USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 791 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 66 LYS NZ :NH3+ -174:sc= -0.506 (180deg=-0.212) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.269 K(o=-0.77,f=-9.1!) USER MOD Set 2.1: A 30 CYS SG : rot 118:sc= 0.91 USER MOD Set 2.2: A 33 CYS SG : rot 79:sc= -1.02 USER MOD Set 3.1: A 4 GLN : amide:sc= 1.02 K(o=-0.56,f=-3.5) USER MOD Set 3.2: A 26 TYR OH : rot 36:sc= -1.58 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.152 (180deg=-0.764) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.203 (180deg=-0.266) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= -0.0274 (180deg=-0.213) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.703 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0837) USER MOD Single : A 28 THR OG1 : rot -27:sc= -1.43! USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.0447 (180deg=-0.265) USER MOD Single : A 35 MET CE :methyl -156:sc= -0.224 (180deg=-0.939) USER MOD Single : A 39 MET CE :methyl 167:sc= -0.924 (180deg=-1.44) USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= -0.0141 (180deg=-0.166) USER MOD Single : A 44 SER OG : rot -20:sc= 0.345 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -114:sc= 0.318 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= -8.98! (180deg=-9.79!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -109:sc= -4.03! (180deg=-9.26!) USER MOD Single : A 74 THR OG1 : rot 104:sc= -2.57! USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= -0.0113 (180deg=-0.155) USER MOD Single : A 80 ASN : amide:sc= -0.991 K(o=-0.99,f=-3.7!) USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= -0.0436 (180deg=-0.291) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.1!) USER MOD Single : A 96 LYS NZ :NH3+ -106:sc= -2.49! (180deg=-5.39!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 102 ASN : amide:sc= -4.24 K(o=-4.2,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.269 12.436 4.157 1.00 0.00 N ATOM 2 CA MET A 1 -2.711 12.265 4.480 1.00 0.00 C ATOM 3 C MET A 1 -3.132 10.804 4.362 1.00 0.00 C ATOM 4 O MET A 1 -3.863 10.290 5.209 1.00 0.00 O ATOM 5 CB MET A 1 -3.535 13.133 3.525 1.00 0.00 C ATOM 6 CG MET A 1 -3.376 12.754 2.062 1.00 0.00 C ATOM 7 SD MET A 1 -4.368 13.785 0.964 1.00 0.00 S ATOM 8 CE MET A 1 -3.671 15.401 1.296 1.00 0.00 C ATOM 0 H1 MET A 1 -1.033 13.449 4.146 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.693 11.954 4.876 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.071 12.024 3.223 1.00 0.00 H new ATOM 0 HA MET A 1 -2.885 12.575 5.510 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.588 13.059 3.798 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.245 14.176 3.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.326 12.837 1.781 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.660 11.710 1.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.923 16.080 0.482 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.078 15.788 2.230 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.587 15.320 1.378 1.00 0.00 H new ATOM 20 N VAL A 2 -2.666 10.139 3.308 1.00 0.00 N ATOM 21 CA VAL A 2 -2.990 8.736 3.082 1.00 0.00 C ATOM 22 C VAL A 2 -4.471 8.552 2.767 1.00 0.00 C ATOM 23 O VAL A 2 -5.330 9.193 3.372 1.00 0.00 O ATOM 24 CB VAL A 2 -2.619 7.872 4.304 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.906 6.402 4.034 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.159 8.080 4.678 1.00 0.00 C ATOM 0 H VAL A 2 -2.062 10.551 2.597 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.402 8.410 2.224 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.236 8.185 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.636 5.812 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.967 6.272 3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.320 6.068 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.913 7.463 5.542 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.524 7.797 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.992 9.129 4.922 1.00 0.00 H new ATOM 36 N THR A 3 -4.763 7.671 1.813 1.00 0.00 N ATOM 37 CA THR A 3 -6.140 7.400 1.415 1.00 0.00 C ATOM 38 C THR A 3 -6.296 5.964 0.920 1.00 0.00 C ATOM 39 O THR A 3 -5.342 5.356 0.435 1.00 0.00 O ATOM 40 CB THR A 3 -6.575 8.380 0.323 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.470 9.716 0.779 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.998 8.165 -0.142 1.00 0.00 C ATOM 0 H THR A 3 -4.063 7.133 1.302 1.00 0.00 H new ATOM 0 HA THR A 3 -6.777 7.531 2.289 1.00 0.00 H new ATOM 0 HB THR A 3 -5.904 8.194 -0.516 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.751 10.328 0.067 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.242 8.893 -0.916 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.101 7.158 -0.546 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.679 8.289 0.700 1.00 0.00 H new ATOM 50 N GLN A 4 -7.509 5.433 1.041 1.00 0.00 N ATOM 51 CA GLN A 4 -7.804 4.070 0.604 1.00 0.00 C ATOM 52 C GLN A 4 -8.241 4.069 -0.857 1.00 0.00 C ATOM 53 O GLN A 4 -8.311 5.123 -1.491 1.00 0.00 O ATOM 54 CB GLN A 4 -8.931 3.479 1.452 1.00 0.00 C ATOM 55 CG GLN A 4 -8.692 3.572 2.950 1.00 0.00 C ATOM 56 CD GLN A 4 -9.866 3.055 3.758 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.248 1.890 3.645 1.00 0.00 O ATOM 58 NE2 GLN A 4 -10.448 3.922 4.579 1.00 0.00 N ATOM 0 H GLN A 4 -8.307 5.927 1.440 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.901 3.470 0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.861 3.993 1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.065 2.432 1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.799 3.003 3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.498 4.610 3.220 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.099 4.878 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.244 3.631 5.147 1.00 0.00 H new ATOM 67 N PHE A 5 -8.558 2.890 -1.384 1.00 0.00 N ATOM 68 CA PHE A 5 -9.013 2.777 -2.764 1.00 0.00 C ATOM 69 C PHE A 5 -10.296 1.960 -2.859 1.00 0.00 C ATOM 70 O PHE A 5 -10.457 0.950 -2.174 1.00 0.00 O ATOM 71 CB PHE A 5 -7.937 2.155 -3.655 1.00 0.00 C ATOM 72 CG PHE A 5 -6.739 3.035 -3.872 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.880 4.413 -3.975 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.474 2.483 -4.000 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.783 5.220 -4.200 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.374 3.289 -4.223 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.528 4.657 -4.325 1.00 0.00 C ATOM 0 H PHE A 5 -8.508 2.005 -0.879 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.216 3.788 -3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.609 1.216 -3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.377 1.912 -4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.859 4.858 -3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.347 1.413 -3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.906 6.290 -4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.393 2.848 -4.318 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.668 5.286 -4.502 1.00 0.00 H new ATOM 87 N LYS A 6 -11.202 2.409 -3.721 1.00 0.00 N ATOM 88 CA LYS A 6 -12.475 1.729 -3.922 1.00 0.00 C ATOM 89 C LYS A 6 -12.543 1.126 -5.321 1.00 0.00 C ATOM 90 O LYS A 6 -12.759 -0.075 -5.481 1.00 0.00 O ATOM 91 CB LYS A 6 -13.633 2.708 -3.715 1.00 0.00 C ATOM 92 CG LYS A 6 -13.663 3.329 -2.329 1.00 0.00 C ATOM 93 CD LYS A 6 -13.799 2.272 -1.244 1.00 0.00 C ATOM 94 CE LYS A 6 -13.786 2.891 0.143 1.00 0.00 C ATOM 95 NZ LYS A 6 -14.906 3.854 0.334 1.00 0.00 N ATOM 0 H LYS A 6 -11.077 3.244 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.557 0.924 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.564 3.502 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.574 2.187 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.750 3.902 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.495 4.029 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.727 1.719 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.984 1.554 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.854 2.103 0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.837 3.402 0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.975 4.112 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.729 4.709 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.798 3.415 0.027 1.00 0.00 H new ATOM 109 N THR A 7 -12.351 1.969 -6.331 1.00 0.00 N ATOM 110 CA THR A 7 -12.384 1.521 -7.718 1.00 0.00 C ATOM 111 C THR A 7 -10.976 1.469 -8.297 1.00 0.00 C ATOM 112 O THR A 7 -10.025 1.960 -7.687 1.00 0.00 O ATOM 113 CB THR A 7 -13.260 2.455 -8.556 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.757 3.779 -8.522 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.700 2.499 -8.095 1.00 0.00 C ATOM 0 H THR A 7 -12.171 2.966 -6.214 1.00 0.00 H new ATOM 0 HA THR A 7 -12.809 0.518 -7.745 1.00 0.00 H new ATOM 0 HB THR A 7 -13.232 2.048 -9.567 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.329 4.360 -9.065 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.265 3.180 -8.732 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.133 1.500 -8.157 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.741 2.849 -7.063 1.00 0.00 H new ATOM 123 N ALA A 8 -10.844 0.872 -9.477 1.00 0.00 N ATOM 124 CA ALA A 8 -9.546 0.760 -10.130 1.00 0.00 C ATOM 125 C ALA A 8 -9.167 2.059 -10.825 1.00 0.00 C ATOM 126 O ALA A 8 -7.986 2.371 -10.971 1.00 0.00 O ATOM 127 CB ALA A 8 -9.547 -0.397 -11.119 1.00 0.00 C ATOM 0 H ALA A 8 -11.618 0.460 -9.999 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.798 0.561 -9.363 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.570 -0.467 -11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.760 -1.327 -10.591 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.312 -0.227 -11.877 1.00 0.00 H new ATOM 133 N SER A 9 -10.170 2.820 -11.239 1.00 0.00 N ATOM 134 CA SER A 9 -9.932 4.093 -11.905 1.00 0.00 C ATOM 135 C SER A 9 -9.172 5.048 -10.985 1.00 0.00 C ATOM 136 O SER A 9 -8.617 6.049 -11.439 1.00 0.00 O ATOM 137 CB SER A 9 -11.258 4.725 -12.332 1.00 0.00 C ATOM 138 OG SER A 9 -11.960 3.878 -13.227 1.00 0.00 O ATOM 0 H SER A 9 -11.155 2.579 -11.126 1.00 0.00 H new ATOM 0 HA SER A 9 -9.326 3.907 -12.792 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.872 4.920 -11.453 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.070 5.687 -12.808 1.00 0.00 H new ATOM 0 HG SER A 9 -12.805 4.303 -13.484 1.00 0.00 H new ATOM 144 N GLU A 10 -9.151 4.733 -9.690 1.00 0.00 N ATOM 145 CA GLU A 10 -8.463 5.562 -8.714 1.00 0.00 C ATOM 146 C GLU A 10 -7.019 5.120 -8.542 1.00 0.00 C ATOM 147 O GLU A 10 -6.084 5.871 -8.821 1.00 0.00 O ATOM 148 CB GLU A 10 -9.189 5.509 -7.367 1.00 0.00 C ATOM 149 CG GLU A 10 -10.626 6.005 -7.430 1.00 0.00 C ATOM 150 CD GLU A 10 -10.728 7.465 -7.831 1.00 0.00 C ATOM 151 OE1 GLU A 10 -9.675 8.100 -8.044 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.865 7.974 -7.929 1.00 0.00 O ATOM 0 H GLU A 10 -9.604 3.908 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.466 6.588 -9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.183 4.482 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.638 6.109 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.184 5.398 -8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.096 5.867 -6.456 1.00 0.00 H new ATOM 159 N PHE A 11 -6.855 3.895 -8.078 1.00 0.00 N ATOM 160 CA PHE A 11 -5.533 3.322 -7.853 1.00 0.00 C ATOM 161 C PHE A 11 -4.726 3.279 -9.152 1.00 0.00 C ATOM 162 O PHE A 11 -3.496 3.258 -9.134 1.00 0.00 O ATOM 163 CB PHE A 11 -5.670 1.910 -7.271 1.00 0.00 C ATOM 164 CG PHE A 11 -4.386 1.331 -6.733 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.218 2.082 -6.699 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.352 0.031 -6.253 1.00 0.00 C ATOM 167 CE1 PHE A 11 -2.048 1.548 -6.201 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.182 -0.508 -5.753 1.00 0.00 C ATOM 169 CZ PHE A 11 -2.030 0.252 -5.728 1.00 0.00 C ATOM 0 H PHE A 11 -7.627 3.269 -7.846 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.000 3.955 -7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.409 