHE A 25 2.362 1.279 5.687 1.00 71.04 C ATOM 398 CD1 PHE A 25 1.270 0.524 6.114 1.00 44.35 C ATOM 399 CD2 PHE A 25 2.878 1.022 4.411 1.00 71.45 C ATOM 400 CE1 PHE A 25 0.718 -0.450 5.302 1.00 42.24 C ATOM 401 CE2 PHE A 25 2.323 0.043 3.604 1.00 61.43 C ATOM 402 CZ PHE A 25 1.242 -0.691 4.052 1.00 62.54 C ATOM 0 H PHE A 25 4.189 3.997 7.912 1.00 11.44 H new ATOM 0 HA PHE A 25 3.447 1.249 8.358 1.00 4.32 H new ATOM 0 HB2 PHE A 25 2.129 2.897 7.069 1.00 21.31 H new ATOM 0 HB3 PHE A 25 3.451 3.105 5.937 1.00 21.31 H new ATOM 0 HD1 PHE A 25 0.849 0.702 7.093 1.00 44.35 H new ATOM 0 HD2 PHE A 25 3.720 1.595 4.051 1.00 71.45 H new ATOM 0 HE1 PHE A 25 -0.128 -1.024 5.650 1.00 42.24 H new ATOM 0 HE2 PHE A 25 2.735 -0.147 2.624 1.00 61.43 H new ATOM 0 HZ PHE A 25 0.808 -1.453 3.422 1.00 62.54 H new ATOM 412 N THR A 26 5.852 1.760 6.108 1.00 14.23 N ATOM 413 CA THR A 26 6.890 1.112 5.270 1.00 42.53 C ATOM 414 C THR A 26 8.075 0.537 6.093 1.00 74.20 C ATOM 415 O THR A 26 8.479 -0.609 5.888 1.00 74.02 O ATOM 416 CB THR A 26 7.408 2.134 4.197 1.00 44.15 C ATOM 417 OG1 THR A 26 6.304 2.571 3.393 1.00 32.24 O ATOM 418 CG2 THR A 26 8.497 1.543 3.282 1.00 12.21 C ATOM 0 H THR A 26 5.695 2.738 5.863 1.00 14.23 H new ATOM 0 HA THR A 26 6.422 0.258 4.780 1.00 42.53 H new ATOM 0 HB THR A 26 7.857 2.968 4.736 1.00 44.15 H new ATOM 0 HG1 THR A 26 5.742 3.182 3.913 1.00 32.24 H new ATOM 0 HG21 THR A 26 8.815 2.296 2.561 1.00 12.21 H new ATOM 0 HG22 THR A 26 9.351 1.234 3.885 1.00 12.21 H new ATOM 0 HG23 THR A 26 8.097 0.679 2.751 1.00 12.21 H new ATOM 426 N ARG A 27 8.575 1.331 7.057 1.00 43.43 N ATOM 427 CA ARG A 27 9.775 0.983 7.869 1.00 64.31 C ATOM 428 C ARG A 27 9.509 -0.152 8.876 1.00 63.00 C ATOM 429 O ARG A 27 10.457 -0.794 9.353 1.00 71.04 O ATOM 430 CB ARG A 27 10.343 2.254 8.585 1.00 73.52 C ATOM 431 CG ARG A 27 11.406 3.031 7.773 1.00 50.41 C ATOM 432 CD ARG A 27 12.697 2.215 7.566 1.00 73.54 C ATOM 433 NE ARG A 27 13.754 2.986 6.881 1.00 64.12 N ATOM 434 CZ ARG A 27 14.326 2.659 5.714 1.00 14.10 C ATOM 435 NH1 ARG A 27 13.948 1.582 5.045 1.00 62.14 N ATOM 436 NH2 ARG A 27 15.318 3.399 5.243 1.00 22.12 N ATOM 0 H ARG A 27 8.166 2.233 7.302 1.00 43.43 H new ATOM 0 HA ARG A 27 10.527 0.605 7.177 1.00 64.31 H new ATOM 0 HB2 ARG A 27 9.516 2.927 8.813 1.00 73.52 H new ATOM 0 HB3 ARG A 27 10.781 1.953 9.537 1.00 73.52 H new ATOM 0 HG2 ARG A 27 10.991 3.303 6.802 1.00 50.41 H new ATOM 0 HG3 ARG A 27 11.646 3.961 8.289 1.00 50.41 H new ATOM 0 HD2 ARG A 27 13.068 1.878 8.534 1.00 73.54 H new ATOM 0 HD3 ARG A 27 12.469 1.322 6.984 1.00 73.54 H new ATOM 0 HE ARG A 27 14.076 3.841 7.335 1.00 64.12 H new ATOM 0 HH11 ARG A 27 13.209 0.984 5.416 1.00 62.14 H new ATOM 0 HH12 ARG A 27 14.395 1.349 4.158 1.00 62.14 H new ATOM 0 HH21 ARG A 27 15.642 4.212 5.768 1.00 22.12 H new ATOM 0 HH22 ARG A 27 15.758 3.156 4.356 1.00 22.12 H new ATOM 450 N ALA A 28 8.231 -0.391 9.198 1.00 2.43 N ATOM 451 CA ALA A 28 7.819 -1.497 10.084 1.00 13.50 C ATOM 452 C ALA A 28 7.998 -2.860 9.376 1.00 73.31 C ATOM 453 O ALA A 28 8.299 -3.875 10.022 1.00 12.35 O ATOM 454 CB ALA A 28 6.358 -1.292 10.530 1.00 43.44 C ATOM 0 H ALA A 28 7.453 0.173 8.855 1.00 2.43 H new ATOM 0 HA ALA A 28 8.455 -1.498 10.969 1.00 13.50 H new ATOM 0 HB1 ALA A 28 6.059 -2.111 11.184 1.00 43.44 H new ATOM 0 HB2 ALA A 28 6.271 -0.348 11.068 1.00 43.44 H new ATOM 0 HB3 ALA A 28 5.710 -1.272 9.654 1.00 43.44 H new ATOM 460 N TYR A 29 7.809 -2.856 8.040 1.00 52.12 N ATOM 461 CA TYR A 29 7.884 -4.067 7.192 1.00 52.23 C ATOM 462 C TYR A 29 8.236 -3.699 5.740 1.00 22.13 C ATOM 463 O TYR A 29 7.388 -3.235 4.978 1.00 5.31 O ATOM 464 CB TYR A 29 6.551 -4.887 7.276 1.00 0.45 C ATOM 465 CG TYR A 29 5.283 -4.062 7.554 1.00 4.34 C ATOM 466 CD1 TYR A 29 4.899 -3.022 6.711 1.00 13.41 C ATOM 467 CD2 TYR A 29 4.489 -4.314 8.680 1.00 34.43 C ATOM 468 CE1 TYR A 29 3.777 -2.271 6.978 1.00 42.10 C ATOM 469 CE2 TYR A 29 3.365 -3.564 8.946 1.00 62.33 C ATOM 470 CZ TYR A 29 3.017 -2.543 8.096 1.00 30.53 C ATOM 471 OH TYR A 29 1.903 -1.787 8.369 1.00 11.23 O ATOM 0 H TYR A 29 7.599 -2.007 7.515 1.00 52.12 H new ATOM 0 HA TYR A 29 8.685 -4.703 7.570 1.00 52.23 H new ATOM 0 HB2 TYR A 29 6.415 -5.424 6.337 1.00 0.45 H new ATOM 0 HB3 TYR A 29 6.655 -5.637 8.060 1.00 0.45 H new ATOM 0 HD1 TYR A 29 5.491 -2.802 5.835 1.00 13.41 H new ATOM 0 HD2 TYR A 29 4.764 -5.113 9.353 1.00 34.43 H new ATOM 0 HE1 TYR A 29 3.492 -1.469 6.313 1.00 42.10 H new ATOM 0 HE2 TYR A 29 2.762 -3.777 9.816 1.00 62.33 H new ATOM 0 HH TYR A 29 1.759 -1.144 7.644 1.00 11.23 H new ATOM 481 N GLU A 30 9.509 -3.900 5.369 1.00 65.14 N ATOM 482 CA GLU A 30 9.984 -3.679 3.991 1.00 34.34 C ATOM 483 C GLU A 30 9.468 -4.823 3.053 1.00 53.10 C ATOM 484 O GLU A 30 8.942 -5.823 3.571 1.00 35.12 O ATOM 485 CB GLU A 30 11.543 -3.561 3.998 1.00 10.31 C ATOM 486 CG GLU A 30 12.105 -2.381 4.829 1.00 24.53 C ATOM 487 CD GLU A 30 11.629 -0.971 4.396 1.00 74.35 C ATOM 488 OE1 GLU A 30 11.333 -0.756 3.205 1.00 32.32 O ATOM 489 OE2 GLU A 30 11.591 -0.066 5.253 1.00 31.21 O ATOM 0 H GLU A 30 10.236 -4.218 6.010 1.00 65.14 H new ATOM 0 HA GLU A 30 9.583 -2.746 3.596 1.00 34.34 H new ATOM 0 HB2 GLU A 30 11.961 -4.490 4.385 1.00 10.31 H new ATOM 0 HB3 GLU A 30 11.890 -3.459 2.970 1.00 10.31 H new ATOM 0 HG2 GLU A 30 11.831 -2.533 5.873 1.00 24.53 H new ATOM 0 HG3 GLU A 30 13.193 -2.409 4.777 1.00 24.53 H new ATOM 496 N PRO A 31 9.582 -4.722 1.668 1.00 61.10 N ATOM 497 CA PRO A 31 8.955 -5.719 0.758 1.00 33.33 C ATOM 498 C PRO A 31 9.571 -7.124 0.920 1.00 61.50 C ATOM 499 O PRO A 31 8.869 -8.134 0.792 1.00 2.24 O ATOM 500 CB PRO A 31 9.182 -5.128 -0.658 1.00 63.13 C ATOM 501 CG PRO A 31 10.380 -4.245 -0.525 1.00 43.43 C ATOM 502 CD PRO A 31 10.320 -3.684 0.881 1.00 43.11 C ATOM 0 HA PRO A 31 7.897 -5.872 0.973 1.00 33.33 H new ATOM 0 HB2 PRO A 31 9.353 -5.916 -1.391 1.00 63.13 H new ATOM 0 HB3 PRO A 31 8.312 -4.564 -0.994 1.00 63.13 H new ATOM 0 HG2 PRO A 31 11.300 -4.807 -0.684 1.00 43.43 H new ATOM 0 HG3 PRO A 31 10.362 -3.446 -1.267 1.00 43.43 H new ATOM 0 HD2 PRO A 31 11.319 -3.516 1.284 1.00 43.11 H new ATOM 0 HD3 PRO A 31 9.802 -2.725 0.904 1.00 43.11 H new ATOM 510 N ASP A 32 10.884 -7.173 1.207 1.00 13.33 N ATOM 511 CA ASP A 32 11.578 -8.413 1.587 1.00 22.43 C ATOM 512 C ASP A 32 11.837 -8.379 3.109 1.00 23.23 C ATOM 513 O ASP A 32 12.982 -8.310 3.583 1.00 24.31 O ATOM 514 CB ASP A 32 12.875 -8.573 0.758 1.00 73.34 C ATOM 515 CG ASP A 32 13.477 -9.983 0.843 1.00 42.14 C ATOM 516 OD1 ASP A 32 13.073 -10.849 0.039 1.00 42.24 O ATOM 517 OD2 ASP A 32 14.350 -10.235 1.703 1.00 12.10 O ATOM 0 H ASP A 32 11.492 -6.354 1.182 1.00 13.33 H new ATOM 0 HA ASP A 32 10.965 -9.287 1.367 1.00 22.43 H new ATOM 0 HB2 ASP A 32 12.663 -8.338 -0.285 1.00 73.34 H new ATOM 0 HB3 ASP A 32 13.612 -7.849 1.105 1.00 73.34 H new ATOM 522 N SER A 33 10.723 -8.343 3.852 1.00 44.21 N ATOM 523 CA SER A 33 10.695 -8.378 5.325 1.00 21.22 C ATOM 524 C SER A 33 9.306 -8.855 5.786 1.00 51.30 C ATOM 525 O SER A 33 8.346 -8.780 5.009 1.00 12.22 O ATOM 526 CB SER A 33 11.040 -6.992 5.910 1.00 22.31 C ATOM 527 OG SER A 33 11.054 -7.009 7.328 1.00 4.33 O ATOM 0 H SER A 33 9.792 -8.287 3.438 1.00 44.21 H new ATOM 0 HA SER A 33 11.448 -9.076 5.691 1.00 21.22 H new ATOM 0 HB2 SER A 33 12.015 -6.674 5.540 1.00 22.31 H new ATOM 0 HB3 SER A 33 10.312 -6.259 5.562 1.00 22.31 H new ATOM 0 HG SER A 33 11.278 -6.116 7.664 1.00 4.33 H new ATOM 533 N VAL A 34 9.209 -9.303 7.065 1.00 62.02 N ATOM 534 CA VAL A 34 8.080 -10.129 7.572 1.00 31.42 C ATOM 535 C VAL A 34 8.068 -11.476 6.818 1.00 4.14 C ATOM 536 O VAL A 34 7.888 -11.503 5.593 1.00 32.41 O ATOM 537 CB VAL A 34 6.671 -9.397 7.509 1.00 15.21 C ATOM 538 CG1 VAL A 34 5.478 -10.363 7.763 1.00 54.32 C ATOM 539 CG2 VAL A 34 6.635 -8.226 8.518 1.00 23.13 C ATOM 0 H VAL A 34 9.913 -9.101 7.775 1.00 62.02 H new ATOM 0 HA VAL A 34 8.246 -10.304 8.635 1.00 31.42 H new ATOM 0 HB VAL A 34 6.556 -9.013 6.495 1.00 15.21 H new ATOM 0 HG11 VAL A 34 4.542 -9.807 7.708 1.00 54.32 H new ATOM 0 HG12 VAL A 34 5.479 -11.149 7.008 1.00 54.32 H new ATOM 0 HG13 VAL A 34 5.576 -10.811 8.752 1.00 54.32 H new ATOM 0 HG21 VAL A 34 5.665 -7.731 8.467 1.00 23.13 H new ATOM 0 HG22 VAL A 34 6.794 -8.609 9.526 1.00 23.13 H new ATOM 0 HG23 VAL A 34 7.421 -7.511 8.274 1.00 23.13 H new ATOM 549 N LEU A 35 8.240 -12.583 7.582 1.00 2.13 N ATOM 550 CA LEU A 35 8.562 -13.924 7.050 1.00 24.12 C ATOM 551 C LEU A 35 7.614 -14.351 5.898 1.00 74.03 C ATOM 552 O LEU A 35 6.387 -14.279 6.060 1.00 43.22 O ATOM 553 CB LEU A 35 8.576 -14.979 8.196 1.00 74.11 C ATOM 554 CG LEU A 35 9.887 -15.033 9.056 1.00 14.34 C ATOM 555 CD1 LEU A 35 10.180 -13.697 9.793 1.00 44.43 C ATOM 556 CD2 LEU A 35 9.854 -16.226 10.032 1.00 13.13 C ATOM 0 H LEU A 35 8.157 -12.566 8.598 1.00 2.13 H new ATOM 0 HA LEU A 35 9.562 -13.869 6.619 1.00 24.12 H new ATOM 0 HB2 LEU A 35 7.736 -14.778 8.860 1.00 74.11 H new ATOM 0 HB3 LEU A 35 8.409 -15.964 7.760 1.00 74.11 H new ATOM 0 HG LEU A 35 10.715 -15.182 8.363 1.00 14.34 H new ATOM 0 HD11 LEU A 35 11.099 -13.794 10.372 1.00 44.43 H new ATOM 0 HD12 LEU A 35 10.294 -12.896 9.063 1.00 44.43 H new ATOM 0 HD13 LEU A 35 9.353 -13.462 10.463 1.00 44.43 H new ATOM 0 HD21 LEU A 35 10.773 -16.243 10.617 1.00 13.13 H new ATOM 0 HD22 LEU A 35 9.000 -16.125 10.701 1.00 13.13 H new ATOM 0 HD23 LEU A 35 9.766 -17.155 9.468 1.00 13.13 H new ATOM 568 N PRO A 36 8.201 -14.778 4.721 1.00 44.42 N ATOM 569 CA PRO A 36 7.477 -14.927 3.422 1.00 24.10 C ATOM 570 C PRO A 36 6.187 -15.773 3.501 1.00 40.53 C ATOM 571 O PRO A 36 6.227 -16.983 3.765 1.00 61.34 O ATOM 572 CB PRO A 36 8.538 -15.579 2.492 1.00 4.41 C ATOM 573 CG PRO A 36 9.845 -15.126 3.063 1.00 23.44 C ATOM 574 CD PRO A 36 9.640 -15.155 4.559 1.00 41.51 C ATOM 0 HA PRO A 36 7.109 -13.965 3.065 1.00 24.10 H new ATOM 0 HB2 PRO A 36 8.457 -16.666 2.494 1.00 4.41 H new ATOM 0 HB3 PRO A 36 8.419 -15.252 1.459 1.00 4.41 H new ATOM 0 HG2 PRO A 36 10.659 -15.786 2.762 1.00 23.44 H new ATOM 0 HG3 PRO A 36 10.102 -14.125 2.718 1.00 23.44 H new ATOM 0 HD2 PRO A 36 9.846 -16.142 4.973 1.00 41.51 H new ATOM 0 HD3 PRO A 36 10.299 -14.452 5.068 1.00 41.51 H new ATOM 582 N LEU A 