USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=20 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 5 TYR OH : rot 180:sc= 0.00754 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -154:sc= 0.00625 (180deg=0) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0253 (180deg=-0.297) USER MOD Single : A 1 MET N :NH3+ -104:sc= -2.88! (180deg=-6.11!) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= 0.049 (180deg=0.00297) USER MOD Single : A 7 TYR OH : rot 28:sc= 0.835 USER MOD Single : A 9 SER OG : rot -74:sc= 1.1 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.144 F(o=-1.1,f=0.14) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -179:sc= -0.829 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 113:sc= 1.46 USER MOD Single : A 19 ASN : amide:sc= -5.78 K(o=-5.8,f=-19!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 80:sc= 0.808 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00206) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.04 K(o=-2,f=-6.6!) USER MOD Single : A 35 ASN : amide:sc= -0.986 K(o=-0.99,f=-3) USER MOD Single : A 37 MET CE :methyl -149:sc= -2.36! (180deg=-3.59!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 60 GLN : amide:sc= -1.03 X(o=-1,f=-1.5) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 171:sc= 0 (180deg=-0.0736) USER MOD Single : A 67 GLN : amide:sc= -6.57! C(o=-6.6!,f=-8.3!) USER MOD Single : A 74 SER OG : rot 180:sc= -1.08 USER MOD Single : A 75 HIS : no HD1:sc= -0.341 X(o=-0.34,f=0.066) USER MOD Single : A 81 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.089) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.809 -2.263 12.316 1.00 0.00 N ATOM 2 CA MET A 1 2.790 -2.782 11.360 1.00 0.00 C ATOM 3 C MET A 1 2.799 -1.998 10.057 1.00 0.00 C ATOM 4 O MET A 1 2.497 -0.806 10.034 1.00 0.00 O ATOM 5 CB MET A 1 1.425 -2.692 12.036 1.00 0.00 C ATOM 6 CG MET A 1 0.273 -3.261 11.238 1.00 0.00 C ATOM 7 SD MET A 1 -1.311 -3.036 12.070 1.00 0.00 S ATOM 8 CE MET A 1 -1.135 -4.169 13.446 1.00 0.00 C ATOM 0 H1 MET A 1 4.624 -2.909 12.339 1.00 0.00 H new ATOM 0 H2 MET A 1 4.123 -1.320 12.011 1.00 0.00 H new ATOM 0 H3 MET A 1 3.392 -2.198 13.267 1.00 0.00 H new ATOM 0 HA MET A 1 3.020 -3.816 11.105 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.476 -3.213 12.992 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.213 -1.645 12.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.239 -2.781 10.260 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.443 -4.324 11.066 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.108 -4.333 13.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.739 -5.119 13.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.451 -3.745 14.181 1.00 0.00 H new ATOM 20 N PHE A 2 3.151 -2.679 8.970 1.00 0.00 N ATOM 21 CA PHE A 2 3.208 -2.047 7.661 1.00 0.00 C ATOM 22 C PHE A 2 1.929 -1.278 7.375 1.00 0.00 C ATOM 23 O PHE A 2 0.951 -1.376 8.117 1.00 0.00 O ATOM 24 CB PHE A 2 3.450 -3.087 6.567 1.00 0.00 C ATOM 25 CG PHE A 2 4.861 -3.597 6.528 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.267 -4.614 7.373 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.777 -3.061 5.643 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.563 -5.089 7.335 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.074 -3.530 5.598 1.00 0.00 C ATOM 30 CZ PHE A 2 7.467 -4.545 6.446 1.00 0.00 C ATOM 0 H PHE A 2 3.400 -3.668 8.973 1.00 0.00 H new ATOM 0 HA PHE A 2 4.042 -1.345 7.666 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.772 -3.927 6.719 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.203 -2.649 5.600 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.562 -5.042 8.071 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.474 -2.265 4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.868 -5.884 7.999 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.780 -3.104 4.901 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.482 -4.913 6.414 1.00 0.00 H new ATOM 40 N LYS A 3 1.949 -0.505 6.303 1.00 0.00 N ATOM 41 CA LYS A 3 0.800 0.295 5.922 1.00 0.00 C ATOM 42 C LYS A 3 0.686 0.383 4.411 1.00 0.00 C ATOM 43 O LYS A 3 1.548 0.957 3.754 1.00 0.00 O ATOM 44 CB LYS A 3 0.935 1.696 6.512 1.00 0.00 C ATOM 45 CG LYS A 3 0.336 1.834 7.900 1.00 0.00 C ATOM 46 CD LYS A 3 1.342 1.446 8.974 1.00 0.00 C ATOM 47 CE LYS A 3 1.708 2.631 9.854 1.00 0.00 C ATOM 48 NZ LYS A 3 3.160 2.648 10.187 1.00 0.00 N ATOM 0 H LYS A 3 2.751 -0.415 5.680 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.101 -0.180 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.991 1.963 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.452 2.410 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.010 2.862 8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.549 1.203 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.927 0.649 9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.242 1.050 8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.441 3.557 9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.125 2.594 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.437 3.606 10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.347 1.979 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.711 2.371 9.350 1.00 0.00 H new ATOM 62 N VAL A 4 -0.375 -0.187 3.857 1.00 0.00 N ATOM 63 CA VAL A 4 -0.568 -0.148 2.412 1.00 0.00 C ATOM 64 C VAL A 4 -1.690 0.799 2.011 1.00 0.00 C ATOM 65 O VAL A 4 -2.723 0.883 2.674 1.00 0.00 O ATOM 66 CB VAL A 4 -0.870 -1.541 1.821 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.278 -1.425 0.357 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.332 -2.453 1.951 1.00 0.00 C ATOM 0 H VAL A 4 -1.106 -0.675 4.375 1.00 0.00 H new ATOM 0 HA VAL A 4 0.376 0.214 2.006 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.697 -1.973 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.487 -2.418 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.172 -0.806 0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.468 -0.968 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.096 -3.429 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.177 -2.020 1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.590 -2.567 3.004 1.00 0.00 H new ATOM 78 N TYR A 5 -1.481 1.474 0.890 1.00 0.00 N ATOM 79 CA TYR A 5 -2.466 2.388 0.337 1.00 0.00 C ATOM 80 C TYR A 5 -2.819 1.929 -1.068 1.00 0.00 C ATOM 81 O TYR A 5 -2.021 2.086 -1.991 1.00 0.00 O ATOM 82 CB TYR A 5 -1.928 3.818 0.281 1.00 0.00 C ATOM 83 CG TYR A 5 -1.757 4.486 1.625 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.889 3.970 2.577 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.441 5.657 1.925 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.708 4.603 3.794 1.00 0.00 C ATOM 87 CE2 TYR A 5 -2.271 6.292 3.139 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.402 5.763 4.069 1.00 0.00 C ATOM 89 OH TYR A 5 -1.224 6.397 5.278 1.00 0.00 O ATOM 0 H TYR A 5 -0.625 1.403 0.340 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.347 2.383 0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.965 3.809 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.604 4.421 -0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.347 3.061 2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.118 6.078 1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.027 4.191 4.524 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.816 7.198 3.359 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.785 7.200 5.312 1.00 0.00 H new ATOM 99 N GLY A 6 -3.995 1.346 -1.232 1.00 0.00 N ATOM 100 CA GLY A 6 -4.391 0.868 -2.538 1.00 0.00 C ATOM 101 C GLY A 6 -5.853 0.488 -2.603 1.00 0.00 C ATOM 102 O GLY A 6 -6.717 1.220 -2.120 1.00 0.00 O ATOM 0 H GLY A 6 -4.678 1.196 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.187 1.640 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.783 0.003 -2.803 1.00 0.00 H new ATOM 106 N TYR A 7 -6.129 -0.655 -3.214 1.00 0.00 N ATOM 107 CA TYR A 7 -7.486 -1.135 -3.362 1.00 0.00 C ATOM 108 C TYR A 7 -7.735 -2.364 -2.497 1.00 0.00 C ATOM 109 O TYR A 7 -6.820 -3.140 -2.224 1.00 0.00 O ATOM 110 CB TYR A 7 -7.735 -1.454 -4.826 1.00 0.00 C ATOM 111 CG TYR A 7 -7.445 -0.279 -5.722 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.310 0.803 -5.768 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.296 -0.237 -6.500 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.042 1.891 -6.568 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.020 0.852 -7.302 1.00 0.00 C ATOM 116 CZ TYR A 7 -6.895 1.913 -7.332 1.00 0.00 C ATOM 117 OH TYR A 7 -6.626 3.000 -8.131 1.00 0.00 O ATOM 0 H TYR A 7 -5.421 -1.269 -3.617 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.177 -0.360 -3.030 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.112 -2.298 -5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.772 -1.762 -4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.208 0.792 -5.167 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.608 -1.069 -6.477 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.728 2.724 -6.597 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.122 0.871 -7.902 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.040 3.800 -7.745 1.00 0.00 H new ATOM 127 N ASP A 8 -8.977 -2.532 -2.067 1.00 0.00 N ATOM 128 CA ASP A 8 -9.346 -3.665 -1.231 1.00 0.00 C ATOM 129 C ASP A 8 -9.864 -4.829 -2.074 1.00 0.00 C ATOM 130 O ASP A 8 -10.343 -5.826 -1.533 1.00 0.00 O ATOM 131 CB ASP A 8 -10.405 -3.242 -0.209 1.00 0.00 C ATOM 132 CG ASP A 8 -10.253 -3.964 1.115 1.00 0.00 C ATOM 133 OD1 ASP A 8 -9.107 -4.309 1.475 1.00 0.00 O ATOM 134 OD2 ASP A 8 -11.278 -4.183 1.793 1.00 0.00 O ATOM 0 H ASP A 8 -9.746 -1.898 -2.283 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.453 -4.001 -0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.337 -2.167 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.397 -3.439 -0.615 1.00 0.00 H new ATOM 139 N SER A 9 -9.767 -4.699 -3.402 1.00 0.00 N ATOM 140 CA SER A 9 -10.228 -5.742 -4.323 1.00 0.00 C ATOM 141 C SER A 9 -11.746 -5.715 -4.491 1.00 0.00 C ATOM 142 O SER A 9 -12.292 -6.416 -5.344 1.00 0.00 O ATOM 143 CB SER A 9 -9.790 -7.127 -3.837 1.00 0.00 C ATOM 144 OG SER A 9 -10.777 -7.718 -3.009 1.00 0.00 O ATOM 0 H SER A 9 -9.372 -3.879 -3.863 1.00 0.00 H new ATOM 0 HA SER A 9 -9.772 -5.539 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.598 -7.772 -4.695 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.853 -7.042 -3.286 1.00 0.00 H new ATOM 0 HG SER A 9 -10.777 -7.277 -2.134 1.00 0.00 H new ATOM 150 N ASN A 10 -12.426 -4.914 -3.675 1.00 0.00 N ATOM 151 CA ASN A 10 -13.877 -4.813 -3.738 1.00 0.00 C ATOM 152 C ASN A 10 -14.318 -3.797 -4.793 1.00 0.00 C ATOM 153 O ASN A 10 -15.288 -4.023 -5.513 1.00 0.00 O ATOM 154 CB ASN A 10 -14.433 -4.423 -2.366 1.00 0.00 C ATOM 155 CG ASN A 10 -14.924 -5.621 -1.575 1.00 