1.930 -6.470 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.057 1.247 -8.045 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.226 3.097 -7.067 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.251 -0.568 -6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.147 2.143 -6.181 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.169 -1.522 -5.382 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.114 -0.168 -5.338 1.00 0.00 H new ATOM 179 N ASP A 12 -5.427 3.264 -10.285 1.00 0.00 N ATOM 180 CA ASP A 12 -4.771 3.220 -11.588 1.00 0.00 C ATOM 181 C ASP A 12 -3.770 4.362 -11.748 1.00 0.00 C ATOM 182 O ASP A 12 -2.595 4.132 -12.033 1.00 0.00 O ATOM 183 CB ASP A 12 -5.815 3.281 -12.708 1.00 0.00 C ATOM 184 CG ASP A 12 -5.191 3.226 -14.089 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.515 2.221 -14.395 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.378 4.188 -14.864 1.00 0.00 O ATOM 0 H ASP A 12 -6.446 3.282 -10.326 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.224 2.279 -11.654 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.513 2.451 -12.595 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.394 4.200 -12.611 1.00 0.00 H new ATOM 191 N SER A 13 -4.243 5.591 -11.570 1.00 0.00 N ATOM 192 CA SER A 13 -3.387 6.767 -11.703 1.00 0.00 C ATOM 193 C SER A 13 -2.413 6.885 -10.533 1.00 0.00 C ATOM 194 O SER A 13 -1.365 7.520 -10.653 1.00 0.00 O ATOM 195 CB SER A 13 -4.241 8.033 -11.798 1.00 0.00 C ATOM 196 OG SER A 13 -5.102 7.984 -12.922 1.00 0.00 O ATOM 0 H SER A 13 -5.213 5.800 -11.334 1.00 0.00 H new ATOM 0 HA SER A 13 -2.805 6.653 -12.617 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.831 8.146 -10.889 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.594 8.907 -11.869 1.00 0.00 H new ATOM 0 HG SER A 13 -5.638 8.803 -12.959 1.00 0.00 H new ATOM 202 N ALA A 14 -2.763 6.278 -9.404 1.00 0.00 N ATOM 203 CA ALA A 14 -1.914 6.325 -8.218 1.00 0.00 C ATOM 204 C ALA A 14 -0.502 5.830 -8.518 1.00 0.00 C ATOM 205 O ALA A 14 0.478 6.375 -8.009 1.00 0.00 O ATOM 206 CB ALA A 14 -2.533 5.508 -7.092 1.00 0.00 C ATOM 0 H ALA A 14 -3.627 5.749 -9.285 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.841 7.366 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.889 5.552 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.513 5.915 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.641 4.471 -7.411 1.00 0.00 H new ATOM 212 N ILE A 15 -0.403 4.794 -9.345 1.00 0.00 N ATOM 213 CA ILE A 15 0.891 4.229 -9.706 1.00 0.00 C ATOM 214 C ILE A 15 1.488 4.934 -10.918 1.00 0.00 C ATOM 215 O ILE A 15 2.654 5.326 -10.902 1.00 0.00 O ATOM 216 CB ILE A 15 0.793 2.712 -9.980 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.147 2.423 -11.153 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.323 1.985 -8.729 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.340 0.945 -11.422 1.00 0.00 C ATOM 0 H ILE A 15 -1.202 4.330 -9.777 1.00 0.00 H new ATOM 0 HA ILE A 15 1.550 4.384 -8.852 1.00 0.00 H new ATOM 0 HB ILE A 15 1.785 2.348 -10.249 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.117 2.877 -10.951 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.248 2.899 -12.051 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.257 0.916 -8.932 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.033 2.157 -7.920 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.658 2.360 -8.437 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.017 0.814 -12.266 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.622 0.489 -11.655 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.764 0.467 -10.539 1.00 0.00 H new ATOM 231 N ALA A 16 0.687 5.094 -11.969 1.00 0.00 N ATOM 232 CA ALA A 16 1.140 5.744 -13.197 1.00 0.00 C ATOM 233 C ALA A 16 1.961 7.000 -12.919 1.00 0.00 C ATOM 234 O ALA A 16 1.415 8.055 -12.597 1.00 0.00 O ATOM 235 CB ALA A 16 -0.050 6.078 -14.084 1.00 0.00 C ATOM 0 H ALA A 16 -0.283 4.781 -11.995 1.00 0.00 H new ATOM 0 HA ALA A 16 1.792 5.040 -13.714 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.300 6.562 -14.996 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.581 5.161 -14.341 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.723 6.750 -13.552 1.00 0.00 H new ATOM 241 N GLN A 17 3.281 6.874 -13.055 1.00 0.00 N ATOM 242 CA GLN A 17 4.195 7.992 -12.833 1.00 0.00 C ATOM 243 C GLN A 17 3.828 8.762 -11.570 1.00 0.00 C ATOM 244 O GLN A 17 3.082 9.740 -11.625 1.00 0.00 O ATOM 245 CB GLN A 17 4.183 8.934 -14.037 1.00 0.00 C ATOM 246 CG GLN A 17 4.615 8.271 -15.333 1.00 0.00 C ATOM 247 CD GLN A 17 4.597 9.227 -16.511 1.00 0.00 C ATOM 248 OE1 GLN A 17 3.556 9.784 -16.857 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.754 9.421 -17.133 1.00 0.00 N ATOM 0 H GLN A 17 3.742 6.003 -13.319 1.00 0.00 H new ATOM 0 HA GLN A 17 5.198 7.584 -12.706 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.178 9.337 -14.162 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.842 9.778 -13.834 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.620 7.867 -15.213 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.956 7.429 -15.543 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.593 8.938 -16.812 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.804 10.053 -17.932 1.00 0.00 H new ATOM 258 N ASP A 18 4.356 8.322 -10.434 1.00 0.00 N ATOM 259 CA ASP A 18 4.071 8.986 -9.172 1.00 0.00 C ATOM 260 C ASP A 18 4.997 8.493 -8.063 1.00 0.00 C ATOM 261 O ASP A 18 4.576 8.325 -6.922 1.00 0.00 O ATOM 262 CB ASP A 18 2.606 8.767 -8.779 1.00 0.00 C ATOM 263 CG ASP A 18 2.139 9.724 -7.697 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.713 9.703 -6.590 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.194 10.498 -7.962 1.00 0.00 O ATOM 0 H ASP A 18 4.977 7.516 -10.362 1.00 0.00 H new ATOM 0 HA ASP A 18 4.248 10.053 -9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.976 8.887 -9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.477 7.742 -8.432 1.00 0.00 H new ATOM 270 N LYS A 19 6.267 8.275 -8.399 1.00 0.00 N ATOM 271 CA LYS A 19 7.237 7.825 -7.415 1.00 0.00 C ATOM 272 C LYS A 19 6.844 6.458 -6.867 1.00 0.00 C ATOM 273 O LYS A 19 6.159 5.684 -7.539 1.00 0.00 O ATOM 274 CB LYS A 19 7.340 8.873 -6.299 1.00 0.00 C ATOM 275 CG LYS A 19 7.838 10.235 -6.768 1.00 0.00 C ATOM 276 CD LYS A 19 6.829 10.939 -7.663 1.00 0.00 C ATOM 277 CE LYS A 19 7.262 12.362 -7.975 1.00 0.00 C ATOM 278 NZ LYS A 19 8.576 12.401 -8.674 1.00 0.00 N ATOM 0 H LYS A 19 6.642 8.403 -9.339 1.00 0.00 H new ATOM 0 HA LYS A 19 8.216 7.716 -7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.360 8.995 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.011 8.500 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.051 10.860 -5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.776 10.110 -7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.713 10.381 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.855 10.952 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.506 12.844 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.326 12.933 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.773 13.372 -8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.325 12.090 -8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.549 11.768 -9.499 1.00 0.00 H new ATOM 292 N LEU A 20 7.285 6.157 -5.658 1.00 0.00 N ATOM 293 CA LEU A 20 6.988 4.877 -5.033 1.00 0.00 C ATOM 294 C LEU A 20 5.808 5.000 -4.078 1.00 0.00 C ATOM 295 O LEU A 20 5.879 5.697 -3.069 1.00 0.00 O ATOM 296 CB LEU A 20 8.207 4.369 -4.265 1.00 0.00 C ATOM 297 CG LEU A 20 7.987 3.062 -3.502 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.713 1.920 -4.468 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.188 2.750 -2.623 1.00 0.00 C ATOM 0 H LEU A 20 7.852 6.783 -5.087 1.00 0.00 H new ATOM 0 HA LEU A 20 6.732 4.170 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.029 4.229 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.519 5.138 -3.558 1.00 0.00 H new ATOM 0 HG LEU A 20 7.115 3.179 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.559 0.998 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.820 2.143 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.564 1.799 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.014 1.817 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.078 2.651 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.334 3.558 -1.906 1.00 0.00 H new ATOM 311 N VAL A 21 4.725 4.313 -4.414 1.00 0.00 N ATOM 312 CA VAL A 21 3.521 4.333 -3.598 1.00 0.00 C ATOM 313 C VAL A 21 3.352 3.012 -2.858 1.00 0.00 C ATOM 314 O VAL A 21 3.436 1.939 -3.455 1.00 0.00 O ATOM 315 CB VAL A 21 2.269 4.597 -4.455 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.026 4.703 -3.582 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.449 5.857 -5.289 1.00 0.00 C ATOM 0 H VAL A 21 4.657 3.733 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 21 3.631 5.143 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 21 2.135 3.753 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.155 4.890 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.885 3.771 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.146 5.524 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.555 6.028 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.612 6.709 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.309 5.738 -5.948 1.00 0.00 H new ATOM 327 N VAL A 22 3.108 3.096 -1.556 1.00 0.00 N ATOM 328 CA VAL A 22 2.922 1.905 -0.738 1.00 0.00 C ATOM 329 C VAL A 22 1.440 1.644 -0.503 1.00 0.00 C ATOM 330 O VAL A 22 0.824 2.246 0.375 1.00 0.00 O ATOM 331 CB VAL A 22 3.639 2.036 0.621 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.473 0.764 1.441 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.111 2.359 0.419 1.00 0.00 C ATOM 0 H VAL A 22 3.034 3.976 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 22 3.358 1.067 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 22 3.182 2.857 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.986 0.877 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.413 0.581 1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.901 -0.078 0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.600 2.448 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.583 1.561 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.206 3.300 -0.123 1.00 0.00 H new ATOM 343 N VAL A 23 0.874 0.746 -1.300 1.00 0.00 N ATOM 344 CA VAL A 23 -0.536 0.409 -1.181 1.00 0.00 C ATOM 345 C VAL A 23 -0.723 -0.907 -0.439 1.00 0.00 C ATOM 346 O VAL A 23 -0.140 -1.928 -0.804 1.00 0.00 O ATOM 347 CB VAL A 23 -1.209 0.323 -2.563 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.712 0.138 -2.416 1.00 0.00 C ATOM 349 CG2 VAL A 23 -0.885 1.563 -3.383 1.00 0.00 C ATOM 0 H VAL A 23 1.370 0.240 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.011 1.207 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.817 -0.546 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.170 0.079 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.913 -0.782 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.131 0.984 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.367 1.490 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.250 2.449 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.194 1.639 -3.516 1.00 0.00 H new ATOM 359 N ASP A 24 -1.534 -0.871 0.611 1.00 0.00 N ATOM 360 CA ASP A 24 -1.792 -2.056 1.418 1.00 0.00 C ATOM 361 C ASP A 24 -3.125 -2.697 1.039 1.00 0.00 C ATOM 362 O ASP A 24 -4.146 -2.017 0.947 1.00 0.00 O ATOM 363 CB ASP A 24 -1.800 -1.684 2.901 1.00 0.00 C ATOM 364 CG ASP A 24 -1.973 -2.888 3.808 1.00 0.00 C ATOM 365 OD1 ASP A 24 -1.072 -3.750 3.830 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.010 -2.964 4.498 1.00 0.00 O ATOM 0 H ASP A 24 -2.025 -0.033 0.923 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.998 -2.778 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.867 -1.179 3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.606 -0.975 3.089 1.00 0.00 H new ATOM 371 N PHE A 25 -3.108 -4.007 0.833 1.00 0.00 N ATOM 372 CA PHE A 25 -4.301 -4.746 0.478 1.00 0.00 C ATOM 373 C PHE A 25 -4.881 -5.426 1.711 1.00 0.00 C ATOM 374 O PHE A 