37 5.055 -15.090 3.264 1.00 11.22 N ATOM 583 CA LEU A 37 3.711 -15.673 3.267 1.00 72.14 C ATOM 584 C LEU A 37 3.484 -16.490 1.974 1.00 72.44 C ATOM 585 O LEU A 37 3.037 -15.931 0.964 1.00 4.24 O ATOM 586 CB LEU A 37 2.670 -14.518 3.389 1.00 11.34 C ATOM 587 CG LEU A 37 2.817 -13.583 4.635 1.00 34.23 C ATOM 588 CD1 LEU A 37 1.783 -12.431 4.590 1.00 24.01 C ATOM 589 CD2 LEU A 37 2.721 -14.391 5.956 1.00 11.15 C ATOM 0 H LEU A 37 5.054 -14.091 3.060 1.00 11.22 H new ATOM 0 HA LEU A 37 3.596 -16.352 4.112 1.00 72.14 H new ATOM 0 HB2 LEU A 37 2.733 -13.904 2.491 1.00 11.34 H new ATOM 0 HB3 LEU A 37 1.672 -14.957 3.406 1.00 11.34 H new ATOM 0 HG LEU A 37 3.809 -13.132 4.604 1.00 34.23 H new ATOM 0 HD11 LEU A 37 1.907 -11.796 5.467 1.00 24.01 H new ATOM 0 HD12 LEU A 37 1.938 -11.838 3.688 1.00 24.01 H new ATOM 0 HD13 LEU A 37 0.775 -12.847 4.582 1.00 24.01 H new ATOM 0 HD21 LEU A 37 2.827 -13.715 6.804 1.00 11.15 H new ATOM 0 HD22 LEU A 37 1.753 -14.890 6.008 1.00 11.15 H new ATOM 0 HD23 LEU A 37 3.516 -15.137 5.985 1.00 11.15 H new ATOM 601 N ALA A 38 3.892 -17.784 1.995 1.00 75.14 N ATOM 602 CA ALA A 38 3.767 -18.733 0.852 1.00 55.01 C ATOM 603 C ALA A 38 4.693 -18.364 -0.336 1.00 24.22 C ATOM 604 O ALA A 38 4.789 -17.192 -0.718 1.00 63.12 O ATOM 605 CB ALA A 38 2.298 -18.857 0.377 1.00 4.33 C ATOM 0 H ALA A 38 4.324 -18.207 2.817 1.00 75.14 H new ATOM 0 HA ALA A 38 4.094 -19.703 1.226 1.00 55.01 H new ATOM 0 HB1 ALA A 38 2.243 -19.556 -0.457 1.00 4.33 H new ATOM 0 HB2 ALA A 38 1.680 -19.221 1.197 1.00 4.33 H new ATOM 0 HB3 ALA A 38 1.936 -17.880 0.056 1.00 4.33 H new ATOM 611 N ASP A 39 5.369 -19.380 -0.919 1.00 12.21 N ATOM 612 CA ASP A 39 6.220 -19.203 -2.114 1.00 52.01 C ATOM 613 C ASP A 39 5.389 -18.678 -3.298 1.00 71.55 C ATOM 614 O ASP A 39 4.663 -19.435 -3.948 1.00 23.11 O ATOM 615 CB ASP A 39 6.937 -20.517 -2.531 1.00 53.31 C ATOM 616 CG ASP A 39 8.109 -20.910 -1.620 1.00 12.45 C ATOM 617 OD1 ASP A 39 8.881 -20.016 -1.208 1.00 1.23 O ATOM 618 OD2 ASP A 39 8.310 -22.116 -1.360 1.00 52.33 O ATOM 0 H ASP A 39 5.339 -20.340 -0.575 1.00 12.21 H new ATOM 0 HA ASP A 39 6.985 -18.474 -1.846 1.00 52.01 H new ATOM 0 HB2 ASP A 39 6.209 -21.328 -2.539 1.00 53.31 H new ATOM 0 HB3 ASP A 39 7.305 -20.409 -3.551 1.00 53.31 H new ATOM 623 N GLY A 40 5.477 -17.357 -3.542 1.00 52.31 N ATOM 624 CA GLY A 40 4.811 -16.717 -4.664 1.00 3.32 C ATOM 625 C GLY A 40 3.794 -15.668 -4.206 1.00 32.31 C ATOM 626 O GLY A 40 4.184 -14.681 -3.578 1.00 14.45 O ATOM 0 H GLY A 40 6.014 -16.714 -2.960 1.00 52.31 H new ATOM 0 HA2 GLY A 40 5.555 -16.245 -5.305 1.00 3.32 H new ATOM 0 HA3 GLY A 40 4.306 -17.473 -5.265 1.00 3.32 H new ATOM 630 N VAL A 41 2.488 -15.950 -4.447 1.00 1.43 N ATOM 631 CA VAL A 41 1.394 -14.943 -4.488 1.00 61.35 C ATOM 632 C VAL A 41 1.370 -13.931 -3.300 1.00 33.14 C ATOM 633 O VAL A 41 1.502 -12.732 -3.540 1.00 4.13 O ATOM 634 CB VAL A 41 -0.003 -15.655 -4.636 1.00 2.31 C ATOM 635 CG1 VAL A 41 -0.297 -16.663 -3.467 1.00 32.03 C ATOM 636 CG2 VAL A 41 -1.174 -14.641 -4.786 1.00 11.34 C ATOM 0 H VAL A 41 2.159 -16.900 -4.621 1.00 1.43 H new ATOM 0 HA VAL A 41 1.605 -14.335 -5.367 1.00 61.35 H new ATOM 0 HB VAL A 41 0.062 -16.230 -5.559 1.00 2.31 H new ATOM 0 HG11 VAL A 41 -1.273 -17.124 -3.621 1.00 32.03 H new ATOM 0 HG12 VAL A 41 0.471 -17.436 -3.451 1.00 32.03 H new ATOM 0 HG13 VAL A 41 -0.294 -16.129 -2.517 1.00 32.03 H new ATOM 0 HG21 VAL A 41 -2.114 -15.183 -4.885 1.00 11.34 H new ATOM 0 HG22 VAL A 41 -1.215 -14.000 -3.905 1.00 11.34 H new ATOM 0 HG23 VAL A 41 -1.014 -14.029 -5.673 1.00 11.34 H new ATOM 646 N LEU A 42 1.260 -14.385 -2.063 1.00 31.54 N ATOM 647 CA LEU A 42 0.972 -13.500 -0.916 1.00 43.05 C ATOM 648 C LEU A 42 2.226 -12.722 -0.476 1.00 62.01 C ATOM 649 O LEU A 42 2.133 -11.537 -0.105 1.00 24.40 O ATOM 650 CB LEU A 42 0.383 -14.360 0.220 1.00 0.10 C ATOM 651 CG LEU A 42 -1.012 -15.001 -0.103 1.00 13.40 C ATOM 652 CD1 LEU A 42 -1.354 -16.179 0.844 1.00 1.33 C ATOM 653 CD2 LEU A 42 -2.133 -13.935 -0.110 1.00 23.41 C ATOM 0 H LEU A 42 1.365 -15.368 -1.813 1.00 31.54 H new ATOM 0 HA LEU A 42 0.243 -12.742 -1.202 1.00 43.05 H new ATOM 0 HB2 LEU A 42 1.088 -15.157 0.458 1.00 0.10 H new ATOM 0 HB3 LEU A 42 0.287 -13.742 1.113 1.00 0.10 H new ATOM 0 HG LEU A 42 -0.943 -15.418 -1.108 1.00 13.40 H new ATOM 0 HD11 LEU A 42 -2.329 -16.588 0.579 1.00 1.33 H new ATOM 0 HD12 LEU A 42 -0.596 -16.956 0.746 1.00 1.33 H new ATOM 0 HD13 LEU A 42 -1.378 -15.823 1.874 1.00 1.33 H new ATOM 0 HD21 LEU A 42 -3.087 -14.411 -0.337 1.00 23.41 H new ATOM 0 HD22 LEU A 42 -2.189 -13.459 0.869 1.00 23.41 H new ATOM 0 HD23 LEU A 42 -1.914 -13.182 -0.867 1.00 23.41 H new ATOM 665 N SER A 43 3.387 -13.387 -0.558 1.00 32.23 N ATOM 666 CA SER A 43 4.699 -12.729 -0.399 1.00 22.24 C ATOM 667 C SER A 43 4.894 -11.640 -1.468 1.00 72.35 C ATOM 668 O SER A 43 5.428 -10.561 -1.190 1.00 41.44 O ATOM 669 CB SER A 43 5.851 -13.756 -0.506 1.00 3.40 C ATOM 670 OG SER A 43 5.716 -14.778 0.454 1.00 44.32 O ATOM 0 H SER A 43 3.447 -14.390 -0.735 1.00 32.23 H new ATOM 0 HA SER A 43 4.719 -12.273 0.591 1.00 22.24 H new ATOM 0 HB2 SER A 43 5.861 -14.192 -1.505 1.00 3.40 H new ATOM 0 HB3 SER A 43 6.806 -13.250 -0.369 1.00 3.40 H new ATOM 0 HG SER A 43 5.394 -15.595 0.019 1.00 44.32 H new ATOM 676 N PHE A 44 4.402 -11.948 -2.686 1.00 42.50 N ATOM 677 CA PHE A 44 4.535 -11.080 -3.861 1.00 50.52 C ATOM 678 C PHE A 44 3.626 -9.858 -3.714 1.00 31.45 C ATOM 679 O PHE A 44 4.040 -8.760 -4.046 1.00 71.02 O ATOM 680 CB PHE A 44 4.215 -11.863 -5.158 1.00 74.04 C ATOM 681 CG PHE A 44 4.672 -11.172 -6.440 1.00 62.23 C ATOM 682 CD1 PHE A 44 6.002 -11.266 -6.850 1.00 13.33 C ATOM 683 CD2 PHE A 44 3.787 -10.436 -7.236 1.00 60.32 C ATOM 684 CE1 PHE A 44 6.433 -10.653 -8.010 1.00 22.52 C ATOM 685 CE2 PHE A 44 4.224 -9.825 -8.396 1.00 55.14 C ATOM 686 CZ PHE A 44 5.545 -9.934 -8.782 1.00 54.20 C ATOM 0 H PHE A 44 3.898 -12.814 -2.877 1.00 42.50 H new ATOM 0 HA PHE A 44 5.566 -10.734 -3.930 1.00 50.52 H new ATOM 0 HB2 PHE A 44 4.686 -12.845 -5.101 1.00 74.04 H new ATOM 0 HB3 PHE A 44 3.139 -12.028 -5.212 1.00 74.04 H new ATOM 0 HD1 PHE A 44 6.705 -11.826 -6.251 1.00 13.33 H new ATOM 0 HD2 PHE A 44 2.752 -10.345 -6.941 1.00 60.32 H new ATOM 0 HE1 PHE A 44 7.466 -10.737 -8.313 1.00 22.52 H new ATOM 0 HE2 PHE A 44 3.530 -9.261 -9.002 1.00 55.14 H new ATOM 0 HZ PHE A 44 5.883 -9.456 -9.689 1.00 54.20 H new ATOM 696 N ILE A 45 2.388 -10.053 -3.198 1.00 70.34 N ATOM 697 CA ILE A 45 1.450 -8.938 -2.987 1.00 75.03 C ATOM 698 C ILE A 45 2.001 -8.021 -1.875 1.00 54.30 C ATOM 699 O ILE A 45 1.952 -6.810 -2.023 1.00 72.21 O ATOM 700 CB ILE A 45 -0.030 -9.375 -2.626 1.00 73.11 C ATOM 701 CG1 ILE A 45 -0.610 -10.398 -3.642 1.00 54.53 C ATOM 702 CG2 ILE A 45 -0.951 -8.130 -2.534 1.00 74.25 C ATOM 703 CD1 ILE A 45 -0.693 -9.917 -5.076 1.00 44.31 C ATOM 0 H ILE A 45 2.024 -10.966 -2.924 1.00 70.34 H new ATOM 0 HA ILE A 45 1.378 -8.418 -3.942 1.00 75.03 H new ATOM 0 HB ILE A 45 0.009 -9.871 -1.656 1.00 73.11 H new ATOM 0 HG12 ILE A 45 0.003 -11.299 -3.614 1.00 54.53 H new ATOM 0 HG13 ILE A 45 -1.610 -10.683 -3.314 1.00 54.53 H new ATOM 0 HG21 ILE A 45 -1.965 -8.445 -2.285 1.00 74.25 H new ATOM 0 HG22 ILE A 45 -0.579 -7.459 -1.760 1.00 74.25 H new ATOM 0 HG23 ILE A 45 -0.957 -7.610 -3.492 1.00 74.25 H new ATOM 0 HD11 ILE A 45 -1.111 -10.706 -5.701 1.00 44.31 H new ATOM 0 HD12 ILE A 45 -1.333 -9.036 -5.128 1.00 44.31 H new ATOM 0 HD13 ILE A 45 0.305 -9.662 -5.433 1.00 44.31 H new ATOM 715 N HIS A 46 2.549 -8.612 -0.781 1.00 74.40 N ATOM 716 CA HIS A 46 3.272 -7.837 0.271 1.00 62.13 C ATOM 717 C HIS A 46 4.434 -7.020 -0.351 1.00 34.31 C ATOM 718 O HIS A 46 4.635 -5.832 -0.023 1.00 35.14 O ATOM 719 CB HIS A 46 3.816 -8.782 1.383 1.00 73.22 C ATOM 720 CG HIS A 46 4.774 -8.127 2.371 1.00 21.21 C ATOM 721 ND1 HIS A 46 4.391 -7.153 3.266 1.00 50.21 N ATOM 722 CD2 HIS A 46 6.114 -8.281 2.557 1.00 50.14 C ATOM 723 CE1 HIS A 46 5.439 -6.733 3.949 1.00 3.10 C ATOM 724 NE2 HIS A 46 6.491 -7.397 3.538 1.00 63.32 N ATOM 0 H HIS A 46 2.506 -9.615 -0.602 1.00 74.40 H new ATOM 0 HA HIS A 46 2.562 -7.145 0.724 1.00 62.13 H new ATOM 0 HB2 HIS A 46 2.971 -9.192 1.936 1.00 73.22 H new ATOM 0 HB3 HIS A 46 4.324 -9.622 0.909 1.00 73.22 H new ATOM 0 HD2 HIS A 46 6.759 -8.969 2.032 1.00 50.14 H new ATOM 0 HE1 HIS A 46 5.431 -5.972 4.716 1.00 3.10 H new ATOM 0 HE2 HIS A 46 7.440 -7.276 3.891 1.00 63.32 H new ATOM 733 N HIS A 47 5.166 -7.682 -1.266 1.00 52.34 N ATOM 734 CA HIS A 47 6.302 -7.088 -1.997 1.00 4.24 C ATOM 735 C HIS A 47 5.809 -5.879 -2.827 1.00 43.55 C ATOM 736 O HIS A 47 6.452 -4.826 -2.843 1.00 72.35 O ATOM 737 CB HIS A 47 6.987 -8.167 -2.917 1.00 4.05 C ATOM 738 CG HIS A 47 8.495 -8.230 -2.836 1.00 45.21 C ATOM 739 ND1 HIS A 47 9.335 -7.349 -3.489 1.00 11.45 N ATOM 740 CD2 HIS A 47 9.311 -9.102 -2.188 1.00 32.31 C ATOM 741 CE1 HIS A 47 10.593 -7.671 -3.239 1.00 31.11 C ATOM 742 NE2 HIS A 47 10.605 -8.731 -2.451 1.00 54.23 N ATOM 0 H HIS A 47 4.984 -8.653 -1.521 1.00 52.34 H new ATOM 0 HA HIS A 47 7.048 -6.738 -1.283 1.00 4.24 H new ATOM 0 HB2 HIS A 47 6.586 -9.147 -2.658 1.00 4.05 H new ATOM 0 HB3 HIS A 47 6.704 -7.969 -3.951 1.00 4.05 H new ATOM 0 HD2 HIS A 47 8.998 -9.936 -1.577 1.00 32.31 H new ATOM 0 HE1 HIS A 47 11.464 -7.155 -3.616 1.00 31.11 H new ATOM 0 HE2 HIS A 47 11.440 -9.197 -2.096 1.00 54.23 H new ATOM 751 N GLN A 48 4.632 -6.044 -3.474 1.00 52.34 N ATOM 752 CA GLN A 48 4.005 -5.000 -4.312 1.00 53.34 C ATOM 753 C GLN A 48 3.411 -3.867 -3.460 1.00 64.44 C ATOM 754 O GLN A 48 3.398 -2.725 -3.889 1.00 52.35 O ATOM 755 CB GLN A 48 2.896 -5.581 -5.228 1.00 23.12 C ATOM 756 CG GLN A 48 3.345 -6.691 -6.196 1.00 31.43 C ATOM 757 CD GLN A 48 4.583 -6.333 -7.016 1.00 1.53 C ATOM 758 OE1 GLN A 48 5.721 -6.633 -6.636 1.00 70.22 O ATOM 759 NE2 GLN A 48 4.366 -5.685 -8.139 1.00 22.10 N ATOM 0 H GLN A 48 4.091 -6.907 -3.428 1.00 52.34 H new ATOM 0 HA GLN A 48 4.802 -4.596 -4.936 1.00 53.34 H new ATOM 0 HB2 GLN A 48 2.098 -5.974 -4.598 1.00 23.12 H new ATOM 0 HB3 GLN A 48 2.468 -4.766 -5.812 1.00 23.12 H new ATOM 0 HG2 GLN A 48 3.549 -7.597 -5.625 1.00 31.43 H new ATOM 0 HG3 GLN A 48 2.525 -6.920 -6.876 1.00 31.43 H new