USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 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 : amide:sc= -8.46! C(o=-16!,f=-20!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -7.67! C(o=-16!,f=-20!) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -166:sc= 0.985 (180deg=0.846) USER MOD Set 2.2: A 29 GLN : amide:sc= -4.21 K(o=-3.2,f=-8.8!) USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0892) USER MOD Single : A 1 MET N :NH3+ -114:sc= -2.95! (180deg=-5.89!) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00711) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.84! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 12 HIS : no HD1:sc= -0.716 X(o=-0.72,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0337) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.22) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.221 K(o=-0.22,f=-4.8!) USER MOD Single : A 37 MET CE :methyl 165:sc= -2.23 (180deg=-2.85) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= 0.00849 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.948 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0309 USER MOD Single : A 60 GLN : amide:sc= -0.0589 K(o=-0.059,f=-2.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 174:sc= 0 (180deg=-0.00178) USER MOD Single : A 74 SER OG : rot 180:sc= -2.44 USER MOD Single : A 81 GLN : amide:sc= -0.264 K(o=-0.26,f=0.66) 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 -11.979 1.485 -5.359 1.00 0.00 N ATOM 2 CA MET A 1 -10.933 0.430 -5.247 1.00 0.00 C ATOM 3 C MET A 1 -9.717 0.924 -4.471 1.00 0.00 C ATOM 4 O MET A 1 -9.152 1.972 -4.783 1.00 0.00 O ATOM 5 CB MET A 1 -10.541 0.011 -6.661 1.00 0.00 C ATOM 6 CG MET A 1 -9.421 -0.998 -6.749 1.00 0.00 C ATOM 7 SD MET A 1 -8.853 -1.248 -8.441 1.00 0.00 S ATOM 8 CE MET A 1 -10.236 -2.151 -9.133 1.00 0.00 C ATOM 0 H1 MET A 1 -12.824 1.193 -4.828 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.615 2.377 -4.968 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.228 1.622 -6.359 1.00 0.00 H new ATOM 0 HA MET A 1 -11.329 -0.421 -4.693 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.420 -0.402 -7.156 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.250 0.901 -7.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.586 -0.664 -6.134 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.759 -1.949 -6.338 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.978 -2.503 -10.132 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.468 -3.005 -8.496 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.105 -1.496 -9.193 1.00 0.00 H new ATOM 20 N PHE A 2 -9.324 0.166 -3.453 1.00 0.00 N ATOM 21 CA PHE A 2 -8.182 0.538 -2.629 1.00 0.00 C ATOM 22 C PHE A 2 -6.926 0.677 -3.475 1.00 0.00 C ATOM 23 O PHE A 2 -6.814 0.083 -4.549 1.00 0.00 O ATOM 24 CB PHE A 2 -7.959 -0.489 -1.519 1.00 0.00 C ATOM 25 CG PHE A 2 -9.010 -0.454 -0.447 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.219 -1.106 -0.623 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.789 0.232 0.734 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.187 -1.077 0.363 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.752 0.266 1.723 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.953 -0.390 1.537 1.00 0.00 C ATOM 0 H PHE A 2 -9.778 -0.706 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.399 1.503 -2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.933 -1.486 -1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.983 -0.315 -1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.408 -1.643 -1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.852 0.747 0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.125 -1.591 0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.566 0.805 2.640 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.708 -0.365 2.309 1.00 0.00 H new ATOM 40 N LYS A 3 -5.988 1.470 -2.985 1.00 0.00 N ATOM 41 CA LYS A 3 -4.739 1.704 -3.690 1.00 0.00 C ATOM 42 C LYS A 3 -3.552 1.452 -2.776 1.00 0.00 C ATOM 43 O LYS A 3 -3.416 2.096 -1.740 1.00 0.00 O ATOM 44 CB LYS A 3 -4.697 3.140 -4.204 1.00 0.00 C ATOM 45 CG LYS A 3 -5.341 3.320 -5.567 1.00 0.00 C ATOM 46 CD LYS A 3 -6.815 3.670 -5.438 1.00 0.00 C ATOM 47 CE LYS A 3 -7.583 3.325 -6.703 1.00 0.00 C ATOM 48 NZ LYS A 3 -7.103 4.109 -7.875 1.00 0.00 N ATOM 0 H LYS A 3 -6.069 1.965 -2.097 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.682 1.014 -4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.200 3.788 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.659 3.467 -4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.824 4.108 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.232 2.404 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.245 3.133 -4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.920 4.734 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.480 2.260 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.644 3.518 -6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.685 3.882 -8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.178 5.125 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.111 3.868 -8.071 1.00 0.00 H new ATOM 62 N VAL A 4 -2.694 0.516 -3.157 1.00 0.00 N ATOM 63 CA VAL A 4 -1.523 0.205 -2.350 1.00 0.00 C ATOM 64 C VAL A 4 -0.230 0.524 -3.084 1.00 0.00 C ATOM 65 O VAL A 4 -0.102 0.291 -4.286 1.00 0.00 O ATOM 66 CB VAL A 4 -1.488 -1.277 -1.918 1.00 0.00 C ATOM 67 CG1 VAL A 4 -0.142 -1.629 -1.298 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.604 -1.576 -0.938 1.00 0.00 C ATOM 0 H VAL A 4 -2.785 -0.036 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.603 0.833 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.631 -1.888 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.141 -2.678 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.650 -1.457 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.029 -1.004 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.561 -2.625 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.489 -0.949 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.566 -1.369 -1.408 1.00 0.00 H new ATOM 78 N TYR A 5 0.735 1.025 -2.329 1.00 0.00 N ATOM 79 CA TYR A 5 2.045 1.351 -2.860 1.00 0.00 C ATOM 80 C TYR A 5 3.089 0.557 -2.094 1.00 0.00 C ATOM 81 O TYR A 5 3.454 0.918 -0.975 1.00 0.00 O ATOM 82 CB TYR A 5 2.340 2.845 -2.728 1.00 0.00 C ATOM 83 CG TYR A 5 1.423 3.741 -3.530 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.046 3.717 -3.342 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.941 4.627 -4.466 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.787 4.551 -4.064 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.116 5.467 -5.189 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.247 5.426 -4.985 1.00 0.00 C ATOM 89 OH TYR A 5 -1.073 6.260 -5.703 1.00 0.00 O ATOM 0 H TYR A 5 0.630 1.216 -1.333 1.00 0.00 H new ATOM 0 HA TYR A 5 2.070 1.096 -3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.271 3.124 -1.677 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.368 3.028 -3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.380 3.036 -2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.008 4.660 -4.632 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.855 4.518 -3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.537 6.152 -5.910 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.867 6.473 -5.169 1.00 0.00 H new ATOM 99 N GLY A 6 3.548 -0.539 -2.678 1.00 0.00 N ATOM 100 CA GLY A 6 4.527 -1.364 -2.008 1.00 0.00 C ATOM 101 C GLY A 6 5.295 -2.250 -2.961 1.00 0.00 C ATOM 102 O GLY A 6 5.706 -1.815 -4.037 1.00 0.00 O ATOM 0 H GLY A 6 3.261 -0.870 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.227 -0.725 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.026 -1.985 -1.266 1.00 0.00 H new ATOM 106 N TYR A 7 5.502 -3.493 -2.551 1.00 0.00 N ATOM 107 CA TYR A 7 6.234 -4.452 -3.346 1.00 0.00 C ATOM 108 C TYR A 7 5.389 -5.692 -3.620 1.00 0.00 C ATOM 109 O TYR A 7 4.613 -6.123 -2.766 1.00 0.00 O ATOM 110 CB TYR A 7 7.501 -4.834 -2.602 1.00 0.00 C ATOM 111 CG TYR A 7 8.245 -3.631 -2.084 1.00 0.00 C ATOM 112 CD1 TYR A 7 8.913 -2.786 -2.955 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.260 -3.326 -0.731 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.577 -1.672 -2.495 1.00 0.00 C ATOM 115 CE2 TYR A 7 8.920 -2.209 -0.262 1.00 0.00 C ATOM 116 CZ TYR A 7 9.579 -1.385 -1.147 1.00 0.00 C ATOM 117 OH TYR A 7 10.237 -0.270 -0.683 1.00 0.00 O ATOM 0 H TYR A 7 5.166 -3.858 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 7 6.486 -4.004 -4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.247 -5.488 -1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.152 -5.403 -3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.913 -3.005 -4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.747 -3.973 -0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.095 -1.025 -3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.920 -1.982 0.794 1.00 0.00 H new ATOM 0 HH TYR A 7 10.139 -0.214 0.290 1.00 0.00 H new ATOM 127 N ASP A 8 5.542 -6.265 -4.809 1.00 0.00 N ATOM 128 CA ASP A 8 4.789 -7.458 -5.181 1.00 0.00 C ATOM 129 C ASP A 8 5.697 -8.683 -5.221 1.00 0.00 C ATOM 130 O ASP A 8 5.455 -9.623 -5.979 1.00 0.00 O ATOM 131 CB ASP A 8 4.119 -7.264 -6.543 1.00 0.00 C ATOM 132 CG ASP A 8 2.785 -7.980 -6.638 1.00 0.00 C ATOM 133 OD1 ASP A 8 2.678 -9.107 -6.111 1.00 0.00 O ATOM 134 OD2 ASP A 8 1.850 -7.413 -7.241 1.00 0.00 O ATOM 0 H ASP A 8 6.178 -5.924 -5.530 1.00 0.00 H new ATOM 0 HA ASP A 8 4.020 -7.619 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.971 -6.199 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.782 -7.631 -7.327 1.00 0.00 H new ATOM 139 N SER A 9 6.746 -8.665 -4.405 1.00 0.00 N ATOM 140 CA SER A 9 7.696 -9.773 -4.350 1.00 0.00 C ATOM 141 C SER A 9 8.413 -9.954 -5.689 1.00 0.00 C ATOM 142 O SER A 9 9.048 -10.981 -5.926 1.00 0.00 O ATOM 143 CB SER A 9 6.983 -11.069 -3.964 1.00 0.00 C ATOM 144 OG SER A 9 6.223 -10.900 -2.781 1.00 0.00 O ATOM 0 H SER A 9 6.961 -7.895 -3.772 1.00 0.00 H new ATOM 0 HA SER A 9 8.441 -9.535 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.330 -11.385 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.717 -11.862 -3.818 1.00 0.00 H new ATOM 0 HG SER A 9 5.776 -11.742 -2.556 1.00 0.00 H new ATOM 150 N ASN A 10 8.312 -8.950 -6.559 1.00 0.00 N ATOM 151 CA ASN A 10 8.956 -9.004 -7.865 1.00 0.00 C ATOM 152 C ASN A 10 10.399 -8.524 -7.772 1.00 0.00 C ATOM 153 O ASN A 10 11.332 -9.242 -8.130 1.00 0.00 O ATOM 154 CB ASN A 10 8.187 -8.149 -8.874 1.00 0.00 C ATOM 155 CG ASN A 10 7.003 -8.882 -9.473 1.00 0.00 C ATOM 156 OD1 ASN A 10 6.362 -9.697 -8.809 1.00 0.00 O ATOM 157 ND2 ASN A 10 6.705 -8.593 -10.734 1.00 0.00 N ATOM 0 H ASN A 10 7.790 -8.092 -6.381 1.00 0.00 H new ATOM 0 HA ASN A 10 8.953 -10.040 -8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.837 -7.240 -8.384 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.861 -7.841 -9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.917 -9.053 -11.190 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.264 -7.911 -11.247 1.00 0.00 H new ATOM 164 N ILE A 11 10.572 -7.299 -7.284 1.00 0.00 N ATOM 165 CA ILE A 11 11.898 -6.710 -7.139 1.00 0.00 C ATOM 166 C ILE A 11 12.345 -6.720 -5.679 1.00 0.00 C ATOM 167 O ILE A 11 13.541 -6.756 -5.385 1.00 0.00 O ATOM 168 CB ILE A 11 11.933 -5.263 -7.668 1.00 0.00 C ATOM 169 CG1 ILE A 11 11.177 -5.156 -8.995 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.371 -4.795 -7.835 1.00 0.00 C ATOM 171 CD1 ILE A 11 11.681 -6.105 -10.060 1.00 0.00 C ATOM 0 H ILE A 11 9.808 -6.694 -6.982 1.00 0.00 H new ATOM 0 HA ILE A 11 12.582 -7.319 -7.730 1.00 0.00 H new ATOM 0 HB ILE A 11 11.440 -4.618 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.120 -5.352 -8.817 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.254 -4.134 -9.366 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.379 -3.771 -8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.880 -4.833 -6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.885 -5.445 -8.543 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.098 -5.972 -10.971 1.00 0.00 H new ATOM 0 HD12 ILE A 11 12.730 -5.896 -10.267 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.578 -7.132 -9.710 1.00 0.00 H new ATOM 183 N HIS A 12 11.376 -6.694 -4.769 1.00 0.00 N ATOM 184 CA HIS A 12 11.661 -6.708 -3.342 1.00 0.00 C ATOM 185 C HIS A 12 10.645 -7.570 -2.600 1.00 0.00 C ATOM 186 O HIS A 12 9.508 -7.725 -3.044 1.00 0.00 O ATOM 187 CB HIS A 12 11.648 -5.287 -2.776 1.00 0.00 C ATOM 188 CG HIS A 12 12.129 -5.205 -1.360 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.162 -5.962 -0.855 1.00 0.00 N ATOM 190 CD2 HIS A 12 11.694 -4.434 -0.331 1.00 0.00 C ATOM 191 CE1 HIS A 12 13.317 -5.638 0.435 1.00 0.00 C ATOM 192 NE2 HIS A 12 12.452 -4.714 0.803 1.00 0.00 N ATOM 0 H HIS A 12 10.383 -6.663 -4.998 1.00 0.00 H new ATOM 0 HA HIS A 12 12.654 -7.134 -3.200 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.273 -4.649 -3.401 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.634 -4.892 -2.831 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.888 -3.717 -0.383 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.055 -6.077 1.089 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.358 -4.292 1.727 1.00 0.00 H new ATOM 200 N LYS A 13 11.064 -8.135 -1.473 1.00 0.00 N ATOM 201 CA LYS A 13 10.189 -8.988 -0.674 1.00 0.00 C ATOM 202 C LYS A 13 9.143 -8.162 0.070 1.00 0.00 C ATOM 203 O LYS A 13 9.201 -6.932 0.082 1.00 0.00 O ATOM 204 CB LYS A 13 11.018 -9.802 0.324 1.00 0.00 C ATOM 205 CG LYS A 13 10.670 -11.282 0.341 1.00 0.00 C ATOM 206 CD LYS A 13 10.499 -11.802 1.760 1.00 0.00 C ATOM 207 CE LYS A 13 9.197 -12.568 1.916 1.00 0.00 C ATOM 208 NZ LYS A 13 9.159 -13.778 1.050 1.00 0.00 N ATOM 0 H LYS A 13 12.003 -8.019 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 13 9.669 -9.667 -1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.075 -9.689 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.873 -9.392 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.750 -11.446 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.455 -11.847 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.337 -12.450 2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.518 -10.967 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.072 -12.863 2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.360 -11.916 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.328 -14.354 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.099 -13.489 0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.023 -14.338 1.197 1.00 0.00 H new ATOM 222 N CYS A 14 8.188 -8.850 0.692 1.00 0.00 N ATOM 223 CA CYS A 14 7.129 -8.186 1.444 1.00 0.00 C ATOM 224 C CYS A 14 6.189 -9.207 2.081 1.00 0.00 C ATOM 225 O CYS A 14 5.404 -9.857 1.391 1.00 0.00 O ATOM 226 CB CYS A 14 6.331 -7.246 0.536 1.00 0.00 C ATOM 227 SG CYS A 14 5.073 -6.259 1.411 1.00 0.00 S ATOM 0 H CYS A 14 8.127 -9.868 0.689 1.00 0.00 H new ATOM 0 HA CYS A 14 7.599 -7.602 2.235 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.022 -6.570 0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.841 -7.836 -0.239 1.00 0.00 H new ATOM 232 N VAL A 15 6.274 -9.344 3.403 1.00 0.00 N ATOM 233 CA VAL A 15 5.428 -10.286 4.129 1.00 0.00 C ATOM 234 C VAL A 15 4.084 -9.663 4.478 1.00 0.00 C ATOM 235 O VAL A 15 3.062 -10.348 4.527 1.00 0.00 O ATOM 236 CB VAL A 15 6.102 -10.764 5.428 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.321 -11.615 5.114 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.476 -9.579 6.306 1.00 0.00 C ATOM 0 H VAL A 15 6.919 -8.816 3.991 1.00 0.00 H new ATOM 0 HA VAL A 15 5.274 -11.140 3.469 1.00 0.00 H new ATOM 0 HB VAL A 15 5.392 -11.380 5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.785 -11.944 6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.017 -12.485 4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.037 -11.027 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.951 -9.938 7.219 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.168 -8.931 5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.577 -9.017 6.561 1.00 0.00 H new ATOM 248 N TYR A 16 4.094 -8.360 4.725 1.00 0.00 N ATOM 249 CA TYR A 16 2.877 -7.638 5.074 1.00 0.00 C ATOM 250 C TYR A 16 1.948 -7.503 3.870 1.00 0.00 C ATOM 251 O TYR A 16 0.766 -7.196 4.019 1.00 0.00 O ATOM 252 CB TYR A 16 3.226 -6.256 5.627 1.00 0.00 C ATOM 253 CG TYR A 16 3.498 -6.255 7.114 1.00 0.00 C ATOM 254 CD1 TYR A 16 2.462 -6.392 8.026 1.00 0.00 C ATOM 255 CD2 TYR A 16 4.791 -6.117 7.604 1.00 0.00 C ATOM 256 CE1 TYR A 16 2.703 -6.392 9.386 1.00 0.00 C ATOM 257 CE2 TYR A 16 5.041 -6.116 8.963 1.00 0.00 C ATOM 258 CZ TYR A 16 3.994 -6.253 9.850 1.00 0.00 C ATOM 259 OH TYR A 16 4.239 -6.250 11.204 1.00 0.00 O ATOM 0 H TYR A 16 4.933 -7.780 4.690 1.00 0.00 H new ATOM 0 HA TYR A 16 2.354 -8.210 5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.103 -5.875 5.105 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.406 -5.570 5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.449 -6.501 7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.613 -6.009 6.912 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.885 -6.500 10.082 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.051 -6.008 9.329 1.00 0.00 H new ATOM 0 HH TYR A 16 5.200 -6.144 11.362 1.00 0.00 H new ATOM 269 N CYS A 17 2.488 -7.735 2.676 1.00 0.00 N ATOM 270 CA CYS A 17 1.703 -7.642 1.452 1.00 0.00 C ATOM 271 C CYS A 17 0.735 -8.814 1.343 1.00 0.00 C ATOM 272 O CYS A 17 -0.475 -8.627 1.213 1.00 0.00 O ATOM 273 CB CYS A 17 2.624 -7.611 0.231 1.00 0.00 C ATOM 274 SG CYS A 17 3.576 -6.067 0.053 1.00 0.00 S ATOM 0 H CYS A 17 3.465 -7.988 2.532 1.00 0.00 H new ATOM 0 HA CYS A 17 1.127 -6.717 1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.319 -8.448 0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.024 -7.760 -0.667 1.00 0.00 H new ATOM 279 N ASP A 18 1.276 -10.026 1.403 1.00 0.00 N ATOM 280 CA ASP A 18 0.466 -11.237 1.314 1.00 0.00 C ATOM 281 C ASP A 18 -0.682 -11.205 2.319 1.00 0.00 C ATOM 282 O ASP A 18 -1.730 -11.812 2.099 1.00 0.00 O ATOM 283 CB ASP A 18 1.334 -12.472 1.556 1.00 0.00 C ATOM 284 CG ASP A 18 0.852 -13.679 0.777 1.00 0.00 C ATOM 285 OD1 ASP A 18 -0.200 -14.241 1.146 1.00 0.00 O ATOM 286 OD2 ASP A 18 1.525 -14.060 -0.203 1.00 0.00 O ATOM 0 H ASP A 18 2.276 -10.197 1.513 1.00 0.00 H new ATOM 0 HA ASP A 18 0.043 -11.286 0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.364 -12.250 1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.337 -12.708 2.620 1.00 0.00 H new ATOM 291 N ASN A 19 -0.477 -10.496 3.424 1.00 0.00 N ATOM 292 CA ASN A 19 -1.494 -10.389 4.464 1.00 0.00 C ATOM 293 C ASN A 19 -2.610 -9.439 4.042 1.00 0.00 C ATOM 294 O ASN A 19 -3.790 -9.788 4.098 1.00 0.00 O ATOM 295 CB ASN A 19 -0.864 -9.908 5.773 1.00 0.00 C ATOM 296 CG ASN A 19 -0.045 -10.991 6.448 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.502 -12.124 6.606 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.172 -10.649 6.851 1.00 0.00 N ATOM 0 H ASN A 19 0.384 -9.987 3.623 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.926 -11.378 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.228 -9.046 5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.650 -9.574 6.451 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.769 -11.336 7.312 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.511 -9.699 6.700 1.00 0.00 H new ATOM 305 N ALA A 20 -2.232 -8.237 3.619 1.00 0.00 N ATOM 306 CA ALA A 20 -3.200 -7.236 3.189 1.00 0.00 C ATOM 307 C ALA A 20 -4.062 -7.757 2.044 1.00 0.00 C ATOM 308 O ALA A 20 -5.287 -7.653 2.078 1.00 0.00 O ATOM 309 CB ALA A 20 -2.486 -5.958 2.776 1.00 0.00 C ATOM 0 H ALA A 20 -1.260 -7.933 3.565 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.858 -7.018 4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.220 -5.218 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.921 -5.567 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.805 -6.172 1.953 1.00 0.00 H new ATOM 315 N LYS A 21 -3.414 -8.325 1.032 1.00 0.00 N ATOM 316 CA LYS A 21 -4.120 -8.864 -0.124 1.00 0.00 C ATOM 317 C LYS A 21 -5.089 -9.963 0.298 1.00 0.00 C ATOM 318 O LYS A 21 -6.284 -9.894 0.015 1.00 0.00 O ATOM 319 CB LYS A 21 -3.122 -9.413 -1.146 1.00 0.00 C ATOM 320 CG LYS A 21 -3.573 -9.246 -2.587 1.00 0.00 C ATOM 321 CD LYS A 21 -2.541 -9.794 -3.560 1.00 0.00 C ATOM 322 CE LYS A 21 -2.525 -9.005 -4.858 1.00 0.00 C ATOM 323 NZ LYS A 21 -1.199 -9.071 -5.533 1.00 0.00 N ATOM 0 H LYS A 21 -2.400 -8.424 0.990 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.690 -8.056 -0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.165 -8.909 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.956 -10.472 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.523 -9.760 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.747 -8.190 -2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.553 -9.761 -3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.759 -10.841 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.293 -9.393 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.776 -7.964 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.230 -8.520 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.470 -8.678 -4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.970 -10.062 -5.752 1.00 0.00 H new ATOM 337 N ARG A 22 -4.564 -10.975 0.987 1.00 0.00 N ATOM 338 CA ARG A 22 -5.388 -12.086 1.456 1.00 0.00 C ATOM 339 C ARG A 22 -6.548 -11.567 2.298 1.00 0.00 C ATOM 340 O ARG A 22 -7.692 -11.986 2.127 1.00 0.00 O ATOM 341 CB ARG A 22 -4.548 -13.070 2.272 1.00 0.00 C ATOM 342 CG ARG A 22 -5.066 -14.498 2.223 1.00 0.00 C ATOM 343 CD ARG A 22 -5.862 -14.848 3.470 1.00 0.00 C ATOM 344 NE ARG A 22 -6.340 -16.228 3.446 1.00 0.00 N ATOM 