25 -5.163 -6.625 1.699 1.00 0.00 O ATOM 375 CB PHE A 25 -3.947 -5.798 -0.569 1.00 0.00 C ATOM 376 CG PHE A 25 -3.649 -5.260 -1.937 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.684 -4.285 -2.147 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.317 -5.779 -3.025 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.397 -3.840 -3.425 1.00 0.00 C ATOM 380 CE2 PHE A 25 -4.044 -5.337 -4.300 1.00 0.00 C ATOM 381 CZ PHE A 25 -3.081 -4.368 -4.505 1.00 0.00 C ATOM 0 H PHE A 25 -2.268 -4.581 0.908 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.043 -4.058 0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.080 -6.359 -0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.774 -6.504 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.152 -3.869 -1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.065 -6.543 -2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.642 -3.083 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.583 -5.748 -5.141 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.863 -4.024 -5.505 1.00 0.00 H new ATOM 391 N TYR A 26 -5.051 -4.654 2.778 1.00 0.00 N ATOM 392 CA TYR A 26 -5.588 -5.185 4.022 1.00 0.00 C ATOM 393 C TYR A 26 -6.919 -5.896 3.794 1.00 0.00 C ATOM 394 O TYR A 26 -7.827 -5.357 3.167 1.00 0.00 O ATOM 395 CB TYR A 26 -5.738 -4.069 5.066 1.00 0.00 C ATOM 396 CG TYR A 26 -6.327 -2.773 4.536 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.567 -2.749 3.915 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.643 -1.567 4.673 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.109 -1.570 3.449 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.175 -0.389 4.214 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.412 -0.389 3.603 1.00 0.00 C ATOM 402 OH TYR A 26 -7.949 0.789 3.138 1.00 0.00 O ATOM 0 H TYR A 26 -4.825 -3.660 2.805 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.881 -5.921 4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.369 -4.433 5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.758 -3.858 5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.118 -3.670 3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.674 -1.560 5.150 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.075 -1.571 2.966 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.628 0.535 4.330 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.921 0.778 3.264 1.00 0.00 H new ATOM 412 N ALA A 27 -7.024 -7.120 4.305 1.00 0.00 N ATOM 413 CA ALA A 27 -8.245 -7.906 4.151 1.00 0.00 C ATOM 414 C ALA A 27 -9.461 -7.095 4.560 1.00 0.00 C ATOM 415 O ALA A 27 -9.363 -6.184 5.382 1.00 0.00 O ATOM 416 CB ALA A 27 -8.171 -9.182 4.975 1.00 0.00 C ATOM 0 H ALA A 27 -6.282 -7.587 4.827 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.341 -8.174 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.091 -9.752 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.323 -9.781 4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.046 -8.929 6.028 1.00 0.00 H new ATOM 422 N THR A 28 -10.609 -7.429 3.991 1.00 0.00 N ATOM 423 CA THR A 28 -11.834 -6.722 4.314 1.00 0.00 C ATOM 424 C THR A 28 -12.585 -7.416 5.451 1.00 0.00 C ATOM 425 O THR A 28 -13.795 -7.248 5.599 1.00 0.00 O ATOM 426 CB THR A 28 -12.743 -6.626 3.093 1.00 0.00 C ATOM 427 OG1 THR A 28 -13.941 -5.949 3.431 1.00 0.00 O ATOM 428 CG2 THR A 28 -13.124 -7.976 2.522 1.00 0.00 C ATOM 0 H THR A 28 -10.716 -8.180 3.309 1.00 0.00 H new ATOM 0 HA THR A 28 -11.556 -5.718 4.634 1.00 0.00 H new ATOM 0 HB THR A 28 -12.172 -6.083 2.339 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.124 -6.065 4.387 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.771 -7.835 1.656 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.223 -8.510 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.652 -8.555 3.279 1.00 0.00 H new ATOM 436 N TRP A 29 -11.865 -8.215 6.238 1.00 0.00 N ATOM 437 CA TRP A 29 -12.476 -8.952 7.340 1.00 0.00 C ATOM 438 C TRP A 29 -11.549 -9.044 8.551 1.00 0.00 C ATOM 439 O TRP A 29 -11.998 -8.905 9.690 1.00 0.00 O ATOM 440 CB TRP A 29 -12.837 -10.360 6.875 1.00 0.00 C ATOM 441 CG TRP A 29 -11.725 -11.025 6.124 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.399 -10.840 4.811 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.763 -11.947 6.651 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.310 -11.610 4.483 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.898 -12.294 5.596 1.00 0.00 C ATOM 446 CE3 TRP A 29 -10.553 -12.515 7.910 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.842 -13.184 5.762 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -9.501 -13.397 8.073 1.00 0.00 C ATOM 449 CH2 TRP A 29 -8.657 -13.723 7.005 1.00 0.00 C ATOM 0 H TRP A 29 -10.862 -8.367 6.132 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.371 -8.409 7.643 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -13.099 -10.968 7.741 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.721 -10.312 6.239 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.921 -10.184 4.130 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.878 -11.664 3.560 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.200 -12.270 8.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.192 -13.440 4.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.327 -13.842 9.041 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.843 -14.414 7.166 1.00 0.00 H new ATOM 460 N CYS A 30 -10.263 -9.304 8.300 1.00 0.00 N ATOM 461 CA CYS A 30 -9.264 -9.446 9.367 1.00 0.00 C ATOM 462 C CYS A 30 -9.605 -8.601 10.595 1.00 0.00 C ATOM 463 O CYS A 30 -10.064 -9.126 11.610 1.00 0.00 O ATOM 464 CB CYS A 30 -7.873 -9.065 8.850 1.00 0.00 C ATOM 465 SG CYS A 30 -6.558 -9.264 10.075 1.00 0.00 S ATOM 0 H CYS A 30 -9.885 -9.422 7.360 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.269 -10.493 9.671 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.640 -9.676 7.978 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.892 -8.028 8.516 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.696 -10.139 9.648 1.00 0.00 H new ATOM 471 N GLY A 31 -9.374 -7.296 10.500 1.00 0.00 N ATOM 472 CA GLY A 31 -9.659 -6.410 11.614 1.00 0.00 C ATOM 473 C GLY A 31 -8.478 -5.528 11.969 1.00 0.00 C ATOM 474 O GLY A 31 -8.443 -4.357 11.596 1.00 0.00 O ATOM 0 H GLY A 31 -8.995 -6.836 9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.515 -5.783 11.366 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.940 -7.004 12.484 1.00 0.00 H new ATOM 478 N PRO A 32 -7.481 -6.068 12.693 1.00 0.00 N ATOM 479 CA PRO A 32 -6.290 -5.311 13.087 1.00 0.00 C ATOM 480 C PRO A 32 -5.694 -4.527 11.923 1.00 0.00 C ATOM 481 O PRO A 32 -5.090 -3.472 12.115 1.00 0.00 O ATOM 482 CB PRO A 32 -5.324 -6.400 13.554 1.00 0.00 C ATOM 483 CG PRO A 32 -6.204 -7.497 14.043 1.00 0.00 C ATOM 484 CD PRO A 32 -7.437 -7.461 13.178 1.00 0.00 C ATOM 0 HA PRO A 32 -6.510 -4.562 13.848 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.684 -6.738 12.739 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.668 -6.036 14.344 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.703 -8.462 13.967 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.460 -7.353 15.093 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.369 -8.171 12.353 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.332 -7.716 13.745 1.00 0.00 H new ATOM 492 N CYS A 33 -5.877 -5.048 10.714 1.00 0.00 N ATOM 493 CA CYS A 33 -5.367 -4.398 9.513 1.00 0.00 C ATOM 494 C CYS A 33 -5.972 -3.000 9.353 1.00 0.00 C ATOM 495 O CYS A 33 -5.433 -2.160 8.635 1.00 0.00 O ATOM 496 CB CYS A 33 -5.692 -5.238 8.277 1.00 0.00 C ATOM 497 SG CYS A 33 -5.002 -6.907 8.315 1.00 0.00 S ATOM 0 H CYS A 33 -6.376 -5.921 10.540 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.286 -4.305 9.613 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.775 -5.307 8.172 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.318 -4.722 7.392 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.740 -7.665 9.070 1.00 0.00 H new ATOM 503 N LYS A 34 -7.105 -2.764 10.017 1.00 0.00 N ATOM 504 CA LYS A 34 -7.793 -1.477 9.940 1.00 0.00 C ATOM 505 C LYS A 34 -7.062 -0.400 10.739 1.00 0.00 C ATOM 506 O LYS A 34 -7.000 0.756 10.323 1.00 0.00 O ATOM 507 CB LYS A 34 -9.230 -1.615 10.449 1.00 0.00 C ATOM 508 CG LYS A 34 -10.026 -0.321 10.385 1.00 0.00 C ATOM 509 CD LYS A 34 -11.442 -0.512 10.903 1.00 0.00 C ATOM 510 CE LYS A 34 -12.236 0.783 10.841 1.00 0.00 C ATOM 511 NZ LYS A 34 -11.609 1.857 11.660 1.00 0.00 N ATOM 0 H LYS A 34 -7.565 -3.450 10.615 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.805 -1.171 8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.743 -2.377 9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.209 -1.968 11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.523 0.446 10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.059 0.037 9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.946 -1.278 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.409 -0.871 11.932 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.312 1.113 9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.252 0.604 11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.292 2.629 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.327 1.470 12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.769 2.224 11.168 1.00 0.00 H new ATOM 525 N MET A 35 -6.505 -0.785 11.883 1.00 0.00 N ATOM 526 CA MET A 35 -5.773 0.152 12.734 1.00 0.00 C ATOM 527 C MET A 35 -4.427 0.527 12.109 1.00 0.00 C ATOM 528 O MET A 35 -3.655 1.293 12.684 1.00 0.00 O ATOM 529 CB MET A 35 -5.558 -0.459 14.121 1.00 0.00 C ATOM 530 CG MET A 35 -4.857 0.467 15.102 1.00 0.00 C ATOM 531 SD MET A 35 -4.699 -0.255 16.746 1.00 0.00 S ATOM 532 CE MET A 35 -6.421 -0.508 17.171 1.00 0.00 C ATOM 0 H MET A 35 -6.545 -1.738 12.244 1.00 0.00 H new ATOM 0 HA MET A 35 -6.367 1.061 12.830 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.525 -0.745 14.535 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.973 -1.373 14.018 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.866 0.712 14.720 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.411 1.403 15.172 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.528 -0.535 18.255 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.019 0.309 16.767 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.765 -1.452 16.749 1.00 0.00 H new ATOM 542 N ILE A 36 -4.156 -0.022 10.930 1.00 0.00 N ATOM 543 CA ILE A 36 -2.914 0.236 10.216 1.00 0.00 C ATOM 544 C ILE A 36 -2.975 1.536 9.410 1.00 0.00 C ATOM 545 O ILE A 36 -1.945 2.151 9.135 1.00 0.00 O ATOM 546 CB ILE A 36 -2.598 -0.944 9.280 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.201 -2.168 10.102 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.512 -0.580 8.285 1.00 0.00 C ATOM 549 CD1 ILE A 36 -1.916 -3.389 9.266 1.00 0.00 C ATOM 0 H ILE A 36 -4.790 -0.657 10.445 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.122 0.345 10.957 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.495 -1.183 8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.317 -1.928 10.692 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.001 -2.398 10.805 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.311 -1.434 7.638 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.841 0.265 7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.603 -0.309 8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.640 -4.219 9.916 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.806 -3.655 8.695 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.095 -3.177 8.581 1.00 0.00 H new ATOM 561 N ALA A 37 -4.180 1.949 9.037 1.00 0.00 N ATOM 562 CA ALA A 37 -4.364 3.175 8.266 1.00 0.00 C ATOM 563 C ALA A 37 -3.644 4.367 8.902 1.00 0.00 C ATOM 564 O ALA A 37 -2.967 5.124 8.207 1.00 0.00 O ATOM 565 CB ALA A 37 -5.846 3.478 8.105 1.00 0.00 C ATOM 0 H ALA A 37 -5.045 1.454 9.255 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.921 3.013 7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.969 4.395 7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.331 2.653 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.301 3.604 9.088 1.00 0.00 H new ATOM 571 N PRO A 38 -3.771 4.557 10.230 1.00 