USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 631 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 73 LYS NZ :NH3+ -147:sc= -0.155 (180deg=-0.149) USER MOD Set 1.2: A 75 TYR OH : rot 30:sc= 0.141 USER MOD Set 2.1: A 56 TYR OH : rot 102:sc= 0.00625 USER MOD Set 2.2: A 61 TYR OH : rot -130:sc= 0.611 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.435 K(o=0.43,f=-2.1!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.184 K(o=-0.18,f=-3.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 105:sc= 1.03 USER MOD Single : A 32 THR OG1 : rot -142:sc= 0.808 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0494 K(o=-0.049,f=-0.6) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.163 X(o=0.16,f=0.019) USER MOD Single : A 52 SER OG : rot -17:sc= 1.05 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.557 USER MOD Single : A 57 MET CE :methyl 164:sc= -0.357 (180deg=-0.768) USER MOD Single : A 60 ASN : amide:sc= -1.4 K(o=-1.4,f=-4.4!) USER MOD Single : A 65 THR OG1 : rot -73:sc= 0.282 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -0.534 (180deg=-0.772) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.587 -21.762 -7.500 1.00 0.00 N ATOM 2 CA GLY A 1 -11.869 -21.132 -8.795 1.00 0.00 C ATOM 3 C GLY A 1 -11.202 -19.769 -8.847 1.00 0.00 C ATOM 4 O GLY A 1 -11.508 -18.930 -8.004 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.043 -22.696 -7.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.559 -21.873 -7.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.959 -21.164 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.501 -21.761 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.945 -21.028 -8.935 1.00 0.00 H new ATOM 8 N ALA A 2 -10.307 -19.542 -9.818 1.00 0.00 N ATOM 9 CA ALA A 2 -9.508 -18.325 -10.013 1.00 0.00 C ATOM 10 C ALA A 2 -8.870 -17.768 -8.725 1.00 0.00 C ATOM 11 O ALA A 2 -8.765 -16.554 -8.552 1.00 0.00 O ATOM 12 CB ALA A 2 -10.326 -17.269 -10.764 1.00 0.00 C ATOM 0 H ALA A 2 -10.110 -20.245 -10.530 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.654 -18.610 -10.628 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.723 -16.372 -10.902 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.621 -17.661 -11.737 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.217 -17.021 -10.188 1.00 0.00 H new ATOM 18 N ALA A 3 -8.433 -18.648 -7.815 1.00 0.00 N ATOM 19 CA ALA A 3 -7.795 -18.286 -6.553 1.00 0.00 C ATOM 20 C ALA A 3 -6.361 -17.779 -6.790 1.00 0.00 C ATOM 21 O ALA A 3 -5.392 -18.445 -6.415 1.00 0.00 O ATOM 22 CB ALA A 3 -7.835 -19.493 -5.607 1.00 0.00 C ATOM 0 H ALA A 3 -8.518 -19.656 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.340 -17.466 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.360 -19.230 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.871 -19.779 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.302 -20.329 -6.061 1.00 0.00 H new ATOM 28 N GLY A 4 -6.241 -16.598 -7.398 1.00 0.00 N ATOM 29 CA GLY A 4 -4.996 -15.907 -7.686 1.00 0.00 C ATOM 30 C GLY A 4 -4.710 -14.886 -6.604 1.00 0.00 C ATOM 31 O GLY A 4 -4.296 -15.235 -5.501 1.00 0.00 O ATOM 0 H GLY A 4 -7.056 -16.075 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.178 -16.624 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.060 -15.414 -8.656 1.00 0.00 H new ATOM 35 N ILE A 5 -4.988 -13.619 -6.902 1.00 0.00 N ATOM 36 CA ILE A 5 -4.769 -12.528 -5.957 1.00 0.00 C ATOM 37 C ILE A 5 -6.068 -11.821 -5.596 1.00 0.00 C ATOM 38 O ILE A 5 -6.154 -11.163 -4.563 1.00 0.00 O ATOM 39 CB ILE A 5 -3.714 -11.525 -6.464 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.181 -10.653 -7.643 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.392 -12.234 -6.798 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.255 -9.454 -7.856 1.00 0.00 C ATOM 0 H ILE A 5 -5.369 -13.321 -7.800 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.376 -12.981 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.552 -10.835 -5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.213 -11.255 -8.551 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.196 -10.302 -7.457 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.666 -11.502 -7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.006 -12.724 -5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.565 -12.980 -7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.615 -8.861 -8.696 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.243 -8.839 -6.956 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.246 -9.807 -8.067 1.00 0.00 H new ATOM 54 N ASP A 6 -7.081 -11.939 -6.452 1.00 0.00 N ATOM 55 CA ASP A 6 -8.318 -11.172 -6.354 1.00 0.00 C ATOM 56 C ASP A 6 -9.128 -11.587 -5.114 1.00 0.00 C ATOM 57 O ASP A 6 -9.887 -10.792 -4.572 1.00 0.00 O ATOM 58 CB ASP A 6 -9.046 -11.365 -7.687 1.00 0.00 C ATOM 59 CG ASP A 6 -10.211 -10.399 -7.925 1.00 0.00 C ATOM 