345 CZ ARG A 22 -6.769 -16.883 4.522 1.00 0.00 C ATOM 346 NH1 ARG A 22 -6.780 -16.289 5.709 1.00 0.00 N ATOM 347 NH2 ARG A 22 -7.186 -18.137 4.412 1.00 0.00 N ATOM 0 H ARG A 22 -3.576 -11.048 1.232 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.789 -12.607 0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.522 -13.052 1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.520 -12.738 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.694 -14.628 1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.227 -15.187 2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.240 -14.695 4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.712 -14.172 3.559 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.345 -16.719 2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.458 -15.325 5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.110 -16.796 6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.178 -18.599 3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.515 -18.639 5.237 1.00 0.00 H new ATOM 361 N LEU A 23 -6.240 -10.637 3.195 1.00 0.00 N ATOM 362 CA LEU A 23 -7.250 -10.036 4.056 1.00 0.00 C ATOM 363 C LEU A 23 -8.326 -9.364 3.213 1.00 0.00 C ATOM 364 O LEU A 23 -9.519 -9.590 3.410 1.00 0.00 O ATOM 365 CB LEU A 23 -6.592 -9.013 4.995 1.00 0.00 C ATOM 366 CG LEU A 23 -7.529 -7.965 5.609 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.894 -7.346 6.843 1.00 0.00 C ATOM 368 CD2 LEU A 23 -7.866 -6.882 4.593 1.00 0.00 C ATOM 0 H LEU A 23 -5.295 -10.282 3.345 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.717 -10.817 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.104 -9.554 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.810 -8.493 4.442 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.453 -8.463 5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.571 -6.604 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.699 -8.124 7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.956 -6.865 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.532 -6.149 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.950 -6.388 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.359 -7.332 3.731 1.00 0.00 H new ATOM 380 N LEU A 24 -7.889 -8.531 2.275 1.00 0.00 N ATOM 381 CA LEU A 24 -8.805 -7.814 1.401 1.00 0.00 C ATOM 382 C LEU A 24 -9.651 -8.781 0.583 1.00 0.00 C ATOM 383 O LEU A 24 -10.861 -8.598 0.450 1.00 0.00 O ATOM 384 CB LEU A 24 -8.026 -6.877 0.482 1.00 0.00 C ATOM 385 CG LEU A 24 -7.700 -5.517 1.099 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.468 -4.913 0.453 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.885 -4.579 0.967 1.00 0.00 C ATOM 0 H LEU A 24 -6.903 -8.336 2.102 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.478 -7.222 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.095 -7.363 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.602 -6.720 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.490 -5.664 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.256 -3.946 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.617 -5.578 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.645 -4.781 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.637 -3.615 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.125 -4.442 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.746 -5.005 1.482 1.00 0.00 H new ATOM 399 N THR A 25 -9.017 -9.821 0.047 1.00 0.00 N ATOM 400 CA THR A 25 -9.731 -10.819 -0.740 1.00 0.00 C ATOM 401 C THR A 25 -10.855 -11.426 0.092 1.00 0.00 C ATOM 402 O THR A 25 -11.960 -11.653 -0.401 1.00 0.00 O ATOM 403 CB THR A 25 -8.773 -11.915 -1.211 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.615 -11.351 -1.799 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.392 -12.855 -2.223 1.00 0.00 C ATOM 0 H THR A 25 -8.016 -9.993 0.143 1.00 0.00 H new ATOM 0 HA THR A 25 -10.158 -10.334 -1.618 1.00 0.00 H new ATOM 0 HB THR A 25 -8.522 -12.484 -0.316 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.981 -11.098 -1.096 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.660 -13.608 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.260 -13.345 -1.781 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.702 -12.290 -3.102 1.00 0.00 H new ATOM 413 N VAL A 26 -10.559 -11.665 1.365 1.00 0.00 N ATOM 414 CA VAL A 26 -11.531 -12.225 2.296 1.00 0.00 C ATOM 415 C VAL A 26 -12.476 -11.136 2.800 1.00 0.00 C ATOM 416 O VAL A 26 -13.620 -11.409 3.167 1.00 0.00 O ATOM 417 CB VAL A 26 -10.820 -12.883 3.498 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.828 -13.387 4.524 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.917 -14.013 3.028 1.00 0.00 C ATOM 0 H VAL A 26 -9.645 -11.478 1.778 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.106 -12.983 1.765 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.203 -12.126 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.299 -13.846 5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.426 -12.551 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.482 -14.125 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.423 -14.466 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.514 -14.766 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.165 -13.618 2.345 1.00 0.00 H new ATOM 429 N LYS A 27 -11.982 -9.902 2.812 1.00 0.00 N ATOM 430 CA LYS A 27 -12.765 -8.757 3.264 1.00 0.00 C ATOM 431 C LYS A 27 -13.830 -8.377 2.233 1.00 0.00 C ATOM 432 O LYS A 27 -14.746 -7.612 2.531 1.00 0.00 O ATOM 433 CB LYS A 27 -11.828 -7.574 3.532 1.00 0.00 C ATOM 434 CG LYS A 27 -12.528 -6.279 3.913 1.00 0.00 C ATOM 435 CD LYS A 27 -13.471 -6.464 5.092 1.00 0.00 C ATOM 436 CE LYS A 27 -14.637 -5.490 5.035 1.00 0.00 C ATOM 437 NZ LYS A 27 -15.911 -6.167 4.664 1.00 0.00 N ATOM 0 H LYS A 27 -11.036 -9.668 2.511 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.280 -9.025 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.140 -7.848 4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.226 -7.396 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.782 -5.524 4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.088 -5.905 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.850 -7.486 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.922 -6.322 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.753 -5.006 6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.419 -4.705 4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.621 -5.453 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.745 -6.799 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.257 -6.722 5.472 1.00 0.00 H new ATOM 451 N LYS A 28 -13.707 -8.926 1.025 1.00 0.00 N ATOM 452 CA LYS A 28 -14.663 -8.655 -0.047 1.00 0.00 C ATOM 453 C LYS A 28 -14.598 -7.197 -0.498 1.00 0.00 C ATOM 454 O LYS A 28 -15.611 -6.497 -0.516 1.00 0.00 O ATOM 455 CB LYS A 28 -16.084 -8.998 0.409 1.00 0.00 C ATOM 456 CG LYS A 28 -16.218 -10.403 0.972 1.00 0.00 C ATOM 457 CD LYS A 28 -16.616 -11.400 -0.105 1.00 0.00 C ATOM 458 CE LYS A 28 -15.990 -12.763 0.141 1.00 0.00 C ATOM 459 NZ LYS A 28 -16.437 -13.768 -0.863 1.00 0.00 N ATOM 0 H LYS A 28 -12.953 -9.562 0.764 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.396 -9.284 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.397 -8.280 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.765 -8.887 -0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.272 -10.708 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.964 -10.408 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.701 -11.496 -0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.306 -11.027 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.904 -12.675 0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.252 -13.108 1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.988 -14.684 -0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.471 -13.871 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.165 -13.452 -1.816 1.00 0.00 H new ATOM 473 N GLN A 29 -13.404 -6.748 -0.870 1.00 0.00 N ATOM 474 CA GLN A 29 -13.216 -5.376 -1.326 1.00 0.00 C ATOM 475 C GLN A 29 -12.307 -5.326 -2.552 1.00 0.00 C ATOM 476 O GLN A 29 -11.255 -5.963 -2.575 1.00 0.00 O ATOM 477 CB GLN A 29 -12.617 -4.519 -0.207 1.00 0.00 C ATOM 478 CG GLN A 29 -13.623 -3.594 0.460 1.00 0.00 C ATOM 479 CD GLN A 29 -14.858 -4.327 0.949 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.795 -5.112 1.894 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.990 -4.072 0.304 1.00 0.00 N ATOM 0 H GLN A 29 -12.554 -7.312 -0.865 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.193 -4.979 -1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.183 -5.175 0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.802 -3.921 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.146 -3.092 1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.921 -2.819 -0.246 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.996 -3.413 -0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.854 -4.535 0.587 1.00 0.00 H new ATOM 490 N PRO A 30 -12.689 -4.550 -3.584 1.00 0.00 N ATOM 491 CA PRO A 30 -11.884 -4.410 -4.798 1.00 0.00 C ATOM 492 C PRO A 30 -10.728 -3.452 -4.574 1.00 0.00 C ATOM 493 O PRO A 30 -10.913 -2.379 -4.000 1.00 0.00 O ATOM 494 CB PRO A 30 -12.876 -3.813 -5.790 1.00 0.00 C ATOM 495 CG PRO A 30 -13.752 -2.966 -4.939 1.00 0.00 C ATOM 496 CD PRO A 30 -13.916 -3.728 -3.647 1.00 0.00 C ATOM 0 HA PRO A 30 -11.439 -5.349 -5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.372 -3.225 -6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.444 -4.588 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.303 -1.988 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.716 -2.793 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.996 -3.058 -2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.815 -4.345 -3.654 1.00 0.00 H new ATOM 504 N PHE A 31 -9.534 -3.828 -5.010 1.00 0.00 N ATOM 505 CA PHE A 31 -8.380 -2.967 -4.820 1.00 0.00 C ATOM 506 C PHE A 31 -7.352 -3.104 -5.937 1.00 0.00 C ATOM 507 O PHE A 31 -7.431 -4.010 -6.768 1.00 0.00 O ATOM 508 CB PHE A 31 -7.729 -3.257 -3.493 1.00 0.00 C ATOM 509 CG PHE A 31 -7.130 -4.619 -3.440 1.00 0.00 C ATOM 510 CD1 PHE A 31 -7.942 -5.721 -3.276 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.770 -4.801 -3.583 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.411 -6.990 -3.250 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.226 -6.068 -3.557 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.048 -7.168 -3.391 1.00 0.00 C ATOM 0 H PHE A 31 -9.342 -4.708 -5.489 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.746 -1.940 -4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.954 -2.515 -3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.469 -3.157 -2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.008 -5.587 -3.167 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.126 -3.944 -3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.058 -7.845 -3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.160 -6.201 -3.666 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.626 -8.162 -3.372 1.00 0.00 H new ATOM 524 N GLU A 32 -6.376 -2.200 -5.934 1.00 0.00 N ATOM 525 CA GLU A 32 -5.310 -2.209 -6.930 1.00 0.00 C ATOM 526 C GLU A 32 -3.957 -1.951 -6.275 1.00 0.00 C ATOM 527 O GLU A 32 -3.812 -1.039 -5.460 1.00 0.00 O ATOM 528 CB GLU A 32 -5.575 -1.158 -8.012 1.00 0.00 C ATOM 529 CG GLU A 32 -5.871 -1.758 -9.378 1.00 0.00 C ATOM 530 CD GLU A 32 -6.334 -0.722 -10.384 1.00 0.00 C ATOM 531 OE1 GLU A 32 -5.609 0.276 -10.584 1.00 0.00 O ATOM 532 OE2 GLU A 32 -7.420 -0.909 -10.971 1.00 0.00 O ATOM 0 H GLU A 32 -6.302 -1.448 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.291 -3.195 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.417 -0.537 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.708 -0.503 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.975 -2.250 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.637 -2.526 -9.275 1.00 0.00 H new ATOM 539 N PHE A 33 -2.970 -2.765 -6.634 1.00 0.00 N ATOM 540 CA PHE A 33 -1.629 -2.640 -6.084 1.00 0.00 C ATOM 541 C PHE A 33 -0.775 -1.694 -6.920 1.00 0.00 C ATOM 542 O PHE A 33 -1.098 -1.394 -8.069 1.00 0.00 O ATOM 543 CB PHE A 33 -0.969 -4.017 -6.032 1.00 0.00 C ATOM 544 CG PHE A 33 0.126 -4.112 -5.018 1.00 0.00 C ATOM 545 CD1 PHE A 33 -0.159 -3.986 -3.672 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.435 -4.324 -5.411 1.00 0.00 C ATOM 547 CE1 PHE A 33 0.848 -4.066 -2.729 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.448 -4.407 -4.474 1.00 0.00 C ATOM 549 CZ PHE A 33 2.152 -4.277 -3.130 1.00 0.00 C ATOM 0 H PHE A 33 -3.077 -3.523 -7.308 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.708 -2.227 -5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.727 -4.767 -5.808 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.565 -4.256 -7.016 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.178 -3.823 -3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.668 -4.426 -6.461 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.615 -3.964 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.467 -4.573 -4.791 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.940 -4.340 -2.394 1.00 0.00 H new ATOM 559 N ILE A 34 0.326 -1.237 -6.331 1.00 0.00 N ATOM 560 CA ILE A 34 1.247 -0.335 -7.009 1.00 0.00 C ATOM 561 C ILE A 34 2.677 -0.615 -6.579 1.00 0.00 C ATOM 562 O ILE A 34 3.020 -0.521 -5.401 1.00 0.00 O ATOM 563 CB ILE A 34 0.918 1.140 -6.734 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.584 1.378 -6.877 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.697 2.043 -7.678 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.026 2.753 -6.436 1.00 0.00 C ATOM 0 H ILE A 34 0.602 -1.479 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 34 1.138 -0.516 -8.078 1.00 0.00 H new ATOM 0 HB ILE A 34 1.212 1.381 -5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.868 1.232 -7.919 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.119 0.629 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.452 3.085 -7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.766 1.885 -7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.432 1.807 -8.709 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.104 2.848 -6.567 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.774 2.897 -5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.520 3.508 -7.037 1.00 0.00 H new ATOM 578 N ASN A 35 3.498 -0.972 -7.548 1.00 0.00 N ATOM 579 CA ASN A 35 4.899 -1.288 -7.297 1.00 0.00 C ATOM 580 C ASN A 35 5.743 -0.020 -7.223 1.00 0.00 C ATOM 581 O ASN A 35 5.775 0.773 -8.163 1.00 0.00 O ATOM 582 CB ASN A 35 5.439 -2.212 -8.389 1.00 0.00 C ATOM 583 CG ASN A 35 5.220 -3.678 -8.064 1.00 0.00 C ATOM 584 OD1 ASN A 35 5.231 -4.075 -6.900 1.00 0.00 O ATOM 585 ND2 ASN A 35 5.020 -4.490 -9.095 1.00 0.00 N ATOM 0 H ASN A 35 3.220 -1.052 -8.526 1.00 0.00 H new ATOM 0 HA ASN A 35 4.961 -1.797 -6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.952 -1.975 -9.335 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.505 -2.027 -8.524 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.867 -5.486 -8.938 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.019 -4.118 -10.045 1.00 0.00 H new ATOM 592 N ILE A 36 6.427 0.159 -6.099 1.00 0.00 N ATOM 593 CA ILE A 36 7.276 1.327 -5.894 1.00 0.00 C ATOM 594 C ILE A 36 8.721 1.045 -6.296 1.00 0.00 C ATOM 595 O ILE A 36 9.513 1.970 -6.478 1.00 0.00 O ATOM 596 CB ILE A 36 7.250 1.786 -4.423 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.779 0.681 -3.506 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.840 2.188 -4.018 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.443 1.203 -2.252 1.00 0.00 C ATOM 0 H ILE A 36 6.410 -0.492 -5.314 1.00 0.00 H new ATOM 0 HA ILE A 36 6.876 2.119 -6.528 1.00 0.00 H new ATOM 0 HB ILE A 36 7.899 2.655 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.953 0.027 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.494 0.072 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.838 2.510 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.499 3.007 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.171 1.336 -4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.794 0.365 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.290 1.833 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.725 1.788 -1.677 1.00 0.00 H new ATOM 611 N MET A 37 9.068 -0.234 -6.426 1.00 0.00 N ATOM 612 CA MET A 37 10.424 -0.614 -6.796 1.00 0.00 C ATOM 613 C MET A 37 10.438 -1.509 -8.032 1.00 0.00 C ATOM 614 O MET A 37 10.466 -2.734 -7.921 1.00 0.00 O ATOM 615 CB MET A 37 11.118 -1.323 -5.628 1.00 0.00 C ATOM 616 CG MET A 37 12.482 -1.899 -5.985 1.00 0.00 C ATOM 617 SD MET A 37 13.810 -1.285 -4.928 1.00 0.00 S ATOM 618 CE MET A 37 13.146 -1.626 -3.300 1.00 0.00 C ATOM 0 H MET A 37 8.432 -1.018 -6.281 1.00 0.00 H new ATOM 0 HA MET A 37 10.968 0.300 -7.035 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.235 -0.618 -4.805 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.476 -2.128 -5.270 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.441 -2.986 -5.912 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.711 -1.658 -7.023 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.943 -1.554 -2.560 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.366 -0.901 -3.066 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.724 -2.631 -3.282 1.00 0.00 H new ATOM 628 N PRO A 38 10.433 -0.902 -9.229 1.00 0.00 N ATOM 629 CA PRO A 38 10.464 -1.639 -10.493 1.00 0.00 C ATOM 630 C PRO A 38 11.874 -2.120 -10.833 1.00 0.00 C ATOM 631 O PRO A 38 12.075 -2.850 -11.803 1.00 0.00 O ATOM 632 CB PRO A 38 9.993 -0.599 -11.505 1.00 0.00 C ATOM 633 CG PRO A 38 10.455 0.702 -10.944 1.00 0.00 C ATOM 634 CD PRO A 38 10.410 0.555 -9.443 1.00 0.00 C ATOM 0 HA PRO A 38 9.851 -2.540 -10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.422 -0.781 -12.490 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.909 -0.619 -11.620 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.465 0.935 -11.282 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.812 1.518 -11.274 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.262 1.042 -8.968 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.511 1.006 -9.024 1.00 0.00 H new ATOM 642 N GLU A 39 12.844 -1.704 -10.021 1.00 0.00 N ATOM 643 CA GLU A 39 14.236 -2.085 -10.219 1.00 0.00 C ATOM 644 C GLU A 39 14.896 -2.387 -8.881 1.00 0.00 C ATOM 645 O GLU A 39 14.727 -1.644 -7.914 1.00 0.00 O ATOM 646 CB GLU A 39 14.999 -0.969 -10.937 1.00 0.00 C ATOM 647 CG GLU A 39 14.719 -0.903 -12.430 1.00 0.00 C ATOM 648 CD GLU A 39 15.732 -0.057 -13.175 1.00 0.00 C ATOM 649 OE1 GLU A 39 16.822 -0.577 -13.494 1.00 0.00 O ATOM 650 OE2 GLU A 39 15.437 1.128 -13.440 1.00 0.00 O ATOM 0 H GLU A 39 12.687 -1.099 -9.215 1.00 0.00 H new ATOM 0 HA GLU A 39 14.263 -2.982 -10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.738 -0.012 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.068 -1.114 -10.782 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.721 -1.912 -12.841 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.721 -0.495 -12.591 1.00 0.00 H new ATOM 657 N LYS A 40 15.651 -3.482 -8.827 1.00 0.00 N ATOM 658 CA LYS A 40 16.329 -3.875 -7.594 1.00 0.00 C ATOM 659 C LYS A 40 17.322 -2.822 -7.134 1.00 0.00 C ATOM 660 O LYS A 40 17.866 -2.895 -6.032 1.00 0.00 O ATOM 661 CB LYS A 40 17.026 -5.225 -7.760 1.00 0.00 C ATOM 662 CG LYS A 40 17.505 -5.821 -6.446 1.00 0.00 C ATOM 663 CD LYS A 40 17.898 -7.280 -6.603 1.00 0.00 C ATOM 664 CE LYS A 40 17.756 -8.037 -5.292 1.00 0.00 C ATOM 665 NZ LYS A 40 16.344 -8.428 -5.027 1.00 0.00 N ATOM 0 H LYS A 40 15.808 -4.109 -9.616 1.00 0.00 H new ATOM 0 HA LYS A 40 15.563 -3.969 -6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.340 -5.924 -8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.878 -5.106 -8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.358 -5.252 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.717 -5.735 -5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.273 -7.747 -7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.928 -7.345 -6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.381 -8.930 -5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.121 -7.417 -4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.246 -8.724 -4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.719 -7.617 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.079 -9.216 -5.651 1.00 0.00 H new ATOM 679 N GLY A 41 17.535 -1.844 -7.982 1.00 0.00 N ATOM 680 CA GLY A 41 18.446 -0.765 -7.671 1.00 0.00 C ATOM 681 C GLY A 41 17.826 0.251 -6.736 1.00 0.00 C ATOM 682 O GLY A 41 18.284 0.426 -5.605 1.00 0.00 O ATOM 0 H GLY A 41 17.089 -1.772 -8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.349 -1.173 -7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.750 -0.270 -8.593 1.00 0.00 H new ATOM 686 N VAL A 42 16.773 0.916 -7.202 1.00 0.00 N ATOM 687 CA VAL A 42 16.090 1.917 -6.392 1.00 0.00 C ATOM 688 C VAL A 42 14.612 2.018 -6.755 1.00 0.00 C ATOM 689 O VAL A 42 14.205 1.632 -7.851 1.00 0.00 O ATOM 690 CB VAL A 42 16.740 3.305 -6.548 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.151 4.285 -5.546 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.250 3.209 -6.385 1.00 0.00 C ATOM 0 H VAL A 42 16.376 0.780 -8.132 1.00 0.00 H new ATOM 0 HA VAL A 42 16.181 1.592 -5.355 1.00 0.00 H new ATOM 0 HB VAL A 42 16.528 3.674 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.622 5.260 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.078 4.376 -5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.330 3.922 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.692 4.199 -6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.485 2.818 