0.00 N ATOM 572 CA PRO A 38 -3.112 5.668 10.919 1.00 0.00 C ATOM 573 C PRO A 38 -1.604 5.478 10.972 1.00 0.00 C ATOM 574 O PRO A 38 -0.841 6.433 10.825 1.00 0.00 O ATOM 575 CB PRO A 38 -3.720 5.645 12.322 1.00 0.00 C ATOM 576 CG PRO A 38 -4.203 4.249 12.519 1.00 0.00 C ATOM 577 CD PRO A 38 -4.547 3.710 11.155 1.00 0.00 C ATOM 0 HA PRO A 38 -3.264 6.619 10.409 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.980 5.915 13.076 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.538 6.360 12.408 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.435 3.638 12.994 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.075 4.230 13.173 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.272 2.660 11.060 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.617 3.779 10.957 1.00 0.00 H new ATOM 585 N MET A 39 -1.176 4.233 11.156 1.00 0.00 N ATOM 586 CA MET A 39 0.246 3.920 11.196 1.00 0.00 C ATOM 587 C MET A 39 0.866 4.217 9.839 1.00 0.00 C ATOM 588 O MET A 39 1.859 4.934 9.742 1.00 0.00 O ATOM 589 CB MET A 39 0.464 2.452 11.568 1.00 0.00 C ATOM 590 CG MET A 39 1.917 2.040 11.598 1.00 0.00 C ATOM 591 SD MET A 39 2.144 0.309 12.049 1.00 0.00 S ATOM 592 CE MET A 39 1.245 -0.504 10.732 1.00 0.00 C ATOM 0 H MET A 39 -1.791 3.429 11.279 1.00 0.00 H new ATOM 0 HA MET A 39 0.725 4.537 11.956 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.023 2.266 12.547 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.068 1.823 10.854 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.360 2.216 10.618 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.454 2.669 12.308 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.480 -1.568 10.734 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.174 -0.369 10.885 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.532 -0.071 9.774 1.00 0.00 H new ATOM 602 N ILE A 40 0.251 3.680 8.787 1.00 0.00 N ATOM 603 CA ILE A 40 0.720 3.902 7.425 1.00 0.00 C ATOM 604 C ILE A 40 0.895 5.395 7.152 1.00 0.00 C ATOM 605 O ILE A 40 1.717 5.797 6.328 1.00 0.00 O ATOM 606 CB ILE A 40 -0.257 3.290 6.396 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.246 1.766 6.511 1.00 0.00 C ATOM 608 CG2 ILE A 40 0.097 3.727 4.979 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.151 1.072 5.516 1.00 0.00 C ATOM 0 H ILE A 40 -0.576 3.086 8.855 1.00 0.00 H new ATOM 0 HA ILE A 40 1.686 3.408 7.322 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.262 3.652 6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.774 1.408 6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.548 1.485 7.520 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.606 3.282 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.042 4.813 4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.108 3.398 4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.090 -0.007 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.179 1.400 5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.837 1.322 4.503 1.00 0.00 H new ATOM 621 N GLU A 41 0.123 6.210 7.862 1.00 0.00 N ATOM 622 CA GLU A 41 0.196 7.657 7.715 1.00 0.00 C ATOM 623 C GLU A 41 1.418 8.203 8.446 1.00 0.00 C ATOM 624 O GLU A 41 1.985 9.222 8.056 1.00 0.00 O ATOM 625 CB GLU A 41 -1.076 8.303 8.260 1.00 0.00 C ATOM 626 CG GLU A 41 -1.090 9.820 8.146 1.00 0.00 C ATOM 627 CD GLU A 41 -2.340 10.441 8.738 1.00 0.00 C ATOM 628 OE1 GLU A 41 -3.203 9.685 9.234 1.00 0.00 O ATOM 629 OE2 GLU A 41 -2.458 11.684 8.707 1.00 0.00 O ATOM 0 H GLU A 41 -0.562 5.891 8.547 1.00 0.00 H new ATOM 0 HA GLU A 41 0.288 7.897 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.936 7.900 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.194 8.025 9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.214 10.226 8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.012 10.102 7.096 1.00 0.00 H new ATOM 636 N LYS A 42 1.816 7.510 9.509 1.00 0.00 N ATOM 637 CA LYS A 42 2.970 7.913 10.301 1.00 0.00 C ATOM 638 C LYS A 42 4.265 7.781 9.499 1.00 0.00 C ATOM 639 O LYS A 42 5.288 8.366 9.857 1.00 0.00 O ATOM 640 CB LYS A 42 3.053 7.066 11.574 1.00 0.00 C ATOM 641 CG LYS A 42 1.904 7.306 12.540 1.00 0.00 C ATOM 642 CD LYS A 42 2.016 6.421 13.771 1.00 0.00 C ATOM 643 CE LYS A 42 3.310 6.676 14.529 1.00 0.00 C ATOM 644 NZ LYS A 42 3.414 8.089 14.987 1.00 0.00 N ATOM 0 H LYS A 42 1.353 6.664 9.841 1.00 0.00 H new ATOM 0 HA LYS A 42 2.845 8.961 10.572 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.071 6.012 11.298 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.994 7.279 12.081 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.895 8.353 12.843 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.957 7.112 12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.166 6.603 14.429 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.969 5.374 13.472 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.364 6.010 15.390 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.159 6.438 13.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.219 8.184 15.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.558 8.710 14.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.538 8.361 15.477 1.00 0.00 H new ATOM 658 N PHE A 43 4.218 7.011 8.416 1.00 0.00 N ATOM 659 CA PHE A 43 5.390 6.807 7.569 1.00 0.00 C ATOM 660 C PHE A 43 5.467 7.854 6.463 1.00 0.00 C ATOM 661 O PHE A 43 6.525 8.065 5.870 1.00 0.00 O ATOM 662 CB PHE A 43 5.370 5.404 6.959 1.00 0.00 C ATOM 663 CG PHE A 43 5.542 4.307 7.971 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.646 4.167 9.018 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.599 3.416 7.874 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.800 3.159 9.949 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.759 2.407 8.804 1.00 0.00 C ATOM 668 CZ PHE A 43 5.857 2.278 9.843 1.00 0.00 C ATOM 0 H PHE A 43 3.381 6.518 8.104 1.00 0.00 H new ATOM 0 HA PHE A 43 6.274 6.912 8.198 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.426 5.258 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.163 5.329 6.215 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.818 4.854 9.107 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.305 3.511 7.063 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.094 3.060 10.760 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.588 1.720 8.719 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.979 1.489 10.571 1.00 0.00 H new ATOM 678 N SER A 44 4.345 8.511 6.189 1.00 0.00 N ATOM 679 CA SER A 44 4.297 9.537 5.156 1.00 0.00 C ATOM 680 C SER A 44 5.129 10.757 5.551 1.00 0.00 C ATOM 681 O SER A 44 5.395 11.630 4.724 1.00 0.00 O ATOM 682 CB SER A 44 2.850 9.957 4.891 1.00 0.00 C ATOM 683 OG SER A 44 2.784 10.955 3.887 1.00 0.00 O ATOM 0 H SER A 44 3.459 8.351 6.667 1.00 0.00 H new ATOM 0 HA SER A 44 4.720 9.114 4.245 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.267 9.089 4.584 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.403 10.333 5.811 1.00 0.00 H new ATOM 0 HG SER A 44 3.658 11.389 3.799 1.00 0.00 H new ATOM 689 N GLU A 45 5.536 10.817 6.817 1.00 0.00 N ATOM 690 CA GLU A 45 6.335 11.932 7.311 1.00 0.00 C ATOM 691 C GLU A 45 7.821 11.699 7.051 1.00 0.00 C ATOM 692 O GLU A 45 8.602 12.648 6.972 1.00 0.00 O ATOM 693 CB GLU A 45 6.091 12.136 8.807 1.00 0.00 C ATOM 694 CG GLU A 45 6.888 13.285 9.406 1.00 0.00 C ATOM 695 CD GLU A 45 6.559 14.621 8.767 1.00 0.00 C ATOM 696 OE1 GLU A 45 6.771 14.763 7.545 1.00 0.00 O ATOM 697 OE2 GLU A 45 6.086 15.524 9.489 1.00 0.00 O ATOM 0 H GLU A 45 5.325 10.106 7.518 1.00 0.00 H new ATOM 0 HA GLU A 45 6.030 12.830 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.029 12.318 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.343 11.217 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.690 13.340 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.953 13.083 9.289 1.00 0.00 H new ATOM 704 N GLN A 46 8.207 10.434 6.922 1.00 0.00 N ATOM 705 CA GLN A 46 9.602 10.079 6.671 1.00 0.00 C ATOM 706 C GLN A 46 9.902 10.008 5.178 1.00 0.00 C ATOM 707 O GLN A 46 10.999 10.353 4.740 1.00 0.00 O ATOM 708 CB GLN A 46 9.932 8.745 7.336 1.00 0.00 C ATOM 709 CG GLN A 46 9.742 8.763 8.841 1.00 0.00 C ATOM 710 CD GLN A 46 10.073 7.435 9.490 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.200 6.948 9.394 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.089 6.841 10.156 1.00 0.00 N ATOM 0 H GLN A 46 7.575 9.636 6.987 1.00 0.00 H new ATOM 0 HA GLN A 46 10.228 10.861 7.101 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.302 7.967 6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.965 8.480 7.110 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.372 9.540 9.273 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.709 9.026 9.069 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.171 7.282 10.209 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.252 5.944 10.614 1.00 0.00 H new ATOM 721 N TYR A 47 8.924 9.554 4.397 1.00 0.00 N ATOM 722 CA TYR A 47 9.098 9.438 2.953 1.00 0.00 C ATOM 723 C TYR A 47 8.045 10.249 2.193 1.00 0.00 C ATOM 724 O TYR A 47 7.471 9.768 1.216 1.00 0.00 O ATOM 725 CB TYR A 47 9.019 7.970 2.540 1.00 0.00 C ATOM 726 CG TYR A 47 10.022 7.089 3.250 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.377 7.169 2.960 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.609 6.184 4.217 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.294 6.368 3.613 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.519 5.379 4.875 1.00 0.00 C ATOM 731 CZ TYR A 47 11.859 5.473 4.569 1.00 0.00 C ATOM 732 OH TYR A 47 12.769 4.673 5.220 1.00 0.00 O ATOM 0 H TYR A 47 8.008 9.262 4.738 1.00 0.00 H new ATOM 0 HA TYR A 47 10.079 9.840 2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.014 7.598 2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.178 7.894 1.464 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.720 7.868 2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.559 6.107 4.459 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.345 6.442 3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.182 4.680 5.626 1.00 0.00 H new ATOM 0 HH TYR A 47 12.613 3.736 4.978 1.00 0.00 H new ATOM 742 N PRO A 48 7.770 11.493 2.634 1.00 0.00 N ATOM 743 CA PRO A 48 6.781 12.368 1.997 1.00 0.00 C ATOM 744 C PRO A 48 6.783 12.270 0.476 1.00 0.00 C ATOM 745 O PRO A 48 5.745 12.413 -0.169 1.00 0.00 O ATOM 746 CB PRO A 48 7.225 13.756 2.443 1.00 0.00 C ATOM 747 CG PRO A 48 7.839 13.548 3.787 1.00 0.00 C ATOM 748 CD PRO A 48 8.394 12.143 3.802 1.00 0.00 C ATOM 0 HA PRO A 48 5.762 12.105 2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.942 14.186 1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.380 14.443 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.629 14.277 3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.097 13.679 4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.481 12.144 3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.142 11.625 4.727 1.00 0.00 H new ATOM 756 N GLN A 49 7.955 12.021 -0.085 1.00 0.00 N ATOM 757 CA GLN A 49 8.102 11.899 -1.533 1.00 0.00 C ATOM 758 C GLN A 49 7.229 10.773 -2.070 1.00 0.00 C ATOM 759 O GLN A 49 6.642 10.885 -3.147 1.00 0.00 O ATOM 760 CB GLN A 49 9.564 11.642 -1.901 1.00 0.00 C ATOM 761 CG GLN A 49 10.503 12.762 -1.484 1.00 0.00 C ATOM 762 CD GLN A 49 11.946 12.481 -1.853 1.00 0.00 C ATOM 763 OE1 GLN A 49 12.278 12.310 -3.027 1.00 0.00 O ATOM 764 NE2 GLN A 49 12.814 12.431 -0.849 1.00 0.00 N ATOM 0 H GLN A 49 8.822 11.899 0.438 1.00 0.00 H new ATOM 0 HA GLN A 49 7.781 12.837 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.890 10.713 -1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.639 11.499 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.186 13.692 -1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.430 12.910 -0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.495 12.579 0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.799 12.245 -1.036 1.00 0.00 H new ATOM 773 N ALA A 50 7.148 9.687 -1.310 1.00 0.00 N ATOM 774 CA ALA A 50 6.349 8.534 -1.700 1.00 0.00 C ATOM 775 C ALA A 50 4.923 8.660 -1.179 1.00 0.00 C ATOM 776 O ALA A 50 4.692 9.198 -0.096 1.00 0.00 O ATOM 777 CB ALA A 50 6.992 7.256 -1.183 1.00 0.00 C ATOM 0 H ALA