USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=23 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 67 GLN :FLIP amide:sc= -6.43! C(o=-7.5!,f=-7!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -0.531 K(o=-7,f=-10) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 37 MET CE :methyl 156:sc= -0.399 (180deg=-2.33!) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.496 (180deg=-1.33) USER MOD Single : A 1 MET N :NH3+ -107:sc= -3.34! (180deg=-6.45!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.373 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0592 K(o=-0.059,f=-1.3!) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.0226 F(o=-0.92,f=0.023) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 61:sc= -0.113 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -62:sc= 0.588 USER MOD Single : A 19 ASN : amide:sc= -0.642 X(o=-0.64,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 79:sc= 0.945 USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0154 (180deg=-0.146) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.1!) USER MOD Single : A 35 ASN : amide:sc= -2.19 K(o=-2.2,f=-2.7!) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0925) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 0.296 (180deg=0.00156) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 60 GLN : amide:sc= -1.64! C(o=-1.6!,f=-2.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -143:sc= -3.06 (180deg=-7.31!) USER MOD Single : A 74 SER OG : rot 180:sc= -1.95 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 153:sc= -0.105 (180deg=-1.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.360 -2.116 12.593 1.00 0.00 N ATOM 2 CA MET A 1 2.507 -2.806 11.586 1.00 0.00 C ATOM 3 C MET A 1 2.586 -2.124 10.226 1.00 0.00 C ATOM 4 O MET A 1 2.418 -0.910 10.119 1.00 0.00 O ATOM 5 CB MET A 1 1.075 -2.805 12.116 1.00 0.00 C ATOM 6 CG MET A 1 0.067 -3.527 11.250 1.00 0.00 C ATOM 7 SD MET A 1 -1.593 -3.487 11.954 1.00 0.00 S ATOM 8 CE MET A 1 -1.250 -3.901 13.662 1.00 0.00 C ATOM 0 H1 MET A 1 4.200 -2.696 12.792 1.00 0.00 H new ATOM 0 H2 MET A 1 3.658 -1.192 12.221 1.00 0.00 H new ATOM 0 H3 MET A 1 2.819 -1.978 13.470 1.00 0.00 H new ATOM 0 HA MET A 1 2.858 -3.828 11.440 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.071 -3.260 13.107 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.751 -1.772 12.239 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.050 -3.072 10.260 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.379 -4.563 11.120 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.172 -4.210 14.154 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.527 -4.716 13.701 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.841 -3.029 14.173 1.00 0.00 H new ATOM 20 N PHE A 2 2.855 -2.908 9.188 1.00 0.00 N ATOM 21 CA PHE A 2 2.968 -2.365 7.844 1.00 0.00 C ATOM 22 C PHE A 2 1.645 -1.765 7.394 1.00 0.00 C ATOM 23 O PHE A 2 0.583 -2.108 7.914 1.00 0.00 O ATOM 24 CB PHE A 2 3.434 -3.440 6.859 1.00 0.00 C ATOM 25 CG PHE A 2 4.888 -3.788 7.005 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.297 -4.725 7.938 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.844 -3.175 6.212 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.633 -5.046 8.077 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.181 -3.492 6.347 1.00 0.00 C ATOM 30 CZ PHE A 2 7.576 -4.429 7.281 1.00 0.00 C ATOM 0 H PHE A 2 2.998 -3.916 9.253 1.00 0.00 H new ATOM 0 HA PHE A 2 3.716 -1.573 7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.836 -4.340 7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.250 -3.095 5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.563 -5.211 8.564 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.540 -2.441 5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.939 -5.779 8.808 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.917 -3.008 5.723 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.621 -4.679 7.388 1.00 0.00 H new ATOM 40 N LYS A 3 1.722 -0.852 6.439 1.00 0.00 N ATOM 41 CA LYS A 3 0.539 -0.180 5.929 1.00 0.00 C ATOM 42 C LYS A 3 0.524 -0.184 4.408 1.00 0.00 C ATOM 43 O LYS A 3 1.425 0.360 3.777 1.00 0.00 O ATOM 44 CB LYS A 3 0.517 1.259 6.439 1.00 0.00 C ATOM 45 CG LYS A 3 0.096 1.387 7.892 1.00 0.00 C ATOM 46 CD LYS A 3 1.294 1.639 8.797 1.00 0.00 C ATOM 47 CE LYS A 3 1.325 3.074 9.298 1.00 0.00 C ATOM 48 NZ LYS A 3 2.028 3.193 10.605 1.00 0.00 N ATOM 0 H LYS A 3 2.595 -0.559 6.000 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.344 -0.714 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.510 1.693 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.164 1.844 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.618 2.204 7.995 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.414 0.476 8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.259 0.957 9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.213 1.423 8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.821 3.705 8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.305 3.445 9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.027 4.187 10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.540 2.611 11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.009 2.864 10.503 1.00 0.00 H new ATOM 62 N VAL A 4 -0.496 -0.794 3.818 1.00 0.00 N ATOM 63 CA VAL A 4 -0.593 -0.843 2.364 1.00 0.00 C ATOM 64 C VAL A 4 -1.647 0.117 1.829 1.00 0.00 C ATOM 65 O VAL A 4 -2.786 0.141 2.297 1.00 0.00 O ATOM 66 CB VAL A 4 -0.905 -2.263 1.843 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.454 -2.211 0.424 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.335 -3.131 1.884 1.00 0.00 C ATOM 0 H VAL A 4 -1.258 -1.256 4.315 1.00 0.00 H new ATOM 0 HA VAL A 4 0.388 -0.540 1.998 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.662 -2.699 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.666 -3.223 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.372 -1.623 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.718 -1.750 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.094 -4.127 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.110 -2.688 1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.695 -3.203 2.910 1.00 0.00 H new ATOM 78 N TYR A 5 -1.256 0.878 0.816 1.00 0.00 N ATOM 79 CA TYR A 5 -2.150 1.824 0.169 1.00 0.00 C ATOM 80 C TYR A 5 -2.515 1.307 -1.216 1.00 0.00 C ATOM 81 O TYR A 5 -1.735 1.440 -2.157 1.00 0.00 O ATOM 82 CB TYR A 5 -1.485 3.196 0.038 1.00 0.00 C ATOM 83 CG TYR A 5 -1.369 3.969 1.334 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.958 3.354 2.511 1.00 0.00 C ATOM 85 CD2 TYR A 5 -1.659 5.327 1.372 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.844 4.072 3.686 1.00 0.00 C ATOM 87 CE2 TYR A 5 -1.545 6.050 2.543 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.137 5.419 3.697 1.00 0.00 C ATOM 89 OH TYR A 5 -1.023 6.136 4.865 1.00 0.00 O ATOM 0 H TYR A 5 -0.315 0.856 0.422 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.048 1.928 0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.487 3.063 -0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.053 3.793 -0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.724 2.300 2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.979 5.826 0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.526 3.579 4.593 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.775 7.105 2.554 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.265 7.071 4.700 1.00 0.00 H new ATOM 99 N GLY A 6 -3.690 0.704 -1.337 1.00 0.00 N ATOM 100 CA GLY A 6 -4.113 0.174 -2.614 1.00 0.00 C ATOM 101 C GLY A 6 -5.605 -0.065 -2.671 1.00 0.00 C ATOM 102 O GLY A 6 -6.388 0.725 -2.146 1.00 0.00 O ATOM 0 H GLY A 6 -4.355 0.574 -0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.828 0.868 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.590 -0.762 -2.807 1.00 0.00 H new ATOM 106 N TYR A 7 -5.996 -1.154 -3.316 1.00 0.00 N ATOM 107 CA TYR A 7 -7.396 -1.498 -3.452 1.00 0.00 C ATOM 108 C TYR A 7 -7.694 -2.840 -2.791 1.00 0.00 C ATOM 109 O TYR A 7 -6.823 -3.702 -2.694 1.00 0.00 O ATOM 110 CB TYR A 7 -7.761 -1.538 -4.930 1.00 0.00 C ATOM 111 CG TYR A 7 -7.659 -0.189 -5.603 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.599 0.805 -5.357 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.616 0.095 -6.475 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.501 2.042 -5.963 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.511 1.330 -7.083 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.456 2.300 -6.826 1.00 0.00 C ATOM 117 OH TYR A 7 -7.353 3.532 -7.431 1.00 0.00 O ATOM 0 H TYR A 7 -5.356 -1.816 -3.755 1.00 0.00 H new ATOM 0 HA TYR A 7 -7.998 -0.741 -2.950 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.105 -2.243 -5.441 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.778 -1.915 -5.037 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.418 0.607 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.875 -0.663 -6.681 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.239 2.804 -5.762 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.692 1.535 -7.757 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.560 3.548 -8.007 1.00 0.00 H new ATOM 127 N ASP A 8 -8.929 -3.006 -2.329 1.00 0.00 N ATOM 128 CA ASP A 8 -9.334 -4.242 -1.670 1.00 0.00 C ATOM 129 C ASP A 8 -9.623 -5.339 -2.691 1.00 0.00 C ATOM 130 O ASP A 8 -8.830 -6.264 -2.864 1.00 0.00 O ATOM 131 CB ASP A 8 -10.567 -3.997 -0.795 1.00 0.00 C ATOM 132 CG ASP A 8 -10.252 -4.087 0.686 1.00 0.00 C ATOM 133 OD1 ASP A 8 -9.062 -3.971 1.049 1.00 0.00 O ATOM 134 OD2 ASP A 8 -11.194 -4.275 1.482 1.00 0.00 O ATOM 0 H ASP A 8 -9.664 -2.303 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.510 -4.574 -1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.977 -3.012 -1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.337 -4.727 -1.045 1.00 0.00 H new ATOM 139 N SER A 9 -10.768 -5.232 -3.361 1.00 0.00 N ATOM 140 CA SER A 9 -11.169 -6.216 -4.365 1.00 0.00 C ATOM 141 C SER A 9 -12.607 -5.972 -4.808 1.00 0.00 C ATOM 142 O SER A 9 -12.925 -6.049 -5.994 1.00 0.00 O ATOM 143 CB SER A 9 -11.026 -7.639 -3.817 1.00 0.00 C ATOM 144 OG SER A 9 -11.769 -8.562 -4.595 1.00 0.00 O ATOM 0 H SER A 9 -11.436 -4.473 -3.227 1.00 0.00 H new ATOM 0 HA SER A 9 -10.511 -6.106 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.975 -7.926 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.370 -7.670 -2.783 1.00 0.00 H new ATOM 0 HG SER A 9 -11.660 -9.463 -4.226 1.00 0.00 H new ATOM 150 N ASN A 10 -13.469 -5.672 -3.841 1.00 0.00 N ATOM 151 CA ASN A 10 -14.877 -5.410 -4.123 1.00 0.00 C ATOM 152 C ASN A 10 -15.062 -4.017 -4.718 1.00 0.00 C ATOM 153 O ASN A 10 -16.020 -3.767 -5.450 1.00 0.00 O ATOM 154 CB ASN A 10 -15.705 -5.542 -2.843 1.00 0.00 C ATOM 155 CG ASN A 10 -17.173 -5.797 -3.127 1.00 0.00 C ATOM 156 OD1 ASN A 10 -17.525 -6.423 -4.126 1.00 0.00 O ATOM 157 ND2 ASN A 10 -18.037 -5.311 -2.242 1.00 0.00 N ATOM 0 H ASN A 10 -13.217 -5.604 -2.855 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.221 -6.146 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.308 -6.358 -2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.605 -4.631 -2.253 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -19.038 -5.451 -2.377 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.699 -4.798 -1.428 1.00 0.00 H new ATOM 164 N ILE A 11 -14.139 -3.115 -4.399 1.00 0.00 N ATOM 165 CA ILE A 11 -14.199 -1.749 -4.906 1.00 0.00 C ATOM 166 C ILE A 11 -13.454 -1.625 -6.227 1.00 0.00 C ATOM 167 O ILE A 11 -13.913 -0.954 -7.152 1.00 0.00 O ATOM 168 CB ILE A 11 -13.594 -0.746 -3.904 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.182 -0.964 -2.510 1.00 0.00 C ATOM 170 CG2 ILE A 11 -13.837 0.681 -4.372 1.00 0.00 C ATOM 171 CD1 ILE A 11 -13.423 -1.981 -1.688 1.00 0.00 C ATOM 0 H ILE A 11 -13.341 -3.305 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.253 -1.515 -5.054 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.518 -0.912 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.194 -0.013 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.218 -1.288 -2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.404 1.378 -3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.372 0.828 -5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -14.909 0.861 -4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -13.895 -2.085 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.433 -2.943 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.393 -1.649 -1.559 1.00 0.00 H new ATOM 183 N HIS A 12 -12.299 -2.275 -6.308 1.00 0.00 N ATOM 184 CA HIS A 12 -11.486 -2.236 -7.512 1.00 0.00 C ATOM 185 C HIS A 12 -10.691 -3.524 -7.677 1.00 0.00 C ATOM 186 O HIS A 12 -10.320 -4.167 -6.695 1.00 0.00 O ATOM 187 CB HIS A 12 -10.542 -1.036 -7.474 1.00 0.00 C ATOM 188 CG HIS A 12 -10.020 -0.634 -8.816 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.764 -0.296 -9.201 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -10.804 -0.532 -9.943 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.769 0.011 -10.559 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -10.017 -0.147 -10.957 1.00 0.00 N flip ATOM 0 H HIS A 12 -11.906 -2.835 -5.552 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.153 -2.136 -8.368 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.064 -0.189 -7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.700 -1.269 -6.822 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -7.946 -0.271 -8.592 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.865 -0.727 -10.000 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.926 0.315 -11.162 1.00 0.00 H new ATOM 200 N LYS A 13 -10.433 -3.893 -8.924 1.00 0.00 N ATOM 201 CA LYS A 13 -9.682 -5.108 -9.226 1.00 0.00 C ATOM 202 C LYS A 13 -8.205 -4.931 -8.893 1.00 0.00 C ATOM 203 O LYS A 13 -7.640 -3.853 -9.082 1.00 0.00 O ATOM 204 CB LYS A 13 -9.849 -5.487 -10.701 1.00 0.00 C ATOM 205 CG LYS A 13 -10.251 -6.939 -10.913 1.00 0.00 C ATOM 206 CD LYS A 13 -9.147 -7.890 -10.483 1.00 0.00 C ATOM 207 CE LYS A 13 -9.133 -9.158 -11.325 1.00 0.00 C ATOM 208 NZ LYS A 13 -9.265 -10.383 -10.487 1.00 0.00 N ATOM 0 H LYS A 13 -10.733 -3.368 -9.746 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.079 -5.914 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.602 -4.840 -11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.912 -5.297 -11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.158 -7.153 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.485 -7.103 -11.965 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.183 -7.388 -10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.281 -8.152 -9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.948 -9.123 -12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.205 -9.206 -11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.251 -11.225 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.473 -10.430 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.163 -10.350 -9.963 1.00 0.00 H new ATOM 222 N CYS A 14 -7.584 -5.995 -8.395 1.00 0.00 N ATOM 223 CA CYS A 14 -6.170 -5.959 -8.037 1.00 0.00 C ATOM 224 C CYS A 14 -5.701 -7.317 -7.525 1.00 0.00 C ATOM 225 O CYS A 14 -5.962 -7.686 -6.381 1.00 0.00 O ATOM 226 CB CYS A 14 -5.910 -4.884 -6.976 1.00 0.00 C ATOM 227 SG CYS A 14 -4.975 -3.461 -7.584 1.00 0.00 S ATOM 0 H CYS A 14 -8.038 -6.894 -8.230 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.605 -5.714 -8.936 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.866 -4.537 -6.584 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.368 -5.333 -6.144 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.643 -2.876 -8.533 1.00 0.00 H new ATOM 233 N VAL A 15 -4.999 -8.055 -8.379 1.00 0.00 N ATOM 234 CA VAL A 15 -4.486 -9.373 -8.016 1.00 0.00 C ATOM 235 C VAL A 15 -3.121 -9.272 -7.340 1.00 0.00 C ATOM 236 O VAL A 15 -2.682 -10.202 -6.663 1.00 0.00 O ATOM 237 CB VAL A 15 -4.356 -10.281 -9.253 1.00 0.00 C ATOM 238 CG1 VAL A 15 -5.728 -10.625 -9.810 1.00 0.00 C ATOM 239 CG2 VAL A 15 -3.494 -9.615 -10.314 1.00 0.00 C ATOM 0 H VAL A 15 -4.772 -7.763 -9.329 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.203 -9.807 -7.319 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.870 -11.209 -8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.615 -11.267 -10.684 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.309 -11.146 -9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.244 -9.709 -10.097 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.413 -10.271 -11.181 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.950 -8.672 -10.614 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.500 -9.425 -9.909 1.00 0.00 H new ATOM 249 N TYR A 16 -2.445 -8.142 -7.538 1.00 0.00 N ATOM 250 CA TYR A 16 -1.122 -7.928 -6.956 1.00 0.00 C ATOM 251 C TYR A 16 -1.208 -7.620 -5.463 1.00 0.00 C ATOM 252 O TYR A 16 -0.227 -7.776 -4.735 1.00 0.00 O ATOM 253 CB TYR A 16 -0.398 -6.794 -7.686 1.00 0.00 C ATOM 254 CG TYR A 16 0.598 -7.283 -8.713 1.00 0.00 C ATOM 255 CD1 TYR A 16 1.903 -7.591 -8.351 1.00 0.00 C ATOM 256 CD2 TYR A 16 0.230 -7.440 -10.044 1.00 0.00 C ATOM 257 CE1 TYR A 16 2.815 -8.042 -9.287 1.00 0.00 C ATOM 258 CE2 TYR A 16 1.136 -7.889 -10.985 1.00 0.00 C ATOM 259 CZ TYR A 16 2.427 -8.189 -10.602 1.00 0.00 C ATOM 260 OH TYR A 16 3.331 -8.638 -11.536 1.00 0.00 O ATOM 0 H TYR A 16 -2.791 -7.362 -8.096 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.555 -8.851 -7.075 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.135 -6.159 -8.178 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.120 -6.173 -6.955 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.210 -7.476 -7.322 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.780 -7.207 -10.347 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.826 -8.278 -8.990 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.835 -8.005 -12.016 1.00 0.00 H new ATOM 0 HH TYR A 16 2.898 -8.686 -12.414 1.00 0.00 H new ATOM 270 N CYS A 17 -2.378 -7.182 -5.005 1.00 0.00 N ATOM 271 CA CYS A 17 -2.562 -6.861 -3.595 1.00 0.00 C ATOM 272 C CYS A 17 -2.575 -8.131 -2.751 1.00 0.00 C ATOM 273 O CYS A 17 -1.941 -8.195 -1.698 1.00 0.00 O ATOM 274 CB CYS A 17 -3.854 -6.062 -3.382 1.00 0.00 C ATOM 275 SG CYS A 17 -5.374 -7.009 -3.634 1.00 0.00 S ATOM 0 H CYS A 17 -3.205 -7.043 -5.585 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.722 -6.244 -3.276 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.855 -5.661 -2.368 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.855 -5.210 -4.062 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.424 -7.431 -4.863 1.00 0.00 H new ATOM 281 N ASP A 18 -3.289 -9.148 -3.225 1.00 0.00 N ATOM 282 CA ASP A 18 -3.376 -10.418 -2.515 1.00 0.00 C ATOM 283 C ASP A 18 -2.005 -11.079 -2.420 1.00 0.00 C ATOM 284 O ASP A 18 -1.639 -11.630 -1.381 1.00 0.00 O ATOM 285 CB ASP A 18 -4.357 -11.356 -3.220 1.00 0.00 C ATOM 286 CG ASP A 18 -5.104 -12.244 -2.245 1.00 0.00 C ATOM 287 OD1 ASP A 18 -4.450 -13.068 -1.572 1.00 0.00 O ATOM 288 OD2 ASP A 18 -6.342 -12.114 -2.153 1.00 0.00 O ATOM 0 H ASP A 18 -3.815 -9.116 -4.098 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.737 -10.218 -1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.073 -10.766 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.814 -11.978 -3.932 1.00 0.00 H new ATOM 293 N ASN A 19 -1.250 -11.019 -3.512 1.00 0.00 N ATOM 294 CA ASN A 19 0.081 -11.615 -3.557 1.00 0.00 C ATOM 295 C ASN A 19 0.987 -10.997 -2.497 1.00 0.00 C ATOM 296 O ASN A 19 1.633 -11.709 -1.726 1.00 0.00 O ATOM 297 CB ASN A 19 0.699 -11.433 -4.944 1.00 0.00 C ATOM 298 CG ASN A 19 -0.250 -11.836 -6.057 1.00 0.00 C ATOM 299 OD1 ASN A 19 -1.187 -12.607 -5.842 1.00 0.00 O ATOM 300 ND2 ASN A 19 -0.012 -11.316 -7.256 1.00 0.00 N ATOM 0 H ASN A 19 -1.537 -10.563 -4.378 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.017 -12.681 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.988 -10.390 -5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.610 -12.027 -5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.617 -11.551 -8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.775 -10.681 -7.390 1.00 0.00 H new ATOM 307 N ALA A 20 1.044 -9.668 -2.472 1.00 0.00 N ATOM 308 CA ALA A 20 1.875 -8.964 -1.506 1.00 0.00 C ATOM 309 C ALA A 20 1.428 -9.262 -0.080 1.00 0.00 C ATOM 310 O ALA A 20 2.236 -9.247 0.850 1.00 0.00 O ATOM 311 CB ALA A 20 1.850 -7.465 -1.770 1.00 0.00 C ATOM 0 H ALA A 20 0.526 -9.061 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 20 2.899 -9.319 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.477 -6.956 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.228 -7.266 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.827 -7.098 -1.689 1.00 0.00 H new ATOM 317 N LYS A 21 0.142 -9.548 0.087 1.00 0.00 N ATOM 318 CA LYS A 21 -0.405 -9.861 1.400 1.00 0.00 C ATOM 319 C LYS A 21 0.264 -11.109 1.968 1.00 0.00 C ATOM 320 O LYS A 21 0.628 -11.155 3.143 1.00 0.00 O ATOM 321 CB LYS A 21 -1.918 -10.077 1.305 1.00 0.00 C ATOM 322 CG LYS A 21 -2.674 -9.669 2.558 1.00 0.00 C ATOM 323 CD LYS A 21 -3.033 -10.876 3.410 1.00 0.00 C ATOM 324 CE LYS A 21 -4.199 -11.650 2.818 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.511 -11.055 3.196 1.00 0.00 N ATOM 0 H LYS A 21 -0.540 -9.569 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.209 -9.022 2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.304 -9.510 0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.113 -11.130 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.066 -8.978 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.583 -9.136 2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.167 -11.532 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.287 -10.548 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.108 -11.668 1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.158 -12.685 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.280 -11.612 2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.609 -11.061 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.561 -10.076 2.849 1.00 0.00 H new ATOM 339 N ARG A 22 0.433 -12.115 1.115 1.00 0.00 N ATOM 340 CA ARG A 22 1.068 -13.365 1.515 1.00 0.00 C ATOM 341 C ARG A 22 2.556 -13.155 1.775 1.00 0.00 C ATOM 342 O ARG A 22 3.164 -13.869 2.572 1.00 0.00 O ATOM 343 CB ARG A 22 0.873 -14.427 0.430 1.00 0.00 C ATOM 344 CG ARG A 22 0.715 -15.838 0.976 1.00 0.00 C ATOM 345 CD ARG A 22 1.437 -16.857 0.107 1.00 0.00 C ATOM 346 NE ARG A 22 0.621 -18.044 -0.138 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.345 -18.105 -1.052 1.00 0.00 C ATOM 348 NH1 ARG A 22 -0.622 -17.048 -1.807 1.00 0.00 N ATOM 349 NH2 ARG A 22 -1.036 -19.225 -1.213 1.00 0.00 N ATOM 0 H ARG A 22 0.138 -12.088 0.139 1.00 0.00 H new ATOM 0 HA ARG A 22 0.599 -13.707 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.009 -14.174 -0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.727 -14.403 -0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.107 -15.882 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.344 -16.091 1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.704 -16.398 -0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.368 -17.151 0.591 1.00 0.00 H new ATOM 0 HE ARG A 22 0.802 -18.875 0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.093 -16.184 -1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.363 -17.101 -2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.828 -20.040 -0.636 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.776 -19.271 -1.913 1.00 0.00 H new ATOM 363 N LEU A 23 3.132 -12.164 1.100 1.00 0.00 N ATOM 364 CA LEU A 23 4.547 -11.845 1.254 1.00 0.00 C ATOM 365 C LEU A 23 4.866 -11.533 2.711 1.00 0.00 C ATOM 366 O LEU A 23 5.719 -12.175 3.325 1.00 0.00 O ATOM 367 CB LEU A 23 4.902 -10.643 0.372 1.00 0.00 C ATOM 368 CG LEU A 23 6.386 -10.479 0.029 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.627 -9.126 -0.619 1.00 0.00 C ATOM 370 CD2 LEU A 23 7.254 -10.631 1.266 1.00 0.00 C ATOM 0 H LEU A 23 2.637 -11.566 0.438 1.00 0.00 H new ATOM 0 HA LEU A 23 5.139 -12.707 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.341 -10.722 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.563 -9.737 0.873 1.00 0.00 H new ATOM 0 HG LEU A 23 6.660 -11.265 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.685 -9.021 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.039 -9.051 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.330 -8.335 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.302 -10.510 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.980 -9.872 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.104 -11.621 1.697 1.00 0.00 H new ATOM 382 N LEU A 24 4.167 -10.548 3.258 1.00 0.00 N ATOM 383 CA LEU A 24 4.367 -10.149 4.645 1.00 0.00 C ATOM 384 C LEU A 24 4.075 -11.311 5.586 1.00 0.00 C ATOM 385 O LEU A 24 4.791 -11.523 6.564 1.00 0.00 O ATOM 386 CB LEU A 24 3.476 -8.952 4.986 1.00 0.00 C ATOM 387 CG LEU A 24 3.562 -7.784 4.001 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.836 -6.564 4.550 1.00 0.00 C ATOM 389 CD2 LEU A 24 5.015 -7.446 3.698 1.00 0.00 C ATOM 0 H LEU A 24 3.456 -10.010 2.763 1.00 0.00 H new ATOM 0 HA LEU A 24 5.410 -9.858 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.441 -9.291 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.742 -8.591 5.979 1.00 0.00 H new ATOM 0 HG LEU A 24 3.076 -8.084 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.909 -5.745 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.787 -6.809 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.292 -6.264 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.056 -6.613 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.524 -7.168 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.507 -8.314 3.260 1.00 0.00 H new ATOM 401 N THR A 25 3.029 -12.070 5.275 1.00 0.00 N ATOM 402 CA THR A 25 2.657 -13.220 6.090 1.00 0.00 C ATOM 403 C THR A 25 3.800 -14.231 6.123 1.00 0.00 C ATOM 404 O THR A 25 3.995 -14.936 7.114 1.00 0.00 O ATOM 405 CB THR A 25 1.391 -13.878 5.537 1.00 0.00 C ATOM 406 OG1 THR A 25 0.378 -12.911 5.323 1.00 0.00 O ATOM 407 CG2 THR A 25 0.824 -14.944 6.447 1.00 0.00 C ATOM 0 H THR A 25 2.426 -11.910 4.468 1.00 0.00 H new ATOM 0 HA THR A 25 2.457 -12.877 7.105 1.00 0.00 H new ATOM 0 HB THR A 25 1.694 -14.348 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.558 -12.427 4.490 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.072 -15.369 5.995 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.565 -15.730 6.593 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.570 -14.502 7.410 1.00 0.00 H new ATOM 415 N VAL A 26 4.556 -14.285 5.031 1.00 0.00 N ATOM 416 CA VAL A 26 5.689 -15.194 4.919 1.00 0.00 C ATOM 417 C VAL A 26 6.863 -14.709 5.767 1.00 0.00 C ATOM 418 O VAL A 26 7.688 -15.505 6.217 1.00 0.00 O ATOM 419 CB VAL A 26 6.141 -15.335 3.450 1.00 0.00 C ATOM 420 CG1 VAL A 26 7.371 -16.224 3.336 1.00 0.00 C ATOM 421 CG2 VAL A 26 5.006 -15.877 2.592 1.00 0.00 C ATOM 0 H VAL A 26 4.402 -13.705 4.206 1.00 0.00 H new ATOM 0 HA VAL A 26 5.364 -16.168 5.285 1.00 0.00 H new ATOM 0 HB VAL A 26 6.410 -14.344 3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.666 -16.305 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.189 -15.789 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.141 -17.216 3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.343 -15.970 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.704 -16.856 2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.158 -15.194 2.637 1.00 0.00 H new ATOM 431 N LYS A 27 6.934 -13.397 5.976 1.00 0.00 N ATOM 432 CA LYS A 27 8.008 -12.806 6.767 1.00 0.00 C ATOM 433 C LYS A 27 7.702 -12.880 8.263 1.00 0.00 C ATOM 434 O LYS A 27 8.599 -12.738 9.094 1.00 0.00 O ATOM 435 CB LYS A 27 8.233 -11.351 6.348 1.00 0.00 C ATOM 436 CG LYS A 27 9.399 -11.168 5.386 1.00 0.00 C ATOM 437 CD LYS A 27 8.923 -10.979 3.955 1.00 0.00 C ATOM 438 CE LYS A 27 9.693 -11.868 2.991 1.00 0.00 C ATOM 439 NZ LYS A 27 9.397 -13.310 3.208 1.00 0.00 N ATOM 0 H LYS A 27 6.261 -12.724 5.609 1.00 0.00 H new ATOM 0 HA LYS A 27 8.917 -13.378 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.324 -10.971 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.409 -10.748 7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.990 -10.304 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.055 -12.037 5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.859 -11.207 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.044 -9.935 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.441 -11.596 1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.762 -11.695 3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.652 -13.849 2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.949 -13.660 4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.383 -13.431 3.404 1.00 0.00 H new ATOM 453 N LYS A 28 6.432 -13.103 8.602 1.00 0.00 N ATOM 454 CA LYS A 28 6.010 -13.195 10.000 1.00 0.00 C ATOM 455 C LYS A 28 5.988 -11.817 10.658 1.00 0.00 C ATOM 456 O LYS A 28 6.626 -11.597 11.689 1.00 0.00 O ATOM 457 CB LYS A 28 6.936 -14.133 10.783 1.00 0.00 C ATOM 458 CG LYS A 28 6.221 -14.933 11.859 1.00 0.00 C ATOM 459 CD LYS A 28 5.392 -16.058 11.258 1.00 0.00 C ATOM 460 CE LYS A 28 6.267 -17.217 10.809 1.00 0.00 C ATOM 461 NZ LYS A 28 5.524 -18.170 9.940 1.00 0.00 N ATOM 0 H LYS A 28 5.677 -13.223 7.927 1.00 0.00 H new ATOM 0 HA LYS A 28 4.999 -13.602 10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.415 -14.822 10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.729 -13.545 11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.953 -15.349 12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.575 -14.272 12.437 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.668 -16.411 11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.824 -15.679 10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.131 -16.831 10.268 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.648 -17.744 11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.156 -18.945 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.714 -18.558 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.182 -17.673 9.093 1.00 0.00 H new ATOM 475 N GLN A 29 5.247 -10.894 10.056 1.00 0.00 N ATOM 476 CA GLN A 29 5.139 -9.539 10.582 1.00 0.00 C ATOM 477 C GLN A 29 3.695 -9.047 10.518 1.00 0.00 C ATOM 478 O GLN A 29 2.962 -9.374 9.586 1.00 0.00 O ATOM 479 CB GLN A 29 6.048 -8.595 9.792 1.00 0.00 C ATOM 480 CG GLN A 29 7.489 -8.589 10.277 1.00 0.00 C ATOM 481 CD GLN A 29 7.757 -7.500 11.297 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.179 -7.495 12.383 1.00 0.00 O ATOM 483 NE2 GLN A 29 8.638 -6.569 10.951 1.00 0.00 N ATOM 0 H GLN A 29 4.712 -11.059 9.203 1.00 0.00 H new ATOM 0 HA GLN A 29 5.454 -9.550 11.625 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.029 -8.881 8.740 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.648 -7.583 9.854 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.725 -9.559 10.716 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.155 -8.455 9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.094 -6.612 10.040 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.859 -5.811 11.597 1.00 0.00 H new ATOM 492 N PRO A 30 3.266 -8.243 11.509 1.00 0.00 N ATOM 493 CA PRO A 30 1.906 -7.702 11.548 1.00 0.00 C ATOM 494 C PRO A 30 1.739 -6.539 10.584 1.00 0.00 C ATOM 495 O PRO A 30 2.626 -5.694 10.464 1.00 0.00 O ATOM 496 CB PRO A 30 1.776 -7.216 12.988 1.00 0.00 C ATOM 497 CG PRO A 30 3.157 -6.799 13.347 1.00 0.00 C ATOM 498 CD PRO A 30 4.069 -7.786 12.662 1.00 0.00 C ATOM 0 HA PRO A 30 1.153 -8.435 11.258 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.074 -6.386 13.068 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.413 -8.006 13.646 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.359 -5.781 13.013 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.303 -6.814 14.427 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.001 -7.319 12.344 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.335 -8.613 13.321 1.00 0.00 H new ATOM 506 N PHE A 31 0.606 -6.489 9.898 1.00 0.00 N ATOM 507 CA PHE A 31 0.356 -5.415 8.949 1.00 0.00 C ATOM 508 C PHE A 31 -1.134 -5.141 8.769 1.00 0.00 C ATOM 509 O PHE A 31 -1.979 -5.903 9.239 1.00 0.00 O ATOM 510 CB PHE A 31 0.994 -5.739 7.616 1.00 0.00 C ATOM 