USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 706 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 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.572 K(o=-0.57,f=-1.3) USER MOD Set 2.1: A 12 HIS :FLIP no HD1:sc= -2.66! C(o=-12!,f=-9!) USER MOD Set 2.2: A 37 MET CE :methyl -135:sc= -6.32! (180deg=-6.05!) USER MOD Single : A 1 MET CE :methyl 168:sc= -1.59 (180deg=-2.09!) USER MOD Single : A 1 MET N :NH3+ -114:sc= -3.15! (180deg=-6.05!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.433 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -164:sc= -0.732 USER MOD Single : A 19 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 76:sc= 0.536 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0.639 (180deg=0.627) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -1.49 F(o=-2,f=-1.5) USER MOD Single : A 35 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.1!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000794) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0244) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc=-0.00197 X(o=-0.002,f=-0.066) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -46:sc= 0.306 USER MOD Single : A 75 HIS : no HE2:sc= -0.223 K(o=-0.22,f=-1.9!) USER MOD Single : A 81 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.011) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -102:sc= -0.0548 (180deg=-0.801) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.699 -1.905 12.333 1.00 0.00 N ATOM 2 CA MET A 1 2.800 -2.613 11.378 1.00 0.00 C ATOM 3 C MET A 1 2.825 -1.966 9.999 1.00 0.00 C ATOM 4 O MET A 1 2.640 -0.758 9.865 1.00 0.00 O ATOM 5 CB MET A 1 1.390 -2.589 11.962 1.00 0.00 C ATOM 6 CG MET A 1 0.332 -3.268 11.119 1.00 0.00 C ATOM 7 SD MET A 1 -1.323 -3.064 11.804 1.00 0.00 S ATOM 8 CE MET A 1 -1.368 -1.291 12.059 1.00 0.00 C ATOM 0 H1 MET A 1 4.482 -2.533 12.603 1.00 0.00 H new ATOM 0 H2 MET A 1 4.081 -1.050 11.881 1.00 0.00 H new ATOM 0 H3 MET A 1 3.162 -1.637 13.182 1.00 0.00 H new ATOM 0 HA MET A 1 3.141 -3.640 11.245 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.412 -3.065 12.942 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.096 -1.551 12.118 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.358 -2.859 10.109 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.561 -4.331 11.039 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.390 -0.980 12.275 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.724 -1.028 12.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.018 -0.785 11.159 1.00 0.00 H new ATOM 20 N PHE A 2 3.064 -2.777 8.974 1.00 0.00 N ATOM 21 CA PHE A 2 3.123 -2.275 7.610 1.00 0.00 C ATOM 22 C PHE A 2 1.803 -1.634 7.214 1.00 0.00 C ATOM 23 O PHE A 2 0.759 -1.922 7.800 1.00 0.00 O ATOM 24 CB PHE A 2 3.477 -3.400 6.635 1.00 0.00 C ATOM 25 CG PHE A 2 4.920 -3.807 6.686 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.863 -3.163 5.905 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.329 -4.838 7.514 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.191 -3.542 5.948 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.654 -5.222 7.561 1.00 0.00 C ATOM 30 CZ PHE A 2 7.586 -4.574 6.777 1.00 0.00 C ATOM 0 H PHE A 2 3.219 -3.781 9.063 1.00 0.00 H new ATOM 0 HA PHE A 2 3.904 -1.516 7.564 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.855 -4.268 6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.234 -3.081 5.621 1.00 0.00 H new ATOM 0 HD1 PHE A 2 5.558 -2.356 5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.603 -5.348 8.130 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.919 -3.032 5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.961 -6.029 8.211 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.623 -4.873 6.811 1.00 0.00 H new ATOM 40 N LYS A 3 1.860 -0.757 6.224 1.00 0.00 N ATOM 41 CA LYS A 3 0.675 -0.064 5.753 1.00 0.00 C ATOM 42 C LYS A 3 0.613 -0.077 4.236 1.00 0.00 C ATOM 43 O LYS A 3 1.477 0.487 3.570 1.00 0.00 O ATOM 44 CB LYS A 3 0.692 1.377 6.254 1.00 0.00 C ATOM 45 CG LYS A 3 0.394 1.511 7.737 1.00 0.00 C ATOM 46 CD LYS A 3 1.673 1.673 8.543 1.00 0.00 C ATOM 47 CE LYS A 3 1.388 1.725 10.035 1.00 0.00 C ATOM 48 NZ LYS A 3 1.095 3.111 10.494 1.00 0.00 N ATOM 0 H LYS A 3 2.718 -0.509 5.731 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.205 -0.577 6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.670 1.812 6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.040 1.957 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.255 2.370 7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.148 0.631 8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.347 0.843 8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.184 2.586 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.541 1.079 10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.246 1.334 10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.906 3.105 11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.913 3.722 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.261 3.475 9.990 1.00 0.00 H new ATOM 62 N VAL A 4 -0.406 -0.723 3.685 1.00 0.00 N ATOM 63 CA VAL A 4 -0.546 -0.785 2.236 1.00 0.00 C ATOM 64 C VAL A 4 -1.659 0.123 1.736 1.00 0.00 C ATOM 65 O VAL A 4 -2.809 0.018 2.162 1.00 0.00 O ATOM 66 CB VAL A 4 -0.805 -2.218 1.732 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.364 -2.198 0.316 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.472 -3.028 1.772 1.00 0.00 C ATOM 0 H VAL A 4 -1.137 -1.204 4.209 1.00 0.00 H new ATOM 0 HA VAL A 4 0.407 -0.441 1.834 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.540 -2.683 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.540 -3.220 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.303 -1.645 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.650 -1.714 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.274 -4.038 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.221 -2.557 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.842 -3.073 2.796 1.00 0.00 H new ATOM 78 N TYR A 5 -1.303 0.994 0.800 1.00 0.00 N ATOM 79 CA TYR A 5 -2.257 1.910 0.199 1.00 0.00 C ATOM 80 C TYR A 5 -2.662 1.394 -1.175 1.00 0.00 C ATOM 81 O TYR A 5 -1.932 1.570 -2.146 1.00 0.00 O ATOM 82 CB TYR A 5 -1.649 3.308 0.053 1.00 0.00 C ATOM 83 CG TYR A 5 -1.491 4.077 1.350 1.00 0.00 C ATOM 84 CD1 TYR A 5 -1.286 3.428 2.562 1.00 0.00 C ATOM 85 CD2 TYR A 5 -1.534 5.465 1.350 1.00 0.00 C ATOM 86 CE1 TYR A 5 -1.130 4.143 3.735 1.00 0.00 C ATOM 87 CE2 TYR A 5 -1.380 6.185 2.518 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.178 5.520 3.708 1.00 0.00 C ATOM 89 OH TYR A 5 -1.024 6.234 4.874 1.00 0.00 O ATOM 0 H TYR A 5 -0.353 1.083 0.440 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.131 1.973 0.847 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.670 3.215 -0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.274 3.891 -0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.248 2.349 2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.691 5.991 0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.971 3.624 4.669 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.418 7.264 2.499 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.083 7.193 4.681 1.00 0.00 H new ATOM 99 N GLY A 6 -3.815 0.748 -1.256 1.00 0.00 N ATOM 100 CA GLY A 6 -4.268 0.216 -2.525 1.00 0.00 C ATOM 101 C GLY A 6 -5.750 -0.082 -2.529 1.00 0.00 C ATOM 102 O GLY A 6 -6.551 0.703 -2.022 1.00 0.00 O ATOM 0 H GLY A 6 -4.443 0.583 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.042 0.930 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.716 -0.696 -2.751 1.00 0.00 H new ATOM 106 N TYR A 7 -6.115 -1.217 -3.112 1.00 0.00 N ATOM 107 CA TYR A 7 -7.501 -1.625 -3.191 1.00 0.00 C ATOM 108 C TYR A 7 -7.705 -2.960 -2.487 1.00 0.00 C ATOM 109 O TYR A 7 -6.857 -3.848 -2.569 1.00 0.00 O ATOM 110 CB TYR A 7 -7.914 -1.704 -4.648 1.00 0.00 C ATOM 111 CG TYR A 7 -7.601 -0.421 -5.373 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.293 -0.134 -5.731 1.00 0.00 C ATOM 113 CD2 TYR A 7 -8.580 0.536 -5.634 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.965 1.055 -6.343 1.00 0.00 C ATOM 115 CE2 TYR A 7 -8.252 1.729 -6.234 1.00 0.00 C ATOM 116 CZ TYR A 7 -6.947 1.986 -6.592 1.00 0.00 C ATOM 117 OH TYR A 7 -6.620 3.183 -7.190 1.00 0.00 O ATOM 0 H TYR A 7 -5.460 -1.872 -3.539 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.128 -0.890 -2.686 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.397 -2.533 -5.131 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.982 -1.912 -4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.517 -0.856 -5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.606 0.339 -5.362 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.942 1.256 -6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.019 2.465 -6.425 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.428 3.727 -7.296 1.00 0.00 H new ATOM 127 N ASP A 8 -8.814 -3.089 -1.769 1.00 0.00 N ATOM 128 CA ASP A 8 -9.095 -4.312 -1.027 1.00 0.00 C ATOM 129 C ASP A 8 -9.936 -5.297 -1.834 1.00 0.00 C ATOM 130 O ASP A 8 -10.594 -6.168 -1.266 1.00 0.00 O ATOM 131 CB ASP A 8 -9.801 -3.981 0.287 1.00 0.00 C ATOM 132 CG ASP A 8 -9.811 -5.155 1.244 1.00 0.00 C ATOM 133 OD1 ASP A 8 -8.838 -5.939 1.229 1.00 0.00 O ATOM 134 OD2 ASP A 8 -10.789 -5.293 2.007 1.00 0.00 O ATOM 0 H ASP A 8 -9.529 -2.367 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.138 -4.790 -0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.305 -3.133 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.826 -3.675 0.079 1.00 0.00 H new ATOM 139 N SER A 9 -9.912 -5.167 -3.158 1.00 0.00 N ATOM 140 CA SER A 9 -10.676 -6.063 -4.023 1.00 0.00 C ATOM 141 C SER A 9 -12.183 -5.892 -3.830 1.00 0.00 C ATOM 142 O SER A 9 -12.975 -6.636 -4.406 1.00 0.00 O ATOM 143 CB SER A 9 -10.283 -7.517 -3.752 1.00 0.00 C ATOM 144 OG SER A 9 -8.877 -7.655 -3.654 1.00 0.00 O ATOM 0 H SER A 9 -9.376 -4.455 -3.653 1.00 0.00 H new ATOM 0 HA SER A 9 -10.439 -5.804 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.750 -7.857 -2.828 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.659 -8.154 -4.553 1.00 0.00 H new ATOM 0 HG SER A 9 -8.652 -8.593 -3.479 1.00 0.00 H new ATOM 150 N ASN A 10 -12.579 -4.909 -3.026 1.00 0.00 N ATOM 151 CA ASN A 10 -13.993 -4.657 -2.775 1.00 0.00 C ATOM 152 C ASN A 10 -14.598 -3.832 -3.906 1.00 0.00 C ATOM 153 O ASN A 10 -15.693 -4.123 -4.390 1.00 0.00 O ATOM 154 CB ASN A 10 -14.169 -3.933 -1.438 1.00 0.00 C ATOM 155 CG ASN A 10 -15.621 -3.842 -1.011 1.00 0.00 C ATOM 156 OD1 ASN A 10 -16.400 -4.773 -1.219 1.00 0.00 O ATOM 157 ND2 ASN A 10 -15.992 -2.717 -0.413 1.00 0.00 N ATOM 0 H ASN A 10 -11.943 -4.277 -2.540 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.514 -5.613 -2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.600 -4.455 -0.669 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.753 -2.928 -1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.957 -2.597 -0.105 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.312 -1.972 -0.261 1.00 0.00 H new ATOM 164 N ILE A 11 -13.868 -2.806 -4.326 1.00 0.00 N ATOM 165 CA ILE A 11 -14.309 -1.928 -5.407 1.00 0.00 C ATOM 166 C ILE A 11 -13.271 -1.852 -6.513 1.00 0.00 C ATOM 167 O ILE A 11 -13.442 -1.106 -7.478 1.00 0.00 O ATOM 168 CB ILE A 11 -14.542 -0.489 -4.909 1.00 0.00 C ATOM 169 CG1 ILE A 11 -15.278 -0.486 -3.576 1.00 0.00 C ATOM 170 CG2 ILE A 11 -15.295 0.321 -5.949 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.714 -0.960 -3.668 1.00 0.00 C ATOM 0 H ILE A 11 -12.960 -2.559 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.239 -2.355 -5.781 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.570 -0.021 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.740 -1.122 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.264 0.524 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.450 1.334 -5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.716 0.356 -6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.261 -0.145 -6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -17.171 -0.930 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.269 -0.310 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.736 -1.982 -4.047 1.00 0.00 H new ATOM 183 N HIS A 12 -12.173 -2.585 -6.365 1.00 0.00 N ATOM 184 CA HIS A 12 -11.122 -2.522 -7.356 1.00 0.00 C ATOM 185 C HIS A 12 -10.274 -3.781 -7.314 1.00 0.00 C ATOM 186 O HIS A 12 -9.843 -4.222 -6.253 1.00 0.00 O ATOM 187 CB HIS A 12 -10.286 -1.301 -7.046 1.00 0.00 C ATOM 188 CG HIS A 12 -9.580 -0.688 -8.201 1.00 0.00 C ATOM 189 ND1 HIS A 12 -9.994 0.314 -8.990 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -8.339 -1.046 -8.650 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -9.019 0.583 -9.948 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -8.039 -0.264 -9.697 1.00 0.00 N flip ATOM 0 H HIS A 12 -11.995 -3.215 -5.583 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.542 -2.451 -8.359 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.932 -0.546 -6.598 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.545 -1.573 -6.295 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.712 -1.821 -8.235 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.057 1.327 -10.730 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.170 -0.317 -10.228 1.00 0.00 H new ATOM 200 N LYS A 13 -10.057 -4.354 -8.480 1.00 0.00 N ATOM 201 CA LYS A 13 -9.278 -5.588 -8.599 1.00 0.00 C ATOM 202 C LYS A 13 -7.768 -5.328 -8.579 1.00 0.00 C ATOM 203 O LYS A 13 -7.313 -4.216 -8.847 1.00 0.00 O ATOM 204 CB LYS A 13 -9.685 -6.351 -9.866 1.00 0.00 C ATOM 205 CG LYS A 13 -9.053 -5.838 -11.151 1.00 0.00 C ATOM 206 CD LYS A 13 -8.875 -6.962 -12.159 1.00 0.00 C ATOM 207 CE LYS A 13 -7.687 -7.846 -11.807 1.00 0.00 C ATOM 208 NZ LYS A 13 -7.019 -8.392 -13.022 1.00 0.00 N ATOM 0 H LYS A 13 -10.407 -3.990 -9.366 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.502 -6.202 -7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.420 -7.401 -9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.769 -6.306 -9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.679 -5.056 -11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.086 -5.387 -10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.781 -7.566 -12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.734 -6.540 -13.154 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.967 -7.271 -11.225 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.022 -8.669 -11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.216 -8.988 -12.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.698 -8.962 -13.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.676 -7.607 -13.612 1.00 0.00 H new ATOM 222 N CYS A 14 -7.002 -6.373 -8.259 1.00 0.00 N ATOM 223 CA CYS A 14 -5.541 -6.281 -8.202 1.00 0.00 C ATOM 224 C CYS A 14 -4.924 -7.599 -7.734 1.00 0.00 C ATOM 225 O CYS A 14 -5.254 -8.103 -6.659 1.00 0.00 O ATOM 226 CB CYS A 14 -5.108 -5.150 -7.265 1.00 0.00 C ATOM 227 SG CYS A 14 -3.663 -4.226 -7.841 1.00 0.00 S ATOM 0 H CYS A 14 -7.371 -7.297 -8.034 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.185 -6.067 -9.210 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.941 -4.459 -7.138 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.890 -5.570 -6.283 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.376 -3.291 -6.984 1.00 0.00 H new ATOM 233 N VAL A 15 -4.027 -8.153 -8.548 1.00 0.00 N ATOM 234 CA VAL A 15 -3.362 -9.415 -8.220 1.00 0.00 C ATOM 235 C VAL A 15 -2.163 -9.202 -7.298 1.00 0.00 C ATOM 236 O VAL A 15 -1.921 -9.996 -6.390 1.00 0.00 O ATOM 237 CB VAL A 15 -2.875 -10.143 -9.489 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.048 -10.583 -10.348 1.00 0.00 C ATOM 239 CG2 VAL A 15 -1.926 -9.259 -10.285 1.00 0.00 C ATOM 0 H VAL A 15 -3.743 -7.748 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.107 -10.025 -7.709 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.332 -11.036 -9.178 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.677 -11.094 -11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.682 -11.262 -9.778 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.628 -9.710 -10.647 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.594 -9.792 -11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.441 -8.345 -10.579 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.062 -9.007 -9.670 1.00 0.00 H new ATOM 249 N TYR A 16 -1.404 -8.137 -7.544 1.00 0.00 N ATOM 250 CA TYR A 16 -0.221 -7.840 -6.740 1.00 0.00 C ATOM 251 C TYR A 16 -0.568 -7.747 -5.258 1.00 0.00 C ATOM 252 O TYR A 16 0.265 -8.032 -4.398 1.00 0.00 O ATOM 253 CB TYR A 16 0.436 -6.541 -7.211 1.00 0.00 C ATOM 254 CG TYR A 16 1.553 -6.768 -8.206 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.826 -7.124 -7.779 1.00 0.00 C ATOM 256 CD2 TYR A 16 1.332 -6.634 -9.572 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.849 -7.340 -8.684 1.00 0.00 C ATOM 258 CE2 TYR A 16 2.349 -6.851 -10.483 1.00 0.00 C ATOM 259 CZ TYR A 16 3.605 -7.202 -10.034 1.00 0.00 C ATOM 260 OH TYR A 16 4.620 -7.418 -10.938 1.00 0.00 O ATOM 0 H TYR A 16 -1.586 -7.467 -8.291 1.00 0.00 H new ATOM 0 HA TYR A 16 0.485 -8.660 -6.872 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.321 -5.901 -7.664 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.830 -6.006 -6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.020 -7.234 -6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.351 -6.356 -9.927 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.833 -7.615 -8.335 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.161 -6.746 -11.541 1.00 0.00 H new ATOM 0 HH TYR A 16 4.282 -7.281 -11.848 1.00 0.00 H new ATOM 270 N CYS A 17 -1.800 -7.352 -4.965 1.00 0.00 N ATOM 271 CA CYS A 17 -2.250 -7.235 -3.586 1.00 0.00 C ATOM 272 C CYS A 17 -2.207 -8.592 -2.892 1.00 0.00 C ATOM 273 O CYS A 17 -1.594 -8.742 -1.834 1.00 0.00 O ATOM 274 CB CYS A 17 -3.669 -6.667 -3.537 1.00 0.00 C ATOM 275 SG CYS A 17 -3.740 -4.861 -3.579 1.00 0.00 S ATOM 0 H CYS A 17 -2.503 -7.108 -5.662 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.579 -6.554 -3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.237 -7.062 -4.379 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.159 -7.019 -2.629 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.918 -4.464 -3.199 1.00 0.00 H new ATOM 281 N ASP A 18 -2.856 -9.581 -3.499 1.00 0.00 N ATOM 282 CA ASP A 18 -2.893 -10.931 -2.944 1.00 0.00 C ATOM 283 C ASP A 18 -1.485 -11.448 -2.657 1.00 0.00 C ATOM 284 O ASP A 18 -1.269 -12.193 -1.701 1.00 0.00 O ATOM 285 CB ASP A 18 -3.607 -11.883 -3.908 1.00 0.00 C ATOM 286 CG ASP A 18 -5.116 -11.809 -3.787 1.00 0.00 C ATOM 287 OD1 ASP A 18 -5.714 -10.878 -4.367 1.00 0.00 O ATOM 288 OD2 ASP A 18 -5.702 -12.683 -3.114 1.00 0.00 O ATOM 0 H ASP A 18 -3.364 -9.473 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.443 -10.890 -2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.316 -11.645 -4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.280 -12.904 -3.713 1.00 0.00 H new ATOM 293 N ASN A 19 -0.531 -11.054 -3.495 1.00 0.00 N ATOM 294 CA ASN A 19 0.855 -11.481 -3.332 1.00 0.00 C ATOM 295 C ASN A 19 1.487 -10.827 -2.108 1.00 0.00 C ATOM 296 O ASN A 19 1.902 -11.510 -1.172 1.00 0.00 O ATOM 297 CB ASN A 19 1.670 -11.143 -4.583 1.00 0.00 C ATOM 298 CG ASN A 19 0.960 -11.535 -5.866 1.00 0.00 C ATOM 299 OD1 ASN A 19 1.031 -10.824 -6.868 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.273 -12.672 -5.843 1.00 0.00 N ATOM 0 H ASN A 19 -0.692 -10.440 -4.293 1.00 0.00 H new ATOM 0 HA ASN A 19 0.858 -12.561 -3.187 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.877 -10.073 -4.599 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.632 -11.653 -4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.222 -12.986 -6.678 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.241 -13.231 -4.991 1.00 0.00 H new ATOM 307 N ALA A 20 1.559 -9.500 -2.122 1.00 0.00 N ATOM 308 CA ALA A 20 2.143 -8.754 -1.012 1.00 0.00 C ATOM 309 C ALA A 20 1.493 -9.135 0.314 1.00 0.00 C ATOM 310 O ALA A 20 2.143 -9.125 1.359 1.00 0.00 O ATOM 311 CB ALA A 20 2.014 -7.257 -1.256 1.00 0.00 C ATOM 0 H ALA A 20 1.221 -8.919 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 20 3.200 -9.012 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.454 -6.713 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.535 -6.992 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.960 -6.993 -1.347 1.00 0.00 H new ATOM 317 N LYS A 21 0.211 -9.480 0.262 1.00 0.00 N ATOM 318 CA LYS A 21 -0.522 -9.870 1.461 1.00 0.00 C ATOM 319 C LYS A 21 0.111 -11.101 2.099 1.00 0.00 C ATOM 320 O LYS A 21 0.489 -11.084 3.270 1.00 0.00 O ATOM 321 CB LYS A 21 -1.986 -10.153 1.120 1.00 0.00 C ATOM 322 CG LYS A 21 -2.946 -9.856 2.259 1.00 0.00 C ATOM 323 CD LYS A 21 -4.386 -10.138 1.864 1.00 0.00 C ATOM 324 CE LYS A 21 -5.364 -9.518 2.848 1.00 0.00 C ATOM 325 NZ LYS A 21 -6.747 -10.039 2.661 1.00 0.00 N ATOM 0 H LYS A 21 -0.341 -9.498 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.477 -9.046 2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.270 -9.557 0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.088 -11.200 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.681 -10.461 3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.847 -8.812 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.574 -9.744 0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.548 -11.215 1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.033 -9.723 3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.365 -8.435 2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.383 -9.591 3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.073 -9.821 1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.752 -11.069 2.803 1.00 0.00 H new ATOM 339 N ARG A 22 0.231 -12.166 1.314 1.00 0.00 N ATOM 340 CA ARG A 22 0.825 -13.409 1.795 1.00 0.00 C ATOM 341 C ARG A 22 2.297 -13.206 2.144 1.00 0.00 C ATOM 342 O ARG A 22 2.845 -13.905 2.996 1.00 0.00 O ATOM 343 CB ARG A 22 0.687 -14.508 0.738 1.00 0.00 C ATOM 344 CG ARG A 22 0.694 -15.913 1.318 1.00 0.00 C ATOM 345 CD ARG A 22 -0.136 -16.868 0.475 1.00 0.00 C ATOM 346 NE ARG A 22 -0.082 -18.237 0.983 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.722 -18.647 2.076 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.463 -17.799 2.778 1.00 0.00 N ATOM 349 NH2 ARG A 22 -0.620 -19.909 2.469 1.00 0.00 N ATOM 0 H ARG A 22 -0.075 -12.194 0.341 1.00 0.00 H new ATOM 0 HA ARG A 22 0.293 -13.713 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.241 -14.356 0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.503 -14.416 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.719 -16.277 1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.303 -15.890 2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.172 -16.529 0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.223 -16.849 -0.554 1.00 0.00 H new ATOM 0 HE ARG A 22 0.478 -18.918 0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.545 -16.827 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.951 -18.120 3.614 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.051 -20.565 1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.110 -20.224 3.306 1.00 0.00 H new ATOM 363 N LEU A 23 2.928 -12.236 1.486 1.00 0.00 N ATOM 364 CA LEU A 23 4.332 -11.929 1.728 1.00 0.00 C ATOM 365 C LEU A 23 4.556 -11.593 3.196 1.00 0.00 C ATOM 366 O LEU A 23 5.354 -12.234 3.880 1.00 0.00 O ATOM 367 CB LEU A 23 4.765 -10.749 0.851 1.00 0.00 C ATOM 368 CG LEU A 23 6.272 -10.601 0.631 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.571 -9.317 -0.130 1.00 0.00 C ATOM 370 CD2 LEU A 23 7.014 -10.612 1.958 1.00 0.00 C ATOM 0 H LEU A 23 2.486 -11.648 0.779 1.00 0.00 H new ATOM 0 HA LEU A 23 4.931 -12.804 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.283 -10.847 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.390 -9.830 1.301 1.00 0.00 H new ATOM 0 HG LEU A 23 6.616 -11.449 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.647 -9.225 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.071 -9.343 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.210 -8.462 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.084 -10.506 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.666 -9.784 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.825 -11.554 2.473 1.00 0.00 H new ATOM 382 N LEU A 24 3.835 -10.586 3.673 1.00 0.00 N ATOM 383 CA LEU A 24 3.946 -10.158 5.063 1.00 0.00 C ATOM 384 C LEU A 24 3.583 -11.299 6.006 1.00 0.00 C ATOM 385 O LEU A 24 4.249 -11.518 7.018 1.00 0.00 O ATOM 386 CB LEU A 24 3.043 -8.949 5.317 1.00 0.00 C ATOM 387 CG LEU A 24 2.996 -7.921 4.180 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.435 -6.597 4.676 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.380 -7.720 3.578 1.00 0.00 C ATOM 0 H LEU A 24 3.167 -10.050 3.119 1.00 0.00 H new ATOM 0 HA LEU A 24 4.980 -9.870 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.030 -9.305 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.379 -8.448 6.225 1.00 0.00 H new ATOM 0 HG LEU A 24 2.336 -8.305 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.410 -5.882 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.425 -6.749 5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.068 -6.210 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.324 -6.987 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.063 -7.362 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.745 -8.667 3.181 1.00 0.00 H new ATOM 401 N THR A 25 2.530 -12.033 5.660 1.00 0.00 N ATOM 402 CA THR A 25 2.090 -13.162 6.469 1.00 0.00 C ATOM 403 C THR A 25 3.203 -14.201 6.567 1.00 0.00 C ATOM 404 O THR A 25 3.403 -14.821 7.610 1.00 0.00 O ATOM 405 CB THR A 25 0.833 -13.791 5.866 1.00 0.00 C ATOM 406 OG1 THR A 25 0.038 -12.809 5.225 1.00 0.00 O ATOM 407 CG2 THR A 25 -0.036 -14.491 6.888 1.00 0.00 C ATOM 0 H THR A 25 1.967 -11.866 4.826 1.00 0.00 H new ATOM 0 HA THR A 25 1.853 -12.803 7.470 1.00 0.00 H new ATOM 0 HB THR A 25 1.195 -14.532 5.153 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.447 -12.565 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.910 -14.915 6.393 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.534 -15.289 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.358 -13.774 7.643 1.00 0.00 H new ATOM 415 N VAL A 26 3.932 -14.370 5.467 1.00 0.00 N ATOM 416 CA VAL A 26 5.037 -15.318 5.409 1.00 0.00 C ATOM 417 C VAL A 26 6.274 -14.755 6.106 1.00 0.00 C ATOM 418 O VAL A 26 7.129 -15.505 6.577 1.00 0.00 O ATOM 419 CB VAL A 26 5.388 -15.669 3.947 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.572 -16.621 3.882 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.181 -16.265 3.241 1.00 0.00 C ATOM 0 H VAL A 26 3.774 -13.858 4.599 1.00 0.00 H new ATOM 0 HA VAL A 26 4.718 -16.224 5.925 1.00 0.00 H new ATOM 0 HB VAL A 26 5.670 -14.749 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.797 -16.851 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.440 -16.154 4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.328 -17.542 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.445 -16.507 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.868 -17.172 3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.364 -15.544 3.246 1.00 0.00 H new ATOM 431 N LYS A 27 6.361 -13.429 6.166 1.00 0.00 N ATOM 432 CA LYS A 27 7.490 -12.762 6.805 1.00 0.00 C ATOM 433 C LYS A 27 7.357 -12.790 8.328 1.00 0.00 C ATOM 434 O LYS A 27 8.323 -12.532 9.046 1.00 0.00 O ATOM 435 CB LYS A 27 7.592 -11.313 6.320 1.00 0.00 C ATOM 436 CG LYS A 27 8.698 -11.081 5.303 1.00 0.00 C ATOM 437 CD LYS A 27 10.079 -11.244 5.922 1.00 0.00 C ATOM 438 CE LYS A 27 10.321 -10.246 7.044 1.00 0.00 C ATOM 439 NZ LYS A 27 10.732 -10.918 8.307 1.00 0.00 N ATOM 0 H LYS A 27 5.662 -12.795 5.779 1.00 0.00 H new ATOM 0 HA LYS A 27 8.397 -13.300 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.639 -11.020 5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.759 -10.663 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.585 -11.783 4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.603 -10.079 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.186 -12.257 6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.839 -11.115 5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.094 -9.540 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.413 -9.669 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.969 -10.200 9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.951 -11.509 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.564 -11.515 8.128 1.00 0.00 H new ATOM 453 N LYS A 28 6.154 -13.091 8.814 1.00 0.00 N ATOM 454 CA LYS A 28 5.896 -13.140 10.250 1.00 0.00 C ATOM 455 C LYS A 28 5.927 -11.737 10.847 1.00 0.00 C ATOM 456 O LYS A 28 6.481 -11.517 11.925 1.00 0.00 O ATOM 457 CB LYS A 28 6.922 -14.034 10.956 1.00 0.00 C ATOM 458 CG LYS A 28 7.107 -15.387 10.289 1.00 0.00 C ATOM 459 CD LYS A 28 6.127 -16.415 10.833 1.00 0.00 C ATOM 460 CE LYS A 28 4.690 -16.033 10.518 1.00 0.00 C ATOM 461 NZ LYS A 28 3.785 -17.217 10.527 1.00 0.00 N ATOM 0 H LYS A 28 5.343 -13.305 8.233 1.00 0.00 H new ATOM 0 HA LYS A 28 4.903 -13.564 10.401 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.882 -13.518 10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.609 -14.187 11.989 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.969 -15.285 9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.127 -15.736 10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.347 -17.393 10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.253 -16.505 11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.340 -15.303 11.248 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.648 -15.552 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.815 -16.914 10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.103 -17.903 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.805 -17.662 11.467 1.00 0.00 H new ATOM 475 N GLN A 29 5.324 -10.792 10.135 1.00 0.00 N ATOM 476 CA GLN A 29 5.276 -9.409 10.580 1.00 0.00 C ATOM 477 C GLN A 29 3.842 -8.885 10.556 1.00 0.00 C ATOM 478 O GLN A 29 3.065 -9.232 9.666 1.00 0.00 O ATOM 479 CB GLN A 29 6.166 -8.537 9.692 1.00 0.00 C ATOM 480 CG GLN A 29 7.574 -8.352 10.233 1.00 0.00 C ATOM 481 CD GLN A 29 7.604 -7.538 11.513 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.543 -8.222 12.649 1.00 0.00 O flip ATOM 483 NE2 GLN A 29 7.683 -6.311 11.479 1.00 0.00 N flip ATOM 0 H GLN A 29 4.860 -10.962 9.243 1.00 0.00 H new ATOM 0 HA GLN A 29 5.645 -9.365 11.605 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.223 -8.984 8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.700 -7.559 9.574 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.020 -9.329 10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.187 -7.859 9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.728 -5.827 10.582 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.704 -5.777 12.348 1.00 0.00 H new ATOM 492 N PRO A 30 3.472 -8.037 11.528 1.00 0.00 N ATOM 493 CA PRO A 30 2.125 -7.467 11.601 1.00 0.00 C ATOM 494 C PRO A 30 1.935 -6.343 10.593 1.00 0.00 C ATOM 495 O PRO A 30 2.812 -5.500 10.426 1.00 0.00 O ATOM 496 CB PRO A 30 2.064 -6.919 13.024 1.00 0.00 C ATOM 497 CG PRO A 30 3.470 -6.531 13.321 1.00 0.00 C ATOM 498 CD PRO A 30 4.330 -7.558 12.631 1.00 0.00 C ATOM 0 HA PRO A 30 1.348 -8.197 11.374 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.391 -6.065 13.094 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.700 -7.670 13.726 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.686 -5.528 12.952 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.655 -6.523 14.395 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.257 -7.121 12.259 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.608 -8.368 13.305 1.00 0.00 H new ATOM 506 N PHE A 31 0.790 -6.329 9.923 1.00 0.00 N ATOM 507 CA PHE A 31 0.515 -5.297 8.936 1.00 0.00 C ATOM 508 C PHE A 31 -0.974 -4.977 8.843 1.00 0.00 C ATOM 509 O PHE A 31 -1.809 -5.683 9.408 1.00 0.00 O ATOM 510 CB PHE A 31 1.049 -5.710 7.582 1.00 0.00 C ATOM 511 CG PHE A 31 0.174 -6.699 6.884 1.00 0.00 C ATOM 512 CD1 PHE A 31 -0.918 -6.271 6.160 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.434 -8.052 6.974 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.742 -7.176 5.531 1.00 0.00 C ATOM 515 CE2 PHE A 31 -0.384 -8.968 6.346 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.478 -8.530 5.622 1.00 0.00 C ATOM 0 H PHE A 31 0.044 -7.014 10.044 1.00 0.00 H new ATOM 0 HA PHE A 31 1.024 -4.390 9.261 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.158 -4.825 6.956 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.044 -6.138 7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.129 -5.214 6.086 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.286 -8.396 7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.595 -6.829 4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.171 -10.024 6.419 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.123 -9.243 5.130 1.00 0.00 H new ATOM 526 N GLU A 32 -1.300 -3.909 8.114 1.00 0.00 N ATOM 527 CA GLU A 32 -2.689 -3.500 7.942 1.00 0.00 C ATOM 528 C GLU A 32 -2.910 -2.861 6.577 1.00 0.00 C ATOM 529 O GLU A 32 -2.066 -2.115 6.081 1.00 0.00 O ATOM 530 CB GLU A 32 -3.106 -2.526 9.045 1.00 0.00 C ATOM 531 CG GLU A 32 -4.003 -3.153 10.100 1.00 0.00 C ATOM 532 CD GLU A 32 -4.392 -2.177 11.193 1.00 0.00 C ATOM 533 OE1 GLU A 32 -4.660 -1.001 10.871 1.00 0.00 O ATOM 534 OE2 GLU A 32 -4.427 -2.588 12.372 1.00 0.00 O ATOM 0 H GLU A 32 -0.622 -3.315 7.636 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.307 -4.396 8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.212 -2.131 9.528 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.625 -1.680 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.905 -3.536 9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.491 -4.006 10.546 1.00 0.00 H new ATOM 541 N PHE A 33 -4.055 -3.162 5.978 1.00 0.00 N ATOM 542 CA PHE A 33 -4.407 -2.628 4.675 1.00 0.00 C ATOM 543 C PHE A 33 -5.155 -1.305 4.809 1.00 0.00 C ATOM 544 O PHE A 33 -5.673 -0.978 5.876 1.00 0.00 O ATOM 545 CB PHE A 33 -5.277 -3.637 3.928 1.00 0.00 C ATOM 546 CG PHE A 33 -5.203 -3.498 2.442 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.045 -3.831 1.767 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.288 -3.031 1.723 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.968 -3.700 0.393 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.219 -2.896 0.351 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.056 -3.231 -0.316 1.00 0.00 C ATOM 0 H PHE A 33 -4.760 -3.779 6.381 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.488 -2.447 4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.972 -4.646 4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.313 -3.518 4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.191 -4.197 2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.199 -2.769 2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.058 -3.964 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.072 -2.529 -0.200 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.998 -3.126 -1.389 1.00 0.00 H new ATOM 561 N ILE A 34 -5.217 -0.556 3.713 1.00 0.00 N ATOM 562 CA ILE A 34 -5.915 0.724 3.695 1.00 0.00 C ATOM 563 C ILE A 34 -6.552 0.961 2.337 1.00 0.00 C ATOM 564 O ILE A 34 -5.873 0.997 1.310 1.00 0.00 O ATOM 565 CB ILE A 34 -4.989 1.901 4.037 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.100 1.538 5.225 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.808 3.147 4.344 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.031 2.563 5.519 1.00 0.00 C ATOM 0 H ILE A 34 -4.791 -0.815 2.823 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.686 0.672 4.463 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.354 2.112 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.724 1.413 6.110 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.625 0.576 5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.138 3.973 4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.410 3.410 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.463 2.952 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.440 2.237 6.375 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.382 2.672 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.498 3.522 5.745 1.00 0.00 H new ATOM 580 N ASN A 35 -7.863 1.102 2.348 1.00 0.00 N ATOM 581 CA ASN A 35 -8.631 1.316 1.129 1.00 0.00 C ATOM 582 C ASN A 35 -8.608 2.780 0.709 1.00 0.00 C ATOM 583 O ASN A 35 -8.970 3.661 1.487 1.00 0.00 O ATOM 584 CB ASN A 35 -10.076 0.860 1.335 1.00 0.00 C ATOM 585 CG ASN A 35 -10.692 0.297 0.070 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.991 -0.223 -0.799 1.00 0.00 O ATOM 587 ND2 ASN A 35 -12.013 0.396 -0.038 1.00 0.00 N ATOM 0 H ASN A 35 -8.428 1.072 3.197 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.172 0.727 0.335 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.107 0.103 2.118 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.674 1.703 1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.486 0.033 -0.866 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.554 0.835 0.707 1.00 0.00 H new ATOM 594 N ILE A 36 -8.194 3.030 -0.529 1.00 0.00 N ATOM 595 CA ILE A 36 -8.143 4.388 -1.051 1.00 0.00 C ATOM 596 C ILE A 36 -9.351 4.684 -1.937 1.00 0.00 C ATOM 597 O ILE A 36 -9.614 5.836 -2.273 1.00 0.00 O ATOM 598 CB ILE A 36 -6.850 4.657 -1.846 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.758 3.738 -3.067 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.634 4.480 -0.951 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.004 4.355 -4.227 1.00 0.00 C ATOM 0 H ILE A 36 -7.890 2.312 -1.186 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.158 5.051 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.875 5.687 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.268 2.809 -2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.765 3.478 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.728 4.673 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.691 5.180 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.610 3.460 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.976 3.651 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.506 5.269 -4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.986 4.589 -3.916 1.00 0.00 H new ATOM 613 N MET A 37 -10.086 3.640 -2.309 1.00 0.00 N ATOM 614 CA MET A 37 -11.264 3.803 -3.149 1.00 0.00 C ATOM 615 C MET A 37 -12.500 3.224 -2.466 1.00 0.00 C ATOM 616 O MET A 37 -12.930 2.116 -2.785 1.00 0.00 O ATOM 617 CB MET A 37 -11.061 3.122 -4.506 1.00 0.00 C ATOM 618 CG MET A 37 -11.969 3.659 -5.599 1.00 0.00 C ATOM 619 SD MET A 37 -12.041 2.574 -7.038 1.00 0.00 S ATOM 620 CE MET A 37 -10.623 3.147 -7.971 1.00 0.00 C ATOM 0 H MET A 37 -9.886 2.676 -2.042 1.00 0.00 H new ATOM 0 HA MET A 37 -11.414 4.871 -3.307 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.023 3.247 -4.814 1.00 0.00 H new ATOM 0 HB3 MET A 37 -11.234 2.052 -4.395 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.974 3.792 -5.198 1.00 0.00 H new ATOM 0 HG3 MET A 37 -11.616 4.643 -5.908 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.898 3.256 -9.020 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.295 4.110 -7.580 1.00 0.00 H new ATOM 0 HE3 MET A 37 -9.812 2.424 -7.881 1.00 0.00 H new ATOM 630 N PRO A 38 -13.089 3.965 -1.512 1.00 0.00 N ATOM 631 CA PRO A 38 -14.283 3.511 -0.794 1.00 0.00 C ATOM 632 C PRO A 38 -15.484 3.395 -1.721 1.00 0.00 C ATOM 633 O PRO A 38 -16.438 2.670 -1.440 1.00 0.00 O ATOM 634 CB PRO A 38 -14.524 4.601 0.257 1.00 0.00 C ATOM 635 CG PRO A 38 -13.265 5.398 0.304 1.00 0.00 C ATOM 636 CD PRO A 38 -12.651 5.291 -1.062 1.00 0.00 C ATOM 0 HA PRO A 38 -14.145 2.521 -0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.374 5.227 -0.015 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.748 4.164 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.472 6.438 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.588 5.012 1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.003 6.080 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.564 5.367 -1.024 1.00 0.00 H new ATOM 644 N GLU A 39 -15.422 4.115 -2.835 1.00 0.00 N ATOM 645 CA GLU A 39 -16.488 4.104 -3.823 1.00 0.00 C ATOM 646 C GLU A 39 -15.891 4.085 -5.221 1.00 0.00 C ATOM 647 O GLU A 39 -14.920 4.789 -5.500 1.00 0.00 O ATOM 648 CB GLU A 39 -17.389 5.329 -3.650 1.00 0.00 C ATOM 649 CG GLU A 39 -18.839 5.075 -4.030 1.00 0.00 C ATOM 650 CD GLU A 39 -19.755 6.218 -3.634 1.00 0.00 C ATOM 651 OE1 GLU A 39 -19.542 7.347 -4.122 1.00 0.00 O ATOM 652 OE2 GLU A 39 -20.689 5.982 -2.838 1.00 0.00 O ATOM 0 H GLU A 39 -14.636 4.718 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.093 3.209 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.346 5.658 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.000 6.145 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.906 4.917 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.181 4.158 -3.551 1.00 0.00 H new ATOM 659 N LYS A 40 -16.463 3.272 -6.101 1.00 0.00 N ATOM 660 CA LYS A 40 -15.961 3.163 -7.465 1.00 0.00 C ATOM 661 C LYS A 40 -16.038 4.484 -8.214 1.00 0.00 C ATOM 662 O LYS A 40 -15.498 4.628 -9.311 1.00 0.00 O ATOM 663 CB LYS A 40 -16.706 2.072 -8.233 1.00 0.00 C ATOM 664 CG LYS A 40 -15.881 1.441 -9.342 1.00 0.00 C ATOM 665 CD LYS A 40 -16.751 1.033 -10.518 1.00 0.00 C ATOM 666 CE LYS A 40 -16.003 0.119 -11.474 1.00 0.00 C ATOM 667 NZ LYS A 40 -16.735 -0.059 -12.757 1.00 0.00 N ATOM 0 H LYS A 40 -17.270 2.682 -5.896 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.908 2.889 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.017 1.295 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.614 2.496 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -15.121 2.146 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.357 0.567 -8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.644 0.526 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.085 1.923 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.015 0.533 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.852 -0.853 -11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.192 -0.689 -13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.668 -0.478 -12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.857 0.865 -13.218 1.00 0.00 H new ATOM 681 N GLY A 41 -16.700 5.439 -7.604 1.00 0.00 N ATOM 682 CA GLY A 41 -16.846 6.753 -8.199 1.00 0.00 C ATOM 683 C GLY A 41 -15.581 7.583 -8.088 1.00 0.00 C ATOM 684 O GLY A 41 -15.052 8.058 -9.092 1.00 0.00 O ATOM 0 H GLY A 41 -17.148 5.333 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.115 6.645 -9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.667 7.280 -7.712 1.00 0.00 H new ATOM 688 N VAL A 42 -15.096 7.755 -6.862 1.00 0.00 N ATOM 689 CA VAL A 42 -13.889 8.538 -6.624 1.00 0.00 C ATOM 690 C VAL A 42 -13.134 8.044 -5.395 1.00 0.00 C ATOM 691 O VAL A 42 -13.741 7.724 -4.373 1.00 0.00 O ATOM 692 