A 50 7.629 9.582 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 50 6.308 8.494 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.387 6.399 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.993 7.157 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.057 7.295 -0.096 1.00 0.00 H new ATOM 783 N ASP A 51 3.965 8.157 -1.953 1.00 0.00 N ATOM 784 CA ASP A 51 2.562 8.214 -1.561 1.00 0.00 C ATOM 785 C ASP A 51 2.175 6.977 -0.761 1.00 0.00 C ATOM 786 O ASP A 51 2.722 5.894 -0.969 1.00 0.00 O ATOM 787 CB ASP A 51 1.665 8.338 -2.794 1.00 0.00 C ATOM 788 CG ASP A 51 1.931 9.608 -3.581 1.00 0.00 C ATOM 789 OD1 ASP A 51 2.823 10.384 -3.177 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.244 9.827 -4.601 1.00 0.00 O ATOM 0 H ASP A 51 4.135 7.707 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 51 2.423 9.094 -0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.820 7.474 -3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.621 8.319 -2.483 1.00 0.00 H new ATOM 795 N PHE A 52 1.231 7.143 0.160 1.00 0.00 N ATOM 796 CA PHE A 52 0.775 6.037 0.993 1.00 0.00 C ATOM 797 C PHE A 52 -0.731 5.839 0.861 1.00 0.00 C ATOM 798 O PHE A 52 -1.517 6.486 1.552 1.00 0.00 O ATOM 799 CB PHE A 52 1.148 6.285 2.455 1.00 0.00 C ATOM 800 CG PHE A 52 2.630 6.363 2.691 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.392 7.340 2.071 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.260 5.459 3.530 1.00 0.00 C ATOM 803 CE1 PHE A 52 4.756 7.413 2.285 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.623 5.527 3.747 1.00 0.00 C ATOM 805 CZ PHE A 52 5.372 6.506 3.125 1.00 0.00 C ATOM 0 H PHE A 52 0.768 8.032 0.348 1.00 0.00 H new ATOM 0 HA PHE A 52 1.270 5.128 0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.686 7.215 2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.732 5.486 3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.915 8.052 1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.679 4.692 4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.339 8.179 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.102 4.815 4.403 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.437 6.562 3.295 1.00 0.00 H new ATOM 815 N TYR A 53 -1.124 4.936 -0.032 1.00 0.00 N ATOM 816 CA TYR A 53 -2.535 4.643 -0.262 1.00 0.00 C ATOM 817 C TYR A 53 -2.903 3.267 0.282 1.00 0.00 C ATOM 818 O TYR A 53 -2.037 2.513 0.724 1.00 0.00 O ATOM 819 CB TYR A 53 -2.849 4.702 -1.757 1.00 0.00 C ATOM 820 CG TYR A 53 -2.919 6.105 -2.317 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.979 6.945 -2.001 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.932 6.586 -3.167 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.054 8.224 -2.516 1.00 0.00 C ATOM 824 CE2 TYR A 53 -1.997 7.866 -3.685 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.061 8.680 -3.357 1.00 0.00 C ATOM 826 OH TYR A 53 -3.132 9.954 -3.873 1.00 0.00 O ATOM 0 H TYR A 53 -0.483 4.393 -0.610 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.124 5.394 0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.087 4.143 -2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.801 4.202 -1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.758 6.592 -1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.099 5.949 -3.428 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.886 8.864 -2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.220 8.226 -4.342 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.354 10.119 -4.446 1.00 0.00 H new ATOM 836 N LYS A 54 -4.192 2.946 0.243 1.00 0.00 N ATOM 837 CA LYS A 54 -4.672 1.653 0.724 1.00 0.00 C ATOM 838 C LYS A 54 -5.459 0.952 -0.380 1.00 0.00 C ATOM 839 O LYS A 54 -5.889 1.589 -1.342 1.00 0.00 O ATOM 840 CB LYS A 54 -5.562 1.815 1.966 1.00 0.00 C ATOM 841 CG LYS A 54 -5.344 3.112 2.733 1.00 0.00 C ATOM 842 CD LYS A 54 -3.961 3.200 3.354 1.00 0.00 C ATOM 843 CE LYS A 54 -3.768 2.173 4.452 1.00 0.00 C ATOM 844 NZ LYS A 54 -3.369 0.841 3.912 1.00 0.00 N ATOM 0 H LYS A 54 -4.922 3.561 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.806 1.052 1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.606 1.760 1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.383 0.976 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.490 3.957 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.096 3.196 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.206 3.052 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.809 4.200 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.005 2.525 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.693 2.071 5.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.752 0.359 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.219 0.265 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.858 0.969 3.015 1.00 0.00 H new ATOM 858 N LEU A 55 -5.649 -0.354 -0.242 1.00 0.00 N ATOM 859 CA LEU A 55 -6.389 -1.121 -1.237 1.00 0.00 C ATOM 860 C LEU A 55 -7.507 -1.921 -0.572 1.00 0.00 C ATOM 861 O LEU A 55 -7.249 -2.893 0.138 1.00 0.00 O ATOM 862 CB LEU A 55 -5.443 -2.058 -1.996 1.00 0.00 C ATOM 863 CG LEU A 55 -6.024 -2.686 -3.266 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.186 -3.610 -2.934 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.467 -1.602 -4.238 1.00 0.00 C ATOM 0 H LEU A 55 -5.303 -0.903 0.545 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.837 -0.426 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.545 -1.502 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.134 -2.858 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.243 -3.281 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.581 -4.043 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.840 -4.408 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.971 -3.042 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.878 -2.064 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.230 -0.981 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.611 -0.983 -4.508 1.00 0.00 H new ATOM 877 N ASP A 56 -8.749 -1.500 -0.800 1.00 0.00 N ATOM 878 CA ASP A 56 -9.904 -2.174 -0.216 1.00 0.00 C ATOM 879 C ASP A 56 -10.020 -3.600 -0.748 1.00 0.00 C ATOM 880 O ASP A 56 -10.303 -3.809 -1.927 1.00 0.00 O ATOM 881 CB ASP A 56 -11.191 -1.405 -0.527 1.00 0.00 C ATOM 882 CG ASP A 56 -12.339 -1.821 0.370 1.00 0.00 C ATOM 883 OD1 ASP A 56 -12.698 -3.017 0.357 1.00 0.00 O ATOM 884 OD2 ASP A 56 -12.879 -0.951 1.085 1.00 0.00 O ATOM 0 H ASP A 56 -8.980 -0.696 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.762 -2.208 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.010 -0.336 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.468 -1.570 -1.568 1.00 0.00 H new ATOM 889 N VAL A 57 -9.802 -4.577 0.125 1.00 0.00 N ATOM 890 CA VAL A 57 -9.885 -5.978 -0.268 1.00 0.00 C ATOM 891 C VAL A 57 -11.324 -6.395 -0.580 1.00 0.00 C ATOM 892 O VAL A 57 -11.558 -7.466 -1.140 1.00 0.00 O ATOM 893 CB VAL A 57 -9.276 -6.901 0.813 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.587 -8.365 0.524 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.769 -6.687 0.874 1.00 0.00 C ATOM 0 H VAL A 57 -9.567 -4.425 1.106 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.300 -6.088 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.720 -6.648 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.146 -8.991 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.667 -8.512 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.170 -8.641 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.340 -7.338 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.329 -6.923 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.559 -5.647 1.124 1.00 0.00 H new ATOM 905 N ASP A 58 -12.288 -5.540 -0.240 1.00 0.00 N ATOM 906 CA ASP A 58 -13.690 -5.832 -0.518 1.00 0.00 C ATOM 907 C ASP A 58 -14.146 -5.098 -1.773 1.00 0.00 C ATOM 908 O ASP A 58 -14.576 -5.712 -2.748 1.00 0.00 O ATOM 909 CB ASP A 58 -14.577 -5.434 0.664 1.00 0.00 C ATOM 910 CG ASP A 58 -16.056 -5.612 0.377 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.566 -4.946 -0.549 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.705 -6.416 1.078 1.00 0.00 O ATOM 0 H ASP A 58 -12.124 -4.647 0.225 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.784 -6.906 -0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.306 -6.033 1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.385 -4.393 0.922 1.00 0.00 H new ATOM 917 N GLU A 59 -14.052 -3.774 -1.727 1.00 0.00 N ATOM 918 CA GLU A 59 -14.453 -2.930 -2.844 1.00 0.00 C ATOM 919 C GLU A 59 -13.755 -3.373 -4.130 1.00 0.00 C ATOM 920 O GLU A 59 -14.386 -3.499 -5.179 1.00 0.00 O ATOM 921 CB GLU A 59 -14.121 -1.467 -2.533 1.00 0.00 C ATOM 922 CG GLU A 59 -15.140 -0.472 -3.072 1.00 0.00 C ATOM 923 CD GLU A 59 -15.429 -0.651 -4.550 1.00 0.00 C ATOM 924 OE1 GLU A 59 -15.939 -1.723 -4.930 1.00 0.00 O ATOM 925 OE2 GLU A 59 -15.157 0.291 -5.325 1.00 0.00 O ATOM 0 H GLU A 59 -13.698 -3.259 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.529 -3.027 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.045 -1.344 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.142 -1.231 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.069 -0.575 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.775 0.541 -2.900 1.00 0.00 H new ATOM 932 N LEU A 60 -12.453 -3.625 -4.040 1.00 0.00 N ATOM 933 CA LEU A 60 -11.683 -4.068 -5.195 1.00 0.00 C ATOM 934 C LEU A 60 -11.849 -5.560 -5.414 1.00 0.00 C ATOM 935 O LEU A 60 -12.445 -6.001 -6.396 1.00 0.00 O ATOM 936 CB LEU A 60 -10.199 -3.731 -5.025 1.00 0.00 C ATOM 937 CG LEU A 60 -9.845 -2.255 -5.121 1.00 0.00 C ATOM 938 CD1 LEU A 60 -10.223 -1.747 -6.486 1.00 0.00 C ATOM 939 CD2 LEU A 60 -10.540 -1.456 -4.027 1.00 0.00 C ATOM 0 H LEU A 60 -11.911 -3.530 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.064 -3.539 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.869 -4.103 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.633 -4.272 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.772 -2.132 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.972 -0.689 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.677 -2.305 -7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.294 -1.878 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.270 -0.404 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.620 -1.564 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.228 -1.828 -3.051 1.00 0.00 H new ATOM 951 N GLY A 61 -11.316 -6.319 -4.483 1.00 0.00 N ATOM 952 CA GLY A 61 -11.396 -7.767 -4.555 1.00 0.00 C ATOM 953 C GLY A 61 -10.556 -8.339 -5.681 1.00 0.00 C ATOM 954 O GLY A 61 -9.597 -9.070 -5.438 1.00 0.00 O ATOM 0 H GLY A 61 -10.822 -5.961 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.067 -8.194 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.435 -8.064 -4.694 1.00 0.00 H new ATOM 958 N ASP A 62 -10.920 -8.006 -6.914 1.00 0.00 N ATOM 959 CA ASP A 62 -10.198 -8.490 -8.085 1.00 0.00 C ATOM 960 C ASP A 62 -8.721 -8.111 -8.024 1.00 0.00 C ATOM 961 O ASP A 62 -7.871 -8.812 -8.572 1.00 0.00 O ATOM 962 CB ASP A 62 -10.823 -7.937 -9.355 1.00 0.00 C ATOM 963 CG ASP A 62 -12.268 -8.363 -9.529 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.782 -9.096 -8.657 1.00 0.00 O ATOM 965 OD2 ASP A 62 -12.885 -7.966 -10.541 1.00 0.00 O ATOM 0 H ASP A 62 -11.713 -7.401 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.269 -9.578 -8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.769 -6.848 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.244 -8.271 -10.216 1.00 0.00 H new ATOM 970 N VAL A 63 -8.422 -6.999 -7.358 1.00 0.00 N ATOM 971 CA VAL A 63 -7.044 -6.537 -7.235 1.00 0.00 C ATOM 972 C VAL A 63 -6.268 -7.425 -6.261 1.00 0.00 C ATOM 973 O VAL A 63 -5.217 -7.964 -6.604 1.00 0.00 O ATOM 974 CB VAL A 63 -6.980 -5.066 -6.774 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.563 -4.527 -6.887 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.945 -4.210 -7.583 1.00 0.00 C ATOM 0 H VAL A 63 -9.111 -6.405 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.585 -6.602 -8.222 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.278 -5.023 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.541 -3.488 