ATOM 0 HE21 GLN A 48 3.413 -5.455 -8.419 1.00 22.10 H new ATOM 0 HE22 GLN A 48 5.151 -5.412 -8.730 1.00 22.10 H new ATOM 768 N ILE A 49 2.918 -4.206 -2.260 1.00 63.42 N ATOM 769 CA ILE A 49 2.307 -3.242 -1.323 1.00 15.15 C ATOM 770 C ILE A 49 3.371 -2.266 -0.820 1.00 15.14 C ATOM 771 O ILE A 49 3.152 -1.049 -0.819 1.00 22.15 O ATOM 772 CB ILE A 49 1.607 -3.991 -0.118 1.00 12.42 C ATOM 773 CG1 ILE A 49 0.250 -4.624 -0.589 1.00 63.32 C ATOM 774 CG2 ILE A 49 1.388 -3.075 1.118 1.00 1.42 C ATOM 775 CD1 ILE A 49 -0.324 -5.652 0.363 1.00 1.33 C ATOM 0 H ILE A 49 2.930 -5.163 -1.907 1.00 63.42 H new ATOM 0 HA ILE A 49 1.537 -2.679 -1.850 1.00 15.15 H new ATOM 0 HB ILE A 49 2.283 -4.784 0.202 1.00 12.42 H new ATOM 0 HG12 ILE A 49 -0.480 -3.827 -0.727 1.00 63.32 H new ATOM 0 HG13 ILE A 49 0.399 -5.091 -1.562 1.00 63.32 H new ATOM 0 HG21 ILE A 49 0.904 -3.644 1.912 1.00 1.42 H new ATOM 0 HG22 ILE A 49 2.350 -2.705 1.472 1.00 1.42 H new ATOM 0 HG23 ILE A 49 0.755 -2.232 0.839 1.00 1.42 H new ATOM 0 HD11 ILE A 49 -1.261 -6.038 -0.040 1.00 1.33 H new ATOM 0 HD12 ILE A 49 0.384 -6.472 0.483 1.00 1.33 H new ATOM 0 HD13 ILE A 49 -0.509 -5.188 1.332 1.00 1.33 H new ATOM 787 N ILE A 50 4.533 -2.802 -0.413 1.00 5.42 N ATOM 788 CA ILE A 50 5.634 -1.956 0.075 1.00 15.42 C ATOM 789 C ILE A 50 6.423 -1.347 -1.113 1.00 4.12 C ATOM 790 O ILE A 50 7.103 -0.332 -0.950 1.00 15.10 O ATOM 791 CB ILE A 50 6.563 -2.707 1.088 1.00 51.53 C ATOM 792 CG1 ILE A 50 5.703 -3.482 2.148 1.00 21.21 C ATOM 793 CG2 ILE A 50 7.532 -1.718 1.793 1.00 43.54 C ATOM 794 CD1 ILE A 50 4.801 -2.608 3.031 1.00 45.22 C ATOM 0 H ILE A 50 4.733 -3.802 -0.412 1.00 5.42 H new ATOM 0 HA ILE A 50 5.193 -1.132 0.636 1.00 15.42 H new ATOM 0 HB ILE A 50 7.162 -3.427 0.530 1.00 51.53 H new ATOM 0 HG12 ILE A 50 5.079 -4.206 1.625 1.00 21.21 H new ATOM 0 HG13 ILE A 50 6.375 -4.048 2.793 1.00 21.21 H new ATOM 0 HG21 ILE A 50 8.166 -2.265 2.491 1.00 43.54 H new ATOM 0 HG22 ILE A 50 8.155 -1.225 1.047 1.00 43.54 H new ATOM 0 HG23 ILE A 50 6.956 -0.969 2.336 1.00 43.54 H new ATOM 0 HD11 ILE A 50 4.251 -3.241 3.728 1.00 45.22 H new ATOM 0 HD12 ILE A 50 5.414 -1.901 3.590 1.00 45.22 H new ATOM 0 HD13 ILE A 50 4.097 -2.061 2.404 1.00 45.22 H new ATOM 806 N GLU A 51 6.297 -1.953 -2.319 1.00 23.12 N ATOM 807 CA GLU A 51 6.738 -1.308 -3.580 1.00 53.52 C ATOM 808 C GLU A 51 5.966 0.020 -3.776 1.00 22.21 C ATOM 809 O GLU A 51 6.575 1.092 -3.923 1.00 41.32 O ATOM 810 CB GLU A 51 6.488 -2.246 -4.794 1.00 34.14 C ATOM 811 CG GLU A 51 7.022 -1.752 -6.160 1.00 22.01 C ATOM 812 CD GLU A 51 8.556 -1.851 -6.299 1.00 54.32 C ATOM 813 OE1 GLU A 51 9.274 -0.888 -5.929 1.00 51.41 O ATOM 814 OE2 GLU A 51 9.053 -2.906 -6.770 1.00 64.35 O ATOM 0 H GLU A 51 5.896 -2.882 -2.445 1.00 23.12 H new ATOM 0 HA GLU A 51 7.807 -1.106 -3.516 1.00 53.52 H new ATOM 0 HB2 GLU A 51 6.941 -3.214 -4.578 1.00 34.14 H new ATOM 0 HB3 GLU A 51 5.414 -2.410 -4.885 1.00 34.14 H new ATOM 0 HG2 GLU A 51 6.556 -2.334 -6.955 1.00 22.01 H new ATOM 0 HG3 GLU A 51 6.719 -0.715 -6.305 1.00 22.01 H new ATOM 821 N LEU A 52 4.609 -0.083 -3.715 1.00 64.52 N ATOM 822 CA LEU A 52 3.684 1.067 -3.820 1.00 34.55 C ATOM 823 C LEU A 52 3.961 2.067 -2.696 1.00 61.35 C ATOM 824 O LEU A 52 3.945 3.272 -2.919 1.00 2.15 O ATOM 825 CB LEU A 52 2.186 0.636 -3.712 1.00 30.20 C ATOM 826 CG LEU A 52 1.627 -0.324 -4.803 1.00 54.45 C ATOM 827 CD1 LEU A 52 0.132 -0.649 -4.530 1.00 64.40 C ATOM 828 CD2 LEU A 52 1.855 0.250 -6.226 1.00 23.05 C ATOM 0 H LEU A 52 4.130 -0.975 -3.591 1.00 64.52 H new ATOM 0 HA LEU A 52 3.855 1.514 -4.799 1.00 34.55 H new ATOM 0 HB2 LEU A 52 2.043 0.160 -2.742 1.00 30.20 H new ATOM 0 HB3 LEU A 52 1.576 1.539 -3.716 1.00 30.20 H new ATOM 0 HG LEU A 52 2.178 -1.263 -4.754 1.00 54.45 H new ATOM 0 HD11 LEU A 52 -0.241 -1.321 -5.303 1.00 64.40 H new ATOM 0 HD12 LEU A 52 0.036 -1.128 -3.555 1.00 64.40 H new ATOM 0 HD13 LEU A 52 -0.449 0.273 -4.540 1.00 64.40 H new ATOM 0 HD21 LEU A 52 1.454 -0.443 -6.966 1.00 23.05 H new ATOM 0 HD22 LEU A 52 1.348 1.211 -6.316 1.00 23.05 H new ATOM 0 HD23 LEU A 52 2.923 0.386 -6.397 1.00 23.05 H new ATOM 840 N ALA A 53 4.207 1.525 -1.488 1.00 44.24 N ATOM 841 CA ALA A 53 4.440 2.323 -0.282 1.00 61.43 C ATOM 842 C ALA A 53 5.655 3.244 -0.477 1.00 31.42 C ATOM 843 O ALA A 53 5.500 4.454 -0.464 1.00 12.20 O ATOM 844 CB ALA A 53 4.614 1.420 0.949 1.00 72.14 C ATOM 0 H ALA A 53 4.249 0.519 -1.327 1.00 44.24 H new ATOM 0 HA ALA A 53 3.565 2.949 -0.107 1.00 61.43 H new ATOM 0 HB1 ALA A 53 4.786 2.037 1.831 1.00 72.14 H new ATOM 0 HB2 ALA A 53 3.713 0.823 1.093 1.00 72.14 H new ATOM 0 HB3 ALA A 53 5.467 0.758 0.797 1.00 72.14 H new ATOM 850 N ARG A 54 6.831 2.647 -0.758 1.00 70.31 N ATOM 851 CA ARG A 54 8.097 3.392 -0.990 1.00 14.53 C ATOM 852 C ARG A 54 7.969 4.409 -2.151 1.00 34.32 C ATOM 853 O ARG A 54 8.277 5.605 -1.998 1.00 62.14 O ATOM 854 CB ARG A 54 9.230 2.407 -1.349 1.00 51.33 C ATOM 855 CG ARG A 54 9.688 1.459 -0.230 1.00 34.13 C ATOM 856 CD ARG A 54 10.703 0.425 -0.764 1.00 30.42 C ATOM 857 NE ARG A 54 11.441 -0.267 0.303 1.00 54.02 N ATOM 858 CZ ARG A 54 12.570 -0.982 0.124 1.00 64.11 C ATOM 859 NH1 ARG A 54 13.116 -1.128 -1.086 1.00 53.22 N ATOM 860 NH2 ARG A 54 13.139 -1.559 1.167 1.00 24.43 N ATOM 0 H ARG A 54 6.936 1.635 -0.832 1.00 70.31 H new ATOM 0 HA ARG A 54 8.320 3.930 -0.069 1.00 14.53 H new ATOM 0 HB2 ARG A 54 8.903 1.804 -2.196 1.00 51.33 H new ATOM 0 HB3 ARG A 54 10.092 2.984 -1.683 1.00 51.33 H new ATOM 0 HG2 ARG A 54 10.140 2.035 0.577 1.00 34.13 H new ATOM 0 HG3 ARG A 54 8.825 0.943 0.191 1.00 34.13 H new ATOM 0 HD2 ARG A 54 10.176 -0.312 -1.370 1.00 30.42 H new ATOM 0 HD3 ARG A 54 11.413 0.928 -1.421 1.00 30.42 H new ATOM 0 HE ARG A 54 11.071 -0.201 1.251 1.00 54.02 H new ATOM 0 HH11 ARG A 54 12.678 -0.694 -1.899 1.00 53.22 H new ATOM 0 HH12 ARG A 54 13.971 -1.674 -1.197 1.00 53.22 H new ATOM 0 HH21 ARG A 54 12.724 -1.461 2.094 1.00 24.43 H new ATOM 0 HH22 ARG A 54 13.993 -2.103 1.046 1.00 24.43 H new ATOM 874 N ASP A 55 7.498 3.889 -3.301 1.00 31.20 N ATOM 875 CA ASP A 55 7.461 4.618 -4.582 1.00 5.12 C ATOM 876 C ASP A 55 6.527 5.845 -4.491 1.00 52.02 C ATOM 877 O ASP A 55 6.957 6.993 -4.697 1.00 32.12 O ATOM 878 CB ASP A 55 7.013 3.642 -5.706 1.00 32.32 C ATOM 879 CG ASP A 55 6.828 4.313 -7.073 1.00 32.41 C ATOM 880 OD1 ASP A 55 7.837 4.554 -7.780 1.00 52.41 O ATOM 881 OD2 ASP A 55 5.672 4.617 -7.445 1.00 34.04 O ATOM 0 H ASP A 55 7.129 2.940 -3.366 1.00 31.20 H new ATOM 0 HA ASP A 55 8.457 4.994 -4.817 1.00 5.12 H new ATOM 0 HB2 ASP A 55 7.753 2.847 -5.799 1.00 32.32 H new ATOM 0 HB3 ASP A 55 6.074 3.172 -5.413 1.00 32.32 H new ATOM 886 N CYS A 56 5.261 5.577 -4.123 1.00 30.03 N ATOM 887 CA CYS A 56 4.212 6.607 -3.984 1.00 62.21 C ATOM 888 C CYS A 56 4.509 7.556 -2.805 1.00 54.52 C ATOM 889 O CYS A 56 4.093 8.716 -2.846 1.00 50.11 O ATOM 890 CB CYS A 56 2.817 5.951 -3.833 1.00 4.43 C ATOM 891 SG CYS A 56 1.431 7.101 -3.671 1.00 5.15 S ATOM 0 H CYS A 56 4.934 4.634 -3.912 1.00 30.03 H new ATOM 0 HA CYS A 56 4.209 7.207 -4.894 1.00 62.21 H new ATOM 0 HB2 CYS A 56 2.639 5.314 -4.699 1.00 4.43 H new ATOM 0 HB3 CYS A 56 2.833 5.302 -2.957 1.00 4.43 H new ATOM 0 HG CYS A 56 0.323 6.431 -3.554 1.00 5.15 H new ATOM 897 N LEU A 57 5.235 7.063 -1.764 1.00 21.30 N ATOM 898 CA LEU A 57 5.742 7.920 -0.663 1.00 74.12 C ATOM 899 C LEU A 57 6.655 9.016 -1.229 1.00 23.40 C ATOM 900 O LEU A 57 6.379 10.199 -1.062 1.00 52.30 O ATOM 901 CB LEU A 57 6.537 7.095 0.390 1.00 13.13 C ATOM 902 CG LEU A 57 7.089 7.870 1.625 1.00 1.45 C ATOM 903 CD1 LEU A 57 5.939 8.499 2.431 1.00 14.24 C ATOM 904 CD2 LEU A 57 7.977 6.955 2.511 1.00 2.14 C ATOM 0 H LEU A 57 5.480 6.078 -1.667 1.00 21.30 H new ATOM 0 HA LEU A 57 4.877 8.365 -0.172 1.00 74.12 H new ATOM 0 HB2 LEU A 57 5.891 6.296 0.753 1.00 13.13 H new ATOM 0 HB3 LEU A 57 7.378 6.620 -0.116 1.00 13.13 H new ATOM 0 HG LEU A 57 7.722 8.680 1.264 1.00 1.45 H new ATOM 0 HD11 LEU A 57 6.346 9.035 3.288 1.00 14.24 H new ATOM 0 HD12 LEU A 57 5.388 9.194 1.797 1.00 14.24 H new ATOM 0 HD13 LEU A 57 5.267 7.714 2.779 1.00 14.24 H new ATOM 0 HD21 LEU A 57 8.347 7.523 3.364 1.00 2.14 H new ATOM 0 HD22 LEU A 57 7.388 6.110 2.866 1.00 2.14 H new ATOM 0 HD23 LEU A 57 8.820 6.589 1.925 1.00 2.14 H new ATOM 916 N THR A 58 7.718 8.589 -1.934 1.00 53.13 N ATOM 917 CA THR A 58 8.735 9.510 -2.484 1.00 33.13 C ATOM 918 C THR A 58 8.128 10.453 -3.556 1.00 50.51 C ATOM 919 O THR A 58 8.514 11.628 -3.660 1.00 12.00 O ATOM 920 CB THR A 58 9.947 8.710 -3.067 1.00 54.45 C ATOM 921 OG1 THR A 58 10.385 7.751 -2.091 1.00 24.23 O ATOM 922 CG2 THR A 58 11.135 9.625 -3.440 1.00 41.42 C ATOM 0 H THR A 58 7.898 7.606 -2.138 1.00 53.13 H new ATOM 0 HA THR A 58 9.096 10.133 -1.666 1.00 33.13 H new ATOM 0 HB THR A 58 9.610 8.219 -3.980 1.00 54.45 H new ATOM 0 HG1 THR A 58 9.759 6.997 -2.069 1.00 24.23 H new ATOM 0 HG21 THR A 58 11.949 9.020 -3.839 1.00 41.42 H new ATOM 0 HG22 THR A 58 10.816 10.347 -4.192 1.00 41.42 H new ATOM 0 HG23 THR A 58 11.479 10.155 -2.552 1.00 41.42 H new ATOM 930 N LYS A 59 7.146 9.924 -4.315 1.00 21.23 N ATOM 931 CA LYS A 59 6.419 10.686 -5.351 1.00 20.51 C ATOM 932 C LYS A 59 5.477 11.758 -4.733 1.00 33.32 C ATOM 933 O LYS A 59 5.348 12.857 -5.280 1.00 73.20 O ATOM 934 CB LYS A 59 5.626 9.719 -6.288 1.00 2.13 C ATOM 935 CG LYS A 59 6.482 8.941 -7.316 1.00 52.30 C ATOM 936 CD LYS A 59 5.636 7.968 -8.180 1.00 3.05 C ATOM 937 CE LYS A 59 6.454 7.287 -9.293 1.00 30.15 C ATOM 938 NZ LYS A 59 5.694 6.191 -9.966 1.00 53.23 N ATOM 0 H LYS A 59 6.835 8.957 -4.227 1.00 21.23 H new ATOM 0 HA LYS A 59 7.161 11.218 -5.947 1.00 20.51 H new ATOM 0 HB2 LYS A 59 5.089 9.000 -5.669 1.00 2.13 H new ATOM 0 HB3 LYS A 59 4.876 10.297 -6.828 1.00 2.13 H new ATOM 0 HG2 LYS A 59 6.994 9.649 -7.968 1.00 52.30 H new ATOM 0 HG3 LYS A 59 7.253 8.378 -6.790 1.00 52.30 H new ATOM 0 HD2 LYS A 59 5.201 7.203 -7.536 1.00 3.05 H new ATOM 0 HD3 LYS A 59 4.807 8.516 -8.629 1.00 3.05 H new ATOM 0 HE2 LYS A 59 6.746 8.032 -10.034 1.00 30.15 H new ATOM 0 HE3 LYS A 59 7.373 6.882 -8.869 1.00 30.15 H new ATOM 0 HZ1 LYS A 59 6.252 5.820 -10.762 1.00 53.23 H new ATOM 0 HZ2 LYS A 59 5.511 5.427 -9.285 1.00 53.23 H new