0.00 C ATOM 156 OD1 ASN A 10 -14.150 -6.519 -1.244 1.00 0.00 O ATOM 157 ND2 ASN A 10 -16.216 -5.641 -1.269 1.00 0.00 N ATOM 0 H ASN A 10 -11.993 -4.326 -2.963 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.273 -5.787 -4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.659 -3.909 -1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.254 -3.718 -2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.603 -6.422 -0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.822 -4.875 -1.564 1.00 0.00 H new ATOM 164 N ILE A 11 -13.602 -2.678 -4.878 1.00 0.00 N ATOM 165 CA ILE A 11 -13.929 -1.629 -5.843 1.00 0.00 C ATOM 166 C ILE A 11 -13.046 -1.711 -7.086 1.00 0.00 C ATOM 167 O ILE A 11 -13.506 -1.476 -8.204 1.00 0.00 O ATOM 168 CB ILE A 11 -13.763 -0.228 -5.229 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.423 -0.154 -3.851 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.342 0.828 -6.155 1.00 0.00 C ATOM 171 CD1 ILE A 11 -13.622 -0.818 -2.752 1.00 0.00 C ATOM 0 H ILE A 11 -12.793 -2.474 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.970 -1.789 -6.123 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.698 -0.035 -5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.581 0.892 -3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.406 -0.622 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.217 1.813 -5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.822 0.797 -7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.403 0.633 -6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.155 -0.724 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.485 -1.873 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.648 -0.336 -2.669 1.00 0.00 H new ATOM 183 N HIS A 12 -11.776 -2.037 -6.882 1.00 0.00 N ATOM 184 CA HIS A 12 -10.831 -2.142 -7.984 1.00 0.00 C ATOM 185 C HIS A 12 -9.908 -3.337 -7.783 1.00 0.00 C ATOM 186 O HIS A 12 -9.659 -3.756 -6.653 1.00 0.00 O ATOM 187 CB HIS A 12 -10.017 -0.852 -8.112 1.00 0.00 C ATOM 188 CG HIS A 12 -9.398 -0.654 -9.459 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.131 -0.314 -9.790 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -10.076 -0.804 -10.647 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.017 -0.262 -11.176 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -9.212 -0.566 -11.646 1.00 0.00 N flip ATOM 0 H HIS A 12 -11.378 -2.233 -5.964 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.391 -2.291 -8.907 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.664 -0.003 -7.893 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.229 -0.855 -7.359 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -7.378 -0.126 -9.128 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.118 -1.067 -10.756 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.133 -0.022 -11.749 1.00 0.00 H new ATOM 200 N LYS A 13 -9.422 -3.895 -8.885 1.00 0.00 N ATOM 201 CA LYS A 13 -8.546 -5.065 -8.836 1.00 0.00 C ATOM 202 C LYS A 13 -7.136 -4.707 -8.371 1.00 0.00 C ATOM 203 O LYS A 13 -6.736 -3.543 -8.393 1.00 0.00 O ATOM 204 CB LYS A 13 -8.485 -5.734 -10.213 1.00 0.00 C ATOM 205 CG LYS A 13 -8.633 -7.250 -10.171 1.00 0.00 C ATOM 206 CD LYS A 13 -7.287 -7.941 -9.996 1.00 0.00 C ATOM 207 CE LYS A 13 -6.923 -8.789 -11.206 1.00 0.00 C ATOM 208 NZ LYS A 13 -7.163 -10.239 -10.965 1.00 0.00 N ATOM 0 H LYS A 13 -9.619 -3.557 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.968 -5.758 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.272 -5.319 -10.843 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.535 -5.485 -10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.295 -7.529 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.103 -7.596 -11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.513 -7.192 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.315 -8.571 -9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.508 -8.463 -12.066 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.874 -8.632 -11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.902 -10.780 -11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.586 -10.557 -10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.169 -10.394 -10.752 1.00 0.00 H new ATOM 222 N CYS A 14 -6.385 -5.727 -7.958 1.00 0.00 N ATOM 223 CA CYS A 14 -5.011 -5.542 -7.493 1.00 0.00 C ATOM 224 C CYS A 14 -4.374 -6.877 -7.113 1.00 0.00 C ATOM 225 O CYS A 14 -4.825 -7.548 -6.186 1.00 0.00 O ATOM 226 CB CYS A 14 -4.967 -4.594 -6.294 1.00 0.00 C ATOM 227 SG CYS A 14 -6.308 -4.835 -5.104 1.00 0.00 S ATOM 0 H CYS A 14 -6.707 -6.695 -7.936 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.444 -5.105 -8.315 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.014 -4.721 -5.780 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.999 -3.567 -6.657 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.194 -3.969 -4.141 1.00 0.00 H new ATOM 233 N VAL A 15 -3.314 -7.250 -7.828 1.00 0.00 N ATOM 234 CA VAL A 15 -2.610 -8.504 -7.560 1.00 0.00 C ATOM 235 C VAL A 15 -1.497 -8.297 -6.536 1.00 0.00 C ATOM 236 O VAL A 15 -1.211 -9.177 -5.724 1.00 0.00 O ATOM 237 CB VAL A 15 -2.002 -9.097 -8.845 1.00 0.00 C ATOM 238 CG1 VAL A 15 -3.095 -9.663 -9.737 1.00 0.00 C ATOM 239 CG2 VAL A 15 -1.188 -8.051 -9.590 1.00 0.00 C ATOM 0 H VAL A 15 -2.924 -6.703 -8.596 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.347 -9.201 -7.162 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.332 -9.909 -8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.649 -10.078 -10.641 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.630 -10.448 -9.203 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.791 -8.869 -10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.768 -8.492 -10.494 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.832 -7.214 -9.860 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.380 -7.696 -8.951 1.00 0.00 H new ATOM 249 N TYR A 16 -0.869 -7.127 -6.587 1.00 0.00 N ATOM 250 CA TYR A 16 0.216 -6.796 -5.669 1.00 0.00 C ATOM 251 C TYR A 16 -0.256 -6.823 -4.220 1.00 0.00 C ATOM 252 O TYR A 16 0.545 -6.993 -3.301 1.00 0.00 O ATOM 253 CB TYR A 16 0.792 -5.419 -6.004 1.00 0.00 C ATOM 254 CG TYR A 16 2.017 -5.460 -6.894 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.341 -6.595 -7.633 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.853 -4.358 -6.993 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.459 -6.623 -8.441 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.971 -4.379 -7.799 1.00 0.00 C ATOM 259 CZ TYR A 16 4.271 -5.512 -8.522 1.00 0.00 C ATOM 260 OH TYR A 16 5.387 -5.536 -9.326 1.00 0.00 O ATOM 0 H TYR A 16 -1.093 -6.390 -7.256 1.00 0.00 H new ATOM 0 HA TYR A 16 0.994 -7.550 -5.787 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.021 -4.824 -6.493 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.048 -4.909 -5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.707 -7.467 -7.573 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.624 -3.467 -6.428 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.697 -7.511 -9.007 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.609 -3.510 -7.863 1.00 0.00 H new ATOM 0 HH TYR A 16 5.849 -4.673 -9.270 1.00 0.00 H new ATOM 270 N CYS A 17 -1.557 -6.653 -4.016 1.00 0.00 N ATOM 271 CA CYS A 17 -2.118 -6.663 -2.673 1.00 0.00 C ATOM 272 C CYS A 17 -2.190 -8.089 -2.137 1.00 0.00 C ATOM 273 O CYS A 17 -1.896 -8.341 -0.969 1.00 0.00 O ATOM 274 CB CYS A 17 -3.510 -6.027 -2.672 1.00 0.00 C ATOM 275 SG CYS A 17 -4.256 -5.889 -1.030 1.00 0.00 S ATOM 0 H CYS A 17 -2.239 -6.507 -4.760 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.467 -6.079 -2.023 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.444 -5.033 -3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.168 -6.617 -3.310 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.354 -4.635 -0.702 1.00 0.00 H new ATOM 281 N ASP A 18 -2.575 -9.019 -3.005 1.00 0.00 N ATOM 282 CA ASP A 18 -2.689 -10.425 -2.630 1.00 0.00 C ATOM 283 C ASP A 18 -1.333 -11.012 -2.242 1.00 0.00 C ATOM 284 O ASP A 18 -1.193 -11.622 -1.183 1.00 0.00 O ATOM 285 CB ASP A 18 -3.287 -11.230 -3.784 1.00 0.00 C ATOM 286 CG ASP A 18 -4.696 -10.788 -4.130 1.00 0.00 C ATOM 287 OD1 ASP A 18 -5.372 -10.218 -3.249 1.00 0.00 O ATOM 288 OD2 ASP A 18 -5.124 -11.015 -5.282 1.00 0.00 O ATOM 0 H ASP A 18 -2.814 -8.824 -3.977 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.347 -10.485 -1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.651 -11.127 -4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.296 -12.287 -3.519 1.00 0.00 H new ATOM 293 N ASN A 19 -0.340 -10.836 -3.112 1.00 0.00 N ATOM 294 CA ASN A 19 0.998 -11.364 -2.854 1.00 0.00 C ATOM 295 C ASN A 19 1.652 -10.654 -1.672 1.00 0.00 C ATOM 296 O ASN A 19 2.173 -11.301 -0.763 1.00 0.00 O ATOM 297 CB ASN A 19 1.886 -11.245 -4.100 1.00 0.00 C ATOM 298 CG ASN A 19 1.714 -9.930 -4.833 1.00 0.00 C ATOM 299 OD1 ASN A 19 1.855 -8.857 -4.248 1.00 0.00 O ATOM 300 ND2 ASN A 19 1.412 -10.013 -6.124 1.00 0.00 N ATOM 0 H ASN A 19 -0.435 -10.335 -3.996 1.00 0.00 H new ATOM 0 HA ASN A 19 0.891 -12.420 -2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.930 -11.356 -3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.658 -12.065 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.287 -9.163 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.305 -10.926 -6.565 1.00 0.00 H new ATOM 307 N ALA A 20 1.620 -9.325 -1.682 1.00 0.00 N ATOM 308 CA ALA A 20 2.207 -8.540 -0.602 1.00 0.00 C ATOM 309 C ALA A 20 1.659 -8.981 0.753 1.00 0.00 C ATOM 310 O ALA A 20 2.407 -9.136 1.717 1.00 0.00 O ATOM 311 CB ALA A 20 1.945 -7.058 -0.823 1.00 0.00 C ATOM 0 H ALA A 20 1.195 -8.770 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 20 3.284 -8.710 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.389 -6.485 -0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.388 -6.747 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.870 -6.878 -0.849 1.00 0.00 H new ATOM 317 N LYS A 21 0.347 -9.192 0.812 1.00 0.00 N ATOM 318 CA LYS A 21 -0.306 -9.621 2.044 1.00 0.00 C ATOM 319 C LYS A 21 0.161 -11.015 2.447 1.00 0.00 C ATOM 320 O LYS A 21 0.698 -11.210 3.538 1.00 0.00 O ATOM 321 CB LYS A 21 -1.827 -9.615 1.867 1.00 0.00 C ATOM 322 CG LYS A 21 -2.590 -9.993 3.126 1.00 0.00 C ATOM 323 CD LYS A 21 -3.915 -10.662 2.797 1.00 0.00 C ATOM 324 CE LYS A 21 -5.030 -9.641 2.639 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.831 -9.495 3.886 1.00 0.00 N ATOM 0 H LYS A 21 -0.285 -9.073 0.020 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.034 -8.921 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.143 -8.622 1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.094 -10.308 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.983 -10.665 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.771 -9.100 