60 OD1 ASP A 6 -9.950 -9.192 -8.141 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.356 -10.859 -8.133 1.00 0.00 O ATOM 0 H ASP A 6 -7.064 -12.580 -7.245 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.140 -10.107 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.327 -11.252 -8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.423 -12.387 -7.735 1.00 0.00 H new ATOM 66 N GLN A 7 -8.861 -12.787 -4.583 1.00 0.00 N ATOM 67 CA GLN A 7 -9.352 -13.300 -3.301 1.00 0.00 C ATOM 68 C GLN A 7 -8.831 -12.526 -2.077 1.00 0.00 C ATOM 69 O GLN A 7 -9.414 -12.620 -0.994 1.00 0.00 O ATOM 70 CB GLN A 7 -8.973 -14.788 -3.204 1.00 0.00 C ATOM 71 CG GLN A 7 -7.467 -15.054 -2.998 1.00 0.00 C ATOM 72 CD GLN A 7 -7.116 -16.510 -3.290 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.893 -17.417 -3.012 1.00 0.00 O ATOM 74 NE2 GLN A 7 -5.985 -16.764 -3.925 1.00 0.00 N ATOM 0 H GLN A 7 -8.265 -13.461 -5.063 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.434 -13.166 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.524 -15.237 -2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.297 -15.292 -4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.888 -14.400 -3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.189 -14.809 -1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.345 -16.003 -4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.752 -17.721 -4.188 1.00 0.00 H new ATOM 83 N TYR A 8 -7.742 -11.766 -2.220 1.00 0.00 N ATOM 84 CA TYR A 8 -7.205 -10.892 -1.180 1.00 0.00 C ATOM 85 C TYR A 8 -7.565 -9.428 -1.454 1.00 0.00 C ATOM 86 O TYR A 8 -7.081 -8.563 -0.728 1.00 0.00 O ATOM 87 CB TYR A 8 -5.676 -11.045 -1.073 1.00 0.00 C ATOM 88 CG TYR A 8 -5.163 -12.469 -1.022 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.281 -13.234 0.151 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.544 -13.019 -2.156 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.785 -14.553 0.188 1.00 0.00 C ATOM 92 CE2 TYR A 8 -4.078 -14.343 -2.141 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.188 -15.119 -0.965 1.00 0.00 C ATOM 94 OH TYR A 8 -3.711 -16.396 -0.973 1.00 0.00 O ATOM 0 H TYR A 8 -7.199 -11.743 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.655 -11.189 -0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.218 -10.543 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.338 -10.524 -0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.752 -12.811 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.426 -12.419 -3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.860 -15.132 1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.635 -14.769 -3.029 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.340 -16.601 -1.856 1.00 0.00 H new ATOM 104 N ALA A 9 -8.334 -9.116 -2.507 1.00 0.00 N ATOM 105 CA ALA A 9 -8.713 -7.746 -2.825 1.00 0.00 C ATOM 106 C ALA A 9 -9.724 -7.252 -1.789 1.00 0.00 C ATOM 107 O ALA A 9 -10.926 -7.525 -1.889 1.00 0.00 O ATOM 108 CB ALA A 9 -9.261 -7.654 -4.255 1.00 0.00 C ATOM 0 H ALA A 9 -8.706 -9.809 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.836 -7.101 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.538 -6.623 -4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.496 -7.981 -4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.139 -8.293 -4.350 1.00 0.00 H new ATOM 114 N LEU A 10 -9.243 -6.524 -0.785 1.00 0.00 N ATOM 115 CA LEU A 10 -10.105 -5.901 0.206 1.00 0.00 C ATOM 116 C LEU A 10 -10.769 -4.718 -0.487 1.00 0.00 C ATOM 117 O LEU A 10 -10.135 -4.054 -1.309 1.00 0.00 O ATOM 118 CB LEU A 10 -9.299 -5.425 1.426 1.00 0.00 C ATOM 119 CG LEU A 10 -8.581 -6.529 2.225 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.760 -5.893 3.353 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.555 -7.551 2.821 1.00 0.00 C ATOM 0 H LEU A 10 -8.248 -6.352 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.842 -6.613 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.554 -4.704 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.973 -4.895 2.099 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.932 -7.062 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.252 -6.674 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.021 -5.214 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.423 -5.338 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.997 -8.307 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.246 -7.045 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.116 -8.030 2.019 1.00 0.00 H new ATOM 133 N LYS A 11 -12.035 -4.447 -0.171 1.00 0.00 N ATOM 134 CA LYS A 11 -12.744 -3.292 -0.723 1.00 0.00 C ATOM 135 C LYS A 11 -12.520 -2.054 0.146 1.00 0.00 C ATOM 136 O LYS A 11 -12.846 -0.943 -0.277 1.00 0.00 O ATOM 137 CB LYS A 11 -14.240 -3.629 -0.870 1.00 0.00 C ATOM 138 CG LYS A 11 -14.451 -4.625 -2.021 1.00 0.00 C ATOM 139 CD LYS A 11 -15.919 -4.983 -2.281 1.00 0.00 C ATOM 140 CE LYS A 11 -15.954 -6.093 -3.342 1.00 0.00 C ATOM 141 NZ LYS A 11 -17.319 -6.556 -3.666 1.00 0.00 N ATOM 0 H LYS A 11 -12.593 -5.014 0.467 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.348 -3.061 -1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.618 -4.053 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.808 -2.718 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.024 -4.206 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.899 -5.539 -1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.398 -5.319 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.470 -4.108 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.477 -5.730 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.366 -6.940 -2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.270 -7.304 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.771 -6.932 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.878 -5.759 -4.031 1.00 0.00 H new ATOM 155 N GLU A 12 -11.976 -2.232 1.350 1.00 0.00 N ATOM 156 CA GLU A 12 -11.954 -1.286 2.451 1.00 0.00 C ATOM 157 C GLU A 12 -11.266 -1.956 3.643 1.00 0.00 C ATOM 158 O GLU A 12 -11.122 -3.184 3.642 1.00 0.00 O ATOM 159 CB GLU A 12 -13.392 -0.905 2.819 1.00 0.00 C ATOM 160 CG GLU A 12 -14.250 -2.093 3.255 1.00 0.00 C ATOM 161 CD GLU A 12 -15.717 -1.718 3.314 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.394 -1.711 2.266 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.250 -1.537 4.433 1.00 0.00 O ATOM 0 H GLU A 12 -11.508 -3.105 1.592 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.412 -0.383 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.369 -0.170 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.862 -0.424 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.111 -2.920 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.922 -2.442 4.234 1.00 0.00 H new ATOM 170 N PHE A 13 -10.869 -1.164 4.645 1.00 0.00 N ATOM 171 CA PHE A 13 -10.229 -1.613 5.882 1.00 0.00 C ATOM 172 C PHE A 13 -10.187 -0.449 6.895 1.00 0.00 C ATOM 173 O PHE A 13 -10.675 0.649 6.599 1.00 0.00 O ATOM 174 CB PHE A 13 -8.813 -2.158 5.594 1.00 0.00 C ATOM 175 CG PHE A 13 -7.783 -1.107 5.226 1.00 0.00 C ATOM 176 CD1 PHE A 13 -7.771 -0.535 3.941 1.00 0.00 C ATOM 177 CD2 PHE A 13 -6.834 -0.698 6.180 1.00 0.00 C ATOM 178 CE1 PHE A 13 -6.833 0.463 3.625 1.00 0.00 C ATOM 179 CE2 PHE A 13 -5.894 0.295 5.870 1.00 0.00 C ATOM 180 CZ PHE A 13 -5.904 0.886 4.594 1.00 0.00 C ATOM 0 H PHE A 13 -10.991 -0.152 4.613 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.812 -2.427 6.314 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.462 -2.697 6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.877 -2.882 4.782 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.482 -0.863 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.829 -1.153 7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.825 0.905 2.640 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.167 0.604 6.606 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.197 1.667 4.357 1.00 0.00 H new ATOM 190 N THR A 14 -9.542 -0.660 8.047 1.00 0.00 N ATOM 191 CA THR A 14 -9.230 0.370 9.034 1.00 0.00 C ATOM 192 C THR A 14 -7.765 0.178 9.450 1.00 0.00 C ATOM 193 O THR A 14 -7.314 -0.964 9.593 1.00 0.00 O ATOM 194 CB THR A 14 -10.145 0.256 10.276 1.00 0.00 C ATOM 195 OG1 THR A 14 -11.442 -0.238 9.984 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.311 1.596 10.997 1.00 0.00 C ATOM 0 H THR A 14 -9.213 -1.585 8.324 1.00 0.00 H new ATOM 0 HA THR A 14 -9.393 1.356 8.600 1.00 0.00 H new ATOM 0 HB THR A 14 -9.631 -0.460 10.917 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.967 -0.287 10.810 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.961 1.466 11.862 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.336 1.955 11.327 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.754 2.323 10.316 1.00 0.00 H new ATOM 204 N ALA A 15 -7.020 1.263 9.666 1.00 0.00 N ATOM 205 CA ALA A 15 -5.760 1.265 10.408 1.00 0.00 C ATOM 206 C ALA A 15 -5.657 2.614 11.105 1.00 0.00 C ATOM 207 O ALA A 15 -6.192 3.590 10.592 1.00 0.00 O ATOM 208 CB ALA A 15 -4.562 1.079 9.469 1.00 0.00 C ATOM 0 H ALA A 15 -7.283 2.186 9.321 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.746 0.441 11.122 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.640 1.085 10.050 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.655 0.128 8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.539 1.892 8.743 1.00 0.00 H new ATOM 214 N ASP A 16 -4.949 2.718 12.233 1.00 0.00 N ATOM 215 CA ASP A 16 -4.749 3.996 12.946 1.00 0.00 C ATOM 216 C ASP A 16 -6.073 4.674 13.329 1.00 0.00 C ATOM 217 O ASP A 16 -6.202 5.899 13.354 1.00 0.00 O ATOM 218 CB ASP A 16 -3.850 4.916 12.106 1.00 0.00 C ATOM 219 CG ASP A 16 -2.637 5.400 12.887 1.00 0.00 C ATOM 220 OD1 ASP A 16 -2.810 