ATOM 0 HZ3 LYS A 59 4.790 6.563 -10.321 1.00 53.23 H new ATOM 952 N SER A 60 4.809 11.430 -3.606 1.00 74.04 N ATOM 953 CA SER A 60 3.882 12.373 -2.916 1.00 52.03 C ATOM 954 C SER A 60 4.659 13.390 -2.057 1.00 43.12 C ATOM 955 O SER A 60 4.200 14.522 -1.843 1.00 12.24 O ATOM 956 CB SER A 60 2.876 11.593 -2.039 1.00 33.55 C ATOM 957 OG SER A 60 3.523 10.908 -0.978 1.00 71.53 O ATOM 0 H SER A 60 4.890 10.521 -3.150 1.00 74.04 H new ATOM 0 HA SER A 60 3.334 12.924 -3.680 1.00 52.03 H new ATOM 0 HB2 SER A 60 2.139 12.284 -1.630 1.00 33.55 H new ATOM 0 HB3 SER A 60 2.334 10.877 -2.657 1.00 33.55 H new ATOM 0 HG SER A 60 4.466 10.769 -1.205 1.00 71.53 H new ATOM 963 N ARG A 61 5.842 12.961 -1.581 1.00 14.44 N ATOM 964 CA ARG A 61 6.747 13.779 -0.748 1.00 32.22 C ATOM 965 C ARG A 61 7.401 14.863 -1.622 1.00 24.34 C ATOM 966 O ARG A 61 7.647 15.980 -1.160 1.00 41.43 O ATOM 967 CB ARG A 61 7.805 12.856 -0.062 1.00 51.32 C ATOM 968 CG ARG A 61 8.649 13.500 1.086 1.00 71.13 C ATOM 969 CD ARG A 61 10.038 13.986 0.644 1.00 41.33 C ATOM 970 NE ARG A 61 10.864 12.874 0.134 1.00 74.22 N ATOM 971 CZ ARG A 61 12.112 12.990 -0.337 1.00 13.23 C ATOM 972 NH1 ARG A 61 12.718 14.172 -0.380 1.00 43.34 N ATOM 973 NH2 ARG A 61 12.743 11.914 -0.785 1.00 24.33 N ATOM 0 H ARG A 61 6.202 12.025 -1.766 1.00 14.44 H new ATOM 0 HA ARG A 61 6.189 14.281 0.042 1.00 32.22 H new ATOM 0 HB2 ARG A 61 7.288 11.985 0.341 1.00 51.32 H new ATOM 0 HB3 ARG A 61 8.490 12.494 -0.828 1.00 51.32 H new ATOM 0 HG2 ARG A 61 8.096 14.343 1.501 1.00 71.13 H new ATOM 0 HG3 ARG A 61 8.769 12.771 1.888 1.00 71.13 H new ATOM 0 HD2 ARG A 61 9.929 14.745 -0.131 1.00 41.33 H new ATOM 0 HD3 ARG A 61 10.544 14.460 1.485 1.00 41.33 H new ATOM 0 HE ARG A 61 10.451 11.942 0.141 1.00 74.22 H new ATOM 0 HH11 ARG A 61 12.232 15.006 -0.051 1.00 43.34 H new ATOM 0 HH12 ARG A 61 13.669 14.245 -0.741 1.00 43.34 H new ATOM 0 HH21 ARG A 61 12.278 11.006 -0.769 1.00 24.33 H new ATOM 0 HH22 ARG A 61 13.694 11.994 -1.146 1.00 24.33 H new ATOM 987 N ASP A 62 7.681 14.510 -2.897 1.00 31.31 N ATOM 988 CA ASP A 62 8.104 15.488 -3.921 1.00 32.25 C ATOM 989 C ASP A 62 6.900 16.357 -4.321 1.00 64.33 C ATOM 990 O ASP A 62 6.999 17.585 -4.399 1.00 1.52 O ATOM 991 CB ASP A 62 8.676 14.775 -5.174 1.00 1.13 C ATOM 992 CG ASP A 62 9.179 15.768 -6.245 1.00 52.11 C ATOM 993 OD1 ASP A 62 10.242 16.395 -6.030 1.00 22.02 O ATOM 994 OD2 ASP A 62 8.507 15.947 -7.284 1.00 1.45 O ATOM 0 H ASP A 62 7.621 13.551 -3.241 1.00 31.31 H new ATOM 0 HA ASP A 62 8.891 16.113 -3.499 1.00 32.25 H new ATOM 0 HB2 ASP A 62 9.497 14.124 -4.874 1.00 1.13 H new ATOM 0 HB3 ASP A 62 7.906 14.138 -5.608 1.00 1.13 H new ATOM 999 N GLY A 63 5.764 15.679 -4.558 1.00 43.13 N ATOM 1000 CA GLY A 63 4.510 16.334 -4.927 1.00 63.01 C ATOM 1001 C GLY A 63 4.180 16.231 -6.407 1.00 75.14 C ATOM 1002 O GLY A 63 3.254 16.909 -6.869 1.00 13.22 O ATOM 0 H GLY A 63 5.695 14.663 -4.498 1.00 43.13 H new ATOM 0 HA2 GLY A 63 3.697 15.893 -4.351 1.00 63.01 H new ATOM 0 HA3 GLY A 63 4.564 17.386 -4.648 1.00 63.01 H new ATOM 1006 N LEU A 64 4.912 15.380 -7.165 1.00 20.45 N ATOM 1007 CA LEU A 64 4.666 15.227 -8.618 1.00 44.21 C ATOM 1008 C LEU A 64 3.600 14.149 -8.920 1.00 74.21 C ATOM 1009 O LEU A 64 3.355 13.830 -10.096 1.00 44.42 O ATOM 1010 CB LEU A 64 5.978 14.967 -9.421 1.00 11.04 C ATOM 1011 CG LEU A 64 6.524 13.499 -9.513 1.00 15.53 C ATOM 1012 CD1 LEU A 64 7.701 13.429 -10.513 1.00 73.52 C ATOM 1013 CD2 LEU A 64 6.930 12.940 -8.133 1.00 34.15 C ATOM 0 H LEU A 64 5.666 14.798 -6.801 1.00 20.45 H new ATOM 0 HA LEU A 64 4.267 16.183 -8.958 1.00 44.21 H new ATOM 0 HB2 LEU A 64 5.820 15.326 -10.438 1.00 11.04 H new ATOM 0 HB3 LEU A 64 6.762 15.585 -8.983 1.00 11.04 H new ATOM 0 HG LEU A 64 5.715 12.867 -9.879 1.00 15.53 H new ATOM 0 HD11 LEU A 64 8.071 12.405 -10.568 1.00 73.52 H new ATOM 0 HD12 LEU A 64 7.360 13.745 -11.499 1.00 73.52 H new ATOM 0 HD13 LEU A 64 8.503 14.087 -10.178 1.00 73.52 H new ATOM 0 HD21 LEU A 64 7.302 11.922 -8.248 1.00 34.15 H new ATOM 0 HD22 LEU A 64 7.712 13.565 -7.703 1.00 34.15 H new ATOM 0 HD23 LEU A 64 6.063 12.938 -7.472 1.00 34.15 H new ATOM 1025 N ILE A 65 2.972 13.574 -7.859 1.00 63.12 N ATOM 1026 CA ILE A 65 1.757 12.750 -8.020 1.00 22.32 C ATOM 1027 C ILE A 65 0.658 13.643 -8.595 1.00 63.32 C ATOM 1028 O ILE A 65 0.150 14.533 -7.901 1.00 43.51 O ATOM 1029 CB ILE A 65 1.282 12.041 -6.680 1.00 75.21 C ATOM 1030 CG1 ILE A 65 2.278 10.894 -6.322 1.00 75.23 C ATOM 1031 CG2 ILE A 65 -0.179 11.499 -6.782 1.00 52.33 C ATOM 1032 CD1 ILE A 65 1.846 9.949 -5.221 1.00 74.12 C ATOM 0 H ILE A 65 3.289 13.668 -6.894 1.00 63.12 H new ATOM 0 HA ILE A 65 1.987 11.929 -8.699 1.00 22.32 H new ATOM 0 HB ILE A 65 1.280 12.786 -5.884 1.00 75.21 H new ATOM 0 HG12 ILE A 65 2.463 10.308 -7.222 1.00 75.23 H new ATOM 0 HG13 ILE A 65 3.228 11.344 -6.034 1.00 75.23 H new ATOM 0 HG21 ILE A 65 -0.457 11.023 -5.842 1.00 52.33 H new ATOM 0 HG22 ILE A 65 -0.860 12.325 -6.986 1.00 52.33 H new ATOM 0 HG23 ILE A 65 -0.241 10.770 -7.590 1.00 52.33 H new ATOM 0 HD11 ILE A 65 2.619 9.197 -5.063 1.00 74.12 H new ATOM 0 HD12 ILE A 65 1.692 10.510 -4.299 1.00 74.12 H new ATOM 0 HD13 ILE A 65 0.915 9.459 -5.507 1.00 74.12 H new ATOM 1044 N THR A 66 0.363 13.400 -9.883 1.00 62.01 N ATOM 1045 CA THR A 66 -0.540 14.207 -10.718 1.00 34.10 C ATOM 1046 C THR A 66 -1.880 14.475 -9.999 1.00 2.35 C ATOM 1047 O THR A 66 -2.305 15.625 -9.860 1.00 74.31 O ATOM 1048 CB THR A 66 -0.766 13.460 -12.083 1.00 21.51 C ATOM 1049 OG1 THR A 66 -1.339 12.154 -11.851 1.00 54.34 O ATOM 1050 CG2 THR A 66 0.555 13.285 -12.856 1.00 54.04 C ATOM 0 H THR A 66 0.761 12.608 -10.388 1.00 62.01 H new ATOM 0 HA THR A 66 -0.085 15.179 -10.907 1.00 34.10 H new ATOM 0 HB THR A 66 -1.447 14.071 -12.676 1.00 21.51 H new ATOM 0 HG1 THR A 66 -1.476 11.700 -12.709 1.00 54.34 H new ATOM 0 HG21 THR A 66 0.361 12.765 -13.794 1.00 54.04 H new ATOM 0 HG22 THR A 66 0.986 14.264 -13.066 1.00 54.04 H new ATOM 0 HG23 THR A 66 1.253 12.702 -12.256 1.00 54.04 H new ATOM 1058 N THR A 67 -2.493 13.363 -9.569 1.00 31.44 N ATOM 1059 CA THR A 67 -3.647 13.278 -8.645 1.00 41.23 C ATOM 1060 C THR A 67 -4.270 11.890 -8.833 1.00 3.03 C ATOM 1061 O THR A 67 -4.708 11.242 -7.871 1.00 70.43 O ATOM 1062 CB THR A 67 -4.766 14.393 -8.808 1.00 2.42 C ATOM 1063 OG1 THR A 67 -5.732 14.285 -7.740 1.00 54.40 O ATOM 1064 CG2 THR A 67 -5.494 14.344 -10.175 1.00 72.10 C ATOM 0 H THR A 67 -2.182 12.440 -9.872 1.00 31.44 H new ATOM 0 HA THR A 67 -3.255 13.450 -7.642 1.00 41.23 H new ATOM 0 HB THR A 67 -4.251 15.352 -8.761 1.00 2.42 H new ATOM 0 HG1 THR A 67 -6.417 14.977 -7.848 1.00 54.40 H new ATOM 0 HG21 THR A 67 -6.244 15.134 -10.216 1.00 72.10 H new ATOM 0 HG22 THR A 67 -4.771 14.488 -10.978 1.00 72.10 H new ATOM 0 HG23 THR A 67 -5.980 13.375 -10.294 1.00 72.10 H new ATOM 1072 N VAL A 68 -4.214 11.422 -10.097 1.00 75.52 N ATOM 1073 CA VAL A 68 -4.831 10.172 -10.538 1.00 62.34 C ATOM 1074 C VAL A 68 -4.167 8.953 -9.868 1.00 0.15 C ATOM 1075 O VAL A 68 -4.821 7.941 -9.666 1.00 32.03 O ATOM 1076 CB VAL A 68 -4.769 10.037 -12.108 1.00 1.15 C ATOM 1077 CG1 VAL A 68 -5.523 8.777 -12.618 1.00 5.02 C ATOM 1078 CG2 VAL A 68 -5.297 11.323 -12.797 1.00 74.42 C ATOM 0 H VAL A 68 -3.729 11.917 -10.846 1.00 75.52 H new ATOM 0 HA VAL A 68 -5.877 10.197 -10.234 1.00 62.34 H new ATOM 0 HB VAL A 68 -3.721 9.911 -12.379 1.00 1.15 H new ATOM 0 HG11 VAL A 68 -5.453 8.726 -13.705 1.00 5.02 H new ATOM 0 HG12 VAL A 68 -5.074 7.884 -12.183 1.00 5.02 H new ATOM 0 HG13 VAL A 68 -6.571 8.836 -12.324 1.00 5.02 H new ATOM 0 HG21 VAL A 68 -5.244 11.204 -13.879 1.00 74.42 H new ATOM 0 HG22 VAL A 68 -6.332 11.495 -12.502 1.00 74.42 H new ATOM 0 HG23 VAL A 68 -4.687 12.174 -12.495 1.00 74.42 H new ATOM 1088 N TYR A 69 -2.880 9.083 -9.475 1.00 62.22 N ATOM 1089 CA TYR A 69 -2.093 7.960 -8.924 1.00 21.22 C ATOM 1090 C TYR A 69 -2.611 7.475 -7.547 1.00 72.33 C ATOM 1091 O TYR A 69 -2.325 6.347 -7.163 1.00 32.51 O ATOM 1092 CB TYR A 69 -0.581 8.311 -8.874 1.00 23.51 C ATOM 1093 CG TYR A 69 0.366 7.125 -8.555 1.00 52.42 C ATOM 1094 CD1 TYR A 69 0.080 5.826 -9.003 1.00 62.41 C ATOM 1095 CD2 TYR A 69 1.529 7.303 -7.798 1.00 32.35 C ATOM 1096 CE1 TYR A 69 0.919 4.767 -8.717 1.00 5.21 C ATOM 1097 CE2 TYR A 69 2.369 6.241 -7.516 1.00 25.12 C ATOM 1098 CZ TYR A 69 2.051 4.977 -7.968 1.00 42.52 C ATOM 1099 OH TYR A 69 2.877 3.913 -7.682 1.00 2.33 O ATOM 0 H TYR A 69 -2.363 9.961 -9.530 1.00 62.22 H new ATOM 0 HA TYR A 69 -2.226 7.121 -9.607 1.00 21.22 H new ATOM 0 HB2 TYR A 69 -0.292 8.737 -9.835 1.00 23.51 H new ATOM 0 HB3 TYR A 69 -0.430 9.087 -8.123 1.00 23.51 H new ATOM 0 HD1 TYR A 69 -0.814 5.651 -9.583 1.00 62.41 H new ATOM 0 HD2 TYR A 69 1.775 8.287 -7.427 1.00 32.35 H new ATOM 0 HE1 TYR A 69 0.686 3.777 -9.081 1.00 5.21 H new ATOM 0 HE2 TYR A 69 3.271 6.401 -6.944 1.00 25.12 H new ATOM 0 HH TYR A 69 3.802 4.227 -7.610 1.00 2.33 H new ATOM 1109 N PHE A 70 -3.362 8.311 -6.803 1.00 51.22 N ATOM 1110 CA PHE A 70 -4.019 7.860 -5.547 1.00 14.41 C ATOM 1111 C PHE A 70 -5.251 6.992 -5.874 1.00 11.21 C ATOM 1112 O PHE A 70 -5.547 6.003 -5.176 1.00 51.24 O ATOM 1113 CB PHE A 70 -4.397 9.062 -4.636 1.00 5.24 C ATOM 1114 CG PHE A 70 -3.209 9.747 -3.943 1.00 54.14 C ATOM 1115 CD1 PHE A 70 -2.032 9.044 -3.646 1.00 12.32 C ATOM 1116 CD2 PHE A 70 -3.281 11.089 -3.560 1.00 31.13 C ATOM 1117 CE1 PHE A 70 -0.973 9.663 -3.004 1.00 34.35 C ATOM 1118 CE2 PHE A 70 -2.219 11.703 -2.914 1.00 75.03 C ATOM 1119 CZ PHE A 70 -1.069 10.989 -2.635 1.00 42.13 C ATOM 0 H PHE A 70 -3.531 9.289 -7.040 1.00 51.22 H new ATOM 0 HA PHE A 70 -3.307 7.251 -4.989 1.00 14.41 H new ATOM 0 HB2 PHE A 70 -4.925 9.803 -5.237 1.00 5.24 H new ATOM 0 HB3 PHE A 70 -5.094 8.716 -3.873 1.00 5.24 H new ATOM 0 HD1 PHE A 70 -1.951 8.003 -3.923 1.00 12.32 H new ATOM 0 HD2 PHE A 70 -4.176 11.656 -3.770 1.00 31.13 H new ATOM 0 HE1 PHE A 70 -0.071 9.108 -2.792 1.00 34.35 H new ATOM 0 HE2 PHE A 70 -2.291 12.742 -2.628 1.00 75.03 H new ATOM 0 HZ PHE A 70 -0.245 11.469 -2.128 1.00 42.13 H new ATOM 1129 N TYR A 71 -5.940 7.352 -6.971 1.00 22.42 N ATOM 1130 CA TYR A 71 -7.076 6.570 -7.500 1.00 73.12 C ATOM 1131 C TYR A 71 -6.556 5.261 -8.129 