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.815 -11.238 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.174 -11.366 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.602 -8.676 2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.684 -9.942 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.581 -8.790 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.260 -10.410 4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.212 -9.183 4.662 1.00 0.00 H new ATOM 339 N ARG A 22 -0.043 -11.983 1.557 1.00 0.00 N ATOM 340 CA ARG A 22 0.361 -13.361 1.819 1.00 0.00 C ATOM 341 C ARG A 22 1.845 -13.427 2.161 1.00 0.00 C ATOM 342 O ARG A 22 2.257 -14.161 3.058 1.00 0.00 O ATOM 343 CB ARG A 22 0.065 -14.245 0.606 1.00 0.00 C ATOM 344 CG ARG A 22 -0.135 -15.711 0.954 1.00 0.00 C ATOM 345 CD ARG A 22 0.215 -16.617 -0.216 1.00 0.00 C ATOM 346 NE ARG A 22 -0.973 -17.075 -0.930 1.00 0.00 N ATOM 347 CZ ARG A 22 -1.858 -17.932 -0.426 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.691 -18.427 0.795 1.00 0.00 N ATOM 349 NH2 ARG A 22 -2.912 -18.296 -1.143 1.00 0.00 N ATOM 0 H ARG A 22 -0.485 -11.839 0.649 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.212 -13.729 2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.830 -13.874 0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.886 -14.158 -0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.484 -15.969 1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.172 -15.878 1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.868 -16.082 -0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.774 -17.479 0.148 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.135 -16.717 -1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.882 -18.151 1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.372 -19.083 1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.045 -17.919 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.590 -18.953 -0.756 1.00 0.00 H new ATOM 363 N LEU A 23 2.639 -12.638 1.444 1.00 0.00 N ATOM 364 CA LEU A 23 4.077 -12.584 1.669 1.00 0.00 C ATOM 365 C LEU A 23 4.375 -12.185 3.110 1.00 0.00 C ATOM 366 O LEU A 23 5.096 -12.882 3.824 1.00 0.00 O ATOM 367 CB LEU A 23 4.717 -11.589 0.693 1.00 0.00 C ATOM 368 CG LEU A 23 6.092 -11.049 1.097 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.875 -10.615 -0.131 1.00 0.00 C ATOM 370 CD2 LEU A 23 5.942 -9.888 2.070 1.00 0.00 C ATOM 0 H LEU A 23 2.308 -12.025 0.699 1.00 0.00 H new ATOM 0 HA LEU A 23 4.501 -13.573 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.809 -12.072 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.039 -10.745 0.567 1.00 0.00 H new ATOM 0 HG LEU A 23 6.644 -11.847 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.849 -10.234 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.011 -11.468 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.327 -9.831 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.928 -9.516 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.372 -9.088 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.418 -10.227 2.963 1.00 0.00 H new ATOM 382 N LEU A 24 3.806 -11.061 3.532 1.00 0.00 N ATOM 383 CA LEU A 24 4.004 -10.566 4.889 1.00 0.00 C ATOM 384 C LEU A 24 3.594 -11.621 5.908 1.00 0.00 C ATOM 385 O LEU A 24 4.286 -11.841 6.902 1.00 0.00 O ATOM 386 CB LEU A 24 3.203 -9.282 5.106 1.00 0.00 C ATOM 387 CG LEU A 24 3.792 -8.041 4.438 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.687 -7.108 3.973 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.731 -7.320 5.390 1.00 0.00 C ATOM 0 H LEU A 24 3.204 -10.475 2.953 1.00 0.00 H new ATOM 0 HA LEU A 24 5.063 -10.347 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.191 -9.434 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.122 -9.097 6.177 1.00 0.00 H new ATOM 0 HG LEU A 24 4.362 -8.359 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.127 -6.230 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.051 -7.626 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.089 -6.797 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.142 -6.438 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.182 -7.016 6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.544 -7.988 5.675 1.00 0.00 H new ATOM 401 N THR A 25 2.470 -12.282 5.646 1.00 0.00 N ATOM 402 CA THR A 25 1.978 -13.327 6.534 1.00 0.00 C ATOM 403 C THR A 25 3.011 -14.444 6.642 1.00 0.00 C ATOM 404 O THR A 25 3.204 -15.029 7.708 1.00 0.00 O ATOM 405 CB THR A 25 0.652 -13.884 6.015 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.146 -12.849 5.466 1.00 0.00 O ATOM 407 CG2 THR A 25 -0.166 -14.576 7.084 1.00 0.00 C ATOM 0 H THR A 25 1.885 -12.112 4.828 1.00 0.00 H new ATOM 0 HA THR A 25 1.812 -12.900 7.523 1.00 0.00 H new ATOM 0 HB THR A 25 0.924 -14.618 5.257 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.163 -12.643 4.559 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.094 -14.948 6.649 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.403 -15.411 7.494 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.397 -13.869 7.880 1.00 0.00 H new ATOM 415 N VAL A 26 3.682 -14.716 5.527 1.00 0.00 N ATOM 416 CA VAL A 26 4.710 -15.747 5.476 1.00 0.00 C ATOM 417 C VAL A 26 6.021 -15.226 6.058 1.00 0.00 C ATOM 418 O VAL A 26 6.803 -15.982 6.634 1.00 0.00 O ATOM 419 CB VAL A 26 4.951 -16.221 4.029 1.00 0.00 C ATOM 420 CG1 VAL A 26 5.936 -17.379 3.995 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.637 -16.613 3.370 1.00 0.00 C ATOM 0 H VAL A 26 3.530 -14.233 4.642 1.00 0.00 H new ATOM 0 HA VAL A 26 4.358 -16.590 6.070 1.00 0.00 H new ATOM 0 HB VAL A 26 5.384 -15.393 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.090 -17.696 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.887 -17.061 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.538 -18.212 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.827 -16.945 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.174 -17.422 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.968 -15.753 3.353 1.00 0.00 H new ATOM 431 N LYS A 27 6.249 -13.925 5.904 1.00 0.00 N ATOM 432 CA LYS A 27 7.456 -13.288 6.418 1.00 0.00 C ATOM 433 C LYS A 27 7.379 -13.110 7.936 1.00 0.00 C ATOM 434 O LYS A 27 8.366 -12.748 8.575 1.00 0.00 O ATOM 435 CB LYS A 27 7.666 -11.928 5.741 1.00 0.00 C ATOM 436 CG LYS A 27 8.856 -11.888 4.792 1.00 0.00 C ATOM 437 CD LYS A 27 8.425 -12.079 3.346 1.00 0.00 C ATOM 438 CE LYS A 27 9.295 -13.104 2.636 1.00 0.00 C ATOM 439 NZ LYS A 27 8.543 -13.842 1.584 1.00 0.00 N ATOM 0 H LYS A 27 5.611 -13.290 5.425 1.00 0.00 H new ATOM 0 HA LYS A 27 8.303 -13.935 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.764 -11.665 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.801 -11.167 6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.373 -10.934 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.567 -12.667 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.384 -12.400 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.481 -11.126 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.151 -12.602 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.688 -13.813 3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.169 -14.542 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.731 -14.328 2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.204 -13.172 0.865 1.00 0.00 H new ATOM 453 N LYS A 28 6.197 -13.358 8.505 1.00 0.00 N ATOM 454 CA LYS A 28 5.987 -13.218 9.943 1.00 0.00 C ATOM 455 C LYS A 28 6.073 -11.754 10.359 1.00 0.00 C ATOM 456 O LYS A 28 6.923 -11.369 11.163 1.00 0.00 O ATOM 457 CB LYS A 28 7.007 -14.055 10.724 1.00 0.00 C ATOM 458 CG LYS A 28 6.456 -15.387 11.204 1.00 0.00 C ATOM 459 CD LYS A 28 7.546 -16.253 11.816 1.00 0.00 C ATOM 460 CE LYS A 28 8.052 -17.291 10.828 1.00 0.00 C ATOM 461 NZ LYS A 28 7.396 -18.613 11.024 1.00 0.00 N ATOM 0 H LYS A 28 5.370 -13.657 7.988 1.00 0.00 H new ATOM 0 HA LYS A 28 4.988 -13.586 10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.876 -14.237 10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.353 -13.482 11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.671 -15.213 11.940 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.997 -15.915 10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.374 -15.623 12.140 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.160 -16.753 12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.870 -16.943 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.131 -17.401 10.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.769 -19.292 10.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.591 -18.958 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.369 -18.514 10.893 1.00 0.00 H new ATOM 475 N GLN A 29 5.182 -10.939 9.804 1.00 0.00 N ATOM 476 CA GLN A 29 5.154 -9.515 10.110 1.00 0.00 C ATOM 477 C GLN A 29 3.724 -8.978 10.084 1.00 0.00 C ATOM 478 O GLN A 29 2.976 -9.234 9.140 1.00 0.00 O ATOM 479 CB GLN A 29 6.009 -8.744 9.100 1.00 0.00 C ATOM 480 CG GLN A 29 7.480 -8.673 9.474 1.00 0.00 C ATOM 481 CD GLN A 29 7.747 -7.718 10.620 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.176 -7.855 11.701 1.00 0.00 O ATOM 483 NE2 GLN A 29 8.618 -6.743 10.389 1.00 0.00 N ATOM 0 H GLN A 29 4.470 -11.241 9.140 1.00 0.00 H new ATOM 0 HA GLN A 29 5.559 -9.376 11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.914 -9.216 8.122 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.618 -7.731 9.005 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.830 -9.669 9.747 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.057 -8.360 8.604 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.068 -6.667 9.477 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.837 -6.070 11.124 1.00 0.00 H new ATOM 492 N PRO A 30 3.324 -8.208 11.113 1.00 0.00 N ATOM 493 CA PRO A 30 1.983 -7.626 11.183 1.00 0.00 C ATOM 494 C PRO A 30 1.870 -6.400 10.290 1.00 0.00 C ATOM 495 O PRO A 30 2.847 -5.678 10.104 1.00 0.00 O ATOM 496 CB PRO A 30 1.864 -7.225 12.649 1.00 0.00 C ATOM 497 CG PRO A 30 3.256 -6.868 13.034 1.00 0.00 C ATOM 498 CD PRO A 30 4.145 -7.826 12.281 1.00 0.00 C ATOM 0 HA PRO A 30 1.204 -8.311 10.850 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.185 -6.383 12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.478 -8.043 13.257 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.482 -5.835 12.771 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.401 -6.962 14.110 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.079 -7.354 11.978 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.408 -8.692 12.888 1.00 0.00 H new ATOM 506 N PHE A 31 0.690 -6.162 9.733 1.00 0.00 N ATOM 507 CA PHE A 31 0.505 -5.013 8.859 1.00 0.00 C ATOM 508 C PHE A 31 -0.956 -4.583 8.763 1.00 0.00 C ATOM 509 O PHE A 31 -1.854 -5.283 9.231 1.00 0.00 O ATOM 510 CB PHE