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.897 -5.121 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.233 -4.585 -7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.886 -3.176 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.679 -4.261 -8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.961 -4.579 -7.446 1.00 0.00 H new ATOM 986 N ALA A 64 -6.806 -7.607 -5.057 1.00 0.00 N ATOM 987 CA ALA A 64 -6.168 -8.471 -4.063 1.00 0.00 C ATOM 988 C ALA A 64 -5.963 -9.866 -4.646 1.00 0.00 C ATOM 989 O ALA A 64 -5.082 -10.610 -4.218 1.00 0.00 O ATOM 990 CB ALA A 64 -7.017 -8.542 -2.803 1.00 0.00 C ATOM 0 H ALA A 64 -7.675 -7.172 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.197 -8.052 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.530 -9.188 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.131 -7.542 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.999 -8.947 -3.048 1.00 0.00 H new ATOM 996 N GLN A 65 -6.790 -10.208 -5.636 1.00 0.00 N ATOM 997 CA GLN A 65 -6.713 -11.504 -6.293 1.00 0.00 C ATOM 998 C GLN A 65 -5.774 -11.457 -7.498 1.00 0.00 C ATOM 999 O GLN A 65 -5.032 -12.407 -7.750 1.00 0.00 O ATOM 1000 CB GLN A 65 -8.105 -11.958 -6.736 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.114 -13.312 -7.426 1.00 0.00 C ATOM 1002 CD GLN A 65 -9.504 -13.735 -7.861 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -10.408 -13.879 -7.039 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -9.679 -13.937 -9.162 1.00 0.00 N ATOM 0 H GLN A 65 -7.523 -9.598 -5.998 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.313 -12.220 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.759 -12.000 -5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.523 -11.212 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.460 -13.276 -8.297 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.704 -14.063 -6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.900 -13.806 -9.808 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.592 -14.224 -9.515 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.810 -10.353 -8.248 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.957 -10.214 -9.427 1.00 0.00 C ATOM 1015 C LYS A 66 -3.487 -10.315 -9.029 1.00 0.00 C ATOM 1016 O LYS A 66 -2.718 -11.061 -9.635 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.229 -8.889 -10.160 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.498 -7.682 -9.586 1.00 0.00 C ATOM 1019 CD LYS A 66 -4.758 -6.435 -10.417 1.00 0.00 C ATOM 1020 CE LYS A 66 -3.960 -5.242 -9.911 1.00 0.00 C ATOM 1021 NZ LYS A 66 -2.492 -5.444 -10.061 1.00 0.00 N ATOM 0 H LYS A 66 -6.413 -9.552 -8.062 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.193 -11.027 -10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.946 -9.004 -11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.301 -8.691 -10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.822 -7.512 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.427 -7.884 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.499 -6.631 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.822 -6.197 -10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.260 -4.348 -10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.196 -5.068 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.985 -4.654 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.216 -6.337 -9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.248 -5.483 -11.071 1.00 0.00 H new ATOM 1035 N ASN A 67 -3.111 -9.569 -7.995 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.751 -9.578 -7.496 1.00 0.00 C ATOM 1037 C ASN A 67 -1.487 -10.827 -6.655 1.00 0.00 C ATOM 1038 O ASN A 67 -0.360 -11.065 -6.220 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.516 -8.325 -6.661 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.613 -7.055 -7.482 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.855 -6.857 -8.432 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.549 -6.186 -7.120 1.00 0.00 N ATOM 0 H ASN A 67 -3.740 -8.947 -7.486 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.064 -9.591 -8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.247 -8.288 -5.853 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.531 -8.380 -6.198 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.662 -5.313 -7.636 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.156 -6.391 -6.326 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.535 -11.621 -6.432 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.425 -12.844 -5.649 1.00 0.00 C ATOM 1051 C GLU A 68 -2.103 -12.536 -4.191 1.00 0.00 C ATOM 1052 O GLU A 68 -1.283 -13.215 -3.572 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.356 -13.765 -6.240 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.624 -14.157 -7.683 1.00 0.00 C ATOM 1055 CD GLU A 68 -0.547 -15.062 -8.251 1.00 0.00 C ATOM 1056 OE1 GLU A 68 -0.343 -16.161 -7.695 1.00 0.00 O ATOM 1057 OE2 GLU A 68 0.089 -14.671 -9.252 1.00 0.00 O ATOM 0 H GLU A 68 -3.473 -11.434 -6.786 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.389 -13.352 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.387 -13.269 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.290 -14.668 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.588 -14.662 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.696 -13.257 -8.293 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.752 -11.511 -3.642 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.525 -11.130 -2.256 1.00 0.00 C ATOM 1066 C VAL A 69 -3.772 -11.363 -1.411 1.00 0.00 C ATOM 1067 O VAL A 69 -4.579 -10.453 -1.216 1.00 0.00 O ATOM 1068 CB VAL A 69 -2.108 -9.652 -2.144 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.824 -9.285 -0.696 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.897 -9.370 -3.021 1.00 0.00 C ATOM 0 H VAL A 69 -3.434 -10.935 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.716 -11.757 -1.882 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.934 -9.033 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.531 -8.237 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.721 -9.445 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.016 -9.910 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.617 -8.321 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.064 -9.997 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.141 -9.590 -4.060 1.00 0.00 H new ATOM 1080 N SER A 70 -3.924 -12.583 -0.905 1.00 0.00 N ATOM 1081 CA SER A 70 -5.072 -12.923 -0.077 1.00 0.00 C ATOM 1082 C SER A 70 -4.764 -12.691 1.400 1.00 0.00 C ATOM 1083 O SER A 70 -5.675 -12.518 2.210 1.00 0.00 O ATOM 1084 CB SER A 70 -5.489 -14.375 -0.302 1.00 0.00 C ATOM 1085 OG SER A 70 -4.463 -15.269 0.092 1.00 0.00 O ATOM 0 H SER A 70 -3.268 -13.349 -1.054 1.00 0.00 H new ATOM 0 HA SER A 70 -5.898 -12.273 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.397 -14.587 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.725 -14.529 -1.355 1.00 0.00 H new ATOM 0 HG SER A 70 -4.756 -16.191 -0.061 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.477 -12.677 1.747 1.00 0.00 N ATOM 1092 CA ALA A 71 -3.063 -12.451 3.128 1.00 0.00 C ATOM 1093 C ALA A 71 -3.647 -11.144 3.647 1.00 0.00 C ATOM 1094 O ALA A 71 -4.454 -10.510 2.967 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.545 -12.436 3.231 1.00 0.00 C ATOM 0 H ALA A 71 -2.708 -12.819 1.093 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.441 -13.267 3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.252 -12.266 4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.148 -13.393 2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.146 -11.637 2.606 1.00 0.00 H new ATOM 1101 N MET A 72 -3.254 -10.735 4.848 1.00 0.00 N ATOM 1102 CA MET A 72 -3.780 -9.498 5.410 1.00 0.00 C ATOM 1103 C MET A 72 -3.092 -9.089 6.716 1.00 0.00 C ATOM 1104 O MET A 72 -3.134 -9.812 7.706 1.00 0.00 O ATOM 1105 CB MET A 72 -5.293 -9.631 5.615 1.00 0.00 C ATOM 1106 CG MET A 72 -5.751 -11.012 6.084 1.00 0.00 C ATOM 1107 SD MET A 72 -5.310 -11.372 7.795 1.00 0.00 S ATOM 1108 CE MET A 72 -5.913 -13.050 7.956 1.00 0.00 C ATOM 0 H MET A 72 -2.587 -11.230 5.440 1.00 0.00 H new ATOM 0 HA MET A 72 -3.569 -8.702 4.695 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.614 -8.888 6.345 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.796 -9.395 4.677 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.833 -11.085 5.973 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.312 -11.771 5.436 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.793 -13.060 8.599 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.178 -13.437 6.972 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.135 -13.676 8.394 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.450 -7.902 6.741 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.362 -6.994 5.592 1.00 0.00 C ATOM 1120 C PRO A 73 -1.220 -7.368 4.648 1.00 0.00 C ATOM 1121 O PRO A 73 -0.500 -8.334 4.892 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.070 -5.658 6.259 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.212 -6.033 7.411 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.744 -7.350 7.914 1.00 0.00 C ATOM 0 HA PRO A 73 -3.260 -7.009 4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.559 -4.974 5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.985 -5.162 6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.169 -6.124 7.107 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.252 -5.273 8.191 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.941 -8.008 8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.416 -7.215 8.761 1.00 0.00 H new ATOM 1132 N THR A 74 -1.051 -6.590 3.582 1.00 0.00 N ATOM 1133 CA THR A 74 0.016 -6.834 2.614 1.00 0.00 C ATOM 1134 C THR A 74 0.519 -5.519 2.033 1.00 0.00 C ATOM 1135 O THR A 74 -0.257 -4.597 1.812 1.00 0.00 O ATOM 1136 CB THR A 74 -0.469 -7.728 1.478 1.00 0.00 C ATOM 1137 OG1 THR A 74 -1.035 -8.930 1.983 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.640 -8.088 0.505 1.00 0.00 C ATOM 0 H THR A 74 -1.639 -5.785 3.366 1.00 0.00 H new ATOM 0 HA THR A 74 0.828 -7.336 3.139 1.00 0.00 H new ATOM 0 HB THR A 74 -1.224 -7.151 0.944 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.012 -8.881 1.926 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.240 -8.725 -0.283 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.047 -7.178 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.431 -8.619 1.035 1.00 0.00 H new ATOM 1146 N LEU A 75 1.820 -5.436 1.780 1.00 0.00 N ATOM 1147 CA LEU A 75 2.403 -4.220 1.226 1.00 0.00 C ATOM 1148 C LEU A 75 2.852 -4.414 -0.219 1.00 0.00 C ATOM 1149 O LEU A 75 3.647 -5.303 -0.523 1.00 0.00 O ATOM 1150 CB LEU A 75 3.586 -3.764 2.076 1.00 0.00 C ATOM 1151 CG LEU A 75 3.244 -3.411 3.523 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.479 -2.910 4.249 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.136 -2.369 3.570 1.00 0.00 C ATOM 0 H LEU A 75 2.487 -6.190 1.948 1.00 0.00 H new ATOM 0 HA LEU A 75 1.628 -3.453 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.338 -4.553 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.040 -2.893 1.603 1.00 0.00 H new ATOM 0 HG LEU A 75 2.889 -4.311 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.220 -2.662 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.244 -3.686 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.861 -2.021 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.905 -2.130 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.463 -1.467 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.245 -2.763 3.082 1.00 0.00 H new ATOM 1165 N LEU A 76 2.343 -3.559 -1.098 1.00 0.00 N ATOM 1166 CA LEU A 76 2.689 -3.606 -2.513 1.00 0.00 C ATOM 1167 C LEU A 76 3.345 -2.297 -2.946 1.00 0.00 C ATOM 1168 O LEU A 76 2.809 -1.215 -2.708 1.00 0.00 O ATOM 1169 CB LEU A 76 1.442 -3.890 -3.357 1.00 0.00 C ATOM 1170 CG LEU A 76 0.887 -5.314 -3.233 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.202 -5.557 -4.266 1.00 0.00 C ATOM 1172 CD2 LEU A 76 2.005 -6.339 -3.382 1.00 0.00 C ATOM 0 H LEU A 76 1.684 -2.820 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 76 3.403 -4.415 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.661 -3.185 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.678 -3.698 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 76 0.449 -5.425 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.583 -6.573 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.015 -4.847 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.210 -5.425 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.592 -7.344 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.474 -6.226 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.750 -6.181 -2.602 1.00 0.00 H new ATOM 1184 N LEU A 77 4.516 -2.402 -3.572 1.00 0.00 N ATOM 1185 CA LEU A 77 5.252 -1.224 -4.023 1.00 0.00 C ATOM 1186 C LEU A 77 5.242 -1.116 -5.545 1.00 0.00 C ATOM 1187 O LEU A 77 5.467 -2.102 -6.250 1.00 0.00 O ATOM 1188 CB LEU A 77 6.694 -1.270 -3.510 1.00 0.00 C ATOM 1189 CG LEU A 77 6.845 -1.207 -1.988 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.194 -2.413 -1.331 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.313 -1.116 -1.604 1.00 0.00 C ATOM 0 H LEU A 77 4.974 -3.290 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 77 4.756 -0.343 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.161 -2.187 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.246 -0.439 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 77 6.338 -0.311 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.314 -2.347 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.133 -2.433 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.668 -3.325 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.403 -1.072 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.842 -1.993 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.748 -0.217 -2.041 1.00 0.00 H new ATOM 1203 N PHE A 78 4.968 0.090 -6.040 1.00 0.00 N ATOM 1204 CA PHE A 78 4.905 0.344 -7.477 1.00 0.00 C ATOM 1205 C PHE A 78 5.671 1.617 -7.846 1.00 0.00 C ATOM 1206 O PHE A 78 5.440 2.676 -7.262 1.00 0.00 O ATOM 1207 CB PHE A 78 3.442 0.482 -7.901 1.00 0.00 C ATOM 1208 CG PHE A 78 2.585 -0.671 -7.457 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.714 -1.920 -8.045 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.659 -0.507 -6.440 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.932 -2.982 -7.626 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.876 -1.565 -6.018 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.012 -2.802 -6.612 1.00 0.00 C ATOM 0 H PHE A 78 4.785 0.911 -5.462 1.00 0.00 H new ATOM 0 HA PHE A 78 5.368 -0.494 -7.999 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.037 1.407 -7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.392 0.567 -8.987 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.432 -2.066 -8.838 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.547 0.459 -5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.041 -3.950 -8.091 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.158 -1.423 -5.224 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.400 -3.629 -6.285 1.00 0.00 H new ATOM 1223 N LYS A 79 6.578 1.516 -8.819 1.00 0.00 N ATOM 1224 CA LYS A 79 7.362 2.675 -9.255 1.00 0.00 C ATOM 1225 C LYS A 79 6.948 3.137 -10.652 1.00 0.00 C ATOM 1226 O LYS A 79 6.914 2.344 -11.592 1.00 0.00 O ATOM 1227 CB LYS A 79 8.858 2.344 -9.245 1.00 0.00 C ATOM 1228 CG LYS A 79 9.521 2.516 -7.885 1.00 0.00 C ATOM 1229 CD LYS A 79 9.557 3.976 -7.460 1.00 0.00 C ATOM 1230 CE LYS A 79 10.297 4.839 -8.471 1.00 0.00 C ATOM 1231 NZ LYS A 79 11.694 4.369 -8.687 1.00 0.00 N ATOM 0 H LYS A 79 6.788 0.651 -9.317 1.00 0.00 H new ATOM 0 HA LYS A 79 7.166 3.486 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.994 1.315 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.366 2.982 -9.969 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.980 1.933 -7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.537 2.122 -7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.538 4.346 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.041 4.060 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.760 4.828 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.311 5.872 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.210 5.066 -9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.169 4.258 -7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.680 3.455 -9.183 1.00 0.00 H new ATOM 1245 N ASN A 80 6.642 4.431 -10.786 1.00 0.00 N ATOM 1246 CA ASN A 80 6.241 5.001 -12.073 1.00 0.00 C ATOM 1247 C ASN A 80 5.218 4.119 -12.792 1.00 0.00 C ATOM 1248 O ASN A 80 5.428 3.709 -13.932 1.00 0.00 O ATOM 1249 CB ASN A 80 7.470 5.205 -12.962 1.00 0.00 C ATOM 1250 CG ASN A 80 8.482 6.148 -12.341 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.000 5.892 -11.254 1.00 0.00 O ATOM 1252 ND2 ASN A 80 8.770 7.246 -13.030 1.00 0.00 N ATOM 0 H ASN A 80 6.665 5.102 -10.018 1.00 0.00 H new ATOM 0 HA ASN A 80 5.769 5.963 -11.875 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.943 4.241 -13.150 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.155 5.599 -13.928 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.444 7.917 -12.662 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.317 7.419 -13.927 1.00 0.00 H new ATOM 1259 N GLY A 81 4.107 3.844 -12.120 1.00 0.00 N ATOM 1260 CA GLY A 81 3.060 3.023 -12.701 1.00 0.00 C ATOM 1261 C GLY A 81 3.518 1.614 -13.029 1.00 0.00 C ATOM 1262 O GLY A 81 2.835 0.887 -13.750 1.00 0.00 O ATOM 0 H GLY A 81 3.911 4.177 -11.176 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.220 2.973 -12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.695 3.501 -13.610 1.00 0.00 H new ATOM 1266 N LYS A 82 4.670 1.225 -12.498 1.00 0.00 N ATOM 1267 CA LYS A 82 5.211 -0.105 -12.734 1.00 0.00 C ATOM 1268 C LYS A 82 5.178 -0.918 -11.445 1.00 0.00 C ATOM 1269 O LYS A 82 4.360 -0.663 -10.561 1.00 0.00 O ATOM 1270 CB LYS A 82 6.643 -0.006 -13.276 1.00 0.00 C ATOM 1271 CG LYS A 82 6.769 0.862 -14.517 1.00 0.00 C ATOM 1272 CD LYS A 82 5.906 0.338 -15.654 1.00 0.00 C ATOM 1273 CE LYS A 82 6.031 1.212 -16.892 1.00 0.00 C ATOM 1274 NZ LYS A 82 7.434 1.274 -17.390 1.00 0.00 N ATOM 0 H LYS A 82 5.248 1.814 -11.899 1.00 0.00 H new ATOM 0 HA LYS A 82 4.597 -0.611 -13.479 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.290 0.395 -12.496 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.005 -1.008 -13.506 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.476 1.884 -14.278 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.811 0.895 -14.835 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.201 -0.683 -15.896 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.864 0.302 -15.336 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.384 0.823 -17.678 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.683 2.219 -16.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.446 1.689 -18.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.004 1.863 -16.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.833 0.314 -17.425 1.00 0.00 H new ATOM 1288 N GLU A 83 6.066 -1.888 -11.343 1.00 0.00 N ATOM 1289 CA GLU A 83 6.144 -2.735 -10.163 1.00 0.00 C ATOM 1290 C GLU A 83 7.406 -2.398 -9.374 1.00 0.00 C ATOM 1291 O GLU A 83 8.240 -1.621 -9.839 1.00 0.00 O ATOM 1292 CB GLU A 83 6.142 -4.209 -10.587 1.00 0.00 C ATOM 1293 CG GLU A 83 6.157 -5.196 -9.429 1.00 0.00 C ATOM 1294 CD GLU A 83 6.015 -6.633 -9.888 1.00 0.00 C ATOM 1295 OE1 GLU A 83 4.983 -6.957 -10.514 1.00 0.00 O ATOM 1296 OE2 GLU A 83 6.934 -7.436 -9.621 1.00 0.00 O ATOM 0 H GLU A 83 6.749 -2.112 -12.067 1.00 0.00 H new ATOM 0 HA GLU A 83 5.279 -2.558 -9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.259 -4.398 -11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.011 -4.394 -11.218 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.089 -5.086 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.346 -4.956 -8.741 1.00 0.00 H new ATOM 1303 N VAL A 84 7.535 -2.959 -8.178 1.00 0.00 N ATOM 1304 CA VAL A 84 8.696 -2.696 -7.341 1.00 0.00 C ATOM 1305 C VAL A 84 9.108 -3.936 -6.559 1.00 0.00 C ATOM 1306 O VAL A 84 10.178 -4.500 -6.791 1.00 0.00 O ATOM 1307 CB VAL A 84 8.436 -1.549 -6.369 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.662 -1.263 -5.513 1.00 0.00 C ATOM 1309 CG2 VAL A 84 7.997 -0.306 -7.122 1.00 0.00 C ATOM 0 H VAL A 84 6.852 -3.596 -7.768 1.00 0.00 H new ATOM 0 HA VAL A 84 9.508 -2.413 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 84 7.630 -1.848 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.446 -0.441 -4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.920 -2.153 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.499 -0.990 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.816 0.503 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.779 -0.009 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.081 -0.519 -7.673 1.00 0.00 H new ATOM 1319 N ALA A 85 8.256 -4.358 -5.632 1.00 0.00 N ATOM 1320 CA ALA A 85 8.545 -5.534 -4.821 1.00 0.00 C ATOM 1321 C ALA A 85 7.332 -5.962 -4.005 1.00 0.00 C ATOM 1322 O ALA A 85 6.401 -5.186 -3.800 1.00 0.00 O ATOM 1323 CB ALA A 85 9.729 -5.263 -3.906 1.00 0.00 C ATOM 0 H ALA A 85 7.365 -3.907 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 85 8.796 -6.352 -5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.935 -6.149 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.605 -5.020 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.497 -4.425 -3.249 1.00 0.00 H new ATOM 1329 N LYS A 86 7.359 -7.205 -3.538 1.00 0.00 N ATOM 1330 CA LYS A 86 6.270 -7.747 -2.735 1.00 0.00 C ATOM 1331 C LYS A 86 6.744 -8.096 -1.337 1.00 0.00 C ATOM 1332 O LYS A 86 7.741 -8.796 -1.166 1.00 0.00 O ATOM 1333 CB LYS A 86 5.681 -8.990 -3.398 1.00 0.00 C ATOM 1334 CG LYS A 86 4.839 -8.674 -4.614 1.00 0.00 C ATOM 1335 CD LYS A 86 4.340 -9.938 -5.293 1.00 0.00 C ATOM 1336 CE LYS A 86 3.506 -9.620 -6.523 1.00 0.00 C ATOM 1337 NZ LYS A 86 3.019 -10.854 -7.203 1.00 0.00 N ATOM 0 H LYS A 86 8.125 -7.858 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 86 5.500 -6.979 -2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.492 -9.658 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.071 -9.527 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.989 -8.059 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.426 -8.088 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.190 -10.558 -5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.744 -10.519 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.654 -9.005 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.101 -9.032 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.455 -10.592 -8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.832 -11.429 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.430 -11.403 -6.545 1.00 0.00 H new ATOM 1351 N VAL A 87 6.020 -7.611 -0.339 1.00 0.00 N ATOM 1352 CA VAL A 87 6.372 -7.885 1.041 1.00 0.00 C ATOM 1353 C VAL A 87 5.151 -7.798 1.951 1.00 0.00 C ATOM 1354 O VAL A 87 4.923 -6.779 2.604 1.00 0.00 O ATOM 1355 CB VAL A 87 7.459 -6.918 1.551 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.855 -7.258 2.981 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.674 -6.948 0.634 1.00 0.00 C ATOM 0 H VAL A 87 5.191 -7.030 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 87 6.765 -8.901 1.069 1.00 0.00 H new ATOM 0 HB VAL A 87 7.049 -5.908 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.623 -6.563 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.982 -7.179 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.244 -8.276 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.431 -6.259 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.084 -7.958 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.378 -6.649 -0.372 1.00 0.00 H new ATOM 1367 N VAL A 88 4.372 -8.872 1.991 1.00 0.00 N ATOM 1368 CA VAL A 88 3.178 -8.918 2.823 1.00 0.00 C ATOM 1369 C VAL A 88 3.534 -8.765 4.301 1.00 0.00 C ATOM 1370 O VAL A 88 3.697 -9.754 5.016 1.00 0.00 O ATOM 1371 CB VAL A 88 2.402 -10.236 2.615 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.304 -11.433 2.874 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.175 -10.285 3.512 1.00 0.00 C ATOM 0 H VAL A 88 4.547 -9.723 