CB VAL A 42 -14.224 10.030 -6.431 1.00 0.00 C ATOM 693 CG1 VAL A 42 -12.953 10.863 -6.364 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.135 10.523 -7.544 1.00 0.00 C ATOM 0 H VAL A 42 -15.519 7.364 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.259 8.415 -7.505 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.752 10.142 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.213 11.913 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.342 10.528 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.392 10.746 -7.291 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.360 11.578 -7.390 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.637 10.395 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.062 9.950 -7.536 1.00 0.00 H new ATOM 704 N PHE A 43 -11.806 7.997 -5.490 1.00 0.00 N ATOM 705 CA PHE A 43 -10.985 7.558 -4.362 1.00 0.00 C ATOM 706 C PHE A 43 -11.237 8.456 -3.152 1.00 0.00 C ATOM 707 O PHE A 43 -11.902 9.485 -3.264 1.00 0.00 O ATOM 708 CB PHE A 43 -9.487 7.565 -4.707 1.00 0.00 C ATOM 709 CG PHE A 43 -9.178 7.556 -6.179 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.691 6.569 -7.004 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.372 8.535 -6.735 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.406 6.559 -8.355 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.083 8.530 -8.086 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.601 7.541 -8.897 1.00 0.00 C ATOM 0 H PHE A 43 -11.280 8.254 -6.325 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.270 6.532 -4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.030 8.448 -4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.019 6.695 -4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.321 5.798 -6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.964 9.312 -6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.813 5.784 -8.987 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.452 9.299 -8.507 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.377 7.535 -9.954 1.00 0.00 H new ATOM 724 N ASP A 44 -10.713 8.062 -1.996 1.00 0.00 N ATOM 725 CA ASP A 44 -10.903 8.833 -0.771 1.00 0.00 C ATOM 726 C ASP A 44 -9.814 9.891 -0.589 1.00 0.00 C ATOM 727 O ASP A 44 -8.664 9.568 -0.302 1.00 0.00 O ATOM 728 CB ASP A 44 -10.924 7.905 0.443 1.00 0.00 C ATOM 729 CG ASP A 44 -9.780 6.912 0.438 1.00 0.00 C ATOM 730 OD1 ASP A 44 -8.808 7.130 -0.316 1.00 0.00 O ATOM 731 OD2 ASP A 44 -9.857 5.918 1.188 1.00 0.00 O ATOM 0 H ASP A 44 -10.155 7.216 -1.881 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.861 9.346 -0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.877 8.503 1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.870 7.364 0.465 1.00 0.00 H new ATOM 736 N ASP A 45 -10.192 11.158 -0.743 1.00 0.00 N ATOM 737 CA ASP A 45 -9.252 12.268 -0.593 1.00 0.00 C ATOM 738 C ASP A 45 -8.601 12.272 0.791 1.00 0.00 C ATOM 739 O ASP A 45 -7.460 12.709 0.945 1.00 0.00 O ATOM 740 CB ASP A 45 -9.967 13.601 -0.827 1.00 0.00 C ATOM 741 CG ASP A 45 -10.147 13.910 -2.300 1.00 0.00 C ATOM 742 OD1 ASP A 45 -9.154 13.821 -3.051 1.00 0.00 O ATOM 743 OD2 ASP A 45 -11.282 14.243 -2.702 1.00 0.00 O ATOM 0 H ASP A 45 -11.144 11.443 -0.972 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.467 12.137 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.943 13.577 -0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.397 14.403 -0.357 1.00 0.00 H new ATOM 748 N GLU A 46 -9.332 11.799 1.799 1.00 0.00 N ATOM 749 CA GLU A 46 -8.816 11.765 3.167 1.00 0.00 C ATOM 750 C GLU A 46 -7.466 11.056 3.224 1.00 0.00 C ATOM 751 O GLU A 46 -6.543 11.511 3.901 1.00 0.00 O ATOM 752 CB GLU A 46 -9.810 11.075 4.104 1.00 0.00 C ATOM 753 CG GLU A 46 -10.418 9.810 3.525 1.00 0.00 C ATOM 754 CD GLU A 46 -10.174 8.590 4.394 1.00 0.00 C ATOM 755 OE1 GLU A 46 -9.177 8.588 5.146 1.00 0.00 O ATOM 756 OE2 GLU A 46 -10.978 7.638 4.321 1.00 0.00 O ATOM 0 H GLU A 46 -10.279 11.435 1.695 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.680 12.795 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.305 10.830 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.610 11.773 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.491 9.952 3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.002 9.633 2.533 1.00 0.00 H new ATOM 763 N LYS A 47 -7.352 9.948 2.500 1.00 0.00 N ATOM 764 CA LYS A 47 -6.108 9.194 2.460 1.00 0.00 C ATOM 765 C LYS A 47 -5.139 9.846 1.486 1.00 0.00 C ATOM 766 O LYS A 47 -3.937 9.933 1.742 1.00 0.00 O ATOM 767 CB LYS A 47 -6.369 7.743 2.051 1.00 0.00 C ATOM 768 CG LYS A 47 -7.559 7.115 2.758 1.00 0.00 C ATOM 769 CD LYS A 47 -7.191 6.641 4.154 1.00 0.00 C ATOM 770 CE LYS A 47 -8.256 5.719 4.726 1.00 0.00 C ATOM 771 NZ LYS A 47 -7.942 5.303 6.121 1.00 0.00 N ATOM 0 H LYS A 47 -8.104 9.554 1.935 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.668 9.196 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.534 7.702 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.479 7.150 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.370 7.840 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.929 6.273 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.235 6.119 4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.063 7.502 4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.222 6.224 4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.347 4.835 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.684 4.662 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.025 4.813 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.898 6.143 6.732 1.00 0.00 H new ATOM 785 N ILE A 48 -5.678 10.322 0.370 1.00 0.00 N ATOM 786 CA ILE A 48 -4.880 10.987 -0.648 1.00 0.00 C ATOM 787 C ILE A 48 -4.113 12.163 -0.050 1.00 0.00 C ATOM 788 O ILE A 48 -2.923 12.339 -0.309 1.00 0.00 O ATOM 789 CB ILE A 48 -5.772 11.497 -1.802 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.511 10.333 -2.467 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.954 12.264 -2.828 1.00 0.00 C ATOM 792 CD1 ILE A 48 -5.599 9.237 -2.975 1.00 0.00 C ATOM 0 H ILE A 48 -6.671 10.258 0.148 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.172 10.256 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.509 12.180 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.213 9.905 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.099 10.718 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.607 12.611 -3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.481 13.121 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.187 11.611 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.197 8.449 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.913 9.648 -3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.029 8.823 -2.143 1.00 0.00 H new ATOM 804 N ALA A 49 -4.811 12.970 0.746 1.00 0.00 N ATOM 805 CA ALA A 49 -4.206 14.137 1.378 1.00 0.00 C ATOM 806 C ALA A 49 -3.137 13.730 2.385 1.00 0.00 C ATOM 807 O ALA A 49 -1.985 14.156 2.289 1.00 0.00 O ATOM 808 CB ALA A 49 -5.276 14.981 2.057 1.00 0.00 C ATOM 0 H ALA A 49 -5.797 12.836 0.968 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.725 14.730 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.812 15.849 2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.002 15.314 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.781 14.385 2.817 1.00 0.00 H new ATOM 814 N GLU A 50 -3.523 12.906 3.355 1.00 0.00 N ATOM 815 CA GLU A 50 -2.590 12.449 4.376 1.00 0.00 C ATOM 816 C GLU A 50 -1.437 11.677 3.742 1.00 0.00 C ATOM 817 O GLU A 50 -0.321 11.670 4.262 1.00 0.00 O ATOM 818 CB GLU A 50 -3.307 11.578 5.414 1.00 0.00 C ATOM 819 CG GLU A 50 -3.693 10.197 4.905 1.00 0.00 C ATOM 820 CD GLU A 50 -4.766 9.543 5.753 1.00 0.00 C ATOM 821 OE1 GLU A 50 -5.841 10.156 5.929 1.00 0.00 O ATOM 822 OE2 GLU A 50 -4.531 8.420 6.245 1.00 0.00 O ATOM 0 H GLU A 50 -4.471 12.543 3.454 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.184 13.325 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.662 11.465 6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.207 12.095 5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.047 10.278 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.809 9.560 4.889 1.00 0.00 H new ATOM 829 N LEU A 51 -1.709 11.043 2.605 1.00 0.00 N ATOM 830 CA LEU A 51 -0.695 10.279 1.896 1.00 0.00 C ATOM 831 C LEU A 51 0.489 11.170 1.542 1.00 0.00 C ATOM 832 O LEU A 51 1.627 10.886 1.915 1.00 0.00 O ATOM 833 CB LEU A 51 -1.292 9.662 0.628 1.00 0.00 C ATOM 834 CG LEU A 51 -0.279 9.103 -0.374 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.779 8.271 0.335 1.00 0.00 C ATOM 836 CD2 LEU A 51 -0.989 8.273 -1.433 1.00 0.00 C ATOM 0 H LEU A 51 -2.625 11.045 2.157 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.344 9.477 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.969 8.859 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.894 10.419 0.125 1.00 0.00 H new ATOM 0 HG LEU A 51 0.219 9.940 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.488 7.884 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.307 8.893 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.301 7.439 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.257 7.881 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.512 7.444 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.707 8.898 -1.964 1.00 0.00 H new ATOM 848 N LEU A 52 0.211 12.256 0.826 1.00 0.00 N ATOM 849 CA LEU A 52 1.242 13.198 0.425 1.00 0.00 C ATOM 850 C LEU A 52 2.062 13.649 1.626 1.00 0.00 C ATOM 851 O LEU A 52 3.291 13.691 1.576 1.00 0.00 O ATOM 852 CB LEU A 52 0.584 14.385 -0.244 1.00 0.00 C ATOM 853 CG LEU A 52 -0.519 14.018 -1.235 1.00 0.00 C ATOM 854 CD1 LEU A 52 -0.601 15.072 -2.293 1.00 0.00 C ATOM 855 CD2 LEU A 52 -0.269 12.658 -1.878 1.00 0.00 C ATOM 0 H LEU A 52 -0.727 12.503 0.512 1.00 0.00 H new ATOM 0 HA LEU A 52 1.923 12.712 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.164 15.034 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.347 14.962 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.461 13.958 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.387 14.815 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.829 16.033 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.353 15.138 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.075 12.432 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.680 12.678 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.234 11.891 -1.105 1.00 0.00 H new ATOM 867 N THR A 53 1.368 13.975 2.711 1.00 0.00 N ATOM 868 CA THR A 53 2.026 14.411 3.936 1.00 0.00 C ATOM 869 C THR A 53 2.943 13.314 4.462 1.00 0.00 C ATOM 870 O THR A 53 4.041 13.585 4.947 1.00 0.00 O ATOM 871 CB THR A 53 0.988 14.783 4.996 1.00 0.00 C ATOM 872 OG1 THR A 53 0.062 15.722 4.482 1.00 0.00 O