A 31 1.030 -5.321 7.480 1.00 0.00 C ATOM 511 CG PHE A 31 0.315 -6.466 6.847 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.525 -7.747 7.311 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.580 -6.262 5.815 1.00 0.00 C ATOM 514 CE1 PHE A 31 -0.142 -8.815 6.756 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.255 -7.325 5.253 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.036 -8.607 5.724 1.00 0.00 C ATOM 0 H PHE A 31 -0.140 -6.739 9.868 1.00 0.00 H new ATOM 0 HA PHE A 31 1.065 -4.186 9.297 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.928 -4.438 6.849 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.094 -5.549 7.541 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.221 -7.914 8.120 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.753 -5.262 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.033 -9.814 7.127 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.953 -7.157 4.447 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.562 -9.442 5.286 1.00 0.00 H new ATOM 526 N GLU A 32 -1.183 -3.428 8.135 1.00 0.00 N ATOM 527 CA GLU A 32 -2.535 -2.904 7.962 1.00 0.00 C ATOM 528 C GLU A 32 -2.703 -2.271 6.586 1.00 0.00 C ATOM 529 O GLU A 32 -1.843 -1.522 6.124 1.00 0.00 O ATOM 530 CB GLU A 32 -2.858 -1.875 9.046 1.00 0.00 C ATOM 531 CG GLU A 32 -4.293 -1.373 8.997 1.00 0.00 C ATOM 532 CD GLU A 32 -5.180 -2.044 10.027 1.00 0.00 C ATOM 533 OE1 GLU A 32 -5.002 -1.772 11.232 1.00 0.00 O ATOM 534 OE2 GLU A 32 -6.054 -2.843 9.627 1.00 0.00 O ATOM 0 H GLU A 32 -0.449 -2.840 7.739 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.228 -3.741 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.669 -2.318 10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.181 -1.027 8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.303 -0.295 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.702 -1.548 8.002 1.00 0.00 H new ATOM 541 N PHE A 33 -3.817 -2.583 5.934 1.00 0.00 N ATOM 542 CA PHE A 33 -4.110 -2.056 4.615 1.00 0.00 C ATOM 543 C PHE A 33 -4.868 -0.735 4.704 1.00 0.00 C ATOM 544 O PHE A 33 -5.412 -0.388 5.753 1.00 0.00 O ATOM 545 CB PHE A 33 -4.936 -3.074 3.835 1.00 0.00 C ATOM 546 CG PHE A 33 -4.951 -2.824 2.363 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.846 -3.127 1.596 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.067 -2.286 1.752 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.849 -2.898 0.233 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.080 -2.051 0.390 1.00 0.00 C ATOM 551 CZ PHE A 33 -4.967 -2.358 -0.371 1.00 0.00 C ATOM 0 H PHE A 33 -4.536 -3.205 6.305 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.167 -1.870 4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.540 -4.072 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.960 -3.062 4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.969 -3.548 2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.938 -2.047 2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.979 -3.141 -0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.957 -1.629 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.972 -2.176 -1.436 1.00 0.00 H new ATOM 561 N ILE A 34 -4.903 -0.009 3.592 1.00 0.00 N ATOM 562 CA ILE A 34 -5.599 1.270 3.526 1.00 0.00 C ATOM 563 C ILE A 34 -6.176 1.488 2.137 1.00 0.00 C ATOM 564 O ILE A 34 -5.451 1.518 1.143 1.00 0.00 O ATOM 565 CB ILE A 34 -4.684 2.452 3.886 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.818 2.098 5.094 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.513 3.696 4.168 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.741 3.116 5.390 1.00 0.00 C ATOM 0 H ILE A 34 -4.454 -0.287 2.719 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.402 1.230 4.262 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.030 2.661 3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.458 1.994 5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.351 1.128 4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.851 4.524 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.095 3.954 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.188 3.502 5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.168 2.797 6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.077 3.204 4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.201 4.083 5.593 1.00 0.00 H new ATOM 580 N ASN A 35 -7.488 1.625 2.086 1.00 0.00 N ATOM 581 CA ASN A 35 -8.190 1.826 0.826 1.00 0.00 C ATOM 582 C ASN A 35 -8.441 3.305 0.563 1.00 0.00 C ATOM 583 O ASN A 35 -8.897 4.037 1.441 1.00 0.00 O ATOM 584 CB ASN A 35 -9.516 1.062 0.828 1.00 0.00 C ATOM 585 CG ASN A 35 -10.455 1.530 1.924 1.00 0.00 C ATOM 586 OD1 ASN A 35 -11.051 2.603 1.829 1.00 0.00 O ATOM 587 ND2 ASN A 35 -10.595 0.724 2.969 1.00 0.00 N ATOM 0 H ASN A 35 -8.094 1.601 2.906 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.557 1.441 0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.003 1.184 -0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.318 -0.002 0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.216 0.985 3.735 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.081 -0.156 3.006 1.00 0.00 H new ATOM 594 N ILE A 36 -8.143 3.732 -0.658 1.00 0.00 N ATOM 595 CA ILE A 36 -8.338 5.121 -1.052 1.00 0.00 C ATOM 596 C ILE A 36 -9.625 5.292 -1.856 1.00 0.00 C ATOM 597 O ILE A 36 -10.094 6.410 -2.060 1.00 0.00 O ATOM 598 CB ILE A 36 -7.145 5.649 -1.875 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.782 4.681 -3.007 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.946 5.869 -0.967 1.00 0.00 C ATOM 601 CD1 ILE A 36 -7.876 4.498 -4.037 1.00 0.00 C ATOM 0 H ILE A 36 -7.765 3.135 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.413 5.702 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.434 6.599 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.884 5.044 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.537 3.710 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.108 6.242 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.201 6.597 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.668 4.926 -0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.541 3.799 -4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.770 4.105 -3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.106 5.459 -4.498 1.00 0.00 H new ATOM 613 N MET A 37 -10.190 4.179 -2.311 1.00 0.00 N ATOM 614 CA MET A 37 -11.420 4.209 -3.090 1.00 0.00 C ATOM 615 C MET A 37 -12.501 3.361 -2.416 1.00 0.00 C ATOM 616 O MET A 37 -12.791 2.246 -2.850 1.00 0.00 O ATOM 617 CB MET A 37 -11.152 3.720 -4.526 1.00 0.00 C ATOM 618 CG MET A 37 -12.404 3.315 -5.300 1.00 0.00 C ATOM 619 SD MET A 37 -12.542 4.121 -6.911 1.00 0.00 S ATOM 620 CE MET A 37 -11.012 3.615 -7.695 1.00 0.00 C ATOM 0 H MET A 37 -9.814 3.244 -2.153 1.00 0.00 H new ATOM 0 HA MET A 37 -11.780 5.237 -3.140 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.640 4.510 -5.076 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.473 2.868 -4.486 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.401 2.234 -5.442 1.00 0.00 H new ATOM 0 HG3 MET A 37 -13.284 3.556 -4.704 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.681 4.393 -8.383 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.248 3.455 -6.934 1.00 0.00 H new ATOM 0 HE3 MET A 37 -11.174 2.688 -8.246 1.00 0.00 H new ATOM 630 N PRO A 38 -13.101 3.879 -1.328 1.00 0.00 N ATOM 631 CA PRO A 38 -14.140 3.176 -0.580 1.00 0.00 C ATOM 632 C PRO A 38 -15.544 3.438 -1.122 1.00 0.00 C ATOM 633 O PRO A 38 -16.501 3.547 -0.355 1.00 0.00 O ATOM 634 CB PRO A 38 -13.994 3.770 0.814 1.00 0.00 C ATOM 635 CG PRO A 38 -13.572 5.181 0.575 1.00 0.00 C ATOM 636 CD PRO A 38 -12.801 5.192 -0.726 1.00 0.00 C ATOM 0 HA PRO A 38 -14.024 2.093 -0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.933 3.724 1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.253 3.228 1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.439 5.839 0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.952 5.543 1.395 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.120 6.010 -1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.732 5.318 -0.556 1.00 0.00 H new ATOM 644 N GLU A 39 -15.664 3.534 -2.440 1.00 0.00 N ATOM 645 CA GLU A 39 -16.953 3.779 -3.073 1.00 0.00 C ATOM 646 C GLU A 39 -17.102 2.927 -4.325 1.00 0.00 C ATOM 647 O GLU A 39 -16.146 2.298 -4.770 1.00 0.00 O ATOM 648 CB GLU A 39 -17.102 5.261 -3.430 1.00 0.00 C ATOM 649 CG GLU A 39 -17.220 6.170 -2.219 1.00 0.00 C ATOM 650 CD GLU A 39 -17.849 7.509 -2.554 1.00 0.00 C ATOM 651 OE1 GLU A 39 -18.584 7.584 -3.562 1.00 0.00 O ATOM 652 OE2 GLU A 39 -17.608 8.481 -1.807 1.00 0.00 O ATOM 0 H GLU A 39 -14.884 3.446 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.737 3.507 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.242 5.571 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.985 5.388 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.817 5.674 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.230 6.334 -1.795 1.00 0.00 H new ATOM 659 N LYS A 40 -18.302 2.910 -4.893 1.00 0.00 N ATOM 660 CA LYS A 40 -18.560 2.123 -6.097 1.00 0.00 C ATOM 661 C LYS A 40 -17.703 2.576 -7.270 1.00 0.00 C ATOM 662 O LYS A 40 -17.674 1.939 -8.322 1.00 0.00 O ATOM 663 CB LYS A 40 -20.043 2.168 -6.469 1.00 0.00 C ATOM 664 CG LYS A 40 -20.492 0.986 -7.310 1.00 0.00 C ATOM 665 CD LYS A 40 -20.786 -0.232 -6.448 1.00 0.00 C ATOM 666 CE LYS A 40 -21.516 -1.309 -7.236 1.00 0.00 C ATOM 667 NZ LYS A 40 -22.359 -2.166 -6.356 1.00 0.00 N ATOM 0 H LYS A 40 -19.108 3.428 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.286 1.092 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -20.638 2.201 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -20.245 3.090 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -21.384 1.258 -7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.718 0.740 -8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.852 -0.636 -6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -21.389 0.065 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -22.143 -0.841 -7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.790 -1.930 -7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.840 -2.887 -6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.758 -2.633 -5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -23.069 -1.577 -5.875 1.00 0.00 H new ATOM 681 N GLY A 41 -17.010 3.675 -7.074 1.00 0.00 N ATOM 682 CA GLY A 41 -16.146 4.215 -8.106 1.00 0.00 C ATOM 683 C GLY A 41 -15.781 5.666 -7.865 1.00 0.00 C ATOM 684 O GLY A 41 -16.002 6.517 -8.724 1.00 0.00 O ATOM 0 H GLY A 41 -17.026 4.215 -6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.235 3.620 -8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -16.642 4.125 -9.073 1.00 0.00 H new ATOM 688 N VAL A 42 -15.219 5.952 -6.691 1.00 