511 CG PHE A 31 0.260 -6.797 6.863 1.00 0.00 C ATOM 512 CD1 PHE A 31 -0.889 -6.486 6.168 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.706 -8.103 6.874 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.584 -7.460 5.489 1.00 0.00 C ATOM 515 CE2 PHE A 31 0.017 -9.087 6.200 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.133 -8.767 5.503 1.00 0.00 C ATOM 0 H PHE A 31 -0.147 -7.172 9.979 1.00 0.00 H new ATOM 0 HA PHE A 31 0.805 -4.509 9.356 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.038 -4.834 7.011 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.022 -6.063 7.780 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.247 -5.467 6.156 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.605 -8.356 7.417 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.481 -7.204 4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.374 -10.106 6.216 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.677 -9.534 4.972 1.00 0.00 H new ATOM 526 N GLU A 32 -1.444 -4.049 8.072 1.00 0.00 N ATOM 527 CA GLU A 32 -2.831 -3.673 7.817 1.00 0.00 C ATOM 528 C GLU A 32 -2.983 -3.056 6.433 1.00 0.00 C ATOM 529 O GLU A 32 -2.082 -2.376 5.941 1.00 0.00 O ATOM 530 CB GLU A 32 -3.323 -2.686 8.876 1.00 0.00 C ATOM 531 CG GLU A 32 -4.835 -2.526 8.901 1.00 0.00 C ATOM 532 CD GLU A 32 -5.512 -3.525 9.819 1.00 0.00 C ATOM 533 OE1 GLU A 32 -5.316 -3.429 11.048 1.00 0.00 O ATOM 534 OE2 GLU A 32 -6.238 -4.403 9.308 1.00 0.00 O ATOM 0 H GLU A 32 -0.754 -3.411 7.675 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.435 -4.579 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.985 -3.020 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.866 -1.713 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.084 -1.515 9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.226 -2.644 7.890 1.00 0.00 H new ATOM 541 N PHE A 33 -4.130 -3.298 5.811 1.00 0.00 N ATOM 542 CA PHE A 33 -4.412 -2.773 4.488 1.00 0.00 C ATOM 543 C PHE A 33 -5.065 -1.397 4.573 1.00 0.00 C ATOM 544 O PHE A 33 -5.678 -1.051 5.582 1.00 0.00 O ATOM 545 CB PHE A 33 -5.330 -3.733 3.735 1.00 0.00 C ATOM 546 CG PHE A 33 -5.251 -3.577 2.250 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.086 -3.890 1.581 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.335 -3.110 1.529 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.996 -3.739 0.211 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.256 -2.956 0.158 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.083 -3.271 -0.501 1.00 0.00 C ATOM 0 H PHE A 33 -4.883 -3.859 6.208 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.468 -2.673 3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.071 -4.758 4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.359 -3.571 4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.235 -4.257 2.135 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.252 -2.863 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.078 -3.986 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.108 -2.591 -0.396 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.016 -3.151 -1.572 1.00 0.00 H new ATOM 561 N ILE A 34 -4.935 -0.623 3.502 1.00 0.00 N ATOM 562 CA ILE A 34 -5.519 0.710 3.441 1.00 0.00 C ATOM 563 C ILE A 34 -6.030 1.000 2.041 1.00 0.00 C ATOM 564 O ILE A 34 -5.270 1.008 1.073 1.00 0.00 O ATOM 565 CB ILE A 34 -4.521 1.807 3.847 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.716 1.368 5.069 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.255 3.109 4.131 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.507 2.231 5.338 1.00 0.00 C ATOM 0 H ILE A 34 -4.428 -0.898 2.661 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.344 0.722 4.153 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.830 1.973 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.364 1.382 5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.392 0.337 4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.536 3.877 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.790 3.428 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.966 2.956 4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.984 1.860 6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.838 2.198 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.825 3.259 5.510 1.00 0.00 H new ATOM 580 N ASN A 35 -7.326 1.227 1.949 1.00 0.00 N ATOM 581 CA ASN A 35 -7.970 1.510 0.675 1.00 0.00 C ATOM 582 C ASN A 35 -8.085 3.008 0.440 1.00 0.00 C ATOM 583 O ASN A 35 -8.569 3.748 1.297 1.00 0.00 O ATOM 584 CB ASN A 35 -9.359 0.869 0.627 1.00 0.00 C ATOM 585 CG ASN A 35 -9.358 -0.556 1.143 1.00 0.00 C ATOM 586 OD1 ASN A 35 -8.451 -1.335 0.852 1.00 0.00 O ATOM 587 ND2 ASN A 35 -10.380 -0.905 1.917 1.00 0.00 N ATOM 0 H ASN A 35 -7.961 1.221 2.747 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.351 1.084 -0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.052 1.466 1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.726 0.880 -0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.434 -1.851 2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.111 -0.227 2.133 1.00 0.00 H new ATOM 594 N ILE A 36 -7.645 3.447 -0.733 1.00 0.00 N ATOM 595 CA ILE A 36 -7.711 4.855 -1.090 1.00 0.00 C ATOM 596 C ILE A 36 -9.061 5.191 -1.713 1.00 0.00 C ATOM 597 O ILE A 36 -9.452 6.358 -1.779 1.00 0.00 O ATOM 598 CB ILE A 36 -6.589 5.241 -2.073 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.608 4.317 -3.292 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.237 5.185 -1.379 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.873 4.880 -4.489 1.00 0.00 C ATOM 0 H ILE A 36 -7.239 2.847 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.582 5.426 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.759 6.262 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.163 3.360 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.643 4.119 -3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.454 5.460 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.230 5.881 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.057 4.174 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.928 4.172 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.332 5.822 -4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.829 5.052 -4.227 1.00 0.00 H new ATOM 613 N MET A 37 -9.773 4.162 -2.165 1.00 0.00 N ATOM 614 CA MET A 37 -11.078 4.351 -2.778 1.00 0.00 C ATOM 615 C MET A 37 -12.149 3.549 -2.036 1.00 0.00 C ATOM 616 O MET A 37 -12.375 2.376 -2.332 1.00 0.00 O ATOM 617 CB MET A 37 -11.039 3.941 -4.253 1.00 0.00 C ATOM 618 CG MET A 37 -12.396 3.995 -4.935 1.00 0.00 C ATOM 619 SD MET A 37 -12.331 4.768 -6.562 1.00 0.00 S ATOM 620 CE MET A 37 -10.990 3.851 -7.314 1.00 0.00 C ATOM 0 H MET A 37 -9.466 3.191 -2.117 1.00 0.00 H new ATOM 0 HA MET A 37 -11.334 5.409 -2.713 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.348 4.595 -4.785 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.643 2.928 -4.330 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.788 2.983 -5.034 1.00 0.00 H new ATOM 0 HG3 MET A 37 -13.093 4.546 -4.304 1.00 0.00 H new ATOM 0 HE1 MET A 37 -11.090 3.884 -8.399 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.038 4.295 -7.023 1.00 0.00 H new ATOM 0 HE3 MET A 37 -11.025 2.815 -6.978 1.00 0.00 H new ATOM 630 N PRO A 38 -12.820 4.177 -1.053 1.00 0.00 N ATOM 631 CA PRO A 38 -13.867 3.520 -0.264 1.00 0.00 C ATOM 632 C PRO A 38 -15.153 3.299 -1.058 1.00 0.00 C ATOM 633 O PRO A 38 -16.019 2.524 -0.650 1.00 0.00 O ATOM 634 CB PRO A 38 -14.111 4.501 0.883 1.00 0.00 C ATOM 635 CG PRO A 38 -13.736 5.831 0.327 1.00 0.00 C ATOM 636 CD PRO A 38 -12.605 5.575 -0.632 1.00 0.00 C ATOM 0 HA PRO A 38 -13.564 2.524 0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.153 4.485 1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.506 4.251 1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.582 6.294 -0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.429 6.513 1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.635 6.259 -1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.635 5.705 -0.152 1.00 0.00 H new ATOM 644 N GLU A 39 -15.277 3.984 -2.192 1.00 0.00 N ATOM 645 CA GLU A 39 -16.461 3.855 -3.034 1.00 0.00 C ATOM 646 C GLU A 39 -16.078 3.831 -4.508 1.00 0.00 C ATOM 647 O GLU A 39 -15.161 4.533 -4.933 1.00 0.00 O ATOM 648 CB GLU A 39 -17.435 5.003 -2.765 1.00 0.00 C ATOM 649 CG GLU A 39 -16.793 6.377 -2.846 1.00 0.00 C ATOM 650 CD GLU A 39 -17.788 7.467 -3.194 1.00 0.00 C ATOM 651 OE1 GLU A 39 -18.183 7.555 -4.376 1.00 0.00 O ATOM 652 OE2 GLU A 39 -18.173 8.233 -2.284 1.00 0.00 O ATOM 0 H GLU A 39 -14.574 4.632 -2.547 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.949 2.912 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.253 4.950 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.872 4.873 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.323 6.611 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.001 6.360 -3.595 1.00 0.00 H new ATOM 659 N LYS A 40 -16.788 3.021 -5.289 1.00 0.00 N ATOM 660 CA LYS A 40 -16.517 2.908 -6.720 1.00 0.00 C ATOM 661 C LYS A 40 -16.811 4.206 -7.456 1.00 0.00 C ATOM 662 O LYS A 40 -16.488 4.360 -8.633 1.00 0.00 O ATOM 663 CB LYS A 40 -17.312 1.753 -7.335 1.00 0.00 C ATOM 664 CG LYS A 40 -17.352 0.509 -6.461 1.00 0.00 C ATOM 665 CD LYS A 40 -17.730 -0.725 -7.265 1.00 0.00 C ATOM 666 CE LYS A 40 -19.198 -1.079 -7.086 1.00 0.00 C ATOM 667 NZ LYS A 40 -20.087 -0.176 -7.869 1.00 0.00 N ATOM 0 H LYS A 40 -17.553 2.435 -4.957 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.453 2.699 -6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.332 2.086 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.875 1.495 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.377 0.358 -5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.070 0.653 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.523 -0.550 -8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.111 -1.567 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.363 -2.110 -7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.460 -1.019 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.064 -0.531 -7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.050 0.782 -7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.769 -0.148 -8.859 1.00 0.00 H new ATOM 681 N GLY A 41 -17.412 5.131 -6.743 1.00 0.00 N ATOM 682 CA GLY A 41 -17.747 6.424 -7.311 1.00 0.00 C ATOM 683 C GLY A 41 -16.564 7.372 -7.307 1.00 0.00 C ATOM 684 O GLY A 41 -16.116 7.825 -8.360 1.00 0.00 O ATOM 0 H GLY A 41 -17.681 5.015 -5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.100 6.290 -8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.567 6.866 -6.746 1.00 0.00 H new ATOM 688 N VAL A 42 -16.052 7.661 -6.116 1.00 0.00 N ATOM 689 CA VAL A 42 -14.910 