ATOM 873 CG2 THR A 53 1.597 15.375 6.248 1.00 0.00 C ATOM 0 H THR A 53 0.350 13.945 2.767 1.00 0.00 H new ATOM 0 HA THR A 53 2.626 15.293 3.711 1.00 0.00 H new ATOM 0 HB THR A 53 0.496 13.847 5.260 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.595 15.946 5.174 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.806 15.616 6.958 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.280 14.654 6.697 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.144 16.282 5.992 1.00 0.00 H new ATOM 881 N LYS A 54 2.485 12.069 4.350 1.00 0.00 N ATOM 882 CA LYS A 54 3.264 10.924 4.805 1.00 0.00 C ATOM 883 C LYS A 54 4.534 10.776 3.972 1.00 0.00 C ATOM 884 O LYS A 54 5.594 10.432 4.493 1.00 0.00 O ATOM 885 CB LYS A 54 2.428 9.644 4.719 1.00 0.00 C ATOM 886 CG LYS A 54 1.611 9.367 5.970 1.00 0.00 C ATOM 887 CD LYS A 54 2.386 8.518 6.965 1.00 0.00 C ATOM 888 CE LYS A 54 2.077 7.040 6.796 1.00 0.00 C ATOM 889 NZ LYS A 54 2.919 6.190 7.682 1.00 0.00 N ATOM 0 H LYS A 54 1.579 11.829 3.948 1.00 0.00 H new ATOM 0 HA LYS A 54 3.546 11.092 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.755 9.716 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.091 8.799 4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.328 10.310 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.687 8.857 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.455 8.685 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.139 8.829 7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.024 6.862 7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.238 6.752 5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.881 5.203 7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.903 6.526 7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.562 6.245 8.657 1.00 0.00 H new ATOM 903 N LEU A 55 4.416 11.048 2.675 1.00 0.00 N ATOM 904 CA LEU A 55 5.554 10.953 1.766 1.00 0.00 C ATOM 905 C LEU A 55 6.674 11.902 2.192 1.00 0.00 C ATOM 906 O LEU A 55 7.828 11.730 1.799 1.00 0.00 O ATOM 907 CB LEU A 55 5.120 11.286 0.336 1.00 0.00 C ATOM 908 CG LEU A 55 4.264 10.227 -0.374 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.685 10.100 -1.825 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.360 8.874 0.318 1.00 0.00 C ATOM 0 H LEU A 55 3.544 11.336 2.230 1.00 0.00 H new ATOM 0 HA LEU A 55 5.928 9.930 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.561 12.222 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.014 11.462 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 55 3.225 10.554 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.071 9.346 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.555 11.059 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.733 9.804 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.742 8.150 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.397 8.537 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.011 8.966 1.346 1.00 0.00 H new ATOM 922 N GLY A 56 6.323 12.910 2.989 1.00 0.00 N ATOM 923 CA GLY A 56 7.307 13.878 3.448 1.00 0.00 C ATOM 924 C GLY A 56 7.445 15.048 2.494 1.00 0.00 C ATOM 925 O GLY A 56 6.757 16.059 2.638 1.00 0.00 O ATOM 0 H GLY A 56 5.374 13.074 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.020 14.246 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.273 13.386 3.560 1.00 0.00 H new ATOM 929 N ARG A 57 8.332 14.912 1.514 1.00 0.00 N ATOM 930 CA ARG A 57 8.552 15.966 0.528 1.00 0.00 C ATOM 931 C ARG A 57 8.725 15.367 -0.862 1.00 0.00 C ATOM 932 O ARG A 57 9.443 15.909 -1.702 1.00 0.00 O ATOM 933 CB ARG A 57 9.778 16.803 0.900 1.00 0.00 C ATOM 934 CG ARG A 57 11.010 15.972 1.217 1.00 0.00 C ATOM 935 CD ARG A 57 11.902 16.665 2.235 1.00 0.00 C ATOM 936 NE ARG A 57 12.623 17.794 1.653 1.00 0.00 N ATOM 937 CZ ARG A 57 13.287 18.699 2.369 1.00 0.00 C ATOM 938 NH1 ARG A 57 13.325 18.610 3.692 1.00 0.00 N ATOM 939 NH2 ARG A 57 13.917 19.695 1.760 1.00 0.00 N ATOM 0 H ARG A 57 8.911 14.083 1.381 1.00 0.00 H new ATOM 0 HA ARG A 57 7.677 16.616 0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.009 17.480 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.536 17.422 1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.705 14.999 1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.573 15.791 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.295 17.014 3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 57 12.617 15.948 2.638 1.00 0.00 H new ATOM 0 HE ARG A 57 12.617 17.895 0.638 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.844 17.845 4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.835 19.306 4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.893 19.768 0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.426 20.388 2.309 1.00 0.00 H new ATOM 953 N ASP A 58 8.052 14.248 -1.089 1.00 0.00 N ATOM 954 CA ASP A 58 8.104 13.555 -2.368 1.00 0.00 C ATOM 955 C ASP A 58 6.707 13.431 -2.961 1.00 0.00 C ATOM 956 O ASP A 58 5.867 12.690 -2.450 1.00 0.00 O ATOM 957 CB ASP A 58 8.725 12.167 -2.197 1.00 0.00 C ATOM 958 CG ASP A 58 9.398 11.676 -3.463 1.00 0.00 C ATOM 959 OD1 ASP A 58 8.788 11.800 -4.546 1.00 0.00 O ATOM 960 OD2 ASP A 58 10.535 11.168 -3.372 1.00 0.00 O ATOM 0 H ASP A 58 7.457 13.796 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 58 8.725 14.136 -3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.455 12.196 -1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.950 11.459 -1.902 1.00 0.00 H new ATOM 965 N THR A 59 6.463 14.157 -4.041 1.00 0.00 N ATOM 966 CA THR A 59 5.165 14.124 -4.702 1.00 0.00 C ATOM 967 C THR A 59 5.033 12.868 -5.553 1.00 0.00 C ATOM 968 O THR A 59 5.997 12.420 -6.174 1.00 0.00 O ATOM 969 CB THR A 59 4.974 15.369 -5.570 1.00 0.00 C ATOM 970 OG1 THR A 59 3.677 15.390 -6.139 1.00 0.00 O ATOM 971 CG2 THR A 59 5.974 15.469 -6.702 1.00 0.00 C ATOM 0 H THR A 59 7.145 14.776 -4.479 1.00 0.00 H new ATOM 0 HA THR A 59 4.390 14.111 -3.935 1.00 0.00 H new ATOM 0 HB THR A 59 5.124 16.214 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.574 16.195 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.782 16.374 -7.278 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.984 15.506 -6.293 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.877 14.599 -7.351 1.00 0.00 H new ATOM 979 N GLN A 60 3.834 12.295 -5.564 1.00 0.00 N ATOM 980 CA GLN A 60 3.576 11.084 -6.322 1.00 0.00 C ATOM 981 C GLN A 60 3.579 11.364 -7.814 1.00 0.00 C ATOM 982 O GLN A 60 2.579 11.794 -8.387 1.00 0.00 O ATOM 983 CB GLN A 60 2.236 10.477 -5.915 1.00 0.00 C ATOM 984 CG GLN A 60 1.102 11.487 -5.857 1.00 0.00 C ATOM 985 CD GLN A 60 -0.195 10.939 -6.417 1.00 0.00 C ATOM 986 OE1 GLN A 60 -0.264 10.540 -7.580 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.234 10.917 -5.590 1.00 0.00 N ATOM 0 H GLN A 60 3.027 12.653 -5.054 1.00 0.00 H new ATOM 0 HA GLN A 60 4.374 10.375 -6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.974 9.690 -6.622 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.342 10.006 -4.938 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.946 11.794 -4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.386 12.379 -6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.132 11.258 -4.634 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.134 10.559 -5.911 1.00 0.00 H new ATOM 996 N ILE A 61 4.712 11.093 -8.434 1.00 0.00 N ATOM 997 CA ILE A 61 4.873 11.289 -9.869 1.00 0.00 C ATOM 998 C ILE A 61 4.277 10.115 -10.638 1.00 0.00 C ATOM 999 O ILE A 61 4.996 9.216 -11.074 1.00 0.00 O ATOM 1000 CB ILE A 61 6.359 11.456 -10.253 1.00 0.00 C ATOM 1001 CG1 ILE A 61 6.502 11.692 -11.759 1.00 0.00 C ATOM 1002 CG2 ILE A 61 7.163 10.237 -9.823 1.00 0.00 C ATOM 1003 CD1 ILE A 61 5.716 12.883 -12.262 1.00 0.00 C ATOM 0 H ILE A 61 5.543 10.733 -7.965 1.00 0.00 H new ATOM 0 HA ILE A 61 4.343 12.204 -10.135 1.00 0.00 H new ATOM 0 HB ILE A 61 6.753 12.328 -9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.556 11.836 -11.997 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.174 10.799 -12.291 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.208 10.373 -10.102 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.089 10.115 -8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.769 9.349 -10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.865 12.989 -13.337 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.656 12.733 -12.055 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.060 13.786 -11.757 1.00 0.00 H new ATOM 1015 N GLY A 62 2.958 10.124 -10.792 1.00 0.00 N ATOM 1016 CA GLY A 62 2.291 9.047 -11.498 1.00 0.00 C ATOM 1017 C GLY A 62 2.425 7.721 -10.774 1.00 0.00 C ATOM 1018 O GLY A 62 2.343 6.658 -11.390 1.00 0.00 O ATOM 0 H GLY A 62 2.340 10.856 -10.441 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.235 9.290 -11.615 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.710 8.956 -12.500 1.00 0.00 H new ATOM 1022 N LEU A 63 2.641 7.786 -9.462 1.00 0.00 N ATOM 1023 CA LEU A 63 2.792 6.583 -8.647 1.00 0.00 C ATOM 1024 C LEU A 63 1.600 5.646 -8.825 1.00 0.00 C ATOM 1025 O LEU A 63 0.528 6.064 -9.264 1.00 0.00 O ATOM 1026 CB LEU A 63 2.950 6.956 -7.169 1.00 0.00 C ATOM 1027 CG LEU A 63 4.318 6.636 -6.562 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.560 5.134 -6.552 1.00 0.00 C ATOM 1029 CD2 LEU A 63 5.420 7.350 -7.330 1.00 0.00 C ATOM 0 H LEU A 63 2.715 8.659 -8.940 1.00 0.00 H new ATOM 0 HA LEU A 63 3.690 6.062 -8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.761 8.024 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.184 6.435 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 63 4.330 6.992 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.537 4.926 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.787 4.645 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.529 4.754 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.386 7.112 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.409 7.024 -8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.256 8.427 -7.286 1.00 0.00 H new ATOM 1041 N THR A 64 1.798 4.378 -8.483 1.00 0.00 N ATOM 1042 CA THR A 64 0.745 3.380 -8.609 1.00 0.00 C ATOM 1043 C THR A 64 0.505 2.659 -7.284 1.00 0.00 C ATOM 1044 O THR A 64 1.314 2.742 -6.360 1.00 0.00 O ATOM 1045 CB THR A 64 1.110 2.367 -9.695 1.00 0.00 C ATOM 1046 OG1 THR A 64 1.517 3.028 -10.880 1.00 0.00 O ATOM 1047 CG2 THR A 64 -0.027 1.437 -10.059 1.00 0.00 C ATOM 0 H THR A 64 2.679 4.018 -8.116 1.00 0.00 H new ATOM 0 HA THR A 64 -0.175 3.894 -8.888 1.00 0.00 H new ATOM 0 HB THR A 64 1.920 1.774 -9.272 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.748 2.364 -11.562 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.302 0.746 -10.835 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.333 0.874 -9.177 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.871 2.021 -10.428 