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.656 2.541 -7.145 1.00 0.00 H new ATOM 702 N PHE A 43 13.814 2.552 -5.834 1.00 0.00 N ATOM 703 CA PHE A 43 12.379 2.713 -6.070 1.00 0.00 C ATOM 704 C PHE A 43 12.137 3.677 -7.228 1.00 0.00 C ATOM 705 O PHE A 43 13.006 4.478 -7.570 1.00 0.00 O ATOM 706 CB PHE A 43 11.652 3.229 -4.817 1.00 0.00 C ATOM 707 CG PHE A 43 12.358 2.952 -3.518 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.849 1.690 -3.236 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.528 3.958 -2.580 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.497 1.432 -2.043 1.00 0.00 C ATOM 711 CE2 PHE A 43 13.174 3.708 -1.385 1.00 0.00 C ATOM 712 CZ PHE A 43 13.660 2.443 -1.116 1.00 0.00 C ATOM 0 H PHE A 43 14.133 2.879 -4.922 1.00 0.00 H new ATOM 0 HA PHE A 43 11.978 1.730 -6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.510 4.305 -4.914 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.660 2.778 -4.778 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.724 0.896 -3.957 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.151 4.949 -2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.875 0.442 -1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.299 4.500 -0.662 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.166 2.245 -0.183 1.00 0.00 H new ATOM 722 N ASP A 44 10.952 3.599 -7.826 1.00 0.00 N ATOM 723 CA ASP A 44 10.605 4.474 -8.941 1.00 0.00 C ATOM 724 C ASP A 44 10.130 5.833 -8.438 1.00 0.00 C ATOM 725 O ASP A 44 9.201 5.917 -7.634 1.00 0.00 O ATOM 726 CB ASP A 44 9.516 3.838 -9.810 1.00 0.00 C ATOM 727 CG ASP A 44 9.774 4.030 -11.291 1.00 0.00 C ATOM 728 OD1 ASP A 44 10.759 3.457 -11.801 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.992 4.755 -11.942 1.00 0.00 O ATOM 0 H ASP A 44 10.219 2.942 -7.559 1.00 0.00 H new ATOM 0 HA ASP A 44 11.502 4.616 -9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.455 2.772 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.550 4.272 -9.553 1.00 0.00 H new ATOM 734 N ASP A 45 10.763 6.893 -8.924 1.00 0.00 N ATOM 735 CA ASP A 45 10.396 8.248 -8.526 1.00 0.00 C ATOM 736 C ASP A 45 9.014 8.613 -9.060 1.00 0.00 C ATOM 737 O ASP A 45 8.337 9.482 -8.511 1.00 0.00 O ATOM 738 CB ASP A 45 11.435 9.250 -9.035 1.00 0.00 C ATOM 739 CG ASP A 45 11.749 9.059 -10.506 1.00 0.00 C ATOM 740 OD1 ASP A 45 10.805 9.086 -11.324 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.939 8.882 -10.840 1.00 0.00 O ATOM 0 H ASP A 45 11.531 6.842 -9.593 1.00 0.00 H new ATOM 0 HA ASP A 45 10.368 8.288 -7.437 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.068 10.264 -8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.351 9.146 -8.454 1.00 0.00 H new ATOM 746 N GLU A 46 8.598 7.943 -10.133 1.00 0.00 N ATOM 747 CA GLU A 46 7.295 8.197 -10.735 1.00 0.00 C ATOM 748 C GLU A 46 6.179 7.930 -9.733 1.00 0.00 C ATOM 749 O GLU A 46 5.355 8.802 -9.458 1.00 0.00 O ATOM 750 CB GLU A 46 7.101 7.326 -11.978 1.00 0.00 C ATOM 751 CG GLU A 46 5.887 7.712 -12.807 1.00 0.00 C ATOM 752 CD GLU A 46 6.071 7.415 -14.283 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.371 6.251 -14.622 1.00 0.00 O ATOM 754 OE2 GLU A 46 5.914 8.348 -15.100 1.00 0.00 O ATOM 0 H GLU A 46 9.145 7.221 -10.602 1.00 0.00 H new ATOM 0 HA GLU A 46 7.256 9.246 -11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.993 7.393 -12.601 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.005 6.285 -11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.014 7.174 -12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.685 8.775 -12.676 1.00 0.00 H new ATOM 761 N LYS A 47 6.165 6.721 -9.181 1.00 0.00 N ATOM 762 CA LYS A 47 5.156 6.345 -8.198 1.00 0.00 C ATOM 763 C LYS A 47 5.349 7.140 -6.913 1.00 0.00 C ATOM 764 O LYS A 47 4.383 7.578 -6.289 1.00 0.00 O ATOM 765 CB LYS A 47 5.225 4.846 -7.903 1.00 0.00 C ATOM 766 CG LYS A 47 4.391 4.001 -8.852 1.00 0.00 C ATOM 767 CD LYS A 47 4.926 4.067 -10.274 1.00 0.00 C ATOM 768 CE LYS A 47 4.176 3.119 -11.195 1.00 0.00 C ATOM 769 NZ LYS A 47 4.900 1.829 -11.374 1.00 0.00 N ATOM 0 H LYS A 47 6.839 5.987 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 47 4.173 6.573 -8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.264 4.521 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.889 4.669 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.387 2.966 -8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.357 4.346 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.839 5.086 -10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.987 3.816 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.184 2.925 -10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.034 3.593 -12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.356 1.211 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.837 2.011 -11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.014 1.364 -10.451 1.00 0.00 H new ATOM 783 N ILE A 48 6.609 7.331 -6.530 1.00 0.00 N ATOM 784 CA ILE A 48 6.937 8.083 -5.324 1.00 0.00 C ATOM 785 C ILE A 48 6.281 9.461 -5.360 1.00 0.00 C ATOM 786 O ILE A 48 5.674 9.897 -4.383 1.00 0.00 O ATOM 787 CB ILE A 48 8.468 8.240 -5.166 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.111 6.892 -4.830 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.807 9.267 -4.093 1.00 0.00 C ATOM 790 CD1 ILE A 48 10.580 6.819 -5.188 1.00 0.00 C ATOM 0 H ILE A 48 7.419 6.975 -7.038 1.00 0.00 H new ATOM 0 HA ILE A 48 6.554 7.525 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 48 8.869 8.596 -6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.995 6.699 -3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.577 6.102 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.890 9.356 -4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.385 10.233 -4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.390 8.947 -3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.971 5.837 -4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.702 6.981 -6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.127 7.587 -4.640 1.00 0.00 H new ATOM 802 N ALA A 49 6.400 10.136 -6.500 1.00 0.00 N ATOM 803 CA ALA A 49 5.813 11.459 -6.668 1.00 0.00 C ATOM 804 C ALA A 49 4.297 11.394 -6.538 1.00 0.00 C ATOM 805 O ALA A 49 3.694 12.158 -5.784 1.00 0.00 O ATOM 806 CB ALA A 49 6.208 12.045 -8.016 1.00 0.00 C ATOM 0 H ALA A 49 6.897 9.788 -7.320 1.00 0.00 H new ATOM 0 HA ALA A 49 6.196 12.109 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.762 13.033 -8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.293 12.128 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.852 11.394 -8.814 1.00 0.00 H new ATOM 812 N GLU A 50 3.687 10.470 -7.275 1.00 0.00 N ATOM 813 CA GLU A 50 2.240 10.297 -7.240 1.00 0.00 C ATOM 814 C GLU A 50 1.775 9.953 -5.828 1.00 0.00 C ATOM 815 O GLU A 50 0.674 10.319 -5.419 1.00 0.00 O ATOM 816 CB GLU A 50 1.816 9.195 -8.217 1.00 0.00 C ATOM 817 CG GLU A 50 0.384 8.715 -8.021 1.00 0.00 C ATOM 818 CD GLU A 50 -0.399 8.661 -9.318 1.00 0.00 C ATOM 819 OE1 GLU A 50 -0.117 7.770 -10.146 1.00 0.00 O ATOM 820 OE2 GLU A 50 -1.295 9.511 -9.506 1.00 0.00 O ATOM 0 H GLU A 50 4.173 9.830 -7.903 1.00 0.00 H new ATOM 0 HA GLU A 50 1.773 11.235 -7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.929 9.564 -9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.492 8.347 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.396 7.724 -7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.125 9.379 -7.322 1.00 0.00 H new ATOM 827 N LEU A 51 2.625 9.249 -5.088 1.00 0.00 N ATOM 828 CA LEU A 51 2.303 8.859 -3.724 1.00 0.00 C ATOM 829 C LEU A 51 2.210 10.089 -2.831 1.00 0.00 C ATOM 830 O LEU A 51 1.143 10.409 -2.312 1.00 0.00 O ATOM 831 CB LEU A 51 3.365 7.894 -3.191 1.00 0.00 C ATOM 832 CG LEU A 51 3.106 7.346 -1.787 1.00 0.00 C ATOM 833 CD1 LEU A 51 1.681 6.829 -1.666 1.00 0.00 C ATOM 834 CD2 LEU A 51 4.102 6.244 -1.460 1.00 0.00 C ATOM 0 H LEU A 51 3.541 8.938 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 51 1.337 8.355 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.448 7.054 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.328 8.404 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 51 3.236 8.157 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.518 6.444 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.981 7.642 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.521 6.031 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.907 5.863 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.999 5.435 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.115 6.644 -1.505 1.00 0.00 H new ATOM 846 N LEU A 52 3.333 10.787 -2.675 1.00 0.00 N ATOM 847 CA LEU A 52 3.390 11.993 -1.864 1.00 0.00 C ATOM 848 C LEU A 52 2.215 12.913 -2.158 1.00 0.00 C ATOM 849 O LEU A 52 1.617 13.492 -1.251 1.00 0.00 O ATOM 850 CB LEU A 52 4.693 12.690 -2.133 1.00 0.00 C ATOM 851 CG LEU A 52 5.901 11.830 -1.808 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.138 12.641 -1.988 1.00 0.00 C ATOM 853 CD2 LEU A 52 5.816 11.285 -0.389 1.00 0.00 C ATOM 0 H LEU A 52 4.222 10.532 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 52 3.327 11.721 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.733 12.982 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.737 13.607 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 52 5.925 10.976 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.010 12.030 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.200 12.986 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.110 13.501 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.693 10.672 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.777 12.114 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.917 10.678 -0.286 1.00 0.00 H new ATOM 865 N THR A 53 1.877 13.024 -3.438 1.00 0.00 N ATOM 866 CA THR A 53 0.758 13.855 -3.865 1.00 0.00 C ATOM 867 C THR A 53 -0.551 13.257 -3.366 1.00 0.00 C ATOM 868 O THR A 53 -1.489 13.978 -3.023 1.00 0.00 O ATOM 869 CB THR A 53 0.734 13.975 -5.389 1.00 0.00 C ATOM 870 OG1 THR A 53 1.984 14.426 -5.878 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.328 14.928 -5.896 1.00 0.00 C ATOM 0 H THR A 53 2.363 12.548 -4.198 1.00 0.00 H new ATOM 0 HA THR A 53 0.879 14.852 -3.441 1.00 0.00 H new ATOM 0 HB THR A 53 0.507 12.973 -5.754 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.625 13.685 -5.870 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.292 14.967 -6.985 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.311 14.580 -5.578 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.147 15.924 -5.491 1.00 0.00 H new ATOM 879 N LYS A 54 -0.596 11.930 -3.320 1.00 0.00 N ATOM 880 CA LYS A 54 -1.774 11.213 -2.852 1.00 0.00 C ATOM 881 C LYS A 54 -2.002 11.473 -1.366 1.00 0.00 C ATOM 882 O LYS A 54 -3.109 11.814 -0.947 1.00 0.00 O ATOM 883 CB LYS A 54 -1.610 9.711 -3.107 1.00 0.00 C ATOM 884 CG LYS A 54 -2.871 8.907 -2.843 1.00 0.00 C ATOM 885 CD LYS A 54 -3.932 9.168 -3.898 1.00 0.00 C ATOM 886 CE LYS A 54 -5.068 8.162 -3.807 1.00 0.00 C ATOM 887 NZ LYS A 54 -6.199 8.518 -4.707 1.00 0.00 N ATOM 0 H LYS A 54 0.176 11.327 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.643 11.573 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.302 9.558 -4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.807 9.330 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.629 7.844 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.265 9.161 -1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.327 10.177 -3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.481 9.120 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.696 7.171 -4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.425 8.110 -2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.953 7.807 -4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.571 9.453 -4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.865 8.543 -5.691 1.00 0.00 H new ATOM 901 N LEU A 55 -0.943 11.317 -0.575 1.00 0.00 N ATOM 902 CA LEU A 55 -1.019 11.538 0.863 1.00 0.00 C ATOM 903 C LEU A 55 -1.455 12.966 1.181 1.00 0.00 C ATOM 904 O LEU A 55 -2.005 13.234 2.249 1.00 0.00 O ATOM 905 CB LEU A 55 0.332 11.257 1.504 1.00 0.00 C ATOM 906 CG LEU A 55 0.792 9.810 1.378 1.00 0.00 C ATOM 907 CD1 LEU A 55 1.701 9.645 0.177 1.00 0.00 C ATOM 908 CD2 LEU A 55 1.490 9.360 2.647 1.00 0.00 C ATOM 0 H LEU A 55 -0.021 11.038 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.765 10.855 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.080 11.906 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.283 11.520 2.561 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.086 9.180 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.020 8.605 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.162 9.925 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.575 10.286 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.811 8.324 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.359 9.992 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.802 9.440 3.489 1.00 0.00 H new ATOM 920 N GLY A 56 -1.199 13.880 0.250 1.00 0.00 N ATOM 921 CA GLY A 56 -1.568 15.269 0.451 1.00 0.00 C ATOM 922 C GLY A 56 -0.466 16.072 1.115 1.00 0.00 C ATOM 923 O GLY A 56 -0.739 17.029 1.840 1.00 0.00 O ATOM 0 H GLY A 56 -0.742 13.683 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.812 15.720 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.468 15.318 1.064 1.00 0.00 H new ATOM 927 N ARG A 57 0.780 15.681 0.868 1.00 0.00 N ATOM 928 CA ARG A 57 1.928 16.372 1.448 1.00 0.00 C ATOM 929 C ARG A 57 3.143 16.274 0.529 1.00 0.00 C ATOM 930 O ARG A 57 3.065 15.706 -0.559 1.00 0.00 O ATOM 931 CB ARG A 57 2.263 15.789 2.822 1.00 0.00 C ATOM 932 CG ARG A 57 2.253 14.269 2.858 1.00 0.00 C ATOM 933 CD ARG A 57 3.051 13.735 4.038 1.00 0.00 C ATOM 934 NE ARG A 57 2.188 13.350 5.153 1.00 0.00 N ATOM 935 CZ ARG A 57 1.733 14.202 6.069 1.00 0.00 C ATOM 936 NH1 ARG A 57 2.053 15.489 6.010 1.00 0.00 N ATOM 937 NH2 ARG A 57 0.953 13.766 7.049 1.00 0.00 N ATOM 0 H ARG A 57 1.021 14.890 0.271 1.00 0.00 H new ATOM 0 HA ARG A 57 1.666 17.424 1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.247 16.145 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.546 16.166 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.225 13.912 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.669 13.879 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.637 12.873 3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.757 14.495 4.372 1.00 0.00 H new ATOM 0 HE ARG A 57 1.918 12.370 5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.652 15.832 5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.700 16.135 6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.702 12.779 7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.604 14.418 7.751 1.00 0.00 H new ATOM 951 N ASP A 58 4.263 16.835 0.975 1.00 0.00 N ATOM 952 CA ASP A 58 5.493 16.811 0.191 1.00 0.00 C ATOM 953 C ASP A 58 6.517 15.863 0.809 1.00 0.00 C ATOM 954 O ASP A 58 7.121 15.047 0.113 1.00 0.00 O ATOM 955 CB ASP A 58 6.082 18.219 0.085 1.00 0.00 C ATOM 956 CG ASP A 58 5.648 18.933 -1.180 1.00 0.00 C ATOM 957 OD1 ASP A 58 4.430 19.147 -1.354 1.00 0.00 O ATOM 958 OD2 ASP A 58 6.527 19.280 -1.997 1.00 0.00 O ATOM 0 H ASP A 58 4.344 17.311 1.874 1.00 0.00 H new ATOM 0 HA ASP A 58 5.249 16.450 -0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.776 18.804 0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.170 18.158 0.109 1.00 0.00 H new ATOM 963 N THR A 59 6.709 15.980 2.119 1.00 0.00 N ATOM 964 CA THR A 59 7.661 15.132 2.827 1.00 0.00 C ATOM 965 C THR A 59 6.973 13.891 3.385 1.00 0.00 C ATOM 966 O THR A 59 5.753 13.866 3.547 1.00 0.00 O ATOM 967 CB THR A 59 8.326 15.914 3.961 1.00 0.00 C ATOM 968 OG1 THR A 59 9.289 15.114 4.623 1.00 0.00 O ATOM 969 CG2 THR A 59 7.346 16.410 5.001 1.00 0.00 C ATOM 0 H THR A 59 6.220 16.652 2.710 1.00 0.00 H new ATOM 0 HA THR A 59 8.425 14.814 2.117 1.00 0.00 H new ATOM 0 HB THR A 59 8.790 16.777 3.484 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.705 15.632 5.344 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.883 16.956 5.776 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.619 17.071 4.530 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.829 15.561 5.448 1.00 0.00 H new ATOM 977 N GLN A 60 7.764 12.865 3.681 1.00 0.00 N ATOM 978 CA GLN A 60 7.232 11.620 4.224 1.00 0.00 C ATOM 979 C GLN A 60 7.609 11.469 5.692 1.00 0.00 C ATOM 980 O GLN A 60 8.723 11.060 6.023 1.00 0.00 O ATOM 981 CB GLN A 60 7.756 10.423 3.430 1.00 0.00 C ATOM 982 CG GLN A 60 9.220 10.541 3.037 1.00 0.00 C ATOM 983 CD GLN A 60 9.404 11.075 1.630 1.00 0.00 C ATOM 984 OE1 GLN A 60 9.432 12.286 1.411 1.00 0.00 O ATOM 985 NE2 GLN A 60 9.529 10.170 0.666 1.00 0.00 N ATOM 0 H GLN A 60 8.776 12.871 3.554 1.00 0.00 H new ATOM 0 HA GLN A 60 6.146 11.652 4.142 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.620 9.518 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.156 10.306 2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.730 11.199 3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.694 9.562 3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.500 9.176 0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.654 10.469 -0.301 1.00 0.00 H new ATOM 994 N ILE A 61 6.670 11.800 6.565 1.00 0.00 N ATOM 995 CA ILE A 61 6.888 11.707 8.003 1.00 0.00 C ATOM 996 C ILE A 61 6.726 10.273 8.495 1.00 0.00 C ATOM 997 O ILE A 61 5.660 9.889 8.977 1.00 0.00 O ATOM 998 CB ILE A 61 5.915 12.616 8.780 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.912 14.026 8.183 1.00 0.00 C ATOM 1000 CG2 ILE A 61 6.290 12.658 10.253 1.00 0.00 C ATOM 1001 CD1 ILE A 61 4.674 14.334 7.369 1.00 0.00 C ATOM 0 H ILE A 61 5.744 12.137 6.302 1.00 0.00 H new ATOM 0 HA ILE A 61 7.910 12.038 8.187 1.00 0.00 H new ATOM 0 HB ILE A 61 4.910 12.204 8.694 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.997 14.754 8.990 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.792 14.146 7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.593 13.304 10.788 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.244 11.652 10.669 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.302 13.049 10.360 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.740 15.349 6.977 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.598 13.629 6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.791 14.246 8.002 1.00 0.00 H new ATOM 1013 N GLY A 62 7.790 9.488 8.373 1.00 0.00 N ATOM 1014 CA GLY A 62 7.746 8.106 8.811 1.00 0.00 C ATOM 1015 C GLY A 62 6.881 7.240 7.915 1.00 0.00 C ATOM 1016 O GLY A 62 6.391 6.194 8.339 1.00 0.00 O ATOM 0 H GLY A 62 8.683 9.784 7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.758 7.703 8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.364 8.063 9.831 1.00 0.00 H new ATOM 1020 N LEU A 63 6.693 7.677 6.674 1.00 0.00 N ATOM 1021 CA LEU A 63 5.882 6.931 5.719 1.00 0.00 C ATOM 1022 C LEU A 63 6.591 5.650 5.290 1.00 0.00 C ATOM 1023 O LEU A 63 7.769 5.669 4.934 1.00 0.00 O ATOM 1024 CB LEU A 63 5.568 7.797 4.497 1.00 0.00 C ATOM 1025 CG LEU A 63 4.084 7.892 4.139 1.00 0.00 C ATOM 1026 CD1 LEU A 63 3.490 6.504 3.963 1.00 0.00 C ATOM 1027 CD2 LEU A 63 3.328 8.664 5.208 1.00 0.00 C ATOM 0 H LEU A 63 7.090 8.542 6.307 1.00 0.00 H new ATOM 0 HA LEU A 63 4.946 6.658 6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.949 8.803 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.109 7.398 3.639 1.00 0.00 H new ATOM 0 HG LEU A 63 3.990 8.429 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.434 6.590 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.015 5.982 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.595 5.943 4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.274 8.722 4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.429 8.153 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.738 9.671 5.288 1.00 0.00 H new ATOM 1039 N THR A 64 5.864 4.539 5.332 1.00 0.00 N ATOM 1040 CA THR A 64 6.424 3.249 4.954 1.00 0.00 C ATOM 1041 C THR A 64 5.507 2.510 3.984 1.00 0.00 C ATOM 1042 O THR A 64 4.369 2.918 3.752 1.00 0.00 O ATOM 1043 CB THR A 64 6.666 2.392 6.197 1.00 0.00 C ATOM 1044 OG1 THR A 64 6.951 3.207 7.321 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.809 1.414 6.038 1.00 0.00 C ATOM 0 H THR A 64 4.887 4.507 5.624 1.00 0.00 H new ATOM 0 HA THR A 64 7.374 3.432 4.452 1.00 0.00 H new ATOM 0 HB THR A 64 5.745 1.828 6.341 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.101 2.640 8.106 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.926 0.838 6.956 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.597 0.737 5.210 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.730 1.960 5.833 1.00 0.00 H new ATOM 1053 N MET A 65 6.012 1.415 3.427 1.00 0.00 N ATOM 1054 CA MET A 65 5.244 0.610 2.490 1.00 0.00 C ATOM 1055 C MET A 65 4.797 -0.696 3.139 1.00 0.00 C ATOM 1056 O MET A 65 5.426 -1.176 4.082 1.00 0.00 O ATOM 1057 CB MET A 65 6.066 0.321 1.232 1.00 0.00 C ATOM 1058 CG MET A 65 6.080 1.471 0.237 1.00 0.00 C ATOM 1059 SD MET A 65 7.365 2.685 0.591 1.00 0.00 S ATOM 1060 CE MET A 65 6.410 4.200 0.614 1.00 0.00 C ATOM 0 H MET A 65 6.953 1.065 3.610 1.00 0.00 H new ATOM 0 HA MET A 65 4.356 1.175 2.205 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.091 0.090 1.523 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.666 -0.567 0.743 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.228 1.075 -0.768 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.108 1.964 0.245 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.048 5.027 0.926 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.019 4.399 -0.384 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.581 4.097 1.314 1.00 0.00 H new ATOM 1070 N PRO A 66 3.692 -1.283 2.652 1.00 0.00 N ATOM 1071 CA PRO A 66 2.913 -0.747 