1.00 73.12 C ATOM 1132 O TYR A 71 -7.187 4.221 -7.999 1.00 14.11 O ATOM 1133 CB TYR A 71 -7.886 7.386 -8.544 1.00 63.15 C ATOM 1134 CG TYR A 71 -8.423 8.735 -8.020 1.00 4.41 C ATOM 1135 CD1 TYR A 71 -7.621 9.881 -8.028 1.00 21.22 C ATOM 1136 CD2 TYR A 71 -9.731 8.865 -7.535 1.00 53.42 C ATOM 1137 CE1 TYR A 71 -8.094 11.097 -7.566 1.00 73.25 C ATOM 1138 CE2 TYR A 71 -10.209 10.085 -7.077 1.00 2.33 C ATOM 1139 CZ TYR A 71 -9.388 11.194 -7.100 1.00 21.11 C ATOM 1140 OH TYR A 71 -9.861 12.411 -6.650 1.00 24.21 O ATOM 0 H TYR A 71 -5.728 8.188 -7.515 1.00 22.42 H new ATOM 0 HA TYR A 71 -7.746 6.334 -6.673 1.00 73.12 H new ATOM 0 HB2 TYR A 71 -7.253 7.573 -9.412 1.00 63.15 H new ATOM 0 HB3 TYR A 71 -8.726 6.782 -8.886 1.00 63.15 H new ATOM 0 HD1 TYR A 71 -6.610 9.816 -8.403 1.00 21.22 H new ATOM 0 HD2 TYR A 71 -10.379 8.001 -7.517 1.00 53.42 H new ATOM 0 HE1 TYR A 71 -7.452 11.966 -7.571 1.00 73.25 H new ATOM 0 HE2 TYR A 71 -11.219 10.166 -6.704 1.00 2.33 H new ATOM 0 HH TYR A 71 -10.791 12.312 -6.356 1.00 24.21 H new ATOM 1150 N GLU A 72 -5.371 5.341 -8.769 1.00 43.11 N ATOM 1151 CA GLU A 72 -4.672 4.190 -9.375 1.00 32.22 C ATOM 1152 C GLU A 72 -4.088 3.293 -8.279 1.00 24.14 C ATOM 1153 O GLU A 72 -4.002 2.073 -8.444 1.00 32.21 O ATOM 1154 CB GLU A 72 -3.537 4.662 -10.321 1.00 41.25 C ATOM 1155 CG GLU A 72 -4.010 5.397 -11.585 1.00 63.11 C ATOM 1156 CD GLU A 72 -2.841 5.847 -12.481 1.00 65.23 C ATOM 1157 OE1 GLU A 72 -2.287 6.947 -12.253 1.00 24.33 O ATOM 1158 OE2 GLU A 72 -2.447 5.079 -13.391 1.00 50.23 O ATOM 0 H GLU A 72 -4.866 6.220 -8.881 1.00 43.11 H new ATOM 0 HA GLU A 72 -5.397 3.625 -9.960 1.00 32.22 H new ATOM 0 HB2 GLU A 72 -2.870 5.320 -9.764 1.00 41.25 H new ATOM 0 HB3 GLU A 72 -2.950 3.794 -10.622 1.00 41.25 H new ATOM 0 HG2 GLU A 72 -4.669 4.743 -12.156 1.00 63.11 H new ATOM 0 HG3 GLU A 72 -4.597 6.268 -11.296 1.00 63.11 H new ATOM 1165 N LEU A 73 -3.690 3.933 -7.164 1.00 31.04 N ATOM 1166 CA LEU A 73 -3.225 3.239 -5.956 1.00 31.21 C ATOM 1167 C LEU A 73 -4.379 2.358 -5.459 1.00 72.30 C ATOM 1168 O LEU A 73 -4.205 1.169 -5.274 1.00 75.24 O ATOM 1169 CB LEU A 73 -2.773 4.262 -4.849 1.00 72.03 C ATOM 1170 CG LEU A 73 -1.427 3.955 -4.113 1.00 3.43 C ATOM 1171 CD1 LEU A 73 -1.469 2.608 -3.358 1.00 61.45 C ATOM 1172 CD2 LEU A 73 -0.225 4.025 -5.092 1.00 60.44 C ATOM 0 H LEU A 73 -3.683 4.949 -7.079 1.00 31.04 H new ATOM 0 HA LEU A 73 -2.353 2.627 -6.185 1.00 31.21 H new ATOM 0 HB2 LEU A 73 -2.692 5.247 -5.309 1.00 72.03 H new ATOM 0 HB3 LEU A 73 -3.563 4.324 -4.101 1.00 72.03 H new ATOM 0 HG LEU A 73 -1.288 4.731 -3.360 1.00 3.43 H new ATOM 0 HD11 LEU A 73 -0.513 2.438 -2.863 1.00 61.45 H new ATOM 0 HD12 LEU A 73 -2.264 2.633 -2.613 1.00 61.45 H new ATOM 0 HD13 LEU A 73 -1.660 1.801 -4.065 1.00 61.45 H new ATOM 0 HD21 LEU A 73 0.697 3.807 -4.553 1.00 60.44 H new ATOM 0 HD22 LEU A 73 -0.361 3.293 -5.888 1.00 60.44 H new ATOM 0 HD23 LEU A 73 -0.165 5.024 -5.524 1.00 60.44 H new ATOM 1184 N GLN A 74 -5.567 2.989 -5.358 1.00 11.04 N ATOM 1185 CA GLN A 74 -6.826 2.348 -4.910 1.00 32.11 C ATOM 1186 C GLN A 74 -7.213 1.144 -5.831 1.00 74.22 C ATOM 1187 O GLN A 74 -7.488 0.038 -5.334 1.00 34.25 O ATOM 1188 CB GLN A 74 -7.959 3.436 -4.878 1.00 22.03 C ATOM 1189 CG GLN A 74 -9.137 3.178 -3.903 1.00 24.41 C ATOM 1190 CD GLN A 74 -10.091 2.046 -4.283 1.00 12.24 C ATOM 1191 OE1 GLN A 74 -10.641 1.371 -3.414 1.00 0.41 O ATOM 1192 NE2 GLN A 74 -10.344 1.863 -5.572 1.00 31.33 N ATOM 0 H GLN A 74 -5.683 3.976 -5.589 1.00 11.04 H new ATOM 0 HA GLN A 74 -6.689 1.939 -3.909 1.00 32.11 H new ATOM 0 HB2 GLN A 74 -7.506 4.393 -4.620 1.00 22.03 H new ATOM 0 HB3 GLN A 74 -8.365 3.536 -5.885 1.00 22.03 H new ATOM 0 HG2 GLN A 74 -8.725 2.963 -2.917 1.00 24.41 H new ATOM 0 HG3 GLN A 74 -9.715 4.098 -3.813 1.00 24.41 H new ATOM 0 HE21 GLN A 74 -9.873 2.438 -6.271 1.00 31.33 H new ATOM 0 HE22 GLN A 74 -11.010 1.148 -5.865 1.00 31.33 H new ATOM 1201 N GLU A 75 -7.221 1.383 -7.172 1.00 52.31 N ATOM 1202 CA GLU A 75 -7.557 0.353 -8.206 1.00 5.14 C ATOM 1203 C GLU A 75 -6.627 -0.873 -8.094 1.00 74.11 C ATOM 1204 O GLU A 75 -7.087 -2.027 -8.016 1.00 24.13 O ATOM 1205 CB GLU A 75 -7.430 0.941 -9.650 1.00 73.21 C ATOM 1206 CG GLU A 75 -8.376 2.119 -9.968 1.00 14.41 C ATOM 1207 CD GLU A 75 -8.121 2.788 -11.338 1.00 61.20 C ATOM 1208 OE1 GLU A 75 -6.939 3.024 -11.698 1.00 70.42 O ATOM 1209 OE2 GLU A 75 -9.096 3.099 -12.060 1.00 35.23 O ATOM 0 H GLU A 75 -6.995 2.294 -7.570 1.00 52.31 H new ATOM 0 HA GLU A 75 -8.588 0.048 -8.024 1.00 5.14 H new ATOM 0 HB2 GLU A 75 -6.402 1.271 -9.801 1.00 73.21 H new ATOM 0 HB3 GLU A 75 -7.617 0.142 -10.368 1.00 73.21 H new ATOM 0 HG2 GLU A 75 -9.405 1.762 -9.937 1.00 14.41 H new ATOM 0 HG3 GLU A 75 -8.276 2.871 -9.185 1.00 14.41 H new ATOM 1216 N ASN A 76 -5.313 -0.584 -8.070 1.00 31.25 N ATOM 1217 CA ASN A 76 -4.256 -1.591 -8.006 1.00 63.44 C ATOM 1218 C ASN A 76 -4.301 -2.344 -6.660 1.00 70.24 C ATOM 1219 O ASN A 76 -4.060 -3.550 -6.615 1.00 73.32 O ATOM 1220 CB ASN A 76 -2.884 -0.896 -8.190 1.00 10.12 C ATOM 1221 CG ASN A 76 -1.722 -1.873 -8.215 1.00 75.44 C ATOM 1222 OD1 ASN A 76 -1.767 -2.912 -8.868 1.00 54.44 O ATOM 1223 ND2 ASN A 76 -0.700 -1.564 -7.464 1.00 11.15 N ATOM 0 H ASN A 76 -4.958 0.372 -8.095 1.00 31.25 H new ATOM 0 HA ASN A 76 -4.406 -2.320 -8.802 1.00 63.44 H new ATOM 0 HB2 ASN A 76 -2.893 -0.327 -9.120 1.00 10.12 H new ATOM 0 HB3 ASN A 76 -2.733 -0.182 -7.381 1.00 10.12 H new ATOM 0 HD21 ASN A 76 0.099 -2.195 -7.405 1.00 11.15 H new ATOM 0 HD22 ASN A 76 -0.700 -0.691 -6.936 1.00 11.15 H new ATOM 1230 N LEU A 77 -4.654 -1.613 -5.581 1.00 62.41 N ATOM 1231 CA LEU A 77 -4.794 -2.174 -4.223 1.00 24.12 C ATOM 1232 C LEU A 77 -5.898 -3.243 -4.210 1.00 1.34 C ATOM 1233 O LEU A 77 -5.662 -4.346 -3.738 1.00 52.20 O ATOM 1234 CB LEU A 77 -5.107 -1.063 -3.167 1.00 43.43 C ATOM 1235 CG LEU A 77 -3.897 -0.261 -2.580 1.00 22.23 C ATOM 1236 CD1 LEU A 77 -4.385 0.840 -1.598 1.00 33.32 C ATOM 1237 CD2 LEU A 77 -2.857 -1.202 -1.916 1.00 23.45 C ATOM 0 H LEU A 77 -4.850 -0.613 -5.629 1.00 62.41 H new ATOM 0 HA LEU A 77 -3.842 -2.630 -3.950 1.00 24.12 H new ATOM 0 HB2 LEU A 77 -5.794 -0.350 -3.623 1.00 43.43 H new ATOM 0 HB3 LEU A 77 -5.637 -1.529 -2.336 1.00 43.43 H new ATOM 0 HG LEU A 77 -3.393 0.235 -3.409 1.00 22.23 H new ATOM 0 HD11 LEU A 77 -3.526 1.383 -1.204 1.00 33.32 H new ATOM 0 HD12 LEU A 77 -5.041 1.533 -2.125 1.00 33.32 H new ATOM 0 HD13 LEU A 77 -4.931 0.378 -0.775 1.00 33.32 H new ATOM 0 HD21 LEU A 77 -2.032 -0.610 -1.520 1.00 23.45 H new ATOM 0 HD22 LEU A 77 -3.331 -1.753 -1.104 1.00 23.45 H new ATOM 0 HD23 LEU A 77 -2.477 -1.905 -2.657 1.00 23.45 H new ATOM 1249 N GLU A 78 -7.088 -2.904 -4.766 1.00 22.33 N ATOM 1250 CA GLU A 78 -8.231 -3.844 -4.847 1.00 5.51 C ATOM 1251 C GLU A 78 -7.909 -5.040 -5.767 1.00 52.53 C ATOM 1252 O GLU A 78 -8.327 -6.161 -5.486 1.00 43.21 O ATOM 1253 CB GLU A 78 -9.510 -3.136 -5.347 1.00 62.44 C ATOM 1254 CG GLU A 78 -10.002 -1.985 -4.452 1.00 1.15 C ATOM 1255 CD GLU A 78 -11.299 -1.340 -4.974 1.00 54.13 C ATOM 1256 OE1 GLU A 78 -11.343 -0.953 -6.164 1.00 72.42 O ATOM 1257 OE2 GLU A 78 -12.275 -1.199 -4.203 1.00 52.41 O ATOM 0 H GLU A 78 -7.280 -1.985 -5.165 1.00 22.33 H new ATOM 0 HA GLU A 78 -8.408 -4.214 -3.837 1.00 5.51 H new ATOM 0 HB2 GLU A 78 -9.325 -2.746 -6.348 1.00 62.44 H new ATOM 0 HB3 GLU A 78 -10.306 -3.875 -5.435 1.00 62.44 H new ATOM 0 HG2 GLU A 78 -10.169 -2.361 -3.442 1.00 1.15 H new ATOM 0 HG3 GLU A 78 -9.224 -1.224 -4.385 1.00 1.15 H new ATOM 1264 N LYS A 79 -7.166 -4.775 -6.863 1.00 24.11 N ATOM 1265 CA LYS A 79 -6.728 -5.820 -7.816 1.00 63.41 C ATOM 1266 C LYS A 79 -5.868 -6.881 -7.107 1.00 50.35 C ATOM 1267 O LYS A 79 -6.190 -8.075 -7.125 1.00 14.11 O ATOM 1268 CB LYS A 79 -5.954 -5.181 -9.006 1.00 35.14 C ATOM 1269 CG LYS A 79 -5.399 -6.196 -10.039 1.00 50.11 C ATOM 1270 CD LYS A 79 -4.776 -5.523 -11.286 1.00 31.11 C ATOM 1271 CE LYS A 79 -3.612 -4.575 -10.952 1.00 52.32 C ATOM 1272 NZ LYS A 79 -3.047 -3.947 -12.171 1.00 12.30 N ATOM 0 H LYS A 79 -6.854 -3.836 -7.112 1.00 24.11 H new ATOM 0 HA LYS A 79 -7.614 -6.317 -8.212 1.00 63.41 H new ATOM 0 HB2 LYS A 79 -6.617 -4.485 -9.521 1.00 35.14 H new ATOM 0 HB3 LYS A 79 -5.124 -4.596 -8.610 1.00 35.14 H new ATOM 0 HG2 LYS A 79 -4.646 -6.819 -9.557 1.00 50.11 H new ATOM 0 HG3 LYS A 79 -6.205 -6.858 -10.356 1.00 50.11 H new ATOM 0 HD2 LYS A 79 -4.421 -6.296 -11.967 1.00 31.11 H new ATOM 0 HD3 LYS A 79 -5.550 -4.965 -11.813 1.00 31.11 H new ATOM 0 HE2 LYS A 79 -3.960 -3.798 -10.271 1.00 52.32 H new ATOM 0 HE3 LYS A 79 -2.830 -5.128 -10.432 1.00 52.32 H new ATOM 0 HZ1 LYS A 79 -2.265 -3.315 -11.905 1.00 12.30 H new ATOM 0 HZ2 LYS A 79 -2.692 -4.687 -12.810 1.00 12.30 H new ATOM 0 HZ3 LYS A 79 -3.787 -3.398 -12.654 1.00 12.30 H new ATOM 1286 N LEU A 80 -4.817 -6.411 -6.430 1.00 73.53 N ATOM 1287 CA LEU A 80 -3.849 -7.268 -5.728 1.00 73.01 C ATOM 1288 C LEU A 80 -4.456 -7.864 -4.438 1.00 1.13 C ATOM 1289 O LEU A 80 -4.016 -8.912 -3.966 1.00 22.33 O ATOM 1290 CB LEU A 80 -2.568 -6.456 -5.424 1.00 43.40 C ATOM 1291 CG LEU A 80 -1.815 -5.882 -6.673 1.00 12.51 C ATOM 1292 CD1 LEU A 80 -0.599 -5.024 -6.246 1.00 43.23 C ATOM 1293 CD2 LEU A 80 -1.411 -7.016 -7.658 1.00 23.05 C ATOM 0 H LEU A 80 -4.609 -5.416 -6.351 1.00 73.53 H new ATOM 0 HA LEU A 80 -3.590 -8.108 -6.373 1.00 73.01 H new ATOM 0 HB2 LEU A 80 -2.833 -5.626 -4.769 1.00 43.40 H new ATOM 0 HB3 LEU A 80 -1.879 -7.093 -4.869 1.00 43.40 H new ATOM 0 HG LEU A 80 -2.501 -5.225 -7.207 1.00 12.51 H new ATOM 0 HD11 LEU A 80 -0.096 -4.639 -7.133 1.00 43.23 H new ATOM 0 HD12 LEU A 80 -0.940 -4.191 -5.632 1.00 43.23 H new ATOM 0 HD13 LEU A 80 0.096 -5.638 -5.672 1.00 43.23 H new ATOM 0 HD21 LEU A 80 -0.891 -6.586 -8.514 1.00 23.05 H new ATOM 0 HD22 LEU A 80 -0.753 -7.722 -7.150 1.00 23.05 H new ATOM 0 HD23 LEU A 80 -2.306 -7.536 -8.001 1.00 23.05 H new ATOM 1305 N LEU A 81 -5.470 -7.177 -3.887 1.00 70.22 N ATOM 1306 CA LEU A 81 -6.272 -7.669 -2.749 1.00 24.44 C ATOM 1307 C LEU A 81 -7.165 -8.840 -3.200 1.00 63.45 C ATOM 1308 O LEU A 81 -7.368 -9.805 -2.450 1.00 43.24 O ATOM 1309 CB LEU A 81 -7.074 -6.477 -2.131 1.00 51.21 C ATOM 1310 CG LEU A 81 -8.234 -6.779 -1.107 