1.00 0.00 H new ATOM 1055 N MET A 65 -0.615 1.948 -7.206 1.00 0.00 N ATOM 1056 CA MET A 65 -0.969 1.202 -6.007 1.00 0.00 C ATOM 1057 C MET A 65 -0.581 -0.264 -6.158 1.00 0.00 C ATOM 1058 O MET A 65 -0.462 -0.768 -7.275 1.00 0.00 O ATOM 1059 CB MET A 65 -2.471 1.322 -5.735 1.00 0.00 C ATOM 1060 CG MET A 65 -2.974 2.758 -5.712 1.00 0.00 C ATOM 1061 SD MET A 65 -2.069 3.794 -4.547 1.00 0.00 S ATOM 1062 CE MET A 65 -2.057 5.356 -5.423 1.00 0.00 C ATOM 0 H MET A 65 -1.295 1.874 -7.963 1.00 0.00 H new ATOM 0 HA MET A 65 -0.422 1.622 -5.163 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.015 0.768 -6.499 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.697 0.851 -4.778 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.890 3.184 -6.712 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.032 2.764 -5.451 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.531 6.103 -4.828 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.551 5.232 -6.381 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.082 5.685 -5.594 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.365 -0.974 -5.037 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.489 -0.433 -3.685 1.00 0.00 C ATOM 1074 C PRO A 66 0.790 0.241 -3.189 1.00 0.00 C ATOM 1075 O PRO A 66 1.898 -0.154 -3.555 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.790 -1.680 -2.834 1.00 0.00 C ATOM 1077 CG PRO A 66 -0.751 -2.843 -3.779 1.00 0.00 C ATOM 1078 CD PRO A 66 0.006 -2.381 -4.989 1.00 0.00 C ATOM 0 HA PRO A 66 -1.252 0.344 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.053 -1.798 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.765 -1.599 -2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.261 -3.701 -3.319 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.759 -3.158 -4.049 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.082 -2.519 -4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.293 -2.916 -5.890 1.00 0.00 H new ATOM 1086 N GLN A 67 0.623 1.244 -2.330 1.00 0.00 N ATOM 1087 CA GLN A 67 1.752 1.963 -1.757 1.00 0.00 C ATOM 1088 C GLN A 67 1.900 1.607 -0.283 1.00 0.00 C ATOM 1089 O GLN A 67 1.036 1.930 0.531 1.00 0.00 O ATOM 1090 CB GLN A 67 1.564 3.471 -1.921 1.00 0.00 C ATOM 1091 CG GLN A 67 2.174 4.023 -3.198 1.00 0.00 C ATOM 1092 CD GLN A 67 1.817 5.479 -3.434 1.00 0.00 C ATOM 1093 OE1 GLN A 67 1.324 5.843 -4.502 1.00 0.00 O ATOM 1094 NE2 GLN A 67 2.067 6.319 -2.437 1.00 0.00 N ATOM 0 H GLN A 67 -0.289 1.576 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 67 2.659 1.670 -2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.498 3.700 -1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.009 3.980 -1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.258 3.922 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.834 3.428 -4.045 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.476 5.973 -1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.850 7.310 -2.539 1.00 0.00 H new ATOM 1103 N VAL A 68 2.981 0.918 0.052 1.00 0.00 N ATOM 1104 CA VAL A 68 3.213 0.499 1.428 1.00 0.00 C ATOM 1105 C VAL A 68 3.986 1.546 2.227 1.00 0.00 C ATOM 1106 O VAL A 68 4.616 2.441 1.664 1.00 0.00 O ATOM 1107 CB VAL A 68 3.972 -0.845 1.493 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.830 -1.472 2.871 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.477 -1.801 0.413 1.00 0.00 C ATOM 0 H VAL A 68 3.709 0.638 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 68 2.226 0.377 1.874 1.00 0.00 H new ATOM 0 HB VAL A 68 5.029 -0.648 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.371 -2.418 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.241 -0.797 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.776 -1.651 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.026 -2.740 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.413 -1.992 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.637 -1.355 -0.569 1.00 0.00 H new ATOM 1119 N PHE A 69 3.934 1.410 3.552 1.00 0.00 N ATOM 1120 CA PHE A 69 4.625 2.325 4.453 1.00 0.00 C ATOM 1121 C PHE A 69 5.210 1.557 5.634 1.00 0.00 C ATOM 1122 O PHE A 69 4.573 0.659 6.184 1.00 0.00 O ATOM 1123 CB PHE A 69 3.662 3.401 4.960 1.00 0.00 C ATOM 1124 CG PHE A 69 3.425 4.506 3.975 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.296 5.579 3.899 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.330 4.470 3.126 1.00 0.00 C ATOM 1127 CE1 PHE A 69 4.081 6.599 2.993 1.00 0.00 C ATOM 1128 CE2 PHE A 69 2.109 5.489 2.216 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.987 6.554 2.150 1.00 0.00 C ATOM 0 H PHE A 69 3.416 0.669 4.025 1.00 0.00 H new ATOM 0 HA PHE A 69 5.435 2.806 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.708 2.936 5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.058 3.826 5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.153 5.619 4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.642 3.639 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.767 7.431 2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.253 5.452 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.818 7.350 1.440 1.00 0.00 H new ATOM 1139 N ALA A 70 6.440 1.901 5.999 1.00 0.00 N ATOM 1140 CA ALA A 70 7.142 1.235 7.092 1.00 0.00 C ATOM 1141 C ALA A 70 6.298 1.174 8.363 1.00 0.00 C ATOM 1142 O ALA A 70 5.445 2.030 8.597 1.00 0.00 O ATOM 1143 CB ALA A 70 8.460 1.942 7.378 1.00 0.00 C ATOM 0 H ALA A 70 6.976 2.644 5.550 1.00 0.00 H new ATOM 0 HA ALA A 70 7.338 0.210 6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.974 1.436 8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.086 1.920 6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.264 2.977 7.658 1.00 0.00 H new ATOM 1149 N PRO A 71 6.538 0.153 9.207 1.00 0.00 N ATOM 1150 CA PRO A 71 5.815 -0.017 10.472 1.00 0.00 C ATOM 1151 C PRO A 71 5.902 1.224 11.351 1.00 0.00 C ATOM 1152 O PRO A 71 5.040 1.461 12.197 1.00 0.00 O ATOM 1153 CB PRO A 71 6.535 -1.199 11.132 1.00 0.00 C ATOM 1154 CG PRO A 71 7.125 -1.952 9.995 1.00 0.00 C ATOM 1155 CD PRO A 71 7.542 -0.907 9.002 1.00 0.00 C ATOM 0 HA PRO A 71 4.749 -0.184 10.320 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.304 -0.859 11.826 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.843 -1.818 11.702 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.977 -2.549 10.319 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.400 -2.640 9.561 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.554 -0.549 9.192 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.525 -1.289 7.981 1.00 0.00 H new ATOM 1163 N ASP A 72 6.947 2.017 11.139 1.00 0.00 N ATOM 1164 CA ASP A 72 7.152 3.241 11.906 1.00 0.00 C ATOM 1165 C ASP A 72 6.734 4.469 11.099 1.00 0.00 C ATOM 1166 O ASP A 72 6.438 5.522 11.663 1.00 0.00 O ATOM 1167 CB ASP A 72 8.620 3.366 12.320 1.00 0.00 C ATOM 1168 CG ASP A 72 9.561 3.312 11.134 1.00 0.00 C ATOM 1169 OD1 ASP A 72 9.606 4.296 10.366 1.00 0.00 O ATOM 1170 OD2 ASP A 72 10.253 2.284 10.971 1.00 0.00 O ATOM 0 H ASP A 72 7.667 1.833 10.440 1.00 0.00 H new ATOM 0 HA ASP A 72 6.530 3.188 12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.766 4.305 12.853 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.868 2.563 13.014 1.00 0.00 H new ATOM 1175 N GLY A 73 6.714 4.329 9.775 1.00 0.00 N ATOM 1176 CA GLY A 73 6.331 5.436 8.920 1.00 0.00 C ATOM 1177 C GLY A 73 7.409 5.802 7.918 1.00 0.00 C ATOM 1178 O GLY A 73 8.224 6.689 8.170 1.00 0.00 O ATOM 0 H GLY A 73 6.956 3.470 9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.417 5.178 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.104 6.305 9.538 1.00 0.00 H new ATOM 1182 N SER A 74 7.416 5.115 6.779 1.00 0.00 N ATOM 1183 CA SER A 74 8.402 5.372 5.733 1.00 0.00 C ATOM 1184 C SER A 74 7.986 4.714 4.420 1.00 0.00 C ATOM 1185 O SER A 74 7.710 3.517 4.377 1.00 0.00 O ATOM 1186 CB SER A 74 9.774 4.852 6.159 1.00 0.00 C ATOM 1187 OG SER A 74 9.989 5.044 7.547 1.00 0.00 O ATOM 0 H SER A 74 6.750 4.376 6.557 1.00 0.00 H new ATOM 0 HA SER A 74 8.459 6.450 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.854 3.792 5.920 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.552 5.366 5.594 1.00 0.00 H new ATOM 0 HG SER A 74 9.720 5.953 7.797 1.00 0.00 H new ATOM 1193 N HIS A 75 7.942 5.501 3.351 1.00 0.00 N ATOM 1194 CA HIS A 75 7.560 4.985 2.042 1.00 0.00 C ATOM 1195 C HIS A 75 8.533 3.903 1.581 1.00 0.00 C ATOM 1196 O HIS A 75 9.721 4.164 1.395 1.00 0.00 O ATOM 1197 CB HIS A 75 7.517 6.119 1.015 1.00 0.00 C ATOM 1198 CG HIS A 75 6.598 5.851 -0.135 1.00 0.00 C ATOM 1199 ND1 HIS A 75 6.803 6.331 -1.410 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.446 5.135 -0.186 1.00 0.00 C ATOM 1201 CE1 HIS A 75 5.793 5.901 -2.178 1.00 0.00 C ATOM 1202 NE2 HIS A 75 4.941 5.171 -1.483 1.00 0.00 N ATOM 0 H HIS A 75 8.165 6.496 3.365 1.00 0.00 H new ATOM 0 HA HIS A 75 6.566 4.545 2.128 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.205 7.037 1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.523 6.290 0.633 1.00 0.00 H new ATOM 0 HD1 HIS A 75 7.585 6.911 -1.715 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.993 4.619 0.648 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.689 6.123 -3.230 1.00 0.00 H new ATOM 1210 N ILE A 76 8.022 2.688 1.398 1.00 0.00 N ATOM 1211 CA ILE A 76 8.851 1.569 0.956 1.00 0.00 C ATOM 1212 C ILE A 76 8.501 1.161 -0.473 1.00 0.00 C ATOM 1213 O ILE A 76 9.345 0.641 -1.203 1.00 0.00 O ATOM 1214 CB ILE A 76 8.708 0.353 1.903 1.00 0.00 C ATOM 1215 CG1 ILE A 76 9.333 0.668 3.262 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.349 -0.892 1.305 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.333 0.676 4.394 1.00 0.00 C ATOM 0 H ILE A 76 7.041 2.453 1.548 1.00 0.00 H new ATOM 0 HA ILE A 76 9.888 1.904 0.981 1.00 0.00 H new ATOM 0 HB ILE A 76 7.645 0.152 2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 76 10.108 -0.068 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.822 1.641 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.232 -1.728 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.865 -1.131 0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.410 -0.709 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.844 0.906 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.571 1.431 4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.861 -0.304 4.470 1.00 0.00 H new ATOM 1229 N GLY A 77 7.254 1.400 -0.868 1.00 0.00 N ATOM 1230 CA GLY A 77 6.826 1.055 -2.211 1.00 0.00 C ATOM 1231 C GLY A 77 5.729 0.012 -2.230 1.00 0.00 C ATOM 1232 O GLY A 77 4.978 -0.129 -1.266 1.00 0.00 O ATOM 0 H GLY A 77 6.534 1.825 -0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.474 1.954 -2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.682 0.685 -2.776 1.00 0.00 H new ATOM 1236 N GLY A 78 5.633 -0.712 -3.338 1.00 0.00 N ATOM 1237 CA GLY A 