8.555 -5.971 1.00 0.00 C ATOM 690 C VAL A 42 -14.084 8.184 -4.748 1.00 0.00 C ATOM 691 O VAL A 42 -14.615 8.051 -3.646 1.00 0.00 O ATOM 692 CB VAL A 42 -15.351 10.025 -5.851 1.00 0.00 C ATOM 693 CG1 VAL A 42 -14.161 10.956 -6.018 1.00 0.00 C ATOM 694 CG2 VAL A 42 -16.433 10.345 -6.872 1.00 0.00 C ATOM 0 H VAL A 42 -16.410 7.289 -5.237 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.304 8.443 -6.870 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.766 10.178 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.493 11.990 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.423 10.745 -5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.713 10.801 -6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.731 11.389 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.047 10.173 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.297 9.703 -6.700 1.00 0.00 H new ATOM 704 N PHE A 43 -12.783 8.010 -4.947 1.00 0.00 N ATOM 705 CA PHE A 43 -11.894 7.643 -3.847 1.00 0.00 C ATOM 706 C PHE A 43 -11.919 8.687 -2.739 1.00 0.00 C ATOM 707 O PHE A 43 -12.490 9.766 -2.899 1.00 0.00 O ATOM 708 CB PHE A 43 -10.453 7.428 -4.324 1.00 0.00 C ATOM 709 CG PHE A 43 -10.065 8.236 -5.527 1.00 0.00 C ATOM 710 CD1 PHE A 43 -10.425 9.568 -5.631 1.00 0.00 C ATOM 711 CD2 PHE A 43 -9.336 7.657 -6.551 1.00 0.00 C ATOM 712 CE1 PHE A 43 -10.064 10.312 -6.737 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.972 8.394 -7.662 1.00 0.00 C ATOM 714 CZ PHE A 43 -9.337 9.724 -7.755 1.00 0.00 C ATOM 0 H PHE A 43 -12.321 8.115 -5.850 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.267 6.699 -3.449 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.774 7.670 -3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.314 6.371 -4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.994 10.031 -4.839 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.049 6.618 -6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.349 11.351 -6.806 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.404 7.932 -8.456 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.055 10.303 -8.622 1.00 0.00 H new ATOM 724 N ASP A 44 -11.299 8.351 -1.612 1.00 0.00 N ATOM 725 CA ASP A 44 -11.250 9.250 -0.464 1.00 0.00 C ATOM 726 C ASP A 44 -10.035 10.171 -0.538 1.00 0.00 C ATOM 727 O ASP A 44 -8.934 9.791 -0.140 1.00 0.00 O ATOM 728 CB ASP A 44 -11.213 8.443 0.835 1.00 0.00 C ATOM 729 CG ASP A 44 -11.963 9.128 1.961 1.00 0.00 C ATOM 730 OD1 ASP A 44 -11.435 10.116 2.510 1.00 0.00 O ATOM 731 OD2 ASP A 44 -13.079 8.677 2.292 1.00 0.00 O ATOM 0 H ASP A 44 -10.822 7.461 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.148 9.867 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.645 7.458 0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.176 8.288 1.134 1.00 0.00 H new ATOM 736 N ASP A 45 -10.243 11.382 -1.046 1.00 0.00 N ATOM 737 CA ASP A 45 -9.164 12.359 -1.172 1.00 0.00 C ATOM 738 C ASP A 45 -8.455 12.575 0.164 1.00 0.00 C ATOM 739 O ASP A 45 -7.267 12.898 0.198 1.00 0.00 O ATOM 740 CB ASP A 45 -9.714 13.690 -1.689 1.00 0.00 C ATOM 741 CG ASP A 45 -8.627 14.587 -2.249 1.00 0.00 C ATOM 742 OD1 ASP A 45 -8.268 14.415 -3.432 1.00 0.00 O ATOM 743 OD2 ASP A 45 -8.135 15.461 -1.504 1.00 0.00 O ATOM 0 H ASP A 45 -11.150 11.711 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.439 11.967 -1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.456 13.497 -2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.226 14.208 -0.878 1.00 0.00 H new ATOM 748 N GLU A 46 -9.186 12.390 1.262 1.00 0.00 N ATOM 749 CA GLU A 46 -8.618 12.564 2.597 1.00 0.00 C ATOM 750 C GLU A 46 -7.345 11.742 2.755 1.00 0.00 C ATOM 751 O GLU A 46 -6.340 12.226 3.275 1.00 0.00 O ATOM 752 CB GLU A 46 -9.633 12.159 3.668 1.00 0.00 C ATOM 753 CG GLU A 46 -9.184 12.481 5.083 1.00 0.00 C ATOM 754 CD GLU A 46 -10.348 12.737 6.020 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.450 13.055 5.524 1.00 0.00 O ATOM 756 OE2 GLU A 46 -10.159 12.622 7.249 1.00 0.00 O ATOM 0 H GLU A 46 -10.170 12.120 1.254 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.371 13.618 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.578 12.665 3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.823 11.088 3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.588 11.654 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.538 13.358 5.064 1.00 0.00 H new ATOM 763 N LYS A 47 -7.395 10.497 2.296 1.00 0.00 N ATOM 764 CA LYS A 47 -6.243 9.610 2.374 1.00 0.00 C ATOM 765 C LYS A 47 -5.265 9.917 1.248 1.00 0.00 C ATOM 766 O LYS A 47 -4.054 9.759 1.398 1.00 0.00 O ATOM 767 CB LYS A 47 -6.688 8.147 2.301 1.00 0.00 C ATOM 768 CG LYS A 47 -7.905 7.838 3.157 1.00 0.00 C ATOM 769 CD LYS A 47 -7.608 8.022 4.637 1.00 0.00 C ATOM 770 CE LYS A 47 -7.265 6.699 5.304 1.00 0.00 C ATOM 771 NZ LYS A 47 -5.818 6.373 5.182 1.00 0.00 N ATOM 0 H LYS A 47 -8.221 10.080 1.866 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.744 9.774 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.910 7.895 1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.862 7.509 2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.730 8.489 2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.228 6.813 2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.778 8.718 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.472 8.466 5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.539 6.742 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.856 5.902 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.579 5.603 5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.610 6.075 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.252 7.214 5.415 1.00 0.00 H new ATOM 785 N ILE A 48 -5.804 10.368 0.121 1.00 0.00 N ATOM 786 CA ILE A 48 -4.989 10.712 -1.036 1.00 0.00 C ATOM 787 C ILE A 48 -4.056 11.873 -0.709 1.00 0.00 C ATOM 788 O ILE A 48 -2.880 11.861 -1.070 1.00 0.00 O ATOM 789 CB ILE A 48 -5.874 11.107 -2.237 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.804 9.954 -2.624 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.020 11.528 -3.423 1.00 0.00 C ATOM 792 CD1 ILE A 48 -6.082 8.660 -2.923 1.00 0.00 C ATOM 0 H ILE A 48 -6.806 10.504 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.401 9.831 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.487 11.958 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.513 9.784 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.384 10.246 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.666 11.802 -4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.406 12.384 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.376 10.700 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.808 7.891 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.393 8.811 -3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.524 8.343 -2.042 1.00 0.00 H new ATOM 804 N ALA A 49 -4.597 12.880 -0.031 1.00 0.00 N ATOM 805 CA ALA A 49 -3.823 14.056 0.339 1.00 0.00 C ATOM 806 C ALA A 49 -2.760 13.709 1.375 1.00 0.00 C ATOM 807 O ALA A 49 -1.571 13.958 1.166 1.00 0.00 O ATOM 808 CB ALA A 49 -4.741 15.148 0.866 1.00 0.00 C ATOM 0 H ALA A 49 -5.570 12.904 0.273 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.317 14.423 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.148 16.021 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.459 15.424 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.274 14.783 1.744 1.00 0.00 H new ATOM 814 N GLU A 50 -3.191 13.129 2.493 1.00 0.00 N ATOM 815 CA GLU A 50 -2.267 12.749 3.555 1.00 0.00 C ATOM 816 C GLU A 50 -1.176 11.834 3.008 1.00 0.00 C ATOM 817 O GLU A 50 -0.039 11.855 3.478 1.00 0.00 O ATOM 818 CB GLU A 50 -3.016 12.063 4.704 1.00 0.00 C ATOM 819 CG GLU A 50 -3.415 10.624 4.412 1.00 0.00 C ATOM 820 CD GLU A 50 -4.409 10.079 5.419 1.00 0.00 C ATOM 821 OE1 GLU A 50 -5.406 10.776 5.705 1.00 0.00 O ATOM 822 OE2 GLU A 50 -4.189 8.959 5.925 1.00 0.00 O ATOM 0 H GLU A 50 -4.169 12.913 2.685 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.799 13.654 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.388 12.081 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.913 12.638 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.847 10.566 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.524 9.997 4.411 1.00 0.00 H new ATOM 829 N LEU A 51 -1.527 11.047 1.994 1.00 0.00 N ATOM 830 CA LEU A 51 -0.579 10.137 1.370 1.00 0.00 C ATOM 831 C LEU A 51 0.604 10.916 0.813 1.00 0.00 C ATOM 832 O LEU A 51 1.747 10.693 1.206 1.00 0.00 O ATOM 833 CB LEU A 51 -1.264 9.347 0.252 1.00 0.00 C ATOM 834 CG LEU A 51 -0.333 8.498 -0.616 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.614 7.685 0.252 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.143 7.583 -1.523 1.00 0.00 C ATOM 0 H LEU A 51 -2.463 11.024 1.589 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.216 9.437 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.013 8.693 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.795 10.048 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 51 0.262 9.166 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.268 7.088 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.217 8.358 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.037 7.025 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.467 6.985 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.762 6.923 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.781 8.184 -2.170 1.00 0.00 H new ATOM 848 N LEU A 52 0.311 11.842 -0.099 1.00 0.00 N ATOM 849 CA LEU A 52 1.328 12.678 -0.718 1.00 0.00 C ATOM 850 C LEU A 52 2.311 13.206 0.313 1.00 0.00 C ATOM 851 O LEU A 52 3.524 13.191 0.106 1.00 0.00 O ATOM 852 CB LEU A 52 0.657 13.816 -1.433 1.00 0.00 C ATOM 853 CG LEU A 52 -0.036 13.375 -2.705 1.00 0.00 C ATOM 854 CD1 LEU A 52 -0.795 14.525 -3.280 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.974 12.835 -3.702 1.00 0.00 C ATOM 0 H LEU A 52 -0.637 12.030 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 52 1.893 12.077 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.072 14.279 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.399 14.578 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.736 12.571 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.295 14.210 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.539 14.867 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.106 15.340 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.458 12.523 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.697 13.613 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.493 11.980 -3.268 1.00 0.00 H new ATOM 867 N THR A 53 1.769 13.660 1.435 1.00 0.00 N ATOM 868 CA THR A 53 2.584 14.186 2.522 1.00 0.00 C ATOM 869 C THR A 53 3.373 13.065 3.192 1.00 0.00 C ATOM 870 O THR A 53 