1.00 51.32 C ATOM 1311 CD1 LEU A 81 -8.323 -5.685 -0.017 1.00 14.12 C ATOM 1312 CD2 LEU A 81 -9.604 -6.914 -1.825 1.00 34.40 C ATOM 0 H LEU A 81 -5.760 -6.257 -4.219 1.00 70.22 H new ATOM 0 HA LEU A 81 -5.627 -8.063 -1.964 1.00 24.44 H new ATOM 0 HB2 LEU A 81 -6.358 -5.824 -1.632 1.00 51.21 H new ATOM 0 HB3 LEU A 81 -7.504 -5.908 -2.956 1.00 51.21 H new ATOM 0 HG LEU A 81 -7.995 -7.730 -0.630 1.00 51.32 H new ATOM 0 HD11 LEU A 81 -9.133 -5.924 0.673 1.00 14.12 H new ATOM 0 HD12 LEU A 81 -7.382 -5.639 0.531 1.00 14.12 H new ATOM 0 HD13 LEU A 81 -8.518 -4.720 -0.485 1.00 14.12 H new ATOM 0 HD21 LEU A 81 -10.381 -7.122 -1.090 1.00 34.40 H new ATOM 0 HD22 LEU A 81 -9.836 -5.984 -2.345 1.00 34.40 H new ATOM 0 HD23 LEU A 81 -9.558 -7.731 -2.545 1.00 34.40 H new ATOM 1324 N GLN A 82 -7.674 -8.758 -4.447 1.00 52.33 N ATOM 1325 CA GLN A 82 -8.398 -9.869 -5.090 1.00 11.52 C ATOM 1326 C GLN A 82 -7.437 -11.053 -5.322 1.00 52.12 C ATOM 1327 O GLN A 82 -7.794 -12.193 -5.031 1.00 53.31 O ATOM 1328 CB GLN A 82 -9.086 -9.424 -6.432 1.00 45.00 C ATOM 1329 CG GLN A 82 -10.622 -9.248 -6.363 1.00 4.43 C ATOM 1330 CD GLN A 82 -11.086 -8.081 -5.487 1.00 33.33 C ATOM 1331 OE1 GLN A 82 -11.245 -6.952 -5.962 1.00 40.24 O ATOM 1332 NE2 GLN A 82 -11.308 -8.340 -4.210 1.00 1.45 N ATOM 0 H GLN A 82 -7.594 -7.925 -5.031 1.00 52.33 H new ATOM 0 HA GLN A 82 -9.197 -10.187 -4.420 1.00 11.52 H new ATOM 0 HB2 GLN A 82 -8.643 -8.481 -6.752 1.00 45.00 H new ATOM 0 HB3 GLN A 82 -8.856 -10.162 -7.201 1.00 45.00 H new ATOM 0 HG2 GLN A 82 -11.005 -9.103 -7.373 1.00 4.43 H new ATOM 0 HG3 GLN A 82 -11.064 -10.169 -5.984 1.00 4.43 H new ATOM 0 HE21 GLN A 82 -11.167 -9.284 -3.849 1.00 1.45 H new ATOM 0 HE22 GLN A 82 -11.620 -7.596 -3.586 1.00 1.45 H new ATOM 1341 N ASP A 83 -6.211 -10.760 -5.827 1.00 50.24 N ATOM 1342 CA ASP A 83 -5.158 -11.789 -6.041 1.00 21.33 C ATOM 1343 C ASP A 83 -4.736 -12.442 -4.705 1.00 20.32 C ATOM 1344 O ASP A 83 -4.408 -13.634 -4.661 1.00 51.14 O ATOM 1345 CB ASP A 83 -3.914 -11.189 -6.759 1.00 63.31 C ATOM 1346 CG ASP A 83 -4.189 -10.711 -8.201 1.00 43.34 C ATOM 1347 OD1 ASP A 83 -4.516 -11.557 -9.066 1.00 74.55 O ATOM 1348 OD2 ASP A 83 -4.083 -9.496 -8.483 1.00 62.14 O ATOM 0 H ASP A 83 -5.926 -9.818 -6.094 1.00 50.24 H new ATOM 0 HA ASP A 83 -5.586 -12.558 -6.684 1.00 21.33 H new ATOM 0 HB2 ASP A 83 -3.540 -10.349 -6.174 1.00 63.31 H new ATOM 0 HB3 ASP A 83 -3.123 -11.939 -6.781 1.00 63.31 H new ATOM 1353 N ALA A 84 -4.768 -11.641 -3.625 1.00 12.03 N ATOM 1354 CA ALA A 84 -4.475 -12.109 -2.260 1.00 11.04 C ATOM 1355 C ALA A 84 -5.541 -13.111 -1.776 1.00 31.41 C ATOM 1356 O ALA A 84 -5.216 -14.230 -1.351 1.00 43.52 O ATOM 1357 CB ALA A 84 -4.372 -10.909 -1.307 1.00 51.03 C ATOM 0 H ALA A 84 -4.998 -10.649 -3.675 1.00 12.03 H new ATOM 0 HA ALA A 84 -3.518 -12.631 -2.269 1.00 11.04 H new ATOM 0 HB1 ALA A 84 -4.155 -11.262 -0.299 1.00 51.03 H new ATOM 0 HB2 ALA A 84 -3.572 -10.248 -1.640 1.00 51.03 H new ATOM 0 HB3 ALA A 84 -5.316 -10.364 -1.305 1.00 51.03 H new ATOM 1363 N TYR A 85 -6.822 -12.707 -1.872 1.00 72.03 N ATOM 1364 CA TYR A 85 -7.969 -13.578 -1.518 1.00 74.31 C ATOM 1365 C TYR A 85 -8.060 -14.821 -2.445 1.00 2.22 C ATOM 1366 O TYR A 85 -8.642 -15.844 -2.055 1.00 43.33 O ATOM 1367 CB TYR A 85 -9.302 -12.781 -1.577 1.00 21.54 C ATOM 1368 CG TYR A 85 -9.620 -11.899 -0.351 1.00 74.24 C ATOM 1369 CD1 TYR A 85 -9.890 -12.476 0.898 1.00 43.03 C ATOM 1370 CD2 TYR A 85 -9.714 -10.508 -0.451 1.00 13.54 C ATOM 1371 CE1 TYR A 85 -10.234 -11.697 1.990 1.00 60.44 C ATOM 1372 CE2 TYR A 85 -10.047 -9.729 0.643 1.00 62.44 C ATOM 1373 CZ TYR A 85 -10.307 -10.327 1.857 1.00 73.42 C ATOM 1374 OH TYR A 85 -10.666 -9.553 2.939 1.00 43.34 O ATOM 0 H TYR A 85 -7.094 -11.778 -2.193 1.00 72.03 H new ATOM 0 HA TYR A 85 -7.802 -13.928 -0.499 1.00 74.31 H new ATOM 0 HB2 TYR A 85 -9.282 -12.145 -2.462 1.00 21.54 H new ATOM 0 HB3 TYR A 85 -10.120 -13.489 -1.712 1.00 21.54 H new ATOM 0 HD1 TYR A 85 -9.829 -13.548 1.011 1.00 43.03 H new ATOM 0 HD2 TYR A 85 -9.523 -10.032 -1.401 1.00 13.54 H new ATOM 0 HE1 TYR A 85 -10.444 -12.161 2.942 1.00 60.44 H new ATOM 0 HE2 TYR A 85 -10.103 -8.655 0.546 1.00 62.44 H new ATOM 0 HH TYR A 85 -10.669 -8.608 2.679 1.00 43.34 H new ATOM 1384 N GLU A 86 -7.474 -14.717 -3.656 1.00 11.02 N ATOM 1385 CA GLU A 86 -7.548 -15.768 -4.697 1.00 31.43 C ATOM 1386 C GLU A 86 -6.678 -17.003 -4.351 1.00 4.11 C ATOM 1387 O GLU A 86 -6.803 -18.056 -4.989 1.00 52.42 O ATOM 1388 CB GLU A 86 -7.170 -15.158 -6.085 1.00 55.24 C ATOM 1389 CG GLU A 86 -7.459 -16.056 -7.312 1.00 45.04 C ATOM 1390 CD GLU A 86 -8.899 -16.615 -7.336 1.00 3.33 C ATOM 1391 OE1 GLU A 86 -9.861 -15.822 -7.461 1.00 62.31 O ATOM 1392 OE2 GLU A 86 -9.077 -17.854 -7.218 1.00 2.50 O ATOM 0 H GLU A 86 -6.934 -13.900 -3.942 1.00 11.02 H new ATOM 0 HA GLU A 86 -8.574 -16.133 -4.742 1.00 31.43 H new ATOM 0 HB2 GLU A 86 -7.711 -14.220 -6.209 1.00 55.24 H new ATOM 0 HB3 GLU A 86 -6.107 -14.915 -6.078 1.00 55.24 H new ATOM 0 HG2 GLU A 86 -7.284 -15.482 -8.222 1.00 45.04 H new ATOM 0 HG3 GLU A 86 -6.754 -16.887 -7.319 1.00 45.04 H new ATOM 1399 N ARG A 87 -5.806 -16.886 -3.330 1.00 74.14 N ATOM 1400 CA ARG A 87 -5.061 -18.046 -2.805 1.00 44.02 C ATOM 1401 C ARG A 87 -4.963 -17.942 -1.275 1.00 42.43 C ATOM 1402 O ARG A 87 -3.907 -17.630 -0.713 1.00 0.24 O ATOM 1403 CB ARG A 87 -3.658 -18.190 -3.490 1.00 34.33 C ATOM 1404 CG ARG A 87 -3.093 -19.644 -3.530 1.00 5.15 C ATOM 1405 CD ARG A 87 -3.609 -20.486 -4.732 1.00 42.42 C ATOM 1406 NE ARG A 87 -5.086 -20.505 -4.847 1.00 3.05 N ATOM 1407 CZ ARG A 87 -5.845 -21.546 -5.220 1.00 25.12 C ATOM 1408 NH1 ARG A 87 -5.307 -22.715 -5.536 1.00 43.24 N ATOM 1409 NH2 ARG A 87 -7.160 -21.394 -5.284 1.00 20.24 N ATOM 0 H ARG A 87 -5.602 -16.006 -2.856 1.00 74.14 H new ATOM 0 HA ARG A 87 -5.604 -18.959 -3.048 1.00 44.02 H new ATOM 0 HB2 ARG A 87 -3.728 -17.815 -4.511 1.00 34.33 H new ATOM 0 HB3 ARG A 87 -2.946 -17.553 -2.965 1.00 34.33 H new ATOM 0 HG2 ARG A 87 -2.005 -19.600 -3.570 1.00 5.15 H new ATOM 0 HG3 ARG A 87 -3.357 -20.152 -2.603 1.00 5.15 H new ATOM 0 HD2 ARG A 87 -3.185 -20.087 -5.654 1.00 42.42 H new ATOM 0 HD3 ARG A 87 -3.247 -21.509 -4.631 1.00 42.42 H new ATOM 0 HE ARG A 87 -5.575 -19.639 -4.620 1.00 3.05 H new ATOM 0 HH11 ARG A 87 -4.295 -22.838 -5.498 1.00 43.24 H new ATOM 0 HH12 ARG A 87 -5.905 -23.492 -5.817 1.00 43.24 H new ATOM 0 HH21 ARG A 87 -7.581 -20.495 -5.051 1.00 20.24 H new ATOM 0 HH22 ARG A 87 -7.751 -22.176 -5.566 1.00 20.24 H new ATOM 1423 N SER A 88 -6.114 -18.140 -0.617 1.00 11.01 N ATOM 1424 CA SER A 88 -6.216 -18.161 0.847 1.00 61.33 C ATOM 1425 C SER A 88 -5.886 -19.559 1.397 1.00 5.43 C ATOM 1426 O SER A 88 -6.726 -20.470 1.336 1.00 12.40 O ATOM 1427 CB SER A 88 -7.632 -17.715 1.275 1.00 43.04 C ATOM 1428 OG SER A 88 -7.936 -16.437 0.734 1.00 12.34 O ATOM 0 H SER A 88 -7.005 -18.291 -1.090 1.00 11.01 H new ATOM 0 HA SER A 88 -5.489 -17.464 1.264 1.00 61.33 H new ATOM 0 HB2 SER A 88 -8.367 -18.444 0.936 1.00 43.04 H new ATOM 0 HB3 SER A 88 -7.696 -17.681 2.363 1.00 43.04 H new ATOM 0 HG SER A 88 -8.134 -16.525 -0.222 1.00 12.34 H new ATOM 1434 N GLU A 89 -4.641 -19.734 1.884 1.00 44.43 N ATOM 1435 CA GLU A 89 -4.218 -20.974 2.562 1.00 40.14 C ATOM 1436 C GLU A 89 -4.786 -20.945 4.003 1.00 14.25 C ATOM 1437 O GLU A 89 -5.607 -21.794 4.385 1.00 62.43 O ATOM 1438 CB GLU A 89 -2.652 -21.106 2.543 1.00 3.43 C ATOM 1439 CG GLU A 89 -2.094 -22.558 2.585 1.00 10.11 C ATOM 1440 CD GLU A 89 -2.563 -23.404 3.791 1.00 24.44 C ATOM 1441 OE1 GLU A 89 -2.144 -23.124 4.933 1.00 32.13 O ATOM 1442 OE2 GLU A 89 -3.366 -24.352 3.599 1.00 10.25 O ATOM 0 H GLU A 89 -3.908 -19.028 1.819 1.00 44.43 H new ATOM 0 HA GLU A 89 -4.606 -21.851 2.043 1.00 40.14 H new ATOM 0 HB2 GLU A 89 -2.276 -20.618 1.644 1.00 3.43 H new ATOM 0 HB3 GLU A 89 -2.250 -20.558 3.395 1.00 3.43 H new ATOM 0 HG2 GLU A 89 -2.384 -23.069 1.667 1.00 10.11 H new ATOM 0 HG3 GLU A 89 -1.005 -22.512 2.594 1.00 10.11 H new ATOM 1449 N SER A 90 -4.360 -19.930 4.791 1.00 63.31 N ATOM 1450 CA SER A 90 -4.835 -19.714 6.175 1.00 61.54 C ATOM 1451 C SER A 90 -4.907 -18.198 6.524 1.00 12.43 C ATOM 1452 O SER A 90 -5.862 -17.514 6.131 1.00 32.42 O ATOM 1453 CB SER A 90 -3.952 -20.505 7.185 1.00 53.14 C ATOM 1454 OG SER A 90 -4.052 -21.898 6.969 1.00 23.54 O ATOM 0 H SER A 90 -3.677 -19.238 4.483 1.00 63.31 H new ATOM 0 HA SER A 90 -5.852 -20.100 6.251 1.00 61.54 H new ATOM 0 HB2 SER A 90 -2.912 -20.193 7.086 1.00 53.14 H new ATOM 0 HB3 SER A 90 -4.260 -20.269 8.204 1.00 53.14 H new ATOM 0 HG SER A 90 -3.394 -22.173 6.297 1.00 23.54 H new ATOM 1460 N LEU A 91 -3.865 -17.658 7.204 1.00 3.45 N ATOM 1461 CA LEU A 91 -3.907 -16.319 7.863 1.00 65.21 C ATOM 1462 C LEU A 91 -3.049 -15.278 7.117 1.00 73.44 C ATOM 1463 O LEU A 91 -2.950 -14.118 7.538 1.00 2.44 O ATOM 1464 CB LEU A 91 -3.385 -16.449 9.324 1.00 62.11 C ATOM 1465 CG LEU A 91 -4.108 -17.490 10.236 1.00 15.21 C ATOM 1466 CD1 LEU A 91 -3.414 -17.598 11.612 1.00 73.11 C ATOM 1467 CD2 LEU A 91 -5.619 -17.165 10.392 1.00 20.11 C ATOM 0 H LEU A 91 -2.970 -18.135 7.314 1.00 3.45 H new ATOM 0 HA LEU A 91 -4.942 -15.976 7.848 1.00 65.21 H new ATOM 0 HB2 LEU A 91 -2.327 -16.707 9.286 1.00 62.11 H new ATOM 0 HB3 LEU A 91 -3.458 -15.471 9.800 1.00 62.11 H new ATOM 0 HG LEU A 91 -4.035 -18.461 9.746 1.00 15.21 H new ATOM 0 HD11 LEU A 91 -3.938 -18.330 12.227 1.00 73.11 H new ATOM 0 HD12 LEU A 91 -2.380 -17.914 11.474 1.00 73.11 H new ATOM 0 HD13 LEU A 91 -3.434 -16.627 12.107 1.00 73.11 H new ATOM 0 HD21 LEU A 91 -6.087 -17.912 11.033 1.00 20.11 H new ATOM 0 HD22 LEU A 91 -5.735 -16.178 10.840 1.00 20.11 H new ATOM 0 HD23 LEU A 91 -6.097 -17.177 9.412 1.00 20.11 H new ATOM 1479 N GLU A 92 -2.455 -15.718 6.011 1.00 55.10 N ATOM 1480 CA GLU A 92 -1.450 -14.947 5.257 1.00 3.40 C ATOM 1481 C GLU A 92 -2.128 -13.781 4.511 1.00 52.52 C ATOM 1482 O GLU A 92 -1.551 -12.692 4.378 1.00 14.12 O ATOM 1483 CB GLU A 92 -0.681 -15.884 4.278 1.00 74.11 C ATOM 1484 CG GLU A 92 0.075 -17.081 4.926 1.00 24.22 C ATOM 1485 CD GLU A 92 -0.852 -18.138 5.555 1.00 41.24 C ATOM 1486 OE1 GLU A 92 -1.593 -18.808 4.807 1.00 4.23 O ATOM 1487 OE2 GLU A 92 -0.895 -18.267 