6.275 13.767 1.00 0.00 O ATOM 221 OD2 ASP A 16 -1.535 4.862 12.615 1.00 0.00 O ATOM 0 H ASP A 16 -4.496 1.923 12.683 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.250 3.784 13.891 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.518 4.383 11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.428 5.775 11.766 1.00 0.00 H new ATOM 226 N PHE A 17 -7.100 3.860 13.567 1.00 0.00 N ATOM 227 CA PHE A 17 -8.501 4.254 13.770 1.00 0.00 C ATOM 228 C PHE A 17 -9.072 5.071 12.604 1.00 0.00 C ATOM 229 O PHE A 17 -10.124 5.691 12.725 1.00 0.00 O ATOM 230 CB PHE A 17 -8.694 4.973 15.115 1.00 0.00 C ATOM 231 CG PHE A 17 -7.837 4.450 16.251 1.00 0.00 C ATOM 232 CD1 PHE A 17 -8.208 3.293 16.955 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.645 5.113 16.602 1.00 0.00 C ATOM 234 CE1 PHE A 17 -7.387 2.771 17.967 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.857 4.613 17.652 1.00 0.00 C ATOM 236 CZ PHE A 17 -6.202 3.430 18.316 1.00 0.00 C ATOM 0 H PHE A 17 -6.974 2.850 13.628 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.077 3.329 13.799 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.480 6.033 14.977 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.742 4.894 15.405 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.137 2.798 16.715 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.339 6.000 16.067 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.669 1.861 18.476 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.970 5.151 17.952 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.562 3.030 19.088 1.00 0.00 H new ATOM 246 N THR A 18 -8.384 5.065 11.470 1.00 0.00 N ATOM 247 CA THR A 18 -8.733 5.744 10.245 1.00 0.00 C ATOM 248 C THR A 18 -9.353 4.682 9.340 1.00 0.00 C ATOM 249 O THR A 18 -8.719 3.673 9.013 1.00 0.00 O ATOM 250 CB THR A 18 -7.472 6.369 9.626 1.00 0.00 C ATOM 251 OG1 THR A 18 -6.722 7.106 10.584 1.00 0.00 O ATOM 252 CG2 THR A 18 -7.843 7.296 8.467 1.00 0.00 C ATOM 0 H THR A 18 -7.509 4.548 11.384 1.00 0.00 H new ATOM 0 HA THR A 18 -9.438 6.560 10.403 1.00 0.00 H new ATOM 0 HB THR A 18 -6.858 5.546 9.261 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.928 7.487 10.155 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.937 7.728 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.368 6.727 7.699 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.489 8.094 8.832 1.00 0.00 H new ATOM 260 N GLN A 19 -10.621 4.869 8.999 1.00 0.00 N ATOM 261 CA GLN A 19 -11.327 4.046 8.038 1.00 0.00 C ATOM 262 C GLN A 19 -10.886 4.410 6.622 1.00 0.00 C ATOM 263 O GLN A 19 -10.552 5.572 6.359 1.00 0.00 O ATOM 264 CB GLN A 19 -12.830 4.279 8.228 1.00 0.00 C ATOM 265 CG GLN A 19 -13.636 3.159 7.580 1.00 0.00 C ATOM 266 CD GLN A 19 -14.645 2.567 8.545 1.00 0.00 C ATOM 267 OE1 GLN A 19 -15.814 2.954 8.559 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.205 1.640 9.376 1.00 0.00 N ATOM 0 H GLN A 19 -11.196 5.614 9.393 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.102 2.991 8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.063 4.333 9.291 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.113 5.237 7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.154 3.544 6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.960 2.377 7.234 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.230 1.342 9.338 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.840 1.222 10.056 1.00 0.00 H new ATOM 277 N PHE A 20 -10.939 3.442 5.707 1.00 0.00 N ATOM 278 CA PHE A 20 -10.483 3.584 4.329 1.00 0.00 C ATOM 279 C PHE A 20 -11.316 2.723 3.388 1.00 0.00 C ATOM 280 O PHE A 20 -11.816 1.671 3.792 1.00 0.00 O ATOM 281 CB PHE A 20 -9.024 3.118 4.253 1.00 0.00 C ATOM 282 CG PHE A 20 -8.020 3.889 5.093 1.00 0.00 C ATOM 283 CD1 PHE A 20 -7.717 5.227 4.794 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.365 3.265 6.167 1.00 0.00 C ATOM 285 CE1 PHE A 20 -6.714 5.911 5.499 1.00 0.00 C ATOM 286 CE2 PHE A 20 -6.363 3.951 6.878 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.015 5.269 6.534 1.00 0.00 C ATOM 0 H PHE A 20 -11.310 2.514 5.912 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.582 4.627 4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.985 2.070 4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.705 3.165 3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.262 5.736 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.631 2.257 6.448 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.479 6.934 5.245 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.856 3.460 7.696 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.221 5.780 7.058 1.00 0.00 H new ATOM 297 N HIS A 21 -11.394 3.124 2.117 1.00 0.00 N ATOM 298 CA HIS A 21 -12.113 2.432 1.050 1.00 0.00 C ATOM 299 C HIS A 21 -11.357 2.641 -0.263 1.00 0.00 C ATOM 300 O HIS A 21 -10.579 3.597 -0.359 1.00 0.00 O ATOM 301 CB