0.00 N ATOM 689 CA VAL A 42 -14.826 7.316 -6.355 1.00 0.00 C ATOM 690 C VAL A 42 -13.635 7.345 -5.407 1.00 0.00 C ATOM 691 O VAL A 42 -13.702 6.848 -4.282 1.00 0.00 O ATOM 692 CB VAL A 42 -15.979 8.101 -5.710 1.00 0.00 C ATOM 693 CG1 VAL A 42 -15.663 9.589 -5.677 1.00 0.00 C ATOM 694 CG2 VAL A 42 -17.284 7.842 -6.445 1.00 0.00 C ATOM 0 H VAL A 42 -15.028 5.263 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.550 7.787 -7.299 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.095 7.755 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.492 10.127 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.755 9.755 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.515 9.952 -6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.087 8.408 -5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.184 8.154 -7.485 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.518 6.778 -6.407 1.00 0.00 H new ATOM 704 N PHE A 43 -12.553 7.947 -5.871 1.00 0.00 N ATOM 705 CA PHE A 43 -11.337 8.079 -5.076 1.00 0.00 C ATOM 706 C PHE A 43 -11.592 8.967 -3.857 1.00 0.00 C ATOM 707 O PHE A 43 -12.246 10.004 -3.962 1.00 0.00 O ATOM 708 CB PHE A 43 -10.212 8.677 -5.929 1.00 0.00 C ATOM 709 CG PHE A 43 -9.106 7.711 -6.250 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.380 6.492 -6.847 1.00 0.00 C ATOM 711 CD2 PHE A 43 -7.789 8.029 -5.961 1.00 0.00 C ATOM 712 CE1 PHE A 43 -8.362 5.607 -7.146 1.00 0.00 C ATOM 713 CE2 PHE A 43 -6.768 7.150 -6.258 1.00 0.00 C ATOM 714 CZ PHE A 43 -7.054 5.937 -6.852 1.00 0.00 C ATOM 0 H PHE A 43 -12.489 8.357 -6.803 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.037 7.089 -4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.636 9.050 -6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.790 9.535 -5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.401 6.230 -7.082 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.559 8.977 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.589 4.658 -7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.746 7.411 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.256 5.248 -7.086 1.00 0.00 H new ATOM 724 N ASP A 44 -11.070 8.556 -2.705 1.00 0.00 N ATOM 725 CA ASP A 44 -11.242 9.312 -1.466 1.00 0.00 C ATOM 726 C ASP A 44 -10.053 10.237 -1.217 1.00 0.00 C ATOM 727 O ASP A 44 -8.975 9.785 -0.836 1.00 0.00 O ATOM 728 CB ASP A 44 -11.405 8.352 -0.285 1.00 0.00 C ATOM 729 CG ASP A 44 -12.331 8.899 0.783 1.00 0.00 C ATOM 730 OD1 ASP A 44 -13.517 9.140 0.475 1.00 0.00 O ATOM 731 OD2 ASP A 44 -11.869 9.085 1.929 1.00 0.00 O ATOM 0 H ASP A 44 -10.523 7.701 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.139 9.924 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.794 7.400 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.428 8.151 0.154 1.00 0.00 H new ATOM 736 N ASP A 45 -10.257 11.532 -1.434 1.00 0.00 N ATOM 737 CA ASP A 45 -9.200 12.520 -1.239 1.00 0.00 C ATOM 738 C ASP A 45 -8.644 12.478 0.184 1.00 0.00 C ATOM 739 O ASP A 45 -7.528 12.935 0.434 1.00 0.00 O ATOM 740 CB ASP A 45 -9.724 13.923 -1.546 1.00 0.00 C ATOM 741 CG ASP A 45 -8.606 14.904 -1.840 1.00 0.00 C ATOM 742 OD1 ASP A 45 -7.680 14.539 -2.595 1.00 0.00 O ATOM 743 OD2 ASP A 45 -8.656 16.037 -1.317 1.00 0.00 O ATOM 0 H ASP A 45 -11.146 11.923 -1.746 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.390 12.274 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.398 13.877 -2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.307 14.284 -0.699 1.00 0.00 H new ATOM 748 N GLU A 46 -9.425 11.938 1.115 1.00 0.00 N ATOM 749 CA GLU A 46 -8.999 11.849 2.507 1.00 0.00 C ATOM 750 C GLU A 46 -7.710 11.043 2.635 1.00 0.00 C ATOM 751 O GLU A 46 -6.743 11.498 3.245 1.00 0.00 O ATOM 752 CB GLU A 46 -10.101 11.221 3.359 1.00 0.00 C ATOM 753 CG GLU A 46 -11.467 11.842 3.126 1.00 0.00 C ATOM 754 CD GLU A 46 -12.253 12.024 4.409 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.651 12.442 5.421 1.00 0.00 O ATOM 756 OE2 GLU A 46 -13.471 11.750 4.403 1.00 0.00 O ATOM 0 H GLU A 46 -10.353 11.557 0.931 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.805 12.859 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.153 10.154 3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.839 11.322 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.344 12.810 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.036 11.212 2.442 1.00 0.00 H new ATOM 763 N LYS A 47 -7.701 9.852 2.049 1.00 0.00 N ATOM 764 CA LYS A 47 -6.523 8.994 2.096 1.00 0.00 C ATOM 765 C LYS A 47 -5.431 9.542 1.187 1.00 0.00 C ATOM 766 O LYS A 47 -4.253 9.547 1.547 1.00 0.00 O ATOM 767 CB LYS A 47 -6.877 7.565 1.684 1.00 0.00 C ATOM 768 CG LYS A 47 -7.450 6.728 2.816 1.00 0.00 C ATOM 769 CD LYS A 47 -8.796 7.262 3.281 1.00 0.00 C ATOM 770 CE LYS A 47 -9.278 6.545 4.531 1.00 0.00 C ATOM 771 NZ LYS A 47 -9.052 7.357 5.758 1.00 0.00 N ATOM 0 H LYS A 47 -8.492 9.460 1.538 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.155 8.979 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.599 7.600 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.983 7.075 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.562 5.695 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.752 6.720 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.715 8.330 3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.531 7.142 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.340 6.321 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.759 5.591 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.394 6.833 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.036 7.550 5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.568 8.256 5.679 1.00 0.00 H new ATOM 785 N ILE A 48 -5.829 10.014 0.010 1.00 0.00 N ATOM 786 CA ILE A 48 -4.881 10.573 -0.946 1.00 0.00 C ATOM 787 C ILE A 48 -4.152 11.766 -0.334 1.00 0.00 C ATOM 788 O ILE A 48 -2.946 11.930 -0.519 1.00 0.00 O ATOM 789 CB ILE A 48 -5.583 11.001 -2.257 1.00 0.00 C ATOM 790 CG1 ILE A 48 -5.908 9.771 -3.108 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.719 11.975 -3.050 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.240 9.137 -2.777 1.00 0.00 C ATOM 0 H ILE A 48 -6.799 10.020 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.158 9.794 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.511 11.508 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.903 10.056 -4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.120 9.030 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.237 12.259 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.530 12.865 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.771 11.499 -3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.401 8.272 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -7.243 8.819 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -8.038 9.862 -2.938 1.00 0.00 H new ATOM 804 N ALA A 49 -4.890 12.588 0.405 1.00 0.00 N ATOM 805 CA ALA A 49 -4.309 13.757 1.053 1.00 0.00 C ATOM 806 C ALA A 49 -3.314 13.326 2.124 1.00 0.00 C ATOM 807 O ALA A 49 -2.187 13.817 2.176 1.00 0.00 O ATOM 808 CB ALA A 49 -5.400 14.626 1.658 1.00 0.00 C ATOM 0 H ALA A 49 -5.889 12.466 0.569 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.779 14.344 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.949 15.495 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.079 14.957 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.955 14.050 2.398 1.00 0.00 H new ATOM 814 N GLU A 50 -3.741 12.392 2.969 1.00 0.00 N ATOM 815 CA GLU A 50 -2.889 11.880 4.035 1.00 0.00 C ATOM 816 C GLU A 50 -1.683 11.153 3.450 1.00 0.00 C ATOM 817 O GLU A 50 -0.570 11.266 3.960 1.00 0.00 O ATOM 818 CB GLU A 50 -3.687 10.934 4.940 1.00 0.00 C ATOM 819 CG GLU A 50 -2.826 10.151 5.921 1.00 0.00 C ATOM 820 CD GLU A 50 -3.310 10.275 7.353 1.00 0.00 C ATOM 821 OE1 GLU A 50 -3.084 11.339 7.967 1.00 0.00 O ATOM 822 OE2 GLU A 50 -3.916 9.309 7.861 1.00 0.00 O ATOM 0 H GLU A 50 -4.671 11.975 2.935 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.533 12.721 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.422 11.514 5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.242 10.232 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.820 9.100 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.797 10.505 5.858 1.00 0.00 H new ATOM 829 N LEU A 51 -1.914 10.408 2.372 1.00 0.00 N ATOM 830 CA LEU A 51 -0.846 9.666 1.716 1.00 0.00 C ATOM 831 C LEU A 51 0.267 10.606 1.275 1.00 0.00 C ATOM 832 O LEU A 51 1.439 10.378 1.573 1.00 0.00 O ATOM 833 CB LEU A 51 -1.394 8.902 0.511 1.00 0.00 C ATOM 834 CG LEU A 51 -0.351 8.120 -0.287 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.463 7.221 0.630 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.026 7.304 -1.377 1.00 0.00 C ATOM 0 H LEU A 51 -2.830 10.303 1.936 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.436 8.952 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.160 8.208 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.884 9.610 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 51 0.330 8.830 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.200 6.673 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.974 7.829 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.200 6.515 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.272 6.752 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.728 6.603 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.563 7.971 -2.051 1.00 0.00 H new ATOM 848 N LEU A 52 -0.106 11.673 0.572 1.00 0.00 N ATOM 849 CA LEU A 52 0.854 12.655 0.100 1.00 0.00 C ATOM 850 C LEU A 52 1.749 13.135 1.233 1.00 0.00 C ATOM 851 O LEU A 52 2.968 13.222 1.088 1.00 0.00 O ATOM 852 CB LEU A 52 0.117 13.810 -0.514 1.00 0.00 C ATOM 853 CG LEU A 52 -0.526 13.453 -1.837 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.332 14.610 -2.322 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.531 13.056 -2.855 1.00 0.00 C ATOM 0 H LEU A 52 -1.073 11.876 0.318 1.00 0.00 H new ATOM 0 HA LEU A 52 1.494 12.191 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.651 14.155 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.808 14.640 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.187 12.597 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.796 14.356 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.107 14.845 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.683 15.476 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.050 12.803 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.218 13.888 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.084 12.192 -2.487 1.00 0.00 H new ATOM 867 N THR A 53 1.128 13.427 2.369 1.00 0.00 N ATOM 868 CA THR A 53 1.857 13.881 3.545 1.00 0.00 C ATOM 869 C THR A 53 2.748 12.763 4.074 1.00 0.00 C ATOM 870 O THR A 53 3.818 13.015 4.629 