78 4.617 -1.739 -3.471 1.00 0.00 C ATOM 1238 C GLY A 78 5.134 -3.116 -3.099 1.00 0.00 C ATOM 1239 O GLY A 78 5.803 -3.279 -2.078 1.00 0.00 O ATOM 0 H GLY A 78 6.242 -0.606 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.767 -1.489 -2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.254 -1.756 -4.498 1.00 0.00 H new ATOM 1243 N PHE A 79 4.825 -4.108 -3.927 1.00 0.00 N ATOM 1244 CA PHE A 79 5.260 -5.478 -3.680 1.00 0.00 C ATOM 1245 C PHE A 79 6.749 -5.642 -3.976 1.00 0.00 C ATOM 1246 O PHE A 79 7.547 -5.872 -3.068 1.00 0.00 O ATOM 1247 CB PHE A 79 4.442 -6.454 -4.530 1.00 0.00 C ATOM 1248 CG PHE A 79 4.854 -7.892 -4.377 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.886 -8.493 -3.126 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.207 -8.644 -5.486 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.262 -9.816 -2.988 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.585 -9.966 -5.353 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.613 -10.554 -4.102 1.00 0.00 C ATOM 0 H PHE A 79 4.274 -3.989 -4.777 1.00 0.00 H new ATOM 0 HA PHE A 79 5.096 -5.701 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.389 -6.358 -4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.532 -6.170 -5.579 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.614 -7.921 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.186 -8.191 -6.466 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.281 -10.273 -2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.859 -10.540 -6.226 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.908 -11.587 -3.996 1.00 0.00 H new ATOM 1263 N ASP A 80 7.118 -5.521 -5.248 1.00 0.00 N ATOM 1264 CA ASP A 80 8.514 -5.658 -5.654 1.00 0.00 C ATOM 1265 C ASP A 80 9.391 -4.649 -4.922 1.00 0.00 C ATOM 1266 O ASP A 80 10.394 -5.012 -4.302 1.00 0.00 O ATOM 1267 CB ASP A 80 8.651 -5.464 -7.166 1.00 0.00 C ATOM 1268 CG ASP A 80 10.050 -5.774 -7.662 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.448 -6.956 -7.614 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.746 -4.834 -8.102 1.00 0.00 O ATOM 0 H ASP A 80 6.472 -5.329 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 80 8.845 -6.663 -5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.935 -6.107 -7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.397 -4.436 -7.423 1.00 0.00 H new ATOM 1275 N GLN A 81 9.002 -3.379 -4.993 1.00 0.00 N ATOM 1276 CA GLN A 81 9.749 -2.316 -4.331 1.00 0.00 C ATOM 1277 C GLN A 81 9.995 -2.670 -2.872 1.00 0.00 C ATOM 1278 O GLN A 81 11.089 -2.461 -2.345 1.00 0.00 O ATOM 1279 CB GLN A 81 8.995 -0.990 -4.425 1.00 0.00 C ATOM 1280 CG GLN A 81 8.720 -0.543 -5.851 1.00 0.00 C ATOM 1281 CD GLN A 81 9.977 -0.103 -6.576 1.00 0.00 C ATOM 1282 OE1 GLN A 81 10.269 -0.572 -7.676 1.00 0.00 O ATOM 1283 NE2 GLN A 81 10.727 0.806 -5.964 1.00 0.00 N ATOM 0 H GLN A 81 8.176 -3.062 -5.501 1.00 0.00 H new ATOM 0 HA GLN A 81 10.709 -2.209 -4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.048 -1.082 -3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.572 -0.217 -3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.255 -1.361 -6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.005 0.280 -5.839 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.447 1.168 -5.052 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.583 1.142 -6.406 1.00 0.00 H new ATOM 1292 N LEU A 82 8.973 -3.219 -2.225 1.00 0.00 N ATOM 1293 CA LEU A 82 9.085 -3.612 -0.831 1.00 0.00 C ATOM 1294 C LEU A 82 9.820 -4.938 -0.692 1.00 0.00 C ATOM 1295 O LEU A 82 10.487 -5.177 0.313 1.00 0.00 O ATOM 1296 CB LEU A 82 7.720 -3.707 -0.174 1.00 0.00 C ATOM 1297 CG LEU A 82 7.792 -4.122 1.286 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.798 -3.351 2.126 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.574 -5.612 1.407 1.00 0.00 C ATOM 0 H LEU A 82 8.061 -3.400 -2.645 1.00 0.00 H new ATOM 0 HA LEU A 82 9.661 -2.838 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.219 -2.742 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.109 -4.425 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 82 8.785 -3.884 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.874 -3.671 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.014 -2.285 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.789 -3.541 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.627 -5.903 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.593 -5.870 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.345 -6.139 0.845 1.00 0.00 H new ATOM 1311 N ARG A 83 9.719 -5.794 -1.706 1.00 0.00 N ATOM 1312 CA ARG A 83 10.408 -7.082 -1.675 1.00 0.00 C ATOM 1313 C ARG A 83 11.883 -6.859 -1.376 1.00 0.00 C ATOM 1314 O ARG A 83 12.535 -7.689 -0.746 1.00 0.00 O ATOM 1315 CB ARG A 83 10.242 -7.817 -3.006 1.00 0.00 C ATOM 1316 CG ARG A 83 10.736 -9.253 -2.974 1.00 0.00 C ATOM 1317 CD ARG A 83 9.900 -10.151 -3.872 1.00 0.00 C ATOM 1318 NE ARG A 83 10.507 -11.467 -4.048 1.00 0.00 N ATOM 1319 CZ ARG A 83 10.459 -12.434 -3.135 1.00 0.00 C ATOM 1320 NH1 ARG A 83 9.831 -12.238 -1.983 1.00 0.00 N ATOM 1321 NH2 ARG A 83 11.040 -13.602 -3.375 1.00 0.00 N ATOM 0 H ARG A 83 9.173 -5.622 -2.550 1.00 0.00 H new ATOM 0 HA ARG A 83 9.969 -7.699 -0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.189 -7.810 -3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.782 -7.273 -3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.778 -9.287 -3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.703 -9.627 -1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.904 -10.266 -3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.776 -9.676 -4.845 1.00 0.00 H new ATOM 0 HE ARG A 83 10.997 -11.656 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.382 -11.342 -1.793 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.798 -12.983 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.524 -13.759 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.003 -14.343 -2.675 1.00 0.00 H new ATOM 1335 N GLU A 84 12.397 -5.711 -1.812 1.00 0.00 N ATOM 1336 CA GLU A 84 13.785 -5.360 -1.557 1.00 0.00 C ATOM 1337 C GLU A 84 13.975 -5.116 -0.067 1.00 0.00 C ATOM 1338 O GLU A 84 15.044 -5.367 0.491 1.00 0.00 O ATOM 1339 CB GLU A 84 14.186 -4.118 -2.354 1.00 0.00 C ATOM 1340 CG GLU A 84 15.648 -4.104 -2.769 1.00 0.00 C ATOM 1341 CD GLU A 84 16.592 -4.116 -1.582 1.00 0.00 C ATOM 1342 OE1 GLU A 84 16.301 -3.422 -0.586 1.00 0.00 O ATOM 1343 OE2 GLU A 84 17.623 -4.818 -1.651 1.00 0.00 O ATOM 0 H GLU A 84 11.873 -5.014 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 84 14.424 -6.184 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.564 -4.053 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.979 -3.231 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.851 -4.970 -3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.842 -3.218 -3.373 1.00 0.00 H new ATOM 1350 N TYR A 85 12.910 -4.644 0.575 1.00 0.00 N ATOM 1351 CA TYR A 85 12.918 -4.388 2.003 1.00 0.00 C ATOM 1352 C TYR A 85 13.000 -5.709 2.758 1.00 0.00 C ATOM 1353 O TYR A 85 13.606 -5.798 3.826 1.00 0.00 O ATOM 1354 CB TYR A 85 11.639 -3.644 2.387 1.00 0.00 C ATOM 1355 CG TYR A 85 11.688 -2.976 3.738 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.407 -3.687 4.897 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.999 -1.628 3.852 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.437 -3.071 6.134 1.00 0.00 C ATOM 1359 CE2 TYR A 85 12.034 -1.006 5.083 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.752 -1.731 6.222 1.00 0.00 C ATOM 1361 OH TYR A 85 11.783 -1.114 7.452 1.00 0.00 O ATOM 0 H TYR A 85 12.023 -4.431 0.118 1.00 0.00 H new ATOM 0 HA TYR A 85 13.783 -3.777 2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.431 -2.889 1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.806 -4.347 2.373 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.161 -4.737 4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.217 -1.056 2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.215 -3.636 7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.281 0.043 5.154 1.00 0.00 H new ATOM 0 HH TYR A 85 12.023 -0.171 7.339 1.00 0.00 H new ATOM 1371 N PHE A 86 12.378 -6.735 2.180 1.00 0.00 N ATOM 1372 CA PHE A 86 12.348 -8.069 2.770 1.00 0.00 C ATOM 1373 C PHE A 86 13.450 -8.965 2.205 1.00 0.00 C ATOM 1374 O PHE A 86 14.410 -9.298 2.900 1.00 0.00 O ATOM 1375 CB PHE A 86 10.975 -8.701 2.517 1.00 0.00 C ATOM 1376 CG PHE A 86 9.932 -8.257 3.500 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.220 -8.209 4.853 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.675 -7.870 3.075 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.276 -7.780 5.761 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.724 -7.444 3.980 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.025 -7.396 5.324 1.00 0.00 C ATOM 0 H PHE A 86 11.882 -6.664 1.291 1.00 0.00 H new ATOM 0 HA PHE A 86 12.524 -7.973 3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.646 -8.449 1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.068 -9.786 2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.196 -8.511 5.201 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.434 -7.901 2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.515 -7.744 6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.744 -7.148 3.635 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.284 -7.059 6.033 1.00 0.00 H new ATOM 1391 N LYS A 87 13.299 -9.359 0.943 1.00 0.00 N ATOM 1392 CA LYS A 87 14.274 -10.222 0.285 1.00 0.00 C ATOM 1393 C LYS A 87 14.331 -11.590 0.956 1.00 0.00 C ATOM 1394 O LYS A 87 13.837 -11.709 2.097 1.00 0.00 O ATOM 1395 CB LYS A 87 15.663 -9.577 0.301 1.00 0.00 C ATOM 1396 CG LYS A 87 15.654 -8.108 -0.084 1.00 0.00 C ATOM 1397 CD LYS A 87 17.065 -7.570 -0.257 1.00 0.00 C ATOM 1398 CE LYS A 87 17.702 -8.076 -1.542 1.00 0.00 C ATOM 1399 NZ LYS A 87 18.625 -9.218 -1.293 1.00 0.00 N ATOM 1400 OXT LYS A 87 14.867 -12.532 0.335 1.00 0.00 O ATOM 0 H LYS A 87 12.509 -9.093 0.355 1.00 0.00 H new ATOM 0 HA LYS A 87 13.957 -10.355 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.091 -9.680 1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.315 -10.120 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.097 -7.977 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.135 -7.533 0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.041 -6.480 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 87 17.676 -7.868 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.921 -8.385 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.250 -7.264 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 19.609 -8.881 -1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.422 -9.632 -0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.490 -9.940 -2.029 1.00 0.00 H new