HIS A 21 -13.535 2.995 0.895 1.00 0.00 C ATOM 302 CG HIS A 21 -14.207 3.435 2.170 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.130 4.687 2.744 1.00 0.00 N ATOM 304 CD2 HIS A 21 -14.931 2.634 3.005 1.00 0.00 C ATOM 305 CE1 HIS A 21 -14.730 4.617 3.944 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.227 3.384 4.148 1.00 0.00 N ATOM 0 H HIS A 21 -10.938 3.976 1.792 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.180 1.373 1.298 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.497 3.845 0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.157 2.235 0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.221 1.611 2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -14.803 5.435 4.645 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -15.724 3.058 4.977 1.00 0.00 H new ATOM 314 N ILE A 22 -11.616 1.811 -1.285 1.00 0.00 N ATOM 315 CA ILE A 22 -11.179 2.123 -2.646 1.00 0.00 C ATOM 316 C ILE A 22 -11.778 3.477 -3.000 1.00 0.00 C ATOM 317 O ILE A 22 -12.997 3.647 -2.949 1.00 0.00 O ATOM 318 CB ILE A 22 -11.612 1.060 -3.690 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.262 -0.400 -3.354 1.00 0.00 C ATOM 320 CG2 ILE A 22 -11.047 1.409 -5.082 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.808 -0.633 -2.953 1.00 0.00 C ATOM 0 H ILE A 22 -12.120 0.929 -1.193 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.089 2.133 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.701 1.107 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.907 -0.736 -2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.490 -1.022 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.360 0.653 -5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.422 2.384 -5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.958 1.437 -5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.656 -1.690 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.153 -0.333 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.576 -0.042 -2.067 1.00 0.00 H new ATOM 333 N GLY A 23 -10.920 4.437 -3.340 1.00 0.00 N ATOM 334 CA GLY A 23 -11.345 5.761 -3.753 1.00 0.00 C ATOM 335 C GLY A 23 -10.965 6.865 -2.772 1.00 0.00 C ATOM 336 O GLY A 23 -10.720 7.974 -3.246 1.00 0.00 O ATOM 0 H GLY A 23 -9.908 4.312 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.907 5.986 -4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.427 5.761 -3.883 1.00 0.00 H new ATOM 340 N ASP A 24 -10.862 6.594 -1.468 1.00 0.00 N ATOM 341 CA ASP A 24 -10.518 7.584 -0.432 1.00 0.00 C ATOM 342 C ASP A 24 -9.029 7.982 -0.559 1.00 0.00 C ATOM 343 O ASP A 24 -8.373 7.626 -1.544 1.00 0.00 O ATOM 344 CB ASP A 24 -10.871 7.043 0.973 1.00 0.00 C ATOM 345 CG ASP A 24 -12.372 6.962 1.275 1.00 0.00 C ATOM 346 OD1 ASP A 24 -13.110 6.299 0.517 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.799 7.427 2.357 1.00 0.00 O ATOM 0 H ASP A 24 -11.018 5.660 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.110 8.487 -0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.439 6.048 1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.399 7.680 1.721 1.00 0.00 H new ATOM 352 N THR A 25 -8.468 8.719 0.404 1.00 0.00 N ATOM 353 CA THR A 25 -7.088 9.205 0.441 1.00 0.00 C ATOM 354 C THR A 25 -6.472 8.849 1.816 1.00 0.00 C ATOM 355 O THR A 25 -7.213 8.593 2.769 1.00 0.00 O ATOM 356 CB THR A 25 -7.098 10.725 0.150 1.00 0.00 C ATOM 357 OG1 THR A 25 -8.145 11.104 -0.736 1.00 0.00 O ATOM 358 CG2 THR A 25 -5.804 11.219 -0.489 1.00 0.00 C ATOM 0 H THR A 25 -8.997 9.009 1.226 1.00 0.00 H new ATOM 0 HA THR A 25 -6.467 8.732 -0.319 1.00 0.00 H new ATOM 0 HB THR A 25 -7.235 11.176 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.111 12.072 -0.888 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.873 12.292 -0.668 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.967 11.016 0.180 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.645 10.702 -1.436 1.00 0.00 H new ATOM 366 N VAL A 26 -5.140 8.831 1.964 1.00 0.00 N ATOM 367 CA VAL A 26 -4.442 8.390 3.188 1.00 0.00 C ATOM 368 C VAL A 26 -3.819 9.556 3.966 1.00 0.00 C ATOM 369 O VAL A 26 -3.667 10.648 3.406 1.00 0.00 O ATOM 370 CB VAL A 26 -3.392 7.296 2.886 1.00 0.00 C ATOM 371 CG1 VAL A 26 -4.024 6.095 2.186 1.00 0.00 C ATOM 372 CG2 VAL A 26 -2.175 7.792 2.104 1.00 0.00 C ATOM 0 H VAL A 26 -4.502 9.127 1.225 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.205 7.953 3.832 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.018 6.987 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.258 5.345 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.796 5.666 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.469 6.416 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.489 6.962 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.499 8.197 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.669 8.571 2.674 1.00 0.00 H new ATOM 382 N