1.00 0.00 O ATOM 871 CB THR A 53 0.883 14.337 4.633 1.00 0.00 C ATOM 872 OG1 THR A 53 0.049 15.378 4.155 1.00 0.00 O ATOM 873 CG2 THR A 53 1.573 14.840 5.883 1.00 0.00 C ATOM 0 H THR A 53 0.119 13.357 2.500 1.00 0.00 H new ATOM 0 HA THR A 53 2.483 14.727 3.261 1.00 0.00 H new ATOM 0 HB THR A 53 0.302 13.451 4.890 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.568 15.655 4.864 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.824 15.147 6.613 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.187 14.044 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.206 15.691 5.632 1.00 0.00 H new ATOM 881 N LYS A 54 2.300 11.525 3.888 1.00 0.00 N ATOM 882 CA LYS A 54 3.057 10.362 4.333 1.00 0.00 C ATOM 883 C LYS A 54 4.324 10.203 3.497 1.00 0.00 C ATOM 884 O LYS A 54 5.351 9.734 3.988 1.00 0.00 O ATOM 885 CB LYS A 54 2.192 9.098 4.246 1.00 0.00 C ATOM 886 CG LYS A 54 1.679 8.619 5.594 1.00 0.00 C ATOM 887 CD LYS A 54 2.758 7.880 6.372 1.00 0.00 C ATOM 888 CE LYS A 54 2.515 6.379 6.373 1.00 0.00 C ATOM 889 NZ LYS A 54 1.431 5.992 7.315 1.00 0.00 N ATOM 0 H LYS A 54 1.415 11.302 3.432 1.00 0.00 H new ATOM 0 HA LYS A 54 3.346 10.511 5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.342 9.293 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.774 8.301 3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.330 9.472 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.822 7.962 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.733 8.091 5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.783 8.246 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.254 6.053 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.435 5.863 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.575 5.010 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.449 6.622 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.511 6.073 6.838 1.00 0.00 H new ATOM 903 N LEU A 55 4.242 10.608 2.233 1.00 0.00 N ATOM 904 CA LEU A 55 5.379 10.526 1.321 1.00 0.00 C ATOM 905 C LEU A 55 6.463 11.522 1.714 1.00 0.00 C ATOM 906 O LEU A 55 7.536 11.140 2.183 1.00 0.00 O ATOM 907 CB LEU A 55 4.927 10.805 -0.113 1.00 0.00 C ATOM 908 CG LEU A 55 3.983 9.765 -0.728 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.314 9.566 -2.194 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.062 8.436 0.011 1.00 0.00 C ATOM 0 H LEU A 55 3.397 10.998 1.816 1.00 0.00 H new ATOM 0 HA LEU A 55 5.789 9.518 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.432 11.776 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.812 10.883 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 55 2.964 10.140 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.638 8.826 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.200 10.511 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.342 9.218 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.380 7.722 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.080 8.051 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.782 8.583 1.054 1.00 0.00 H new ATOM 922 N GLY A 56 6.173 12.803 1.514 1.00 0.00 N ATOM 923 CA GLY A 56 7.126 13.847 1.841 1.00 0.00 C ATOM 924 C GLY A 56 6.961 15.068 0.960 1.00 0.00 C ATOM 925 O GLY A 56 7.234 16.191 1.384 1.00 0.00 O ATOM 0 H GLY A 56 5.290 13.138 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.003 14.135 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.139 13.458 1.735 1.00 0.00 H new ATOM 929 N ARG A 57 6.508 14.845 -0.271 1.00 0.00 N ATOM 930 CA ARG A 57 6.302 15.932 -1.224 1.00 0.00 C ATOM 931 C ARG A 57 4.815 16.232 -1.392 1.00 0.00 C ATOM 932 O ARG A 57 3.976 15.659 -0.697 1.00 0.00 O ATOM 933 CB ARG A 57 6.918 15.569 -2.577 1.00 0.00 C ATOM 934 CG ARG A 57 8.372 15.987 -2.714 1.00 0.00 C ATOM 935 CD ARG A 57 8.725 16.313 -4.156 1.00 0.00 C ATOM 936 NE ARG A 57 10.168 16.441 -4.351 1.00 0.00 N ATOM 937 CZ ARG A 57 10.724 17.033 -5.404 1.00 0.00 C ATOM 938 NH1 ARG A 57 9.964 17.552 -6.361 1.00 0.00 N ATOM 939 NH2 ARG A 57 12.045 17.106 -5.503 1.00 0.00 N ATOM 0 H ARG A 57 6.276 13.920 -0.632 1.00 0.00 H new ATOM 0 HA ARG A 57 6.792 16.825 -0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.843 14.492 -2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.337 16.040 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.562 16.858 -2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.017 15.186 -2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.339 15.531 -4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.236 17.242 -4.448 1.00 0.00 H new ATOM 0 HE ARG A 57 10.785 16.053 -3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.948 17.498 -6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.396 18.005 -7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.634 16.708 -4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.472 17.560 -6.311 1.00 0.00 H new ATOM 953 N ASP A 58 4.497 17.135 -2.314 1.00 0.00 N ATOM 954 CA ASP A 58 3.110 17.512 -2.567 1.00 0.00 C ATOM 955 C ASP A 58 2.572 16.821 -3.817 1.00 0.00 C ATOM 956 O ASP A 58 1.379 16.534 -3.916 1.00 0.00 O ATOM 957 CB ASP A 58 2.994 19.029 -2.723 1.00 0.00 C ATOM 958 CG ASP A 58 3.322 19.768 -1.440 1.00 0.00 C ATOM 959 OD1 ASP A 58 3.119 19.190 -0.352 1.00 0.00 O ATOM 960 OD2 ASP A 58 3.785 20.926 -1.523 1.00 0.00 O ATOM 0 H ASP A 58 5.179 17.619 -2.898 1.00 0.00 H new ATOM 0 HA ASP A 58 2.514 17.191 -1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.666 19.363 -3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.982 19.283 -3.037 1.00 0.00 H new ATOM 965 N THR A 59 3.458 16.558 -4.773 1.00 0.00 N ATOM 966 CA THR A 59 3.068 15.904 -6.016 1.00 0.00 C ATOM 967 C THR A 59 3.507 14.442 -6.026 1.00 0.00 C ATOM 968 O THR A 59 4.319 14.022 -5.203 1.00 0.00 O ATOM 969 CB THR A 59 3.670 16.639 -7.215 1.00 0.00 C ATOM 970 OG1 THR A 59 3.570 15.851 -8.389 1.00 0.00 O ATOM 971 CG2 THR A 59 5.128 17.000 -7.027 1.00 0.00 C ATOM 0 H THR A 59 4.450 16.788 -4.710 1.00 0.00 H new ATOM 0 HA THR A 59 1.981 15.937 -6.088 1.00 0.00 H new ATOM 0 HB THR A 59 3.094 17.560 -7.307 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.959 16.339 -9.145 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.492 17.519 -7.914 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.233 17.650 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.711 16.092 -6.873 1.00 0.00 H new ATOM 979 N GLN A 60 2.964 13.675 -6.967 1.00 0.00 N ATOM 980 CA GLN A 60 3.295 12.258 -7.092 1.00 0.00 C ATOM 981 C GLN A 60 3.962 11.977 -8.434 1.00 0.00 C ATOM 982 O GLN A 60 3.292 11.862 -9.461 1.00 0.00 O ATOM 983 CB GLN A 60 2.037 11.402 -6.953 1.00 0.00 C ATOM 984 CG GLN A 60 1.243 11.688 -5.689 1.00 0.00 C ATOM 985 CD GLN A 60 -0.218 11.304 -5.821 1.00 0.00 C ATOM 986 OE1 GLN A 60 -1.102 12.160 -5.792 1.00 0.00 O ATOM 987 NE2 GLN A 60 -0.479 10.010 -5.968 1.00 0.00 N ATOM 0 H GLN A 60 2.291 14.011 -7.656 1.00 0.00 H new ATOM 0 HA GLN A 60 3.991 12.002 -6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.397 11.568 -7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.321 10.350 -6.964 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.685 11.142 -4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.316 12.749 -5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.285 9.335 -5.987 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.443 9.692 -6.062 1.00 0.00 H new ATOM 996 N ILE A 61 5.284 11.866 -8.417 1.00 0.00 N ATOM 997 CA ILE A 61 6.049 11.603 -9.630 1.00 0.00 C ATOM 998 C ILE A 61 5.925 10.145 -10.063 1.00 0.00 C ATOM 999 O ILE A 61 6.794 9.323 -9.771 1.00 0.00 O ATOM 1000 CB ILE A 61 7.540 11.942 -9.439 1.00 0.00 C ATOM 1001 CG1 ILE A 61 8.082 11.273 -8.175 1.00 0.00 C ATOM 1002 CG2 ILE A 61 7.735 13.449 -9.374 1.00 0.00 C ATOM 1003 CD1 ILE A 61 9.501 10.768 -8.320 1.00 0.00 C ATOM 0 H ILE A 61 5.851 11.954 -7.574 1.00 0.00 H new ATOM 0 HA ILE A 61 5.631 12.244 -10.406 1.00 0.00 H new ATOM 0 HB ILE A 61 8.097 11.559 -10.294 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.041 11.985 -7.351 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.433 10.439 -7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.793 13.673 -9.239 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.384 13.902 -10.301 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.168 13.853 -8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.820 10.306 -7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.545 10.032 -9.123 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.162 11.602 -8.556 1.00 0.00 H new ATOM 1015 N GLY A 62 4.842 9.834 -10.766 1.00 0.00 N ATOM 1016 CA GLY A 62 4.624 8.479 -11.237 1.00 0.00 C ATOM 1017 C GLY A 62 4.290 7.511 -10.118 1.00 0.00 C ATOM 1018 O GLY A 62 4.439 6.299 -10.274 1.00 0.00 O ATOM 0 H GLY A 62 4.110 10.497 -11.019 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.813 8.479 -11.965 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.518 8.132 -11.756 1.00 0.00 H new ATOM 1022 N LEU A 63 3.840 8.043 -8.986 1.00 0.00 N ATOM 1023 CA LEU A 63 3.485 7.211 -7.843 1.00 0.00 C ATOM 1024 C LEU A 63 2.183 6.457 -8.106 1.00 0.00 C ATOM 1025 O LEU A 63 1.200 7.040 -8.563 1.00 0.00 O ATOM 1026 CB LEU A 63 3.354 8.069 -6.582 1.00 0.00 C ATOM 1027 CG LEU A 63 4.043 7.505 -5.339 1.00 0.00 C ATOM 1028 CD1 LEU A 63 3.639 6.056 -5.117 1.00 0.00 C ATOM 1029 CD2 LEU A 63 5.554 7.625 -5.470 1.00 0.00 C ATOM 0 H LEU A 63 3.713 9.044 -8.836 1.00 0.00 H new ATOM 0 HA LEU A 63 4.280 6.481 -7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.765 9.057 -6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.295 8.204 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 63 3.725 8.086 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.139 5.671 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.559 5.996 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.929 5.461 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.030 7.219 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.889 7.068 -6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.827 8.674 -5.582 1.00 0.00 H new ATOM 1041 N THR A 64 2.186 5.158 -7.821 1.00 0.00 N ATOM 1042 CA THR A 64 1.005 4.331 -8.036 1.00 0.00 C ATOM 1043 C THR A 64 0.684 3.487 -6.806 1.00 0.00 C ATOM 1044 O THR A 64 1.472 3.413 -5.863 1.00 0.00 O ATOM 1045 CB THR A 64 1.211 3.424 -9.250 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.020 4.061 -10.222 1.00 0.00 O ATOM 1047 CG2 THR A 64 -0.084 3.024 -9.922 1.00 0.00 C ATOM 0 H THR A 64 2.990 4.658 -7.442 1.00 0.00 H new ATOM 0 HA THR A 64 0.161 4.996 -8.220 1.00 0.00 H new ATOM 0 HB THR A 64 1.694 2.527 -8.862 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.141 3.464 -10.989 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.132 2.381 -10.775 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.711 2.485 -9.212 