4.477 13.279 3.690 1.00 0.00 O ATOM 871 CB THR A 53 1.702 14.894 3.553 1.00 0.00 C ATOM 872 OG1 THR A 53 0.929 15.909 2.938 1.00 0.00 O ATOM 873 CG2 THR A 53 2.490 15.533 4.676 1.00 0.00 C ATOM 0 H THR A 53 0.765 13.675 1.617 1.00 0.00 H new ATOM 0 HA THR A 53 3.288 14.906 2.105 1.00 0.00 H new ATOM 0 HB THR A 53 1.067 14.115 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.371 16.349 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.805 16.017 5.372 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.060 14.767 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.174 16.275 4.264 1.00 0.00 H new ATOM 881 N LYS A 54 2.795 11.866 3.192 1.00 0.00 N ATOM 882 CA LYS A 54 3.439 10.704 3.792 1.00 0.00 C ATOM 883 C LYS A 54 4.710 10.334 3.033 1.00 0.00 C ATOM 884 O LYS A 54 5.726 9.987 3.635 1.00 0.00 O ATOM 885 CB LYS A 54 2.476 9.512 3.813 1.00 0.00 C ATOM 886 CG LYS A 54 2.568 8.679 5.081 1.00 0.00 C ATOM 887 CD LYS A 54 1.361 7.771 5.240 1.00 0.00 C ATOM 888 CE LYS A 54 1.252 7.232 6.657 1.00 0.00 C ATOM 889 NZ LYS A 54 0.394 8.094 7.515 1.00 0.00 N ATOM 0 H LYS A 54 1.881 11.675 2.782 1.00 0.00 H new ATOM 0 HA LYS A 54 3.710 10.959 4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.455 9.878 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.681 8.874 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.477 8.077 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.645 9.338 5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.455 8.322 4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.434 6.940 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.841 6.223 6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.247 7.160 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.346 7.692 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.799 9.051 7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.563 8.143 7.111 1.00 0.00 H new ATOM 903 N LEU A 55 4.646 10.409 1.706 1.00 0.00 N ATOM 904 CA LEU A 55 5.791 10.083 0.865 1.00 0.00 C ATOM 905 C LEU A 55 6.980 10.980 1.191 1.00 0.00 C ATOM 906 O LEU A 55 8.062 10.500 1.525 1.00 0.00 O ATOM 907 CB LEU A 55 5.423 10.226 -0.607 1.00 0.00 C ATOM 908 CG LEU A 55 4.313 9.288 -1.066 1.00 0.00 C ATOM 909 CD1 LEU A 55 2.977 9.995 -1.026 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.597 8.761 -2.458 1.00 0.00 C ATOM 0 H LEU A 55 3.812 10.693 1.191 1.00 0.00 H new ATOM 0 HA LEU A 55 6.073 9.049 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.115 11.255 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.311 10.043 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 55 4.276 8.439 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.194 9.312 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.768 10.321 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.004 10.862 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.792 8.094 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.664 9.595 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.540 8.215 -2.455 1.00 0.00 H new ATOM 922 N GLY A 56 6.765 12.288 1.093 1.00 0.00 N ATOM 923 CA GLY A 56 7.819 13.242 1.378 1.00 0.00 C ATOM 924 C GLY A 56 7.340 14.676 1.260 1.00 0.00 C ATOM 925 O GLY A 56 6.545 15.140 2.076 1.00 0.00 O ATOM 0 H GLY A 56 5.875 12.705 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.200 13.070 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.649 13.080 0.690 1.00 0.00 H new ATOM 929 N ARG A 57 7.820 15.376 0.238 1.00 0.00 N ATOM 930 CA ARG A 57 7.430 16.763 0.010 1.00 0.00 C ATOM 931 C ARG A 57 7.477 17.100 -1.473 1.00 0.00 C ATOM 932 O ARG A 57 7.749 18.237 -1.857 1.00 0.00 O ATOM 933 CB ARG A 57 8.335 17.713 0.795 1.00 0.00 C ATOM 934 CG ARG A 57 7.673 19.036 1.143 1.00 0.00 C ATOM 935 CD ARG A 57 8.120 19.543 2.506 1.00 0.00 C ATOM 936 NE ARG A 57 7.006 20.092 3.276 1.00 0.00 N ATOM 937 CZ ARG A 57 6.004 19.359 3.755 1.00 0.00 C ATOM 938 NH1 ARG A 57 5.970 18.050 3.544 1.00 0.00 N ATOM 939 NH2 ARG A 57 5.031 19.938 4.447 1.00 0.00 N ATOM 0 H ARG A 57 8.480 15.006 -0.446 1.00 0.00 H new ATOM 0 HA ARG A 57 6.406 16.887 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.652 17.222 1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.235 17.909 0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.915 19.777 0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.590 18.915 1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.580 18.727 3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.884 20.310 2.375 1.00 0.00 H new ATOM 0 HE ARG A 57 6.996 21.096 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.715 17.600 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.199 17.494 3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.051 20.944 4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.263 19.377 4.814 1.00 0.00 H new ATOM 953 N ASP A 58 7.206 16.099 -2.301 1.00 0.00 N ATOM 954 CA ASP A 58 7.210 16.271 -3.747 1.00 0.00 C ATOM 955 C ASP A 58 5.839 15.918 -4.327 1.00 0.00 C ATOM 956 O ASP A 58 4.813 16.104 -3.671 1.00 0.00 O ATOM 957 CB ASP A 58 8.306 15.400 -4.373 1.00 0.00 C ATOM 958 CG ASP A 58 9.611 15.466 -3.603 1.00 0.00 C ATOM 959 OD1 ASP A 58 10.145 16.582 -3.433 1.00 0.00 O ATOM 960 OD2 ASP A 58 10.101 14.401 -3.171 1.00 0.00 O ATOM 0 H ASP A 58 6.979 15.154 -1.992 1.00 0.00 H new ATOM 0 HA ASP A 58 7.420 17.315 -3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.964 14.366 -4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.478 15.720 -5.401 1.00 0.00 H new ATOM 965 N THR A 59 5.825 15.406 -5.552 1.00 0.00 N ATOM 966 CA THR A 59 4.582 15.023 -6.211 1.00 0.00 C ATOM 967 C THR A 59 4.595 13.539 -6.562 1.00 0.00 C ATOM 968 O THR A 59 5.626 12.877 -6.462 1.00 0.00 O ATOM 969 CB THR A 59 4.369 15.858 -7.475 1.00 0.00 C ATOM 970 OG1 THR A 59 3.189 15.456 -8.147 1.00 0.00 O ATOM 971 CG2 THR A 59 5.514 15.757 -8.460 1.00 0.00 C ATOM 0 H THR A 59 6.663 15.246 -6.111 1.00 0.00 H new ATOM 0 HA THR A 59 3.759 15.211 -5.522 1.00 0.00 H new ATOM 0 HB THR A 59 4.297 16.890 -7.131 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.069 16.002 -8.952 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.298 16.373 -9.333 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.432 16.106 -7.988 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.637 14.719 -8.770 1.00 0.00 H new ATOM 979 N GLN A 60 3.444 13.023 -6.984 1.00 0.00 N ATOM 980 CA GLN A 60 3.329 11.621 -7.356 1.00 0.00 C ATOM 981 C GLN A 60 3.584 11.444 -8.846 1.00 0.00 C ATOM 982 O GLN A 60 2.700 11.660 -9.674 1.00 0.00 O ATOM 983 CB GLN A 60 1.948 11.078 -6.997 1.00 0.00 C ATOM 984 CG GLN A 60 0.806 11.788 -7.705 1.00 0.00 C ATOM 985 CD GLN A 60 -0.425 11.926 -6.831 1.00 0.00 C ATOM 986 OE1 GLN A 60 -0.820 13.032 -6.465 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.039 10.798 -6.490 1.00 0.00 N ATOM 0 H GLN A 60 2.580 13.557 -7.076 1.00 0.00 H new ATOM 0 HA GLN A 60 4.080 11.060 -6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.911 10.016 -7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.804 11.162 -5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.137 12.778 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.546 11.238 -8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.677 9.902 -6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.872 10.828 -5.902 1.00 0.00 H new ATOM 996 N ILE A 61 4.802 11.047 -9.169 1.00 0.00 N ATOM 997 CA ILE A 61 5.204 10.835 -10.555 1.00 0.00 C ATOM 998 C ILE A 61 4.713 9.489 -11.073 1.00 0.00 C ATOM 999 O ILE A 61 5.440 8.497 -11.040 1.00 0.00 O ATOM 1000 CB ILE A 61 6.736 10.904 -10.714 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.287 12.153 -10.021 1.00 0.00 C ATOM 1002 CG2 ILE A 61 7.116 10.895 -12.186 1.00 0.00 C ATOM 1003 CD1 ILE A 61 7.864 11.878 -8.650 1.00 0.00 C ATOM 0 H ILE A 61 5.538 10.863 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 61 4.748 11.634 -11.139 1.00 0.00 H new ATOM 0 HB ILE A 61 7.176 10.026 -10.241 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.060 12.596 -10.649 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.489 12.890 -9.929 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.201 10.944 -12.282 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.752 9.979 -12.650 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.668 11.756 -12.683 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.235 12.807 -8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.089 11.463 -8.006 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.684 11.165 -8.737 1.00 0.00 H new ATOM 1015 N GLY A 62 3.474 9.464 -11.551 1.00 0.00 N ATOM 1016 CA GLY A 62 2.905 8.235 -12.070 1.00 0.00 C ATOM 1017 C GLY A 62 2.959 7.101 -11.066 1.00 0.00 C ATOM 1018 O GLY A 62 3.013 5.931 -11.443 1.00 0.00 O ATOM 0 H GLY A 62 2.854 10.273 -11.588 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.869 8.412 -12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.442 7.943 -12.973 1.00 0.00 H new ATOM 1022 N LEU A 63 2.954 7.451 -9.783 1.00 0.00 N ATOM 1023 CA LEU A 63 3.005 6.453 -8.718 1.00 0.00 C ATOM 1024 C LEU A 63 1.914 5.402 -8.901 1.00 0.00 C ATOM 1025 O LEU A 63 0.839 5.693 -9.424 1.00 0.00 O ATOM 1026 CB LEU A 63 2.867 7.127 -7.350 1.00 0.00 C ATOM 1027 CG LEU A 63 4.162 7.216 -6.541 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.572 5.841 -6.039 1.00 0.00 C ATOM 1029 CD2 LEU A 63 5.272 7.831 -7.381 1.00 0.00 C ATOM 0 H LEU A 63 2.915 8.416 -9.455 1.00 0.00 H new ATOM 0 HA LEU A 63 3.972 5.953 -8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.477 8.134 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.127 6.580 -6.765 1.00 0.00 H new ATOM 0 HG LEU A 63 3.987 7.858 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.495 5.923 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.785 5.436 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.730 5.176 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.187 7.887 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.446 7.213 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.979 8.834 -7.693 1.00 0.00 H new ATOM 1041 N THR A 64 2.203 4.178 -8.471 1.00 0.00 N ATOM 1042 CA THR A 64 1.249 3.084 -8.598 1.00 0.00 C ATOM 1043 C THR A 64 0.913 2.474 -7.241 1.00 0.00 C ATOM 1044 O THR A 64 1.553 2.774 -6.231 1.00 0.00 O ATOM 1045 CB THR A 64 1.803 2.004 -9.528 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.141 1.685 -9.186 1.00 0.00 O ATOM 1047 CG2 THR A 64 1.785 2.405 -10.987 1.00 0.00 C ATOM 0 H THR A 64 3.087 3.920 -8.033 1.00 0.00 H new ATOM 0 HA THR A 64 0.332 3.493 -9.022 1.00 0.00 H new ATOM 0 HB THR A 64 1.146 1.144 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.477 0.991 -9.791 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.191 1.594 -11.592 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.760 2.610 -11.295 