PRO A 27 -3.448 9.354 5.246 1.00 0.00 N ATOM 383 CA PRO A 27 -2.658 10.311 6.017 1.00 0.00 C ATOM 384 C PRO A 27 -1.197 10.394 5.599 1.00 0.00 C ATOM 385 O PRO A 27 -0.665 9.444 5.035 1.00 0.00 O ATOM 386 CB PRO A 27 -2.699 9.841 7.458 1.00 0.00 C ATOM 387 CG PRO A 27 -2.984 8.364 7.347 1.00 0.00 C ATOM 388 CD PRO A 27 -3.859 8.255 6.108 1.00 0.00 C ATOM 0 HA PRO A 27 -3.085 11.301 5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.754 10.029 7.967 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.474 10.356 8.025 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.066 7.786 7.240 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.496 7.988 8.233 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.720 7.294 5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.915 8.331 6.365 1.00 0.00 H new ATOM 396 N ALA A 28 -0.523 11.469 6.018 1.00 0.00 N ATOM 397 CA ALA A 28 0.873 11.738 5.724 1.00 0.00 C ATOM 398 C ALA A 28 1.812 10.733 6.400 1.00 0.00 C ATOM 399 O ALA A 28 2.889 10.465 5.868 1.00 0.00 O ATOM 400 CB ALA A 28 1.215 13.162 6.160 1.00 0.00 C ATOM 0 H ALA A 28 -0.955 12.195 6.589 1.00 0.00 H new ATOM 0 HA ALA A 28 1.018 11.633 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.263 13.368 5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.586 13.869 5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.041 13.266 7.231 1.00 0.00 H new ATOM 406 N MET A 29 1.398 10.098 7.509 1.00 0.00 N ATOM 407 CA MET A 29 2.102 8.976 8.087 1.00 0.00 C ATOM 408 C MET A 29 2.222 7.827 7.084 1.00 0.00 C ATOM 409 O MET A 29 3.138 7.024 7.210 1.00 0.00 O ATOM 410 CB MET A 29 1.419 8.525 9.388 1.00 0.00 C ATOM 411 CG MET A 29 -0.104 8.589 9.383 1.00 0.00 C ATOM 412 SD MET A 29 -0.971 7.594 10.612 1.00 0.00 S ATOM 413 CE MET A 29 -0.423 8.353 12.170 1.00 0.00 C ATOM 0 H MET A 29 0.557 10.362 8.022 1.00 0.00 H new ATOM 0 HA MET A 29 3.115 9.294 8.335 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.722 7.500 9.601 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.789 9.143 10.206 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.399 9.629 9.520 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.452 8.286 8.396 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.885 7.834 13.010 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.662 8.279 12.249 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.717 9.402 12.187 1.00 0.00 H new ATOM 423 N TYR A 30 1.357 7.766 6.060 1.00 0.00 N ATOM 424 CA TYR A 30 1.483 6.702 5.063 1.00 0.00 C ATOM 425 C TYR A 30 1.967 7.192 3.696 1.00 0.00 C ATOM 426 O TYR A 30 1.930 6.420 2.746 1.00 0.00 O ATOM 427 CB TYR A 30 0.189 5.882 5.033 1.00 0.00 C ATOM 428 CG TYR A 30 -0.191 5.301 6.386 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.772 4.651 7.183 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.493 5.471 6.886 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.440 4.180 8.461 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.836 4.998 8.166 1.00 0.00 C ATOM 433 CZ TYR A 30 -0.866 4.347 8.960 1.00 0.00 C ATOM 434 OH TYR A 30 -1.189 3.786 10.156 1.00 0.00 O ATOM 0 H TYR A 30 0.589 8.419 5.906 1.00 0.00 H new ATOM 0 HA TYR A 30 2.287 6.032 5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.624 6.514 4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.300 5.069 4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.775 4.514 6.806 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.237 5.969 6.282 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.188 3.688 9.065 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.840 5.133 8.541 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.228 4.483 10.844 1.00 0.00 H new ATOM 444 N LEU A 31 2.438 8.439 3.579 1.00 0.00 N ATOM 445 CA LEU A 31 3.127 8.941 2.388 1.00 0.00 C ATOM 446 C LEU A 31 4.645 8.776 2.493 1.00 0.00 C ATOM 447 O LEU A 31 5.339 8.802 1.473 1.00 0.00 O ATOM 448 CB LEU A 31 2.817 10.437 2.201 1.00 0.00 C ATOM 449 CG LEU A 31 1.540 10.737 1.408 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.677 10.319 -0.050 1.00 0.00 C ATOM 451 CD2 LEU A 31 0.290 10.093 1.975 1.00 0.00 C ATOM 0 H LEU A 31 2.349 9.135 4.319 1.00 0.00 H new ATOM 0 HA LEU A 31 2.770 8.359 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.735 10.902 3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.660 10.907 1.695 1.00 0.00 H new ATOM 0 HG LEU A 31 1.421 11.818 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.753 10.546 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.503 10.863 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.873 9.248 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.568 10.355 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.412 9.010 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.126 10.450 2.992 1.00 0.00 H new ATOM 463 N THR A 32 5.166 8.683 3.714 1.00 0.00 N ATOM 464 CA THR