1.456 1.00 0.00 H new ATOM 0 HA VAL A 88 2.543 -8.085 2.522 1.00 0.00 H new ATOM 0 HB VAL A 88 2.067 -10.276 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.740 -12.353 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.149 -11.408 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.671 -11.397 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.643 -11.222 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.484 -10.219 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.518 -9.448 3.275 1.00 0.00 H new ATOM 1383 N GLY A 89 3.652 -7.519 4.751 1.00 0.00 N ATOM 1384 CA GLY A 89 3.987 -7.258 6.141 1.00 0.00 C ATOM 1385 C GLY A 89 4.501 -5.848 6.361 1.00 0.00 C ATOM 1386 O GLY A 89 5.598 -5.504 5.921 1.00 0.00 O ATOM 0 H GLY A 89 3.522 -6.685 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.105 -7.420 6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.743 -7.972 6.469 1.00 0.00 H new ATOM 1390 N ALA A 90 3.704 -5.029 7.043 1.00 0.00 N ATOM 1391 CA ALA A 90 4.082 -3.646 7.320 1.00 0.00 C ATOM 1392 C ALA A 90 4.600 -3.488 8.744 1.00 0.00 C ATOM 1393 O ALA A 90 4.325 -2.490 9.409 1.00 0.00 O ATOM 1394 CB ALA A 90 2.900 -2.719 7.080 1.00 0.00 C ATOM 0 H ALA A 90 2.793 -5.299 7.414 1.00 0.00 H new ATOM 0 HA ALA A 90 4.889 -3.375 6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.195 -1.691 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.580 -2.799 6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.077 -3.001 7.736 1.00 0.00 H new ATOM 1400 N ASN A 91 5.360 -4.476 9.203 1.00 0.00 N ATOM 1401 CA ASN A 91 5.926 -4.439 10.544 1.00 0.00 C ATOM 1402 C ASN A 91 7.166 -3.547 10.569 1.00 0.00 C ATOM 1403 O ASN A 91 8.035 -3.670 9.708 1.00 0.00 O ATOM 1404 CB ASN A 91 6.286 -5.853 11.006 1.00 0.00 C ATOM 1405 CG ASN A 91 6.844 -5.879 12.416 1.00 0.00 C ATOM 1406 OD1 ASN A 91 6.172 -5.486 13.369 1.00 0.00 O ATOM 1407 ND2 ASN A 91 8.081 -6.343 12.555 1.00 0.00 N ATOM 0 H ASN A 91 5.597 -5.310 8.667 1.00 0.00 H new ATOM 0 HA ASN A 91 5.182 -4.026 11.225 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.399 -6.484 10.958 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.018 -6.280 10.321 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.510 -6.384 13.480 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.602 -6.659 11.737 1.00 0.00 H new ATOM 1414 N PRO A 92 7.263 -2.631 11.550 1.00 0.00 N ATOM 1415 CA PRO A 92 8.404 -1.715 11.671 1.00 0.00 C ATOM 1416 C PRO A 92 9.747 -2.410 11.468 1.00 0.00 C ATOM 1417 O PRO A 92 10.373 -2.864 12.427 1.00 0.00 O ATOM 1418 CB PRO A 92 8.273 -1.203 13.102 1.00 0.00 C ATOM 1419 CG PRO A 92 6.807 -1.202 13.349 1.00 0.00 C ATOM 1420 CD PRO A 92 6.268 -2.406 12.620 1.00 0.00 C ATOM 0 HA PRO A 92 8.386 -0.933 10.912 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.796 -1.849 13.807 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.697 -0.205 13.209 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.590 -1.261 14.416 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.349 -0.284 12.981 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.184 -3.270 13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.275 -2.218 12.212 1.00 0.00 H new ATOM 1428 N ALA A 93 10.183 -2.489 10.213 1.00 0.00 N ATOM 1429 CA ALA A 93 11.452 -3.128 9.880 1.00 0.00 C ATOM 1430 C ALA A 93 11.638 -3.232 8.369 1.00 0.00 C ATOM 1431 O ALA A 93 12.745 -3.065 7.859 1.00 0.00 O ATOM 1432 CB ALA A 93 11.540 -4.510 10.515 1.00 0.00 C ATOM 0 H ALA A 93 9.675 -2.118 9.410 1.00 0.00 H new ATOM 0 HA ALA A 93 12.252 -2.505 10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.493 -4.970 10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.465 -4.418 11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.724 -5.132 10.147 1.00 0.00 H new ATOM 1438 N ALA A 94 10.549 -3.515 7.657 1.00 0.00 N ATOM 1439 CA ALA A 94 10.606 -3.644 6.205 1.00 0.00 C ATOM 1440 C ALA A 94 9.825 -2.539 5.513 1.00 0.00 C ATOM 1441 O ALA A 94 10.318 -1.918 4.571 1.00 0.00 O ATOM 1442 CB ALA A 94 10.099 -5.011 5.770 1.00 0.00 C ATOM 0 H ALA A 94 9.623 -3.658 8.060 1.00 0.00 H new ATOM 0 HA ALA A 94 11.650 -3.546 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.149 -5.089 4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.718 -5.788 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.066 -5.137 6.096 1.00 0.00 H new ATOM 1448 N ILE A 95 8.613 -2.280 5.989 1.00 0.00 N ATOM 1449 CA ILE A 95 7.787 -1.228 5.414 1.00 0.00 C ATOM 1450 C ILE A 95 8.545 0.100 5.357 1.00 0.00 C ATOM 1451 O ILE A 95 8.147 1.021 4.643 1.00 0.00 O ATOM 1452 CB ILE A 95 6.485 -1.050 6.219 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.644 0.107 5.669 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.802 -0.821 7.689 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.303 -0.026 4.200 1.00 0.00 C ATOM 0 H ILE A 95 8.183 -2.781 6.767 1.00 0.00 H new ATOM 0 HA ILE A 95 7.535 -1.529 4.397 1.00 0.00 H new ATOM 0 HB ILE A 95 5.901 -1.965 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.719 0.175 6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.184 1.041 5.823 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.874 -0.697 8.246 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.349 -1.679 8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.411 0.077 7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.707 0.831 3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.222 -0.063 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.734 -0.942 4.040 1.00 0.00 H new ATOM 1467 N LYS A 96 9.646 0.190 6.107 1.00 0.00 N ATOM 1468 CA LYS A 96 10.459 1.402 6.126 1.00 0.00 C ATOM 1469 C LYS A 96 11.548 1.334 5.064 1.00 0.00 C ATOM 1470 O LYS A 96 11.576 2.137 4.132 1.00 0.00 O ATOM 1471 CB LYS A 96 11.088 1.600 7.507 1.00 0.00 C ATOM 1472 CG LYS A 96 10.065 1.734 8.625 1.00 0.00 C ATOM 1473 CD LYS A 96 10.718 2.057 9.964 1.00 0.00 C ATOM 1474 CE LYS A 96 11.624 0.932 10.450 1.00 0.00 C ATOM 1475 NZ LYS A 96 12.883 0.835 9.659 1.00 0.00 N ATOM 0 H LYS A 96 9.992 -0.560 6.706 1.00 0.00 H new ATOM 0 HA LYS A 96 9.811 2.251 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.743 0.756 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.713 2.493 7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.352 2.518 8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.500 0.806 8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.299 2.974 9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.944 2.244 10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.869 1.094 11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.087 -0.015 10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.835 0.008 9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.002 1.696 9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.692 0.733 10.305 1.00 0.00 H new ATOM 1489 N GLN A 97 12.445 0.365 5.215 1.00 0.00 N ATOM 1490 CA GLN A 97 13.544 0.182 4.275 1.00 0.00 C ATOM 1491 C GLN A 97 13.012 -0.057 2.866 1.00 0.00 C ATOM 1492 O GLN A 97 13.627 0.353 1.882 1.00 0.00 O ATOM 1493 CB GLN A 97 14.417 -0.996 4.708 1.00 0.00 C ATOM 1494 CG GLN A 97 14.973 -0.859 6.115 1.00 0.00 C ATOM 1495 CD GLN A 97 15.770 -2.074 6.549 1.00 0.00 C ATOM 1496 OE1 GLN A 97 15.254 -3.190 6.579 1.00 0.00 O ATOM 1497 NE2 GLN A 97 17.035 -1.860 6.892 1.00 0.00 N ATOM 0 H GLN A 97 12.432 -0.307 5.982 1.00 0.00 H new ATOM 0 HA GLN A 97 14.146 1.090 4.270 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.831 -1.913 4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.246 -1.099 4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.609 0.025 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.151 -0.701 6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 97 17.422 -0.917 6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 97 17.620 -2.639 7.195 1.00 0.00 H new ATOM 1506 N ALA A 98 11.863 -0.721 2.777 1.00 0.00 N ATOM 1507 CA ALA A 98 11.248 -1.011 1.489 1.00 0.00 C ATOM 1508 C ALA A 98 10.922 0.277 0.740 1.00 0.00 C ATOM 1509 O ALA A 98 10.926 0.309 -0.490 1.00 0.00 O ATOM 1510 CB ALA A 98 9.992 -1.846 1.681 1.00 0.00 C ATOM 0 H ALA A 98 11.341 -1.067 3.582 1.00 0.00 H new ATOM 0 HA ALA A 98 11.959 -1.580 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.542 -2.055 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.250 -2.785 2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.281 -1.297 2.299 1.00 0.00 H new ATOM 1516 N ILE A 99 10.639 1.333 1.494 1.00 0.00 N ATOM 1517 CA ILE A 99 10.311 2.628 0.910 1.00 0.00 C ATOM 1518 C ILE A 99 11.563 3.481 0.701 1.00 0.00 C ATOM 1519 O ILE A 99 11.499 4.549 0.092 1.00 0.00 O ATOM 1520 CB ILE A 99 9.314 3.399 1.801 1.00 0.00 C ATOM 1521 CG1 ILE A 99 8.037 2.581 1.996 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.990 4.756 1.193 1.00 0.00 C ATOM 1523 CD1 ILE A 99 7.004 3.268 2.862 1.00 0.00 C ATOM 0 H ILE A 99 10.630 1.317 2.514 1.00 0.00 H new ATOM 0 HA ILE A 99 9.853 2.433 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 99 9.775 3.563 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.599 2.369 1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.295 1.622 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.286 5.284 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.905 5.341 1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.547 4.616 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.126 2.630 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.424 3.455 3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.717 4.215 2.404 1.00 0.00 H new ATOM 1535 N ALA A 100 12.698 3.010 1.211 1.00 0.00 N ATOM 1536 CA ALA A 100 13.955 3.737 1.080 1.00 0.00 C ATOM 1537 C ALA A 100 14.701 3.328 -0.184 1.00 0.00 C ATOM 1538 O ALA A 100 14.777 4.088 -1.148 1.00 0.00 O ATOM 1539 CB ALA A 100 14.826 3.508 2.306 1.00 0.00 C ATOM 0 H ALA A 100 12.772 2.128 1.718 1.00 0.00 H new ATOM 0 HA ALA A 100 13.723 4.799 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.761 4.056 2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.302 3.859 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.039 2.444 2.407 1.00 0.00 H new ATOM 1545 N ALA A 101 15.252 2.118 -0.170 1.00 0.00 N ATOM 1546 CA ALA A 101 15.999 1.600 -1.311 1.00 0.00 C ATOM 1547 C ALA A 101 15.188 1.703 -2.598 1.00 0.00 C ATOM 1548 O ALA A 101 15.748 1.865 -3.682 1.00 0.00 O ATOM 1549 CB ALA A 101 16.409 0.157 -1.060 1.00 0.00 C ATOM 0 H ALA A 101 15.195 1.477 0.621 1.00 0.00 H new ATOM 0 HA ALA A 101 16.895 2.209 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.966 -0.218 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.037 0.107 -0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.518 -0.454 -0.910 1.00 0.00 H new ATOM 1555 N ASN A 102 13.869 1.606 -2.474 1.00 0.00 N ATOM 1556 CA ASN A 102 12.986 1.684 -3.621 1.00 0.00 C ATOM 1557 C ASN A 102 12.745 3.135 -4.028 1.00 0.00 C ATOM 1558 O ASN A 102 12.944 3.507 -5.184 1.00 0.00 O ATOM 1559 CB ASN A 102 11.662 1.005 -3.286 1.00 0.00 C ATOM 1560 CG ASN A 102 11.789 -0.499 -3.061 1.00 0.00 C ATOM 1561 OD1 ASN A 102 10.801 -1.166 -2.753 1.00 0.00 O ATOM 1562 ND2 ASN A 102 12.993 -1.049 -3.212 1.00 0.00 N ATOM 0 H ASN A 102 13.390 1.473 -1.583 1.00 0.00 H new ATOM 0 HA ASN A 102 13.457 1.174 -4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.244 1.464 -2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.955 1.185 -4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 102 13.117 -2.052 -3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 102 13.791 -0.467 -3.468 1.00 0.00 H new ATOM 1569 N ALA A 103 12.313 3.949 -3.070 1.00 0.00 N ATOM 1570 CA ALA A 103 12.045 5.359 -3.329 1.00 0.00 C ATOM 1571 C ALA A 103 13.342 6.156 -3.420 1.00 0.00 C ATOM 1572 O ALA A 103 14.409 5.588 -3.109 1.00 0.00 O ATOM 1573 CB ALA A 103 11.146 5.932 -2.245 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.279 7.344 -3.802 1.00 0.00 O ATOM 0 H ALA A 103 12.141 3.657 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 103 11.534 5.437 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.954 6.985 -2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.202 5.387 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.637 5.835 -1.277 1.00 0.00 H new TER 1580 ALA A 103