6.804 1.00 1.50 O ATOM 0 H GLU A 92 -2.655 -16.631 5.602 1.00 55.10 H new ATOM 0 HA GLU A 92 -0.725 -14.522 5.951 1.00 3.40 H new ATOM 0 HB2 GLU A 92 -1.392 -16.280 3.553 1.00 74.11 H new ATOM 0 HB3 GLU A 92 0.040 -15.283 3.723 1.00 74.11 H new ATOM 0 HG2 GLU A 92 0.694 -17.560 4.168 1.00 24.22 H new ATOM 0 HG3 GLU A 92 0.749 -16.700 5.694 1.00 24.22 H new ATOM 1494 N VAL A 93 -3.374 -14.021 4.076 1.00 2.42 N ATOM 1495 CA VAL A 93 -4.217 -13.016 3.414 1.00 53.25 C ATOM 1496 C VAL A 93 -4.600 -11.874 4.387 1.00 22.22 C ATOM 1497 O VAL A 93 -4.731 -10.735 3.978 1.00 13.55 O ATOM 1498 CB VAL A 93 -5.514 -13.667 2.814 1.00 53.23 C ATOM 1499 CG1 VAL A 93 -6.330 -12.627 1.984 1.00 42.45 C ATOM 1500 CG2 VAL A 93 -5.122 -14.916 1.974 1.00 41.33 C ATOM 0 H VAL A 93 -3.829 -14.928 4.175 1.00 2.42 H new ATOM 0 HA VAL A 93 -3.632 -12.593 2.598 1.00 53.25 H new ATOM 0 HB VAL A 93 -6.166 -13.993 3.624 1.00 53.23 H new ATOM 0 HG11 VAL A 93 -7.223 -13.104 1.580 1.00 42.45 H new ATOM 0 HG12 VAL A 93 -6.622 -11.797 2.627 1.00 42.45 H new ATOM 0 HG13 VAL A 93 -5.716 -12.253 1.165 1.00 42.45 H new ATOM 0 HG21 VAL A 93 -6.021 -15.370 1.556 1.00 41.33 H new ATOM 0 HG22 VAL A 93 -4.457 -14.616 1.164 1.00 41.33 H new ATOM 0 HG23 VAL A 93 -4.613 -15.639 2.612 1.00 41.33 H new ATOM 1510 N ALA A 94 -4.713 -12.207 5.696 1.00 5.42 N ATOM 1511 CA ALA A 94 -5.125 -11.247 6.743 1.00 13.04 C ATOM 1512 C ALA A 94 -4.151 -10.050 6.830 1.00 73.43 C ATOM 1513 O ALA A 94 -4.578 -8.888 6.736 1.00 41.22 O ATOM 1514 CB ALA A 94 -5.255 -11.953 8.094 1.00 30.30 C ATOM 0 H ALA A 94 -4.522 -13.144 6.052 1.00 5.42 H new ATOM 0 HA ALA A 94 -6.102 -10.848 6.469 1.00 13.04 H new ATOM 0 HB1 ALA A 94 -5.559 -11.232 8.853 1.00 30.30 H new ATOM 0 HB2 ALA A 94 -6.004 -12.742 8.022 1.00 30.30 H new ATOM 0 HB3 ALA A 94 -4.295 -12.389 8.371 1.00 30.30 H new ATOM 1520 N PHE A 95 -2.843 -10.349 6.969 1.00 31.52 N ATOM 1521 CA PHE A 95 -1.781 -9.326 7.034 1.00 61.04 C ATOM 1522 C PHE A 95 -1.754 -8.478 5.745 1.00 24.43 C ATOM 1523 O PHE A 95 -1.720 -7.240 5.812 1.00 54.55 O ATOM 1524 CB PHE A 95 -0.403 -9.999 7.297 1.00 22.52 C ATOM 1525 CG PHE A 95 0.808 -9.048 7.253 1.00 23.34 C ATOM 1526 CD1 PHE A 95 0.948 -8.020 8.188 1.00 33.24 C ATOM 1527 CD2 PHE A 95 1.796 -9.176 6.278 1.00 53.51 C ATOM 1528 CE1 PHE A 95 2.029 -7.155 8.141 1.00 14.10 C ATOM 1529 CE2 PHE A 95 2.877 -8.315 6.236 1.00 54.12 C ATOM 1530 CZ PHE A 95 2.995 -7.305 7.166 1.00 74.11 C ATOM 0 H PHE A 95 -2.495 -11.305 7.039 1.00 31.52 H new ATOM 0 HA PHE A 95 -1.996 -8.653 7.864 1.00 61.04 H new ATOM 0 HB2 PHE A 95 -0.432 -10.480 8.275 1.00 22.52 H new ATOM 0 HB3 PHE A 95 -0.254 -10.786 6.558 1.00 22.52 H new ATOM 0 HD1 PHE A 95 0.202 -7.898 8.959 1.00 33.24 H new ATOM 0 HD2 PHE A 95 1.716 -9.962 5.542 1.00 53.51 H new ATOM 0 HE1 PHE A 95 2.116 -6.362 8.869 1.00 14.10 H new ATOM 0 HE2 PHE A 95 3.631 -8.434 5.472 1.00 54.12 H new ATOM 0 HZ PHE A 95 3.840 -6.633 7.132 1.00 74.11 H new ATOM 1540 N VAL A 96 -1.823 -9.161 4.592 1.00 15.33 N ATOM 1541 CA VAL A 96 -1.804 -8.521 3.255 1.00 63.00 C ATOM 1542 C VAL A 96 -2.994 -7.533 3.075 1.00 54.32 C ATOM 1543 O VAL A 96 -2.811 -6.377 2.640 1.00 61.20 O ATOM 1544 CB VAL A 96 -1.810 -9.623 2.122 1.00 5.33 C ATOM 1545 CG1 VAL A 96 -1.994 -9.006 0.721 1.00 63.22 C ATOM 1546 CG2 VAL A 96 -0.519 -10.483 2.192 1.00 21.21 C ATOM 0 H VAL A 96 -1.894 -10.178 4.554 1.00 15.33 H new ATOM 0 HA VAL A 96 -0.886 -7.939 3.173 1.00 63.00 H new ATOM 0 HB VAL A 96 -2.667 -10.274 2.298 1.00 5.33 H new ATOM 0 HG11 VAL A 96 -1.992 -9.798 -0.028 1.00 63.22 H new ATOM 0 HG12 VAL A 96 -2.943 -8.470 0.681 1.00 63.22 H new ATOM 0 HG13 VAL A 96 -1.177 -8.313 0.518 1.00 63.22 H new ATOM 0 HG21 VAL A 96 -0.541 -11.236 1.405 1.00 21.21 H new ATOM 0 HG22 VAL A 96 0.353 -9.842 2.058 1.00 21.21 H new ATOM 0 HG23 VAL A 96 -0.462 -10.975 3.163 1.00 21.21 H new ATOM 1556 N THR A 97 -4.196 -7.985 3.450 1.00 60.44 N ATOM 1557 CA THR A 97 -5.436 -7.198 3.337 1.00 52.55 C ATOM 1558 C THR A 97 -5.398 -5.983 4.286 1.00 11.11 C ATOM 1559 O THR A 97 -5.806 -4.885 3.899 1.00 72.40 O ATOM 1560 CB THR A 97 -6.686 -8.101 3.615 1.00 35.15 C ATOM 1561 OG1 THR A 97 -6.682 -9.191 2.675 1.00 45.14 O ATOM 1562 CG2 THR A 97 -8.020 -7.334 3.507 1.00 64.04 C ATOM 0 H THR A 97 -4.340 -8.915 3.844 1.00 60.44 H new ATOM 0 HA THR A 97 -5.517 -6.820 2.318 1.00 52.55 H new ATOM 0 HB THR A 97 -6.613 -8.461 4.641 1.00 35.15 H new ATOM 0 HG1 THR A 97 -5.959 -9.813 2.899 1.00 45.14 H new ATOM 0 HG21 THR A 97 -8.848 -8.013 3.710 1.00 64.04 H new ATOM 0 HG22 THR A 97 -8.032 -6.521 4.232 1.00 64.04 H new ATOM 0 HG23 THR A 97 -8.124 -6.925 2.502 1.00 64.04 H new ATOM 1570 N GLN A 98 -4.848 -6.185 5.506 1.00 51.45 N ATOM 1571 CA GLN A 98 -4.660 -5.096 6.497 1.00 34.35 C ATOM 1572 C GLN A 98 -3.665 -4.041 5.980 1.00 51.33 C ATOM 1573 O GLN A 98 -3.841 -2.857 6.241 1.00 64.13 O ATOM 1574 CB GLN A 98 -4.184 -5.651 7.871 1.00 62.44 C ATOM 1575 CG GLN A 98 -5.256 -6.427 8.669 1.00 61.41 C ATOM 1576 CD GLN A 98 -6.376 -5.559 9.274 1.00 31.01 C ATOM 1577 OE1 GLN A 98 -6.761 -4.517 8.733 1.00 23.11 O ATOM 1578 NE2 GLN A 98 -6.908 -5.990 10.408 1.00 42.42 N ATOM 0 H GLN A 98 -4.525 -7.097 5.830 1.00 51.45 H new ATOM 0 HA GLN A 98 -5.630 -4.620 6.639 1.00 34.35 H new ATOM 0 HB2 GLN A 98 -3.330 -6.308 7.704 1.00 62.44 H new ATOM 0 HB3 GLN A 98 -3.831 -4.818 8.480 1.00 62.44 H new ATOM 0 HG2 GLN A 98 -5.708 -7.170 8.012 1.00 61.41 H new ATOM 0 HG3 GLN A 98 -4.764 -6.971 9.475 1.00 61.41 H new ATOM 0 HE21 GLN A 98 -6.571 -6.854 10.833 1.00 42.42 H new ATOM 0 HE22 GLN A 98 -7.654 -5.458 10.856 1.00 42.42 H new ATOM 1587 N LEU A 99 -2.631 -4.500 5.249 1.00 4.13 N ATOM 1588 CA LEU A 99 -1.654 -3.615 4.572 1.00 3.35 C ATOM 1589 C LEU A 99 -2.356 -2.715 3.545 1.00 41.52 C ATOM 1590 O LEU A 99 -2.143 -1.497 3.532 1.00 64.33 O ATOM 1591 CB LEU A 99 -0.582 -4.449 3.843 1.00 73.20 C ATOM 1592 CG LEU A 99 0.425 -5.239 4.710 1.00 54.23 C ATOM 1593 CD1 LEU A 99 1.232 -6.214 3.831 1.00 34.24 C ATOM 1594 CD2 LEU A 99 1.344 -4.278 5.480 1.00 25.30 C ATOM 0 H LEU A 99 -2.447 -5.493 5.109 1.00 4.13 H new ATOM 0 HA LEU A 99 -1.183 -2.998 5.337 1.00 3.35 H new ATOM 0 HB2 LEU A 99 -1.094 -5.158 3.193 1.00 73.20 H new ATOM 0 HB3 LEU A 99 -0.015 -3.777 3.198 1.00 73.20 H new ATOM 0 HG LEU A 99 -0.124 -5.827 5.445 1.00 54.23 H new ATOM 0 HD11 LEU A 99 1.938 -6.765 4.452 1.00 34.24 H new ATOM 0 HD12 LEU A 99 0.552 -6.914 3.346 1.00 34.24 H new ATOM 0 HD13 LEU A 99 1.777 -5.653 3.072 1.00 34.24 H new ATOM 0 HD21 LEU A 99 2.046 -4.852 6.085 1.00 25.30 H new ATOM 0 HD22 LEU A 99 1.896 -3.658 4.774 1.00 25.30 H new ATOM 0 HD23 LEU A 99 0.743 -3.641 6.129 1.00 25.30 H new ATOM 1606 N VAL A 100 -3.176 -3.350 2.681 1.00 43.03 N ATOM 1607 CA VAL A 100 -3.992 -2.644 1.671 1.00 60.22 C ATOM 1608 C VAL A 100 -4.875 -1.561 2.344 1.00 3.02 C ATOM 1609 O VAL A 100 -4.882 -0.382 1.911 1.00 22.14 O ATOM 1610 CB VAL A 100 -4.882 -3.673 0.875 1.00 54.34 C ATOM 1611 CG1 VAL A 100 -5.893 -2.965 -0.059 1.00 74.30 C ATOM 1612 CG2 VAL A 100 -3.998 -4.674 0.080 1.00 12.43 C ATOM 0 H VAL A 100 -3.291 -4.363 2.664 1.00 43.03 H new ATOM 0 HA VAL A 100 -3.324 -2.147 0.968 1.00 60.22 H new ATOM 0 HB VAL A 100 -5.460 -4.234 1.609 1.00 54.34 H new ATOM 0 HG11 VAL A 100 -6.485 -3.712 -0.588 1.00 74.30 H new ATOM 0 HG12 VAL A 100 -6.553 -2.331 0.533 1.00 74.30 H new ATOM 0 HG13 VAL A 100 -5.354 -2.352 -0.781 1.00 74.30 H new ATOM 0 HG21 VAL A 100 -4.636 -5.373 -0.460 1.00 12.43 H new ATOM 0 HG22 VAL A 100 -3.377 -4.127 -0.629 1.00 12.43 H new ATOM 0 HG23 VAL A 100 -3.360 -5.225 0.771 1.00 12.43 H new ATOM 1622 N LYS A 101 -5.560 -1.967 3.443 1.00 13.52 N ATOM 1623 CA LYS A 101 -6.438 -1.071 4.221 1.00 54.10 C ATOM 1624 C LYS A 101 -5.646 0.144 4.716 1.00 75.31 C ATOM 1625 O LYS A 101 -5.981 1.269 4.372 1.00 0.41 O ATOM 1626 CB LYS A 101 -7.084 -1.789 5.442 1.00 64.12 C ATOM 1627 CG LYS A 101 -7.982 -3.020 5.140 1.00 21.23 C ATOM 1628 CD LYS A 101 -9.210 -2.739 4.218 1.00 3.42 C ATOM 1629 CE LYS A 101 -8.934 -2.979 2.712 1.00 52.12 C ATOM 1630 NZ LYS A 101 -10.119 -2.683 1.869 1.00 12.12 N ATOM 0 H LYS A 101 -5.517 -2.918 3.809 1.00 13.52 H new ATOM 0 HA LYS A 101 -7.239 -0.754 3.554 1.00 54.10 H new ATOM 0 HB2 LYS A 101 -6.284 -2.109 6.110 1.00 64.12 H new ATOM 0 HB3 LYS A 101 -7.682 -1.059 5.987 1.00 64.12 H new ATOM 0 HG2 LYS A 101 -7.368 -3.792 4.675 1.00 21.23 H new ATOM 0 HG3 LYS A 101 -8.343 -3.426 6.085 1.00 21.23 H new ATOM 0 HD2 LYS A 101 -10.039 -3.374 4.531 1.00 3.42 H new ATOM 0 HD3 LYS A 101 -9.528 -1.706 4.359 1.00 3.42 H new ATOM 0 HE2 LYS A 101 -8.099 -2.355 2.394 1.00 52.12 H new ATOM 0 HE3 LYS A 101 -8.633 -4.016 2.561 1.00 52.12 H new ATOM 0 HZ1 LYS A 101 -9.887 -2.858 0.870 1.00 12.12 H new ATOM 0 HZ2 LYS A 101 -10.909 -3.296 2.153 1.00 12.12 H new ATOM 0 HZ3 LYS A 101 -10.392 -1.687 1.992 1.00 12.12 H new ATOM 1644 N LYS A 102 -4.558 -0.124 5.472 1.00 71.31 N ATOM 1645 CA LYS A 102 -3.700 0.914 6.082 1.00 45.14 C ATOM 1646 C LYS A 102 -3.188 1.917 5.041 1.00 51.05 C ATOM 1647 O LYS A 102 -3.311 3.119 5.242 1.00 71.11 O ATOM 1648 CB LYS A 102 -2.484 0.276 6.820 1.00 14.31 C ATOM 1649 CG LYS A 102 -2.822 -0.448 8.135 1.00 74.33 C ATOM 1650 CD LYS A 102 -3.301 0.525 9.236 1.00 1.31 C ATOM 1651 CE LYS A 102 -3.487 -0.166 10.593 1.00 40.02 C ATOM 1652 NZ LYS A 102 -3.907 0.781 11.656 1.00 54.53 N ATOM 0 H LYS A 102 -4.249 -1.074 5.677 1.00 71.31 H new ATOM 0 HA LYS A 102 -4.321 1.447 6.802 1.00 45.14 H new ATOM 0 HB2 LYS A 102 -2.002 -0.433 6.147 1.00 14.31 H new ATOM 0 HB3 LYS A 102 -1.756 1.059 7.032 1.00 14.31 H new ATOM 0 HG2 LYS A 102 -3.597 -1.192 7.949 1.00 74.33 H new ATOM 0 HG3 LYS A 102 -1.942 -0.986 8.487 1.00 74.33 H new ATOM 0 HD2 LYS A 102 -2.578 1.334 9.340 1.00 1.31 H new ATOM 0 HD3 LYS A 102 -4.244 0.978 8.931 1.00 1.31 H new ATOM 0 HE2 LYS A 102 -4.233 -0.955 10.497 1.00 40.02 H new ATOM 0 HE3 LYS A 102 -2.553 -0.645 10.885 1.00 40.02 H new ATOM 0 HZ1 LYS A 102 -4.020 0.268 12.553 1.00 54.53 H new ATOM 0 HZ2 LYS A 102 -3.184 1.520 11.768 1.00 54.53 H new ATOM 0 HZ3 LYS A 102 -4.812 1.220 11.392 1.00 54.53 H new ATOM 1666 N LEU A 103 -2.654 1.401 3.925 1.00 34.34 N ATOM 1667 CA