A 32 6.599 8.615 3.977 1.00 0.00 C ATOM 465 C THR A 32 7.190 7.268 3.498 1.00 0.00 C ATOM 466 O THR A 32 6.555 6.212 3.624 1.00 0.00 O ATOM 467 CB THR A 32 6.883 8.930 5.464 1.00 0.00 C ATOM 468 OG1 THR A 32 8.223 8.677 5.843 1.00 0.00 O ATOM 469 CG2 THR A 32 5.987 8.152 6.410 1.00 0.00 C ATOM 0 H THR A 32 4.596 8.652 4.559 1.00 0.00 H new ATOM 0 HA THR A 32 7.113 9.380 3.395 1.00 0.00 H new ATOM 0 HB THR A 32 6.677 9.997 5.548 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.242 8.311 6.752 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.231 8.413 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.945 8.400 6.210 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.141 7.083 6.261 1.00 0.00 H new ATOM 477 N PRO A 33 8.462 7.257 3.047 1.00 0.00 N ATOM 478 CA PRO A 33 9.175 6.062 2.606 1.00 0.00 C ATOM 479 C PRO A 33 9.425 5.043 3.725 1.00 0.00 C ATOM 480 O PRO A 33 9.953 3.960 3.466 1.00 0.00 O ATOM 481 CB PRO A 33 10.474 6.567 1.972 1.00 0.00 C ATOM 482 CG PRO A 33 10.734 7.887 2.691 1.00 0.00 C ATOM 483 CD PRO A 33 9.324 8.420 2.904 1.00 0.00 C ATOM 0 HA PRO A 33 8.571 5.502 1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.292 5.862 2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.366 6.710 0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.261 7.740 3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.339 8.566 2.090 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.277 9.050 3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.010 9.035 2.061 1.00 0.00 H new ATOM 491 N GLU A 34 9.070 5.370 4.966 1.00 0.00 N ATOM 492 CA GLU A 34 9.088 4.486 6.129 1.00 0.00 C ATOM 493 C GLU A 34 8.274 3.204 5.929 1.00 0.00 C ATOM 494 O GLU A 34 8.574 2.200 6.583 1.00 0.00 O ATOM 495 CB GLU A 34 8.605 5.284 7.345 1.00 0.00 C ATOM 496 CG GLU A 34 9.710 6.235 7.831 1.00 0.00 C ATOM 497 CD GLU A 34 9.182 7.243 8.843 1.00 0.00 C ATOM 498 OE1 GLU A 34 8.744 8.339 8.421 1.00 0.00 O ATOM 499 OE2 GLU A 34 9.238 6.977 10.062 1.00 0.00 O ATOM 0 H GLU A 34 8.745 6.308 5.199 1.00 0.00 H new ATOM 0 HA GLU A 34 10.110 4.142 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.714 5.854 7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.323 4.602 8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.516 5.656 8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.135 6.764 6.978 1.00 0.00 H new ATOM 506 N TYR A 35 7.306 3.216 5.008 1.00 0.00 N ATOM 507 CA TYR A 35 6.405 2.099 4.736 1.00 0.00 C ATOM 508 C TYR A 35 6.501 1.644 3.283 1.00 0.00 C ATOM 509 O TYR A 35 5.860 0.659 2.930 1.00 0.00 O ATOM 510 CB TYR A 35 4.959 2.514 5.063 1.00 0.00 C ATOM 511 CG TYR A 35 4.772 3.018 6.478 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.062 4.360 6.781 1.00 0.00 C ATOM 513 CD2 TYR A 35 4.358 2.143 7.497 1.00 0.00 C ATOM 514 CE1 TYR A 35 4.986 4.829 8.100 1.00 0.00 C ATOM 515 CE2 TYR A 35 4.237 2.617 8.815 1.00 0.00 C ATOM 516 CZ TYR A 35 4.568 3.959 9.123 1.00 0.00 C ATOM 517 OH TYR A 35 4.554 4.407 10.407 1.00 0.00 O ATOM 0 H TYR A 35 7.125 4.027 4.416 1.00 0.00 H new ATOM 0 HA TYR A 35 6.701 1.261 5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.648 3.292 4.366 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.301 1.660 4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.346 5.037 5.989 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.134 1.111 7.269 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.247 5.852 8.329 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.890 1.955 9.595 1.00 0.00 H new ATOM 0 HH TYR A 35 4.241 3.692 11.000 1.00 0.00 H new ATOM 527 N ASN A 36 7.253 2.353 2.433 1.00 0.00 N ATOM 528 CA ASN A 36 7.310 2.142 0.995 1.00 0.00 C ATOM 529 C ASN A 36 7.945 0.797 0.664 1.00 0.00 C ATOM 530 O ASN A 36 9.080 0.508 1.052 1.00 0.00 O ATOM 531 CB ASN A 36 8.091 3.300 0.379 1.00 0.00 C ATOM 532 CG ASN A 36 8.526 3.081 -1.060 1.00 0.00 C ATOM 533 OD1 ASN A 36 7.917 2.372 -1.854 1.00 0.00 O ATOM 534 ND2 ASN A 36 9.623 3.715 -1.427 1.00 0.00 N ATOM 0 H ASN A 36 7.857 3.114 2.745 1.00 0.00 H new ATOM 0 HA ASN A 36 6.303 2.118 0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.477 4.199 0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.976 3.487 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.973 3.618 -2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.121 4.302 -0.758 1.00 0.00 H new ATOM 541 N ILE A 37 7.209 -0.020 -0.079 1.00 0.00 N ATOM 542 CA ILE A 37 7.599 -1.342 -0.511 1.00 0.00 C ATOM 543 C ILE A 37 7.974 -1.230 -1.985 1.00 0.00 C ATOM 544 O ILE A 37 7.123 -1.278 -2.876 1.00 0.00 O ATOM 545 CB ILE A 37 6.481 -2.373 -0.238 1.00 0.00 C ATOM 546 CG1 ILE A 37 5.880 -2.248 1.182 1.00 0.00 C ATOM 547 CG2 ILE A 37 7.078 -3.766 -0.480 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.735 -3.225 1.441 1.00 0.00 C ATOM 0 H ILE A 37 6.280 0.241 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 