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.607 3.917 -10.264 1.00 0.00 H new ATOM 1055 N MET A 65 -0.484 2.853 -6.826 1.00 0.00 N ATOM 1056 CA MET A 65 -0.922 2.008 -5.725 1.00 0.00 C ATOM 1057 C MET A 65 -0.809 0.533 -6.097 1.00 0.00 C ATOM 1058 O MET A 65 -0.792 0.188 -7.278 1.00 0.00 O ATOM 1059 CB MET A 65 -2.367 2.348 -5.344 1.00 0.00 C ATOM 1060 CG MET A 65 -2.631 3.841 -5.233 1.00 0.00 C ATOM 1061 SD MET A 65 -3.489 4.504 -6.673 1.00 0.00 S ATOM 1062 CE MET A 65 -2.625 6.057 -6.897 1.00 0.00 C ATOM 0 H MET A 65 -1.147 2.910 -7.599 1.00 0.00 H new ATOM 0 HA MET A 65 -0.275 2.195 -4.868 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.040 1.923 -6.088 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.604 1.874 -4.392 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.225 4.035 -4.340 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.684 4.365 -5.106 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.930 6.510 -7.840 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.868 6.731 -6.075 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.550 5.877 -6.912 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.719 -0.364 -5.097 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.733 -0.009 -3.673 1.00 0.00 C ATOM 1074 C PRO A 66 0.595 0.563 -3.189 1.00 0.00 C ATOM 1075 O PRO A 66 1.657 0.248 -3.728 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.019 -1.348 -2.968 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.325 -2.319 -4.060 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.608 -1.810 -5.274 1.00 0.00 C ATOM 0 HA PRO A 66 -1.468 0.769 -3.467 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.159 -1.674 -2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.858 -1.257 -2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.986 -3.321 -3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.399 -2.382 -4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.430 -2.140 -5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.077 -2.147 -6.198 1.00 0.00 H new ATOM 1086 N GLN A 67 0.522 1.394 -2.155 1.00 0.00 N ATOM 1087 CA GLN A 67 1.708 2.010 -1.575 1.00 0.00 C ATOM 1088 C GLN A 67 1.865 1.588 -0.118 1.00 0.00 C ATOM 1089 O GLN A 67 1.015 1.887 0.719 1.00 0.00 O ATOM 1090 CB GLN A 67 1.614 3.531 -1.681 1.00 0.00 C ATOM 1091 CG GLN A 67 1.274 4.017 -3.080 1.00 0.00 C ATOM 1092 CD GLN A 67 -0.015 4.816 -3.132 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -0.983 4.504 -2.438 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -0.035 5.851 -3.965 1.00 0.00 N ATOM 0 H GLN A 67 -0.352 1.657 -1.700 1.00 0.00 H new ATOM 0 HA GLN A 67 2.585 1.674 -2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.856 3.890 -0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.563 3.969 -1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.092 4.633 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.190 3.159 -3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.790 6.074 -4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.876 6.423 -4.048 1.00 0.00 H new ATOM 1103 N VAL A 68 2.946 0.877 0.176 1.00 0.00 N ATOM 1104 CA VAL A 68 3.194 0.404 1.530 1.00 0.00 C ATOM 1105 C VAL A 68 4.063 1.380 2.317 1.00 0.00 C ATOM 1106 O VAL A 68 4.683 2.275 1.746 1.00 0.00 O ATOM 1107 CB VAL A 68 3.871 -0.985 1.532 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.713 -1.659 2.886 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.303 -1.863 0.424 1.00 0.00 C ATOM 0 H VAL A 68 3.662 0.616 -0.502 1.00 0.00 H new ATOM 0 HA VAL A 68 2.219 0.327 2.011 1.00 0.00 H new ATOM 0 HB VAL A 68 4.935 -0.845 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.197 -2.635 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.175 -1.041 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.653 -1.784 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.794 -2.836 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.232 -1.994 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.477 -1.388 -0.542 1.00 0.00 H new ATOM 1119 N PHE A 69 4.102 1.197 3.638 1.00 0.00 N ATOM 1120 CA PHE A 69 4.899 2.057 4.508 1.00 0.00 C ATOM 1121 C PHE A 69 5.516 1.249 5.647 1.00 0.00 C ATOM 1122 O PHE A 69 4.946 0.256 6.099 1.00 0.00 O ATOM 1123 CB PHE A 69 4.035 3.179 5.077 1.00 0.00 C ATOM 1124 CG PHE A 69 3.693 4.218 4.062 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.578 4.073 3.256 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.499 5.328 3.898 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.268 5.024 2.306 1.00 0.00 C ATOM 1128 CE2 PHE A 69 4.198 6.281 2.949 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.079 6.131 2.150 1.00 0.00 C ATOM 0 H PHE A 69 3.591 0.461 4.126 1.00 0.00 H new ATOM 0 HA PHE A 69 5.703 2.492 3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.115 2.754 5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.560 3.649 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.944 3.206 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.374 5.450 4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.393 4.903 1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.836 7.144 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.840 6.877 1.407 1.00 0.00 H new ATOM 1139 N ALA A 70 6.697 1.670 6.087 1.00 0.00 N ATOM 1140 CA ALA A 70 7.414 0.979 7.155 1.00 0.00 C ATOM 1141 C ALA A 70 6.594 0.899 8.443 1.00 0.00 C ATOM 1142 O ALA A 70 5.851 1.823 8.778 1.00 0.00 O ATOM 1143 CB ALA A 70 8.744 1.667 7.420 1.00 0.00 C ATOM 0 H ALA A 70 7.180 2.490 5.719 1.00 0.00 H new ATOM 0 HA ALA A 70 7.593 -0.043 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.271 1.144 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.349 1.650 6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.566 2.700 7.719 1.00 0.00 H new ATOM 1149 N PRO A 71 6.731 -0.217 9.186 1.00 0.00 N ATOM 1150 CA PRO A 71 6.017 -0.429 10.456 1.00 0.00 C ATOM 1151 C PRO A 71 6.249 0.705 11.451 1.00 0.00 C ATOM 1152 O PRO A 71 5.405 0.976 12.304 1.00 0.00 O ATOM 1153 CB PRO A 71 6.630 -1.731 10.984 1.00 0.00 C ATOM 1154 CG PRO A 71 7.098 -2.438 9.766 1.00 0.00 C ATOM 1155 CD PRO A 71 7.602 -1.360 8.854 1.00 0.00 C ATOM 0 HA PRO A 71 4.937 -0.468 10.317 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.454 -1.533 11.670 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.896 -2.323 11.530 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.886 -3.153 10.004 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.288 -3.000 9.301 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.653 -1.134 9.037 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.515 -1.644 7.805 1.00 0.00 H new ATOM 1163 N ASP A 72 7.400 1.359 11.338 1.00 0.00 N ATOM 1164 CA ASP A 72 7.749 2.457 12.234 1.00 0.00 C ATOM 1165 C ASP A 72 7.287 3.801 11.674 1.00 0.00 C ATOM 1166 O ASP A 72 6.945 4.712 12.428 1.00 0.00 O ATOM 1167 CB ASP A 72 9.259 2.487 12.470 1.00 0.00 C ATOM 1168 CG ASP A 72 10.046 2.600 11.178 1.00 0.00 C ATOM 1169 OD1 ASP A 72 9.575 2.072 10.148 1.00 0.00 O ATOM 1170 OD2 ASP A 72 11.132 3.216 11.197 1.00 0.00 O ATOM 0 H ASP A 72 8.108 1.148 10.635 1.00 0.00 H new ATOM 0 HA ASP A 72 7.237 2.288 13.181 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.506 3.329 13.117 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.559 1.581 12.997 1.00 0.00 H new ATOM 1175 N GLY A 73 7.282 3.921 10.351 1.00 0.00 N ATOM 1176 CA GLY A 73 6.861 5.161 9.727 1.00 0.00 C ATOM 1177 C GLY A 73 7.807 5.620 8.636 1.00 0.00 C ATOM 1178 O GLY A 73 8.651 6.487 8.859 1.00 0.00 O ATOM 0 H GLY A 73 7.561 3.185 9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.864 5.030 9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.786 5.938 10.488 1.00 0.00 H new ATOM 1182 N SER A 74 7.663 5.037 7.450 1.00 0.00 N ATOM 1183 CA SER A 74 8.503 5.387 6.311 1.00 0.00 C ATOM 1184 C SER A 74 7.891 4.861 5.017 1.00 0.00 C ATOM 1185 O SER A 74 7.005 4.012 5.048 1.00 0.00 O ATOM 1186 CB SER A 74 9.913 4.820 6.491 1.00 0.00 C ATOM 1187 OG SER A 74 10.158 4.477 7.844 1.00 0.00 O ATOM 0 H SER A 74 6.969 4.316 7.253 1.00 0.00 H new ATOM 0 HA SER A 74 8.567 6.474 6.254 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.037 3.939 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.648 5.554 6.160 1.00 0.00 H new ATOM 0 HG SER A 74 11.065 4.116 7.931 1.00 0.00 H new ATOM 1193 N HIS A 75 8.362 5.375 3.885 1.00 0.00 N ATOM 1194 CA HIS A 75 7.853 4.952 2.585 1.00 0.00 C ATOM 1195 C HIS A 75 8.658 3.776 2.034 1.00 0.00 C ATOM 1196 O HIS A 75 9.860 3.895 1.793 1.00 0.00 O ATOM 1197 CB HIS A 75 7.894 6.119 1.597 1.00 0.00 C ATOM 1198 CG HIS A 75 7.123 5.868 0.338 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.598 6.148 -0.923 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.882 5.346 0.163 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.653 5.798 -1.806 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.591 5.306 -1.198 1.00 0.00 N ATOM 0 H HIS A 75 9.094 6.084 3.842 1.00 0.00 H new ATOM 0 HA HIS A 75 6.821 4.628 2.717 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.498 7.010 2.084 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.932 6.331 1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.225 5.015 0.954 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.748 5.905 -2.876 1.00 0.00 H new ATOM 0 HE2 HIS A 75 4.734 4.966 -1.634 1.00 0.00 H new ATOM 1210 N ILE A 76 7.988 2.643 1.831 1.00 0.00 N ATOM 1211 CA ILE A 76 8.645 1.451 1.299 1.00 0.00 C ATOM 1212 C ILE A 76 8.446 1.353 -0.206 1.00 0.00 C ATOM 1213 O ILE A 76 9.385 1.078 -0.954 1.00 0.00 O ATOM 1214 CB ILE A 76 8.108 0.154 1.941 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.101 0.263 3.464 1.00 0.00 C ATOM 1216 CG2 ILE A 76 8.934 -1.046 1.492 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.190 -0.748 4.125 1.00 0.00 C ATOM 0 H ILE A 76 6.994 2.526 2.026 1.00 0.00 H new ATOM 0 HA ILE A 76 9.704 1.552 1.538 1.00 0.00 H new ATOM 0 HB ILE A 76 7.080 0.010 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.116 0.128 3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.788 1.267 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.541 -1.952 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.880 -1.140 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.972 -0.906 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.229 -0.620 5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.168 -0.598 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.517 -1.755 3.867 1.00 0.00 H new ATOM 1229 N GLY A 77 7.208 1.557 -0.640 1.00 0.00 N ATOM 1230 CA GLY A 77 6.894 1.471 -2.050 1.00 0.00 C ATOM 1231 C GLY A 77 5.847 0.420 -2.334 1.00 0.00 C ATOM 1232 O GLY A 77 4.961 0.173 -1.516 1.00 0.00 O ATOM 0 H GLY A 77 6.416 1.781 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.540 2.440 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.800 