LEU A 103 -2.076 2.225 2.844 1.00 3.51 C ATOM 1668 C LEU A 103 -3.156 3.141 2.215 1.00 51.33 C ATOM 1669 O LEU A 103 -2.881 4.307 1.890 1.00 11.32 O ATOM 1670 CB LEU A 103 -1.399 1.308 1.781 1.00 32.25 C ATOM 1671 CG LEU A 103 -0.531 2.021 0.687 1.00 25.04 C ATOM 1672 CD1 LEU A 103 0.564 2.923 1.321 1.00 34.23 C ATOM 1673 CD2 LEU A 103 0.093 0.978 -0.281 1.00 25.24 C ATOM 0 H LEU A 103 -2.609 0.399 3.742 1.00 34.34 H new ATOM 0 HA LEU A 103 -1.309 2.876 3.262 1.00 3.51 H new ATOM 0 HB2 LEU A 103 -0.766 0.591 2.304 1.00 32.25 H new ATOM 0 HB3 LEU A 103 -2.179 0.737 1.278 1.00 32.25 H new ATOM 0 HG LEU A 103 -1.190 2.671 0.112 1.00 25.04 H new ATOM 0 HD11 LEU A 103 1.145 3.400 0.531 1.00 34.23 H new ATOM 0 HD12 LEU A 103 0.093 3.688 1.938 1.00 34.23 H new ATOM 0 HD13 LEU A 103 1.224 2.314 1.939 1.00 34.23 H new ATOM 0 HD21 LEU A 103 0.692 1.492 -1.033 1.00 25.24 H new ATOM 0 HD22 LEU A 103 0.727 0.293 0.282 1.00 25.24 H new ATOM 0 HD23 LEU A 103 -0.702 0.416 -0.772 1.00 25.24 H new ATOM 1685 N LEU A 104 -4.395 2.612 2.094 1.00 23.45 N ATOM 1686 CA LEU A 104 -5.559 3.386 1.597 1.00 71.53 C ATOM 1687 C LEU A 104 -6.071 4.413 2.656 1.00 33.41 C ATOM 1688 O LEU A 104 -6.512 5.519 2.309 1.00 15.11 O ATOM 1689 CB LEU A 104 -6.690 2.411 1.161 1.00 33.55 C ATOM 1690 CG LEU A 104 -7.934 3.055 0.463 1.00 4.40 C ATOM 1691 CD1 LEU A 104 -7.502 3.949 -0.735 1.00 61.33 C ATOM 1692 CD2 LEU A 104 -8.948 1.962 0.026 1.00 20.41 C ATOM 0 H LEU A 104 -4.617 1.646 2.335 1.00 23.45 H new ATOM 0 HA LEU A 104 -5.240 3.966 0.731 1.00 71.53 H new ATOM 0 HB2 LEU A 104 -6.262 1.673 0.483 1.00 33.55 H new ATOM 0 HB3 LEU A 104 -7.035 1.871 2.043 1.00 33.55 H new ATOM 0 HG LEU A 104 -8.435 3.700 1.185 1.00 4.40 H new ATOM 0 HD11 LEU A 104 -8.386 4.384 -1.202 1.00 61.33 H new ATOM 0 HD12 LEU A 104 -6.851 4.747 -0.378 1.00 61.33 H new ATOM 0 HD13 LEU A 104 -6.966 3.344 -1.466 1.00 61.33 H new ATOM 0 HD21 LEU A 104 -9.805 2.432 -0.457 1.00 20.41 H new ATOM 0 HD22 LEU A 104 -8.467 1.279 -0.674 1.00 20.41 H new ATOM 0 HD23 LEU A 104 -9.285 1.407 0.902 1.00 20.41 H new ATOM 1704 N ILE A 105 -5.971 4.042 3.947 1.00 61.24 N ATOM 1705 CA ILE A 105 -6.449 4.869 5.089 1.00 72.44 C ATOM 1706 C ILE A 105 -5.518 6.079 5.314 1.00 53.15 C ATOM 1707 O ILE A 105 -5.980 7.184 5.643 1.00 65.13 O ATOM 1708 CB ILE A 105 -6.578 3.986 6.404 1.00 21.20 C ATOM 1709 CG1 ILE A 105 -7.773 2.981 6.274 1.00 64.32 C ATOM 1710 CG2 ILE A 105 -6.725 4.846 7.692 1.00 25.20 C ATOM 1711 CD1 ILE A 105 -7.897 1.976 7.409 1.00 33.40 C ATOM 0 H ILE A 105 -5.555 3.157 4.236 1.00 61.24 H new ATOM 0 HA ILE A 105 -7.440 5.253 4.847 1.00 72.44 H new ATOM 0 HB ILE A 105 -5.648 3.426 6.503 1.00 21.20 H new ATOM 0 HG12 ILE A 105 -8.701 3.550 6.210 1.00 64.32 H new ATOM 0 HG13 ILE A 105 -7.668 2.435 5.336 1.00 64.32 H new ATOM 0 HG21 ILE A 105 -6.809 4.191 8.559 1.00 25.20 H new ATOM 0 HG22 ILE A 105 -5.850 5.486 7.804 1.00 25.20 H new ATOM 0 HG23 ILE A 105 -7.619 5.465 7.616 1.00 25.20 H new ATOM 0 HD11 ILE A 105 -8.753 1.326 7.227 1.00 33.40 H new ATOM 0 HD12 ILE A 105 -6.989 1.375 7.463 1.00 33.40 H new ATOM 0 HD13 ILE A 105 -8.038 2.506 8.351 1.00 33.40 H new ATOM 1723 N ILE A 106 -4.215 5.863 5.104 1.00 53.40 N ATOM 1724 CA ILE A 106 -3.181 6.899 5.255 1.00 34.20 C ATOM 1725 C ILE A 106 -3.366 8.011 4.200 1.00 35.02 C ATOM 1726 O ILE A 106 -3.284 9.200 4.532 1.00 1.41 O ATOM 1727 CB ILE A 106 -1.745 6.253 5.178 1.00 22.25 C ATOM 1728 CG1 ILE A 106 -1.498 5.325 6.413 1.00 20.43 C ATOM 1729 CG2 ILE A 106 -0.628 7.313 5.058 1.00 1.02 C ATOM 1730 CD1 ILE A 106 -0.245 4.479 6.317 1.00 12.34 C ATOM 0 H ILE A 106 -3.842 4.956 4.822 1.00 53.40 H new ATOM 0 HA ILE A 106 -3.285 7.362 6.236 1.00 34.20 H new ATOM 0 HB ILE A 106 -1.709 5.652 4.269 1.00 22.25 H new ATOM 0 HG12 ILE A 106 -1.438 5.942 7.310 1.00 20.43 H new ATOM 0 HG13 ILE A 106 -2.358 4.667 6.536 1.00 20.43 H new ATOM 0 HG21 ILE A 106 0.341 6.816 5.008 1.00 1.02 H new ATOM 0 HG22 ILE A 106 -0.781 7.902 4.153 1.00 1.02 H new ATOM 0 HG23 ILE A 106 -0.655 7.970 5.927 1.00 1.02 H new ATOM 0 HD11 ILE A 106 -0.150 3.866 7.213 1.00 12.34 H new ATOM 0 HD12 ILE A 106 -0.308 3.833 5.441 1.00 12.34 H new ATOM 0 HD13 ILE A 106 0.626 5.128 6.227 1.00 12.34 H new ATOM 1742 N ILE A 107 -3.676 7.622 2.939 1.00 53.24 N ATOM 1743 CA ILE A 107 -3.853 8.585 1.821 1.00 12.31 C ATOM 1744 C ILE A 107 -5.301 9.160 1.749 1.00 32.34 C ATOM 1745 O ILE A 107 -5.736 9.643 0.693 1.00 32.14 O ATOM 1746 CB ILE A 107 -3.427 7.943 0.440 1.00 53.13 C ATOM 1747 CG1 ILE A 107 -4.375 6.761 0.034 1.00 32.13 C ATOM 1748 CG2 ILE A 107 -1.944 7.477 0.493 1.00 51.11 C ATOM 1749 CD1 ILE A 107 -4.039 6.085 -1.292 1.00 22.05 C ATOM 0 H ILE A 107 -3.809 6.647 2.669 1.00 53.24 H new ATOM 0 HA ILE A 107 -3.190 9.426 2.026 1.00 12.31 H new ATOM 0 HB ILE A 107 -3.522 8.710 -0.329 1.00 53.13 H new ATOM 0 HG12 ILE A 107 -4.351 6.009 0.823 1.00 32.13 H new ATOM 0 HG13 ILE A 107 -5.397 7.137 -0.017 1.00 32.13 H new ATOM 0 HG21 ILE A 107 -1.666 7.037 -0.465 1.00 51.11 H new ATOM 0 HG22 ILE A 107 -1.301 8.332 0.700 1.00 51.11 H new ATOM 0 HG23 ILE A 107 -1.824 6.734 1.281 1.00 51.11 H new ATOM 0 HD11 ILE A 107 -4.752 5.282 -1.482 1.00 22.05 H new ATOM 0 HD12 ILE A 107 -4.094 6.817 -2.098 1.00 22.05 H new ATOM 0 HD13 ILE A 107 -3.031 5.672 -1.245 1.00 22.05 H new ATOM 1761 N SER A 108 -6.035 9.131 2.882 1.00 74.20 N ATOM 1762 CA SER A 108 -7.365 9.772 3.009 1.00 34.03 C ATOM 1763 C SER A 108 -7.222 11.245 3.480 1.00 23.52 C ATOM 1764 O SER A 108 -6.142 11.668 3.917 1.00 53.42 O ATOM 1765 CB SER A 108 -8.235 8.964 3.992 1.00 2.21 C ATOM 1766 OG SER A 108 -8.303 7.595 3.617 1.00 5.21 O ATOM 0 H SER A 108 -5.724 8.664 3.734 1.00 74.20 H new ATOM 0 HA SER A 108 -7.850 9.781 2.033 1.00 34.03 H new ATOM 0 HB2 SER A 108 -7.824 9.048 4.998 1.00 2.21 H new ATOM 0 HB3 SER A 108 -9.240 9.385 4.022 1.00 2.21 H new ATOM 0 HG SER A 108 -8.860 7.107 4.259 1.00 5.21 H new ATOM 1772 N ARG A 109 -8.329 12.011 3.406 1.00 15.20 N ATOM 1773 CA ARG A 109 -8.328 13.476 3.654 1.00 54.55 C ATOM 1774 C ARG A 109 -8.861 13.797 5.074 1.00 54.12 C ATOM 1775 O ARG A 109 -9.577 12.969 5.656 1.00 51.21 O ATOM 1776 CB ARG A 109 -9.235 14.191 2.602 1.00 13.32 C ATOM 1777 CG ARG A 109 -9.123 13.650 1.158 1.00 13.22 C ATOM 1778 CD ARG A 109 -10.070 14.373 0.186 1.00 24.33 C ATOM 1779 NE ARG A 109 -10.192 13.674 -1.115 1.00 23.45 N ATOM 1780 CZ ARG A 109 -10.913 14.118 -2.156 1.00 43.31 C ATOM 1781 NH1 ARG A 109 -11.574 15.272 -2.088 1.00 74.01 N ATOM 1782 NH2 ARG A 109 -11.004 13.381 -3.262 1.00 14.11 N ATOM 0 H ARG A 109 -9.249 11.637 3.174 1.00 15.20 H new ATOM 0 HA ARG A 109 -7.301 13.833 3.570 1.00 54.55 H new ATOM 0 HB2 ARG A 109 -10.273 14.107 2.924 1.00 13.32 H new ATOM 0 HB3 ARG A 109 -8.988 15.253 2.595 1.00 13.32 H new ATOM 0 HG2 ARG A 109 -8.096 13.761 0.810 1.00 13.22 H new ATOM 0 HG3 ARG A 109 -9.348 12.583 1.154 1.00 13.22 H new ATOM 0 HD2 ARG A 109 -11.056 14.459 0.642 1.00 24.33 H new ATOM 0 HD3 ARG A 109 -9.707 15.387 0.017 1.00 24.33 H new ATOM 0 HE ARG A 109 -9.692 12.792 -1.227 1.00 23.45 H new ATOM 0 HH11 ARG A 109 -11.537 15.832 -1.236 1.00 74.01 H new ATOM 0 HH12 ARG A 109 -12.118 15.596 -2.888 1.00 74.01 H new ATOM 0 HH21 ARG A 109 -10.526 12.481 -3.316 1.00 14.11 H new ATOM 0 HH22 ARG A 109 -11.551 13.716 -4.055 1.00 14.11 H new ATOM 1796 N PRO A 110 -8.503 15.000 5.657 1.00 34.45 N ATOM 1797 CA PRO A 110 -9.244 15.607 6.803 1.00 55.14 C ATOM 1798 C PRO A 110 -10.752 15.788 6.462 1.00 73.34 C ATOM 1799 O PRO A 110 -11.088 16.377 5.424 1.00 2.33 O ATOM 1800 CB PRO A 110 -8.530 16.987 7.009 1.00 20.02 C ATOM 1801 CG PRO A 110 -7.717 17.210 5.761 1.00 2.53 C ATOM 1802 CD PRO A 110 -7.314 15.829 5.296 1.00 12.13 C ATOM 0 HA PRO A 110 -9.226 14.988 7.700 1.00 55.14 H new ATOM 0 HB2 PRO A 110 -9.256 17.787 7.152 1.00 20.02 H new ATOM 0 HB3 PRO A 110 -7.894 16.972 7.894 1.00 20.02 H new ATOM 0 HG2 PRO A 110 -8.300 17.727 4.999 1.00 2.53 H new ATOM 0 HG3 PRO A 110 -6.842 17.827 5.966 1.00 2.53 H new ATOM 0 HD2 PRO A 110 -7.114 15.805 4.225 1.00 12.13 H new ATOM 0 HD3 PRO A 110 -6.411 15.481 5.797 1.00 12.13 H new ATOM 1810 N ALA A 111 -11.653 15.266 7.324 1.00 4.35 N ATOM 1811 CA ALA A 111 -13.113 15.274 7.073 1.00 24.14 C ATOM 1812 C ALA A 111 -13.870 15.906 8.269 1.00 20.42 C ATOM 1813 O ALA A 111 -13.942 17.140 8.364 1.00 12.03 O ATOM 1814 CB ALA A 111 -13.590 13.841 6.740 1.00 12.50 C ATOM 0 H ALA A 111 -11.392 14.830 8.208 1.00 4.35 H new ATOM 0 HA ALA A 111 -13.338 15.899 6.208 1.00 24.14 H new ATOM 0 HB1 ALA A 111 -14.664 13.849 6.556 1.00 12.50 H new ATOM 0 HB2 ALA A 111 -13.072 13.482 5.851 1.00 12.50 H new ATOM 0 HB3 ALA A 111 -13.371 13.180 7.579 1.00 12.50 H new ATOM 1820 N ARG A 112 -14.388 15.078 9.210 1.00 44.30 N ATOM 1821 CA ARG A 112 -15.131 15.550 10.406 1.00 62.22 C ATOM 1822 C ARG A 112 -14.290 15.191 11.652 1.00 71.24 C ATOM 1823 O ARG A 112 -14.467 14.084 12.211 1.00 65.24 O ATOM 1824 CB ARG A 112 -16.573 14.932 10.500 1.00 2.13 C ATOM 1825 CG ARG A 112 -17.457 15.099 9.235 1.00 54.34 C ATOM 1826 CD ARG A 112 -17.203 14.016 8.163 1.00 33.24 C ATOM 1827 NE ARG A 112 -17.695 14.411 6.830 1.00 13.51 N ATOM 1828 CZ ARG A 112 -17.443 13.751 5.685 1.00 74.43 C ATOM 1829 NH1 ARG A 112 -16.717 12.632 5.692 1.00 45.13 N ATOM 1830 NH2 ARG A 112 -17.883 14.234 4.531 1.00 11.14 N ATOM 1831 OXT ARG A 112 -13.409 15.987 12.035 1.00 37.54 O ATOM 0 H ARG A 112 -14.302 14.063 9.161 1.00 44.30 H new ATOM 0 HA ARG A 112 -15.276 16.628 10.337 1.00 62.22 H new ATOM 0 HB2 ARG A 112 -16.480 13.868 10.718 1.00 2.13 H new ATOM 0 HB3 ARG A 112 -17.090 15.387 11.345 1.00 2.13 H new ATOM 0 HG2 ARG A 112 -18.507 15.071 9.528 1.00 54.34 H new ATOM 0 HG3 ARG A 112 -17.274 16.081 8.799 1.00 54.34 H new ATOM 0 HD2 ARG A 112 -16.134 13.811 8.105 1.00 33.24 H new ATOM 0 HD3 ARG A 112 -17.690 13.089 8.466 1.00 33.24 H new ATOM 0 HE ARG A 112 -18.272 15.250 6.772 1.00 13.51 H new ATOM 0 HH11 ARG A 112 -16.347 12.269 6.571 1.00 45.13 H new ATOM 0 HH12 ARG A 112 -16.532 12.139 4.819 1.00 45.13 H new ATOM 0 HH21 ARG A 112 -18.412 15.106 4.512 1.00 11.14 H new ATOM 0 HH22 ARG A 112 -17.692 13.734 3.663 1.00 11.14 H new TER 1845 ARG A 112