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.391 3.300 -11.126 1.00 0.00 H new ATOM 1055 N MET A 65 -0.096 1.610 -7.230 1.00 0.00 N ATOM 1056 CA MET A 65 -0.527 0.944 -6.011 1.00 0.00 C ATOM 1057 C MET A 65 -0.291 -0.558 -6.108 1.00 0.00 C ATOM 1058 O MET A 65 -0.160 -1.104 -7.203 1.00 0.00 O ATOM 1059 CB MET A 65 -2.008 1.225 -5.747 1.00 0.00 C ATOM 1060 CG MET A 65 -2.265 2.580 -5.106 1.00 0.00 C ATOM 1061 SD MET A 65 -2.938 3.784 -6.269 1.00 0.00 S ATOM 1062 CE MET A 65 -1.433 4.458 -6.966 1.00 0.00 C ATOM 0 H MET A 65 -0.633 1.355 -8.059 1.00 0.00 H new ATOM 0 HA MET A 65 0.061 1.336 -5.181 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.554 1.169 -6.689 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.408 0.444 -5.100 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.958 2.458 -4.274 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.333 2.964 -4.691 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.560 5.526 -7.143 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.608 4.301 -6.271 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.213 3.958 -7.909 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.220 -1.250 -4.959 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.366 -0.654 -3.633 1.00 0.00 C ATOM 1074 C PRO A 66 0.945 -0.093 -3.086 1.00 0.00 C ATOM 1075 O PRO A 66 2.027 -0.588 -3.406 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.839 -1.832 -2.765 1.00 0.00 C ATOM 1077 CG PRO A 66 -0.878 -3.022 -3.675 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.006 -2.686 -4.848 1.00 0.00 C ATOM 0 HA PRO A 66 -1.050 0.194 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.158 -2.000 -1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.822 -1.633 -2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.515 -3.914 -3.164 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.898 -3.232 -3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.040 -2.933 -4.667 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.308 -3.218 -5.750 1.00 0.00 H new ATOM 1086 N GLN A 67 0.836 0.928 -2.242 1.00 0.00 N ATOM 1087 CA GLN A 67 2.005 1.545 -1.630 1.00 0.00 C ATOM 1088 C GLN A 67 2.030 1.257 -0.133 1.00 0.00 C ATOM 1089 O GLN A 67 1.118 1.639 0.597 1.00 0.00 O ATOM 1090 CB GLN A 67 2.004 3.055 -1.876 1.00 0.00 C ATOM 1091 CG GLN A 67 2.489 3.446 -3.261 1.00 0.00 C ATOM 1092 CD GLN A 67 3.987 3.274 -3.429 1.00 0.00 C ATOM 1093 OE1 GLN A 67 4.693 4.385 -3.604 1.00 0.00 O flip ATOM 1094 NE2 GLN A 67 4.503 2.157 -3.399 1.00 0.00 N flip ATOM 0 H GLN A 67 -0.053 1.346 -1.966 1.00 0.00 H new ATOM 0 HA GLN A 67 2.899 1.119 -2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.993 3.437 -1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.636 3.537 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.972 2.841 -4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.223 4.485 -3.454 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.922 1.330 -3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.512 2.058 -3.511 1.00 0.00 H new ATOM 1103 N VAL A 68 3.066 0.561 0.318 1.00 0.00 N ATOM 1104 CA VAL A 68 3.185 0.210 1.728 1.00 0.00 C ATOM 1105 C VAL A 68 3.964 1.264 2.512 1.00 0.00 C ATOM 1106 O VAL A 68 4.626 2.126 1.932 1.00 0.00 O ATOM 1107 CB VAL A 68 3.868 -1.165 1.913 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.554 -1.743 3.286 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.441 -2.132 0.817 1.00 0.00 C ATOM 0 H VAL A 68 3.832 0.230 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 68 2.168 0.161 2.118 1.00 0.00 H new ATOM 0 HB VAL A 68 4.946 -1.019 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.045 -2.710 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.916 -1.064 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.476 -1.869 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.934 -3.093 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.360 -2.269 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.723 -1.728 -0.155 1.00 0.00 H new ATOM 1119 N PHE A 69 3.883 1.179 3.841 1.00 0.00 N ATOM 1120 CA PHE A 69 4.584 2.116 4.717 1.00 0.00 C ATOM 1121 C PHE A 69 5.125 1.385 5.947 1.00 0.00 C ATOM 1122 O PHE A 69 4.505 0.448 6.449 1.00 0.00 O ATOM 1123 CB PHE A 69 3.647 3.246 5.156 1.00 0.00 C ATOM 1124 CG PHE A 69 3.384 4.258 4.081 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.273 5.296 3.858 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.252 4.167 3.288 1.00 0.00 C ATOM 1127 CE1 PHE A 69 4.039 6.224 2.862 1.00 0.00 C ATOM 1128 CE2 PHE A 69 2.011 5.091 2.290 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.907 6.122 2.076 1.00 0.00 C ATOM 0 H PHE A 69 3.339 0.471 4.333 1.00 0.00 H new ATOM 0 HA PHE A 69 5.417 2.547 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.699 2.816 5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.079 3.750 6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.159 5.381 4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.549 3.364 3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.740 7.029 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.125 5.008 1.678 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.723 6.846 1.296 1.00 0.00 H new ATOM 1139 N ALA A 70 6.302 1.804 6.403 1.00 0.00 N ATOM 1140 CA ALA A 70 6.960 1.181 7.549 1.00 0.00 C ATOM 1141 C ALA A 70 6.061 1.123 8.784 1.00 0.00 C ATOM 1142 O ALA A 70 5.173 1.958 8.961 1.00 0.00 O ATOM 1143 CB ALA A 70 8.247 1.924 7.877 1.00 0.00 C ATOM 0 H ALA A 70 6.824 2.579 5.993 1.00 0.00 H new ATOM 0 HA ALA A 70 7.186 0.152 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.731 1.453 8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.916 1.890 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.017 2.962 8.117 1.00 0.00 H new ATOM 1149 N PRO A 71 6.296 0.126 9.659 1.00 0.00 N ATOM 1150 CA PRO A 71 5.526 -0.054 10.901 1.00 0.00 C ATOM 1151 C PRO A 71 5.613 1.158 11.824 1.00 0.00 C ATOM 1152 O PRO A 71 4.696 1.425 12.599 1.00 0.00 O ATOM 1153 CB PRO A 71 6.198 -1.267 11.559 1.00 0.00 C ATOM 1154 CG PRO A 71 6.869 -1.981 10.443 1.00 0.00 C ATOM 1155 CD PRO A 71 7.342 -0.903 9.516 1.00 0.00 C ATOM 0 HA PRO A 71 4.462 -0.186 10.702 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.916 -0.958 12.319 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.466 -1.905 12.053 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.703 -2.583 10.805 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.181 -2.660 9.939 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.324 -0.525 9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.423 -1.258 8.489 1.00 0.00 H new ATOM 1163 N ASP A 72 6.724 1.882 11.741 1.00 0.00 N ATOM 1164 CA ASP A 72 6.933 3.059 12.579 1.00 0.00 C ATOM 1165 C ASP A 72 6.541 4.345 11.853 1.00 0.00 C ATOM 1166 O ASP A 72 6.285 5.369 12.487 1.00 0.00 O ATOM 1167 CB ASP A 72 8.392 3.135 13.025 1.00 0.00 C ATOM 1168 CG ASP A 72 8.545 2.991 14.528 1.00 0.00 C ATOM 1169 OD1 ASP A 72 8.377 1.863 15.036 1.00 0.00 O ATOM 1170 OD2 ASP A 72 8.831 4.008 15.195 1.00 0.00 O ATOM 0 H ASP A 72 7.493 1.676 11.103 1.00 0.00 H new ATOM 0 HA ASP A 72 6.291 2.961 13.454 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.963 2.351 12.528 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.817 4.088 12.709 1.00 0.00 H new ATOM 1175 N GLY A 73 6.500 4.295 10.525 1.00 0.00 N ATOM 1176 CA GLY A 73 6.140 5.471 9.756 1.00 0.00 C ATOM 1177 C GLY A 73 7.197 5.858 8.741 1.00 0.00 C ATOM 1178 O GLY A 73 8.043 6.711 9.008 1.00 0.00 O ATOM 0 H GLY A 73 6.709 3.465 9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.198 5.287 9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.973 6.306 10.436 1.00 0.00 H new ATOM 1182 N SER A 74 7.145 5.229 7.572 1.00 0.00 N ATOM 1183 CA SER A 74 8.098 5.506 6.503 1.00 0.00 C ATOM 1184 C SER A 74 7.616 4.889 5.196 1.00 0.00 C ATOM 1185 O SER A 74 6.748 4.021 5.200 1.00 0.00 O ATOM 1186 CB SER A 74 9.482 4.959 6.862 1.00 0.00 C ATOM 1187 OG SER A 74 9.546 4.576 8.226 1.00 0.00 O ATOM 0 H SER A 74 6.449 4.520 7.340 1.00 0.00 H new ATOM 0 HA SER A 74 8.172 6.586 6.379 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.712 4.101 6.230 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.239 5.717 6.659 1.00 0.00 H new ATOM 0 HG SER A 74 10.440 4.229 8.427 1.00 0.00 H new ATOM 1193 N HIS A 75 8.175 5.343 4.082 1.00 0.00 N ATOM 1194 CA HIS A 75 7.792 4.828 2.772 1.00 0.00 C ATOM 1195 C HIS A 75 8.667 3.642 2.374 1.00 0.00 C ATOM 1196 O HIS A 75 9.894 3.716 2.439 1.00 0.00 O ATOM 1197 CB HIS A 75 7.898 5.931 1.719 1.00 0.00 C ATOM 1198 CG HIS A 75 7.115 5.648 0.475 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.443 6.142 -0.769 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.991 4.907 0.297 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.528 5.697 -1.642 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.627 4.942 -1.046 1.00 0.00 N ATOM 0 H HIS A 75 8.894 6.066 4.058 1.00 0.00 H new ATOM 0 HA HIS A 75 6.758 4.488 2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.551 6.869 2.151 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.946 6.070 1.455 1.00 0.00 H new ATOM 0 HD1 HIS A 75 8.240 6.740 -0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.463 4.375 1.074 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.529 5.927 -2.697 1.00 0.00 H new ATOM 1210 N ILE A 76 8.032 2.546 1.964 1.00 0.00 N ATOM 1211 CA ILE A 76 8.764 1.349 1.557 1.00 0.00 C ATOM 1212 C ILE A 76 8.537 1.052 0.075 1.00 0.00 C ATOM 1213 O ILE A 76 9.477 0.731 -0.651 1.00 0.00 O ATOM 1214 CB ILE A 76 8.363 0.123 2.416 1.00 0.00 C ATOM 1215 CG1 ILE A 76 9.057 0.186 3.777 1.00 0.00 C ATOM 1216 CG2 ILE A 76 8.704 -1.185 1.714 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.095 0.318 4.933 1.00 0.00 C ATOM 0 H ILE A 76 7.017 2.462 1.905 1.00 0.00 H new ATOM 0 HA ILE A 76 9.825 1.543 1.717 1.00 0.00 H new ATOM 0 HB ILE A 76 7.283 0.154 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.656 -0.714 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.745 1.032 3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.409 -2.024 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.170 -1.239 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.777 -1.230 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.653 0.357 5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.513 1.233 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.423 -0.540 4.947 1.00 0.00 H new ATOM 1229 N GLY A 77 7.289 1.165 -0.369 1.00 0.00 N ATOM 1230 CA GLY A 77 6.977 0.914 -1.765 1.00 0.00 C ATOM 1231 C GLY A 77 5.998 -0.227 -1.960 1.00 0.00 C ATOM 1232 O GLY A 77 5.214 -0.546 -1.067 1.00 0.00 O ATOM 0 H GLY A 77 6.491 1.425 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.562 1.820 -2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.898 