1.240 -2.610 1.00 0.00 H new ATOM 1236 N GLY A 78 5.948 -0.195 -3.499 1.00 0.00 N ATOM 1237 CA GLY A 78 5.000 -1.225 -3.881 1.00 0.00 C ATOM 1238 C GLY A 78 5.410 -2.596 -3.379 1.00 0.00 C ATOM 1239 O GLY A 78 6.235 -2.713 -2.473 1.00 0.00 O ATOM 0 H GLY A 78 6.671 -0.001 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.015 -0.975 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.911 -1.249 -4.967 1.00 0.00 H new ATOM 1243 N PHE A 79 4.835 -3.636 -3.971 1.00 0.00 N ATOM 1244 CA PHE A 79 5.149 -5.006 -3.583 1.00 0.00 C ATOM 1245 C PHE A 79 6.570 -5.365 -4.003 1.00 0.00 C ATOM 1246 O PHE A 79 7.358 -5.866 -3.202 1.00 0.00 O ATOM 1247 CB PHE A 79 4.152 -5.973 -4.225 1.00 0.00 C ATOM 1248 CG PHE A 79 4.459 -7.424 -3.980 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.580 -7.917 -2.690 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.636 -8.294 -5.045 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.868 -9.251 -2.467 1.00 0.00 C ATOM 1252 CE2 PHE A 79 4.925 -9.628 -4.828 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.042 -10.106 -3.537 1.00 0.00 C ATOM 0 H PHE A 79 4.149 -3.557 -4.722 1.00 0.00 H new ATOM 0 HA PHE A 79 5.076 -5.087 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.154 -5.755 -3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.130 -5.794 -5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.448 -7.252 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.547 -7.925 -6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.957 -9.624 -1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.059 -10.296 -5.666 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.269 -11.148 -3.365 1.00 0.00 H new ATOM 1263 N ASP A 80 6.892 -5.092 -5.264 1.00 0.00 N ATOM 1264 CA ASP A 80 8.221 -5.377 -5.795 1.00 0.00 C ATOM 1265 C ASP A 80 9.294 -4.697 -4.951 1.00 0.00 C ATOM 1266 O ASP A 80 10.273 -5.327 -4.549 1.00 0.00 O ATOM 1267 CB ASP A 80 8.324 -4.906 -7.247 1.00 0.00 C ATOM 1268 CG ASP A 80 9.625 -5.328 -7.901 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.679 -4.759 -7.549 1.00 0.00 O ATOM 1270 OD2 ASP A 80 9.590 -6.228 -8.767 1.00 0.00 O ATOM 0 H ASP A 80 6.250 -4.674 -5.937 1.00 0.00 H new ATOM 0 HA ASP A 80 8.380 -6.455 -5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.487 -5.309 -7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.239 -3.820 -7.281 1.00 0.00 H new ATOM 1275 N GLN A 81 9.099 -3.411 -4.683 1.00 0.00 N ATOM 1276 CA GLN A 81 10.047 -2.646 -3.881 1.00 0.00 C ATOM 1277 C GLN A 81 10.120 -3.205 -2.463 1.00 0.00 C ATOM 1278 O GLN A 81 11.167 -3.157 -1.818 1.00 0.00 O ATOM 1279 CB GLN A 81 9.644 -1.170 -3.844 1.00 0.00 C ATOM 1280 CG GLN A 81 10.802 -0.217 -4.095 1.00 0.00 C ATOM 1281 CD GLN A 81 10.375 1.038 -4.831 1.00 0.00 C ATOM 1282 OE1 GLN A 81 10.661 2.154 -4.396 1.00 0.00 O ATOM 1283 NE2 GLN A 81 9.689 0.862 -5.954 1.00 0.00 N ATOM 0 H GLN A 81 8.294 -2.876 -5.009 1.00 0.00 H new ATOM 0 HA GLN A 81 11.032 -2.730 -4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.871 -0.994 -4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.204 -0.946 -2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.252 0.061 -3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.571 -0.729 -4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.474 -0.081 -6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.377 1.670 -6.493 1.00 0.00 H new ATOM 1292 N LEU A 82 8.998 -3.737 -1.990 1.00 0.00 N ATOM 1293 CA LEU A 82 8.924 -4.311 -0.653 1.00 0.00 C ATOM 1294 C LEU A 82 9.643 -5.654 -0.604 1.00 0.00 C ATOM 1295 O LEU A 82 10.370 -5.952 0.343 1.00 0.00 O ATOM 1296 CB LEU A 82 7.462 -4.485 -0.239 1.00 0.00 C ATOM 1297 CG LEU A 82 7.239 -5.143 1.125 1.00 0.00 C ATOM 1298 CD1 LEU A 82 7.394 -6.651 1.025 1.00 0.00 C ATOM 1299 CD2 LEU A 82 8.197 -4.571 2.159 1.00 0.00 C ATOM 0 H LEU A 82 8.125 -3.782 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 82 9.415 -3.631 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.985 -3.505 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.956 -5.081 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 82 6.220 -4.926 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.232 -7.099 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.663 -7.046 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.399 -6.891 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.023 -5.052 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.224 -4.753 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.032 -3.498 2.254 1.00 0.00 H new ATOM 1311 N ARG A 83 9.435 -6.462 -1.635 1.00 0.00 N ATOM 1312 CA ARG A 83 10.064 -7.776 -1.719 1.00 0.00 C ATOM 1313 C ARG A 83 11.579 -7.655 -1.613 1.00 0.00 C ATOM 1314 O ARG A 83 12.222 -8.421 -0.896 1.00 0.00 O ATOM 1315 CB ARG A 83 9.685 -8.461 -3.033 1.00 0.00 C ATOM 1316 CG ARG A 83 9.974 -9.953 -3.051 1.00 0.00 C ATOM 1317 CD ARG A 83 9.221 -10.650 -4.172 1.00 0.00 C ATOM 1318 NE ARG A 83 9.910 -11.854 -4.631 1.00 0.00 N ATOM 1319 CZ ARG A 83 10.964 -11.842 -5.444 1.00 0.00 C ATOM 1320 NH1 ARG A 83 11.453 -10.691 -5.889 1.00 0.00 N ATOM 1321 NH2 ARG A 83 11.529 -12.983 -5.813 1.00 0.00 N ATOM 0 H ARG A 83 8.835 -6.231 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 83 9.705 -8.381 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.623 -8.304 -3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.227 -7.985 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.045 -10.116 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.692 -10.391 -2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.221 -10.914 -3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.098 -9.962 -5.008 1.00 0.00 H new ATOM 0 HE ARG A 83 9.563 -12.757 -4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.021 -9.811 -5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.261 -10.687 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.156 -13.870 -5.474 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.337 -12.974 -6.436 1.00 0.00 H new ATOM 1335 N GLU A 84 12.144 -6.679 -2.318 1.00 0.00 N ATOM 1336 CA GLU A 84 13.583 -6.461 -2.277 1.00 0.00 C ATOM 1337 C GLU A 84 14.004 -6.114 -0.861 1.00 0.00 C ATOM 1338 O GLU A 84 15.034 -6.574 -0.372 1.00 0.00 O ATOM 1339 CB GLU A 84 13.995 -5.350 -3.246 1.00 0.00 C ATOM 1340 CG GLU A 84 15.420 -5.486 -3.758 1.00 0.00 C ATOM 1341 CD GLU A 84 15.868 -4.281 -4.563 1.00 0.00 C ATOM 1342 OE1 GLU A 84 14.995 -3.573 -5.109 1.00 0.00 O ATOM 1343 OE2 GLU A 84 17.092 -4.045 -4.647 1.00 0.00 O ATOM 0 H GLU A 84 11.632 -6.033 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 84 14.086 -7.377 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.311 -5.348 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.887 -4.387 -2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.094 -5.625 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.496 -6.380 -4.377 1.00 0.00 H new ATOM 1350 N TYR A 85 13.171 -5.330 -0.196 1.00 0.00 N ATOM 1351 CA TYR A 85 13.416 -4.952 1.182 1.00 0.00 C ATOM 1352 C TYR A 85 13.460 -6.209 2.037 1.00 0.00 C ATOM 1353 O TYR A 85 14.295 -6.345 2.930 1.00 0.00 O ATOM 1354 CB TYR A 85 12.304 -3.994 1.648 1.00 0.00 C ATOM 1355 CG TYR A 85 12.086 -3.895 3.147 1.00 0.00 C ATOM 1356 CD1 TYR A 85 13.076 -4.231 4.065 1.00 0.00 C ATOM 1357 CD2 TYR A 85 10.867 -3.448 3.640 1.00 0.00 C ATOM 1358 CE1 TYR A 85 12.853 -4.124 5.425 1.00 0.00 C ATOM 1359 CE2 TYR A 85 10.638 -3.335 4.994 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.634 -3.673 5.885 1.00 0.00 C ATOM 1361 OH TYR A 85 11.410 -3.561 7.238 1.00 0.00 O ATOM 0 H TYR A 85 12.315 -4.942 -0.593 1.00 0.00 H new ATOM 0 HA TYR A 85 14.372 -4.436 1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 85 12.530 -2.997 1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.367 -4.306 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 85 14.034 -4.581 3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 85 10.082 -3.183 2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 85 13.631 -4.393 6.125 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.683 -2.983 5.355 1.00 0.00 H new ATOM 0 HH TYR A 85 10.501 -3.228 7.393 1.00 0.00 H new ATOM 1371 N PHE A 86 12.565 -7.136 1.742 1.00 0.00 N ATOM 1372 CA PHE A 86 12.502 -8.382 2.486 1.00 0.00 C ATOM 1373 C PHE A 86 13.528 -9.401 1.991 1.00 0.00 C ATOM 1374 O PHE A 86 13.732 -10.436 2.624 1.00 0.00 O ATOM 1375 CB PHE A 86 11.095 -8.980 2.391 1.00 0.00 C ATOM 1376 CG PHE A 86 10.094 -8.387 3.350 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.496 -7.802 4.543 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.744 -8.425 3.052 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.567 -7.268 5.414 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.812 -7.892 3.920 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.224 -7.313 5.102 1.00 0.00 C ATOM 0 H PHE A 86 11.875 -7.050 0.996 1.00 0.00 H new ATOM 0 HA PHE A 86 12.738 -8.151 3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.726 -8.848 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.158 -10.053 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.546 -7.764 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.415 -8.877 2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.892 -6.815 6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.761 -7.928 3.674 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.496 -6.896 5.782 1.00 0.00 H new ATOM 1391 N LYS A 87 14.168 -9.114 0.860 1.00 0.00 N ATOM 1392 CA LYS A 87 15.163 -10.025 0.300 1.00 0.00 C ATOM 1393 C LYS A 87 16.199 -10.424 1.351 1.00 0.00 C ATOM 1394 O LYS A 87 16.471 -9.606 2.254 1.00 0.00 O ATOM 1395 CB LYS A 87 15.852 -9.386 -0.912 1.00 0.00 C ATOM 1396 CG LYS A 87 16.995 -8.447 -0.554 1.00 0.00 C ATOM 1397 CD LYS A 87 17.317 -7.502 -1.700 1.00 0.00 C ATOM 1398 CE LYS A 87 18.525 -7.976 -2.490 1.00 0.00 C ATOM 1399 NZ LYS A 87 19.772 -7.278 -2.072 1.00 0.00 N ATOM 1400 OXT LYS A 87 16.728 -11.552 1.260 1.00 0.00 O ATOM 0 H LYS A 87 14.017 -8.264 0.317 1.00 0.00 H new ATOM 0 HA LYS A 87 14.646 -10.928 -0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.234 -10.177 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.110 -8.834 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.730 -7.870 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.881 -9.030 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.455 -7.425 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 87 17.507 -6.503 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.648 -9.051 -2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.353 -7.806 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 20.572 -7.630 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.665 -6.255 -2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.951 -7.461 -1.064 1.00 0.00 H new TER 1414 LYS A 87