1.537 1.00 0.00 C ATOM 1072 C PRO A 66 1.957 0.363 1.962 1.00 0.00 C ATOM 1073 O PRO A 66 1.252 0.245 2.965 1.00 0.00 O ATOM 1074 CB PRO A 66 2.123 -1.964 1.026 1.00 0.00 C ATOM 1075 CG PRO A 66 2.555 -3.119 1.874 1.00 0.00 C ATOM 1076 CD PRO A 66 3.112 -2.533 3.136 1.00 0.00 C ATOM 0 HA PRO A 66 3.557 -0.291 0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.049 -1.797 1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.333 -2.152 -0.027 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.714 -3.778 2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.306 -3.719 1.360 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.338 -2.362 3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.860 -3.181 3.593 1.00 0.00 H new ATOM 1084 N GLN A 67 1.927 1.434 1.175 1.00 0.00 N ATOM 1085 CA GLN A 67 1.050 2.566 1.450 1.00 0.00 C ATOM 1086 C GLN A 67 -0.294 2.383 0.751 1.00 0.00 C ATOM 1087 O GLN A 67 -0.360 2.322 -0.474 1.00 0.00 O ATOM 1088 CB GLN A 67 1.713 3.866 0.989 1.00 0.00 C ATOM 1089 CG GLN A 67 1.776 4.930 2.070 1.00 0.00 C ATOM 1090 CD GLN A 67 0.401 5.349 2.548 1.00 0.00 C ATOM 1091 OE1 GLN A 67 -0.190 6.289 2.021 1.00 0.00 O ATOM 1092 NE2 GLN A 67 -0.114 4.650 3.553 1.00 0.00 N ATOM 0 H GLN A 67 2.502 1.541 0.339 1.00 0.00 H new ATOM 0 HA GLN A 67 0.876 2.619 2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.724 3.647 0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.165 4.261 0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.352 4.552 2.915 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.306 5.802 1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.413 3.877 3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.037 4.886 3.918 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.363 2.284 1.534 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.695 2.090 0.972 1.00 0.00 C ATOM 1103 C VAL A 68 -3.518 3.376 0.985 1.00 0.00 C ATOM 1104 O VAL A 68 -3.223 4.314 1.727 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.474 0.991 1.722 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.623 0.474 0.869 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.548 -0.150 2.125 1.00 0.00 C ATOM 0 H VAL A 68 -1.334 2.334 2.552 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.541 1.782 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.889 1.427 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.161 -0.301 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.303 1.294 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.229 0.058 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.120 -0.913 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.098 -0.586 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.763 0.232 2.778 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.561 3.406 0.155 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.434 4.569 0.062 1.00 0.00 C ATOM 1119 C PHE A 69 -6.887 4.147 -0.140 1.00 0.00 C ATOM 1120 O PHE A 69 -7.165 3.047 -0.619 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.984 5.465 -1.086 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.658 6.102 -0.824 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -2.487 5.460 -1.183 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -3.585 7.333 -0.201 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -1.261 6.038 -0.929 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -2.362 7.919 0.056 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.196 7.271 -0.308 1.00 0.00 C ATOM 0 H PHE A 69 -4.819 2.636 -0.462 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.368 5.124 0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.927 4.877 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.731 6.241 -1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -2.533 4.496 -1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.493 7.841 0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.353 5.528 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.316 8.883 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.238 7.727 -0.108 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.806 5.020 0.251 1.00 0.00 N ATOM 1138 CA ALA A 70 -9.236 4.738 0.140 1.00 0.00 C ATOM 1139 C ALA A 70 -9.697 4.637 -1.312 1.00 0.00 C ATOM 1140 O ALA A 70 -9.070 5.191 -2.216 1.00 0.00 O ATOM 1141 CB ALA A 70 -10.036 5.805 0.869 1.00 0.00 C ATOM 0 H ALA A 70 -7.588 5.933 0.650 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.412 3.767 0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.100 5.586 0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.754 5.815 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.828 6.780 0.428 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.816 3.925 -1.546 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.389 3.751 -2.887 1.00 0.00 C ATOM 1149 C PRO A 71 -11.725 5.088 -3.537 1.00 0.00 C ATOM 1150 O PRO A 71 -11.524 5.276 -4.737 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.668 2.946 -2.627 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.434 2.273 -1.323 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.619 3.241 -0.517 1.00 0.00 C ATOM 0 HA PRO A 71 -10.697 3.260 -3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.543 3.595 -2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.847 2.220 -3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.376 2.042 -0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.905 1.330 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.249 3.939 0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.991 2.731 0.214 1.00 0.00 H new ATOM 1161 N ASP A 72 -12.233 6.015 -2.732 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.596 7.341 -3.222 1.00 0.00 C ATOM 1163 C ASP A 72 -11.429 8.317 -3.083 1.00 0.00 C ATOM 1164 O ASP A 72 -11.428 9.386 -3.695 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.812 7.870 -2.458 1.00 0.00 C ATOM 1166 CG ASP A 72 -13.538 8.039 -0.977 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -12.815 8.989 -0.611 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -14.047 7.221 -0.182 1.00 0.00 O ATOM 0 H ASP A 72 -12.403 5.873 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.845 7.254 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.114 8.829 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.649 7.185 -2.594 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.438 7.949 -2.274 1.00 0.00 N ATOM 1174 CA GLY A 73 -9.288 8.810 -2.077 1.00 0.00 C ATOM 1175 C GLY A 73 -9.126 9.247 -0.634 1.00 0.00 C ATOM 1176 O GLY A 73 -9.632 10.297 -0.237 1.00 0.00 O ATOM 0 H GLY A 73 -10.412 7.072 -1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.387 8.286 -2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.386 9.691 -2.711 1.00 0.00 H new ATOM 1180 N SER A 74 -8.420 8.442 0.153 1.00 0.00 N ATOM 1181 CA SER A 74 -8.190 8.755 1.560 1.00 0.00 C ATOM 1182 C SER A 74 -7.054 7.908 2.129 1.00 0.00 C ATOM 1183 O SER A 74 -7.089 6.680 2.071 1.00 0.00 O ATOM 1184 CB SER A 74 -9.467 8.532 2.372 1.00 0.00 C ATOM 1185 OG SER A 74 -10.606 8.469 1.532 1.00 0.00 O ATOM 0 H SER A 74 -7.997 7.568 -0.159 1.00 0.00 H new ATOM 0 HA SER A 74 -7.905 9.805 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.381 7.607 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.588 9.341 3.093 1.00 0.00 H new ATOM 0 HG SER A 74 -11.407 8.324 2.078 1.00 0.00 H new ATOM 1191 N HIS A 75 -6.047 8.579 2.679 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.895 7.901 3.264 1.00 0.00 C ATOM 1193 C HIS A 75 -5.327 6.949 4.376 1.00 0.00 C ATOM 1194 O HIS A 75 -5.766 7.385 5.440 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.911 8.936 3.815 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.571 8.376 4.168 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.640 9.042 4.934 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -2.005 7.187 3.841 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.561 8.257 5.045 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.732 7.119 4.401 1.00 0.00 N ATOM 0 H HIS A 75 -6.006 9.597 2.732 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.408 7.315 2.485 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.779 9.726 3.076 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -4.345 9.398 4.702 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.753 9.969 5.344 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.468 6.417 3.242 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.333 8.521 5.591 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.196 5.648 4.127 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.575 4.642 5.115 1.00 0.00 C ATOM 1210 C ILE A 76 -4.400 4.296 6.022 1.00 0.00 C ATOM 1211 O ILE A 76 -4.530 4.286 7.246 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.085 3.350 4.446 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.202 3.667 3.453 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.569 2.358 5.497 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.340 2.633 2.357 1.00 0.00 C ATOM 0 H ILE A 76 -4.832 5.267 3.254 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.380 5.075 5.708 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.258 2.895 3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.147 3.744 3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.012 4.641 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.925 1.452 5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.747 2.108 6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.382 2.803 6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.151 2.919 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.408 2.573 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.560 1.661 2.799 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.256 4.002 5.413 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.076 3.652 6.182 1.00 0.00 C ATOM 1229 C GLY A 77 -1.444 2.357 5.714 1.00 0.00 C ATOM 1230 O GLY A 77 -1.591 1.968 4.556 1.00 0.00 O ATOM 0 H GLY A 77 -3.125 4.000 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.345 4.457 6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.345 3.562 7.234 1.00 0.00 H new ATOM 1234 N GLY A 78 -0.737 1.693 6.619 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.087 0.439 6.282 1.00 0.00 C ATOM 1236 C GLY A 78 -1.012 -0.752 6.449 1.00 0.00 C ATOM 1237 O GLY A 78 -2.210 -0.656 6.186 1.00 0.00 O ATOM 0 H GLY A 78 -0.601 2.000 7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.266 0.481 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.791 0.306 6.914 1.00 0.00 H new ATOM 1241 N PHE A 79 -0.457 -1.877 6.890 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.248 -3.085 7.093 1.00 0.00 C ATOM 1243 C PHE A 79 -2.167 -2.933 8.301 1.00 0.00 C ATOM 1244 O PHE A 79 -3.388 -3.010 8.178 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.337 -4.302 7.281 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.088 -5.574 7.558 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.094 -6.000 6.705 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -0.794 -6.340 8.676 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -2.792 -7.167 6.961 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.488 -7.508 8.936 1.00 0.00 C ATOM 1251 CZ PHE A 79 -2.488 -7.921 8.078 1.00 0.00 C ATOM 0 H PHE A 79 0.533 -1.977 7.113 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.861 -3.238 6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.269 -4.435 6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.350 -4.108 8.105 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.336 -5.414 5.830 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.014 -6.021 9.352 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.574 -7.488 6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.248 -8.096 9.809 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.032 -8.832 8.280 1.00 0.00 H new ATOM 1261 N ASP A 80 -1.568 -2.714 9.468 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.331 -2.550 10.701 1.00 0.00 C ATOM 1263 C ASP A 80 -3.376 -1.448 10.550 1.00 0.00 C ATOM 1264 O ASP A 80 -4.486 -1.553 11.072 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.396 -2.223 11.867 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.062 -2.417 13.215 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.168 -1.872 13.413 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -1.479 -3.115 14.070 1.00 0.00 O ATOM 0 H ASP A 80 -0.557 -2.646 9.586 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.844 -3.489 10.908 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.511 -2.856 11.808 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.056 -1.191 11.778 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.011 -0.393 9.829 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.915 0.728 9.607 1.00 0.00 C ATOM 1275 C GLN A 81 -5.171 0.267 8.875 1.00 0.00 C ATOM 1276 O GLN A 81 -6.281 0.686 9.202 1.00 0.00 O ATOM 1277 CB GLN A 81 -3.214 1.826 8.807 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.347 2.739 9.659 1.00 0.00 C ATOM 1279 CD GLN A 81 -3.144 3.840 10.330 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -3.619 4.769 9.675 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -3.297 3.744 11.646 1.00 0.00 N ATOM 0 H GLN A 81 -2.096 -0.291 9.389 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.206 1.131 10.577 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.595 1.365 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.965 2.427 8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.841 2.146 10.421 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.572 3.185 9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.887 2.958 12.151 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.824 4.456 12.151 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.991 -0.606 7.887 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.114 -1.125 7.119 1.00 0.00 C ATOM 1292 C LEU A 82 -7.051 -1.940 7.992 1.00 0.00 C ATOM 1293 O LEU A 82 -8.257 -1.698 8.010 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.634 -1.962 5.953 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.692 -2.138 4.876 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.320 -1.377 3.620 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -6.903 -3.604 4.597 1.00 0.00 C ATOM 0 H LEU A 82 -4.080 -0.966 7.602 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.664 -0.268 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.752 -1.495 5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.328 -2.942 6.318 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.633 -1.722 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.094 -1.520 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.230 -0.316 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.368 -1.747 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.663 -3.722 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.967 -4.048 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.232 -4.104 5.508 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.500 -2.892 8.737 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.315 -3.714 9.626 1.00 0.00 C ATOM 1311 C ARG A 83 -8.170 -2.813 10.510 1.00 0.00 C ATOM 1312 O ARG A 83 -9.267 -3.186 10.922 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.431 -4.618 10.486 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.129 -5.886 10.954 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.595 -7.115 10.236 1.00 0.00 C ATOM 1316 NE ARG A 83 -7.576 -8.198 10.201 1.00 0.00 N ATOM 1317 CZ ARG A 83 -7.307 -9.427 9.769 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -6.091 -9.734 9.333 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -8.257 -10.353 9.771 1.00 0.00 N ATOM 0 H ARG A 83 -5.504 -3.113 8.744 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.965 -4.349 9.024 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.543 -4.891 9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.091 -4.058 11.357 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.991 -6.003 12.029 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.201 -5.798 10.778 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.315 -6.847 9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.690 -7.462 10.735 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.522 -8.000 10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.357 -9.026 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.891 -10.678 9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.193 -10.122 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.051 -11.296 9.440 1.00 0.00 H new ATOM 1333 N GLU A 84 -7.664 -1.609 10.771 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.391 -0.637 11.570 1.00 0.00 C ATOM 1335 C GLU A 84 -9.440 0.041 10.700 1.00 0.00 C ATOM 1336 O GLU A 84 -10.532 0.372 11.163 1.00 0.00 O ATOM 1337 CB GLU A 84 -7.435 0.402 12.161 1.00 0.00 C ATOM 1338 CG GLU A 84 -6.614 -0.121 13.328 1.00 0.00 C ATOM 1339 CD GLU A 84 -7.456 -0.384 14.561 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -8.176 0.539 14.997 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -7.394 -1.514 15.091 1.00 0.00 O ATOM 0 H GLU A 84 -6.754 -1.288 10.439 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.881 -1.150 12.398 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.760 0.748 11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.011 1.267 12.491 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.113 -1.042 13.031 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.835 0.601 13.572 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.106 0.216 9.422 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.020 0.817 8.467 1.00 0.00 C ATOM 1350 C TYR A 85 -11.200 -0.121 8.239 1.00 0.00 C ATOM 1351 O TYR A 85 -12.324 0.315 7.996 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.282 1.078 7.151 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.101 1.799 6.107 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.112 1.147 5.413 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -9.850 3.131 5.803 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -11.852 1.803 4.449 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.585 3.793 4.839 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.585 3.124 4.165 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.318 3.781 3.204 1.00 0.00 O ATOM 0 H TYR A 85 -8.204 -0.053 9.028 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.393 1.765 8.855 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.387 1.664 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.950 0.125 6.740 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.323 0.110 5.631 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.067 3.658 6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.637 1.282 3.920 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.378 4.829 4.614 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.003 4.706 3.128 1.00 0.00 H new ATOM 1369 N PHE A 86 -10.919 -1.419 8.331 1.00 0.00 N ATOM 1370 CA PHE A 86 -11.923 -2.456 8.147 1.00 0.00 C ATOM 1371 C PHE A 86 -12.492 -2.926 9.482 1.00 0.00 C ATOM 1372 O PHE A 86 -13.645 -2.647 9.810 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.291 -3.628 7.400 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.252 -3.415 5.919 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.420 -3.459 5.182 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.058 -3.161 5.268 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.402 -3.252 3.818 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -10.032 -2.953 3.901 1.00 0.00 C ATOM 1379 CZ PHE A 86 -11.206 -2.998 3.175 1.00 0.00 C ATOM 0 H PHE A 86 -9.987 -1.778 8.536 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.750 -2.045 7.567 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.277 -3.783 7.768 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.852 -4.537 7.618 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.358 -3.658 5.679 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.138 -3.125 5.832 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.322 -3.289 3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.095 -2.756 3.402 1.00 0.00 H new ATOM 0 HZ PHE A 86 -11.189 -2.835 2.107 1.00 0.00 H new ATOM 1389 N LYS A 87 -11.675 -3.641 10.249 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.092 -4.153 11.548 1.00 0.00 C ATOM 1391 C LYS A 87 -11.778 -3.143 12.651 1.00 0.00 C ATOM 1392 O LYS A 87 -12.285 -3.322 13.779 1.00 0.00 O ATOM 1393 CB LYS A 87 -11.402 -5.499 11.823 1.00 0.00 C ATOM 1394 CG LYS A 87 -10.964 -5.701 13.266 1.00 0.00 C ATOM 1395 CD LYS A 87 -10.461 -7.117 13.503 1.00 0.00 C ATOM 1396 CE LYS A 87 -9.623 -7.206 14.768 1.00 0.00 C ATOM 1397 NZ LYS A 87 -8.538 -8.219 14.645 1.00 0.00 N ATOM 1398 OXT LYS A 87 -11.029 -2.182 12.377 1.00 0.00 O ATOM 0 H LYS A 87 -10.717 -3.879 9.991 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.171 -4.310 11.537 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.082 -6.305 11.547 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.529 -5.584 11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.177 -4.988 13.512 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.801 -5.494 13.934 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.309 -7.798 13.578 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.867 -7.441 12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.186 -6.231 14.984 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.265 -7.462 15.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.989 -8.249 15.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.955 -9.154 14.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.911 -7.962 13.856 1.00 0.00 H new TER 1412 LYS A 87