0.690 -2.302 1.00 0.00 H new ATOM 1236 N GLY A 78 6.039 -0.835 -3.143 1.00 0.00 N ATOM 1237 CA GLY A 78 5.143 -1.938 -3.450 1.00 0.00 C ATOM 1238 C GLY A 78 5.772 -3.292 -3.176 1.00 0.00 C ATOM 1239 O GLY A 78 6.381 -3.497 -2.130 1.00 0.00 O ATOM 0 H GLY A 78 6.679 -0.583 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.233 -1.838 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.850 -1.883 -4.498 1.00 0.00 H new ATOM 1243 N PHE A 79 5.625 -4.219 -4.119 1.00 0.00 N ATOM 1244 CA PHE A 79 6.187 -5.558 -3.967 1.00 0.00 C ATOM 1245 C PHE A 79 7.694 -5.548 -4.193 1.00 0.00 C ATOM 1246 O PHE A 79 8.464 -5.719 -3.253 1.00 0.00 O ATOM 1247 CB PHE A 79 5.510 -6.537 -4.928 1.00 0.00 C ATOM 1248 CG PHE A 79 5.551 -7.962 -4.451 1.00 0.00 C ATOM 1249 CD1 PHE A 79 6.710 -8.485 -3.908 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.438 -8.779 -4.559 1.00 0.00 C ATOM 1251 CE1 PHE A 79 6.763 -9.798 -3.482 1.00 0.00 C ATOM 1252 CE2 PHE A 79 4.484 -10.090 -4.130 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.647 -10.601 -3.593 1.00 0.00 C ATOM 0 H PHE A 79 5.123 -4.068 -4.994 1.00 0.00 H new ATOM 0 HA PHE A 79 6.000 -5.887 -2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 79 4.471 -6.238 -5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.995 -6.473 -5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.585 -7.859 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.525 -8.387 -4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.676 -10.195 -3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.608 -10.716 -4.215 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.684 -11.628 -3.260 1.00 0.00 H new ATOM 1263 N ASP A 80 8.118 -5.338 -5.436 1.00 0.00 N ATOM 1264 CA ASP A 80 9.543 -5.309 -5.757 1.00 0.00 C ATOM 1265 C ASP A 80 10.293 -4.401 -4.788 1.00 0.00 C ATOM 1266 O ASP A 80 11.362 -4.752 -4.281 1.00 0.00 O ATOM 1267 CB ASP A 80 9.756 -4.826 -7.194 1.00 0.00 C ATOM 1268 CG ASP A 80 11.176 -5.051 -7.673 1.00 0.00 C ATOM 1269 OD1 ASP A 80 12.017 -4.148 -7.480 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.448 -6.131 -8.237 1.00 0.00 O ATOM 0 H ASP A 80 7.500 -5.186 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 80 9.935 -6.322 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.065 -5.347 -7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.518 -3.764 -7.257 1.00 0.00 H new ATOM 1275 N GLN A 81 9.716 -3.233 -4.533 1.00 0.00 N ATOM 1276 CA GLN A 81 10.315 -2.264 -3.625 1.00 0.00 C ATOM 1277 C GLN A 81 10.391 -2.822 -2.207 1.00 0.00 C ATOM 1278 O GLN A 81 11.412 -2.690 -1.533 1.00 0.00 O ATOM 1279 CB GLN A 81 9.509 -0.965 -3.631 1.00 0.00 C ATOM 1280 CG GLN A 81 10.359 0.280 -3.435 1.00 0.00 C ATOM 1281 CD GLN A 81 11.095 0.687 -4.697 1.00 0.00 C ATOM 1282 OE1 GLN A 81 11.101 -0.041 -5.689 1.00 0.00 O ATOM 1283 NE2 GLN A 81 11.722 1.857 -4.663 1.00 0.00 N ATOM 0 H GLN A 81 8.832 -2.934 -4.944 1.00 0.00 H new ATOM 0 HA GLN A 81 11.328 -2.057 -3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.974 -0.884 -4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.758 -1.010 -2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.723 1.102 -3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.082 0.101 -2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.690 2.428 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.235 2.185 -5.481 1.00 0.00 H new ATOM 1292 N LEU A 82 9.304 -3.443 -1.758 1.00 0.00 N ATOM 1293 CA LEU A 82 9.254 -4.015 -0.419 1.00 0.00 C ATOM 1294 C LEU A 82 10.151 -5.237 -0.294 1.00 0.00 C ATOM 1295 O LEU A 82 10.885 -5.372 0.683 1.00 0.00 O ATOM 1296 CB LEU A 82 7.832 -4.365 -0.031 1.00 0.00 C ATOM 1297 CG LEU A 82 7.710 -4.891 1.389 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.726 -4.066 2.192 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.319 -6.346 1.357 1.00 0.00 C ATOM 0 H LEU A 82 8.449 -3.562 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 82 9.626 -3.255 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.205 -3.480 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.448 -5.114 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 82 8.676 -4.804 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.658 -4.464 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.066 -3.031 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.745 -4.108 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.232 -6.722 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.362 -6.454 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.080 -6.916 0.824 1.00 0.00 H new ATOM 1311 N ARG A 83 10.121 -6.117 -1.290 1.00 0.00 N ATOM 1312 CA ARG A 83 10.971 -7.303 -1.266 1.00 0.00 C ATOM 1313 C ARG A 83 12.409 -6.884 -0.999 1.00 0.00 C ATOM 1314 O ARG A 83 13.172 -7.606 -0.361 1.00 0.00 O ATOM 1315 CB ARG A 83 10.875 -8.064 -2.591 1.00 0.00 C ATOM 1316 CG ARG A 83 10.673 -9.561 -2.419 1.00 0.00 C ATOM 1317 CD ARG A 83 10.624 -10.274 -3.760 1.00 0.00 C ATOM 1318 NE ARG A 83 11.862 -10.102 -4.518 1.00 0.00 N ATOM 1319 CZ ARG A 83 12.046 -10.564 -5.752 1.00 0.00 C ATOM 1320 NH1 ARG A 83 11.077 -11.226 -6.372 1.00 0.00 N ATOM 1321 NH2 ARG A 83 13.202 -10.363 -6.369 1.00 0.00 N ATOM 0 H ARG A 83 9.526 -6.034 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 83 10.633 -7.968 -0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.048 -7.659 -3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.785 -7.892 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.483 -9.972 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.747 -9.744 -1.874 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.442 -11.337 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.786 -9.892 -4.343 1.00 0.00 H new ATOM 0 HE ARG A 83 12.630 -9.598 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.185 -11.383 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.224 -11.578 -7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.950 -9.854 -5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.343 -10.717 -7.315 1.00 0.00 H new ATOM 1335 N GLU A 84 12.760 -5.690 -1.470 1.00 0.00 N ATOM 1336 CA GLU A 84 14.094 -5.153 -1.251 1.00 0.00 C ATOM 1337 C GLU A 84 14.235 -4.732 0.205 1.00 0.00 C ATOM 1338 O GLU A 84 15.311 -4.839 0.796 1.00 0.00 O ATOM 1339 CB GLU A 84 14.355 -3.962 -2.177 1.00 0.00 C ATOM 1340 CG GLU A 84 15.069 -4.336 -3.465 1.00 0.00 C ATOM 1341 CD GLU A 84 14.128 -4.418 -4.652 1.00 0.00 C ATOM 1342 OE1 GLU A 84 13.503 -3.389 -4.985 1.00 0.00 O ATOM 1343 OE2 GLU A 84 14.016 -5.510 -5.248 1.00 0.00 O ATOM 0 H GLU A 84 12.140 -5.081 -2.003 1.00 0.00 H new ATOM 0 HA GLU A 84 14.830 -5.924 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.404 -3.489 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.951 -3.222 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.846 -3.600 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.567 -5.297 -3.334 1.00 0.00 H new ATOM 1350 N TYR A 85 13.126 -4.277 0.787 1.00 0.00 N ATOM 1351 CA TYR A 85 13.098 -3.866 2.179 1.00 0.00 C ATOM 1352 C TYR A 85 13.275 -5.085 3.077 1.00 0.00 C ATOM 1353 O TYR A 85 13.860 -5.000 4.157 1.00 0.00 O ATOM 1354 CB TYR A 85 11.767 -3.175 2.478 1.00 0.00 C ATOM 1355 CG TYR A 85 11.684 -2.545 3.848 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.228 -3.269 4.941 1.00 0.00 C ATOM 1357 CD2 TYR A 85 12.046 -1.218 4.043 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.139 -2.691 6.193 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.958 -0.632 5.291 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.504 -1.371 6.362 1.00 0.00 C ATOM 1361 OH TYR A 85 11.413 -0.790 7.607 1.00 0.00 O ATOM 0 H TYR A 85 12.231 -4.186 0.306 1.00 0.00 H new ATOM 0 HA TYR A 85 13.912 -3.167 2.372 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.595 -2.405 1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.963 -3.904 2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.938 -4.301 4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.402 -0.635 3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.786 -3.269 7.034 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.244 0.401 5.427 1.00 0.00 H new ATOM 0 HH TYR A 85 11.709 0.143 7.555 1.00 0.00 H new ATOM 1371 N PHE A 86 12.769 -6.222 2.605 1.00 0.00 N ATOM 1372 CA PHE A 86 12.858 -7.481 3.337 1.00 0.00 C ATOM 1373 C PHE A 86 14.040 -8.323 2.862 1.00 0.00 C ATOM 1374 O PHE A 86 15.029 -8.480 3.577 1.00 0.00 O ATOM 1375 CB PHE A 86 11.555 -8.266 3.174 1.00 0.00 C ATOM 1376 CG PHE A 86 10.491 -7.854 4.149 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.691 -8.017 5.510 1.00 0.00 C ATOM 1378 CD2 PHE A 86 9.302 -7.298 3.711 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.723 -7.633 6.417 1.00 0.00 C ATOM 1380 CE2 PHE A 86 8.327 -6.913 4.615 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.540 -7.081 5.969 1.00 0.00 C ATOM 0 H PHE A 86 12.288 -6.296 1.709 1.00 0.00 H new ATOM 0 HA PHE A 86 13.017 -7.250 4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.181 -8.130 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.761 -9.329 3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.615 -8.449 5.866 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.133 -7.163 2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.891 -7.764 7.476 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.402 -6.482 4.262 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.782 -6.781 6.677 1.00 0.00 H new ATOM 1391 N LYS A 87 13.928 -8.860 1.651 1.00 0.00 N ATOM 1392 CA LYS A 87 14.984 -9.689 1.074 1.00 0.00 C ATOM 1393 C LYS A 87 15.486 -9.091 -0.237 1.00 0.00 C ATOM 1394 O LYS A 87 16.455 -8.304 -0.196 1.00 0.00 O ATOM 1395 CB LYS A 87 14.472 -11.110 0.834 1.00 0.00 C ATOM 1396 CG LYS A 87 13.085 -11.161 0.213 1.00 0.00 C ATOM 1397 CD LYS A 87 12.930 -12.359 -0.709 1.00 0.00 C ATOM 1398 CE LYS A 87 13.436 -12.054 -2.110 1.00 0.00 C ATOM 1399 NZ LYS A 87 14.918 -12.164 -2.200 1.00 0.00 N ATOM 1400 OXT LYS A 87 14.905 -9.415 -1.294 1.00 0.00 O ATOM 0 H LYS A 87 13.115 -8.736 1.048 1.00 0.00 H new ATOM 0 HA LYS A 87 15.813 -9.723 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.172 -11.634 0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.456 -11.646 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.334 -11.208 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.902 -10.244 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.478 -13.208 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.881 -12.650 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.977 -12.742 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.128 -11.048 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.190 -12.405 -3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.350 -11.256 -1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.251 -12.908 -1.554 1.00 0.00 H new