37 8.457 -1.711 0.052 1.00 0.00 H new ATOM 0 HB ILE A 37 5.645 -2.189 -0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.666 -2.417 1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.520 -1.230 1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.317 -4.525 -0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.423 -3.840 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.918 -3.924 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.359 -3.085 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.932 -3.042 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.096 -4.247 1.326 1.00 0.00 H new ATOM 560 N LYS A 38 9.269 -1.076 -2.264 1.00 0.00 N ATOM 561 CA LYS A 38 9.768 -1.089 -3.636 1.00 0.00 C ATOM 562 C LYS A 38 9.509 -2.454 -4.285 1.00 0.00 C ATOM 563 O LYS A 38 9.230 -2.495 -5.481 1.00 0.00 O ATOM 564 CB LYS A 38 11.265 -0.722 -3.683 1.00 0.00 C ATOM 565 CG LYS A 38 11.537 0.774 -3.426 1.00 0.00 C ATOM 566 CD LYS A 38 13.031 1.105 -3.588 1.00 0.00 C ATOM 567 CE LYS A 38 13.312 2.612 -3.487 1.00 0.00 C ATOM 568 NZ LYS A 38 14.738 2.935 -3.718 1.00 0.00 N ATOM 0 H LYS A 38 9.991 -0.941 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 38 9.228 -0.334 -4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.800 -1.314 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.668 -0.995 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.951 1.377 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.211 1.038 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.602 0.580 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.379 0.737 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.699 3.143 -4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.016 2.969 -2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.878 3.963 -3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.323 2.450 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.016 2.619 -4.669 1.00 0.00 H new ATOM 582 N GLN A 39 9.633 -3.558 -3.545 1.00 0.00 N ATOM 583 CA GLN A 39 9.675 -4.916 -4.093 1.00 0.00 C ATOM 584 C GLN A 39 8.246 -5.467 -4.197 1.00 0.00 C ATOM 585 O GLN A 39 7.631 -5.736 -3.162 1.00 0.00 O ATOM 586 CB GLN A 39 10.555 -5.788 -3.171 1.00 0.00 C ATOM 587 CG GLN A 39 12.003 -5.265 -3.044 1.00 0.00 C ATOM 588 CD GLN A 39 12.651 -5.591 -1.698 1.00 0.00 C ATOM 589 OE1 GLN A 39 12.984 -4.686 -0.929 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.872 -6.849 -1.380 1.00 0.00 N ATOM 0 H GLN A 39 9.709 -3.533 -2.528 1.00 0.00 H new ATOM 0 HA GLN A 39 10.107 -4.920 -5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.102 -5.831 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.576 -6.807 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.608 -5.694 -3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.005 -4.184 -3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.594 -7.593 -2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.321 -7.080 -0.494 1.00 0.00 H new ATOM 599 N TRP A 40 7.684 -5.621 -5.405 1.00 0.00 N ATOM 600 CA TRP A 40 6.265 -5.939 -5.581 1.00 0.00 C ATOM 601 C TRP A 40 5.980 -7.328 -6.163 1.00 0.00 C ATOM 602 O TRP A 40 5.184 -8.036 -5.545 1.00 0.00 O ATOM 603 CB TRP A 40 5.503 -4.782 -6.242 1.00 0.00 C ATOM 604 CG TRP A 40 6.089 -4.076 -7.430 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.682 -2.860 -7.382 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.046 -4.436 -8.847 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.014 -2.452 -8.657 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.632 -3.376 -9.600 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.533 -5.523 -9.584 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.705 -3.391 -11.000 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.619 -5.559 -10.990 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.201 -4.497 -11.698 1.00 0.00 C ATOM 0 H TRP A 40 8.199 -5.529 -6.280 1.00 0.00 H new ATOM 0 HA TRP A 40 5.849 -6.033 -4.578 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.528 -5.166 -6.542 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.326 -4.030 -5.473 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.867 -2.294 -6.481 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.485 -1.573 -8.873 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.065 -6.344 -9.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.144 -2.561 -11.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.233 -6.412 -11.528 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.260 -4.531 -12.776 1.00 0.00 H new ATOM 623 N GLN A 41 6.641 -7.780 -7.240 1.00 0.00 N ATOM 624 CA GLN A 41 6.377 -9.120 -7.799 1.00 0.00 C ATOM 625 C GLN A 41 6.629 -10.212 -6.756 1.00 0.00 C ATOM 626 O GLN A 41 5.869 -11.176 -6.650 1.00 0.00 O ATOM 627 CB GLN A 41 7.236 -9.434 -9.036 1.00 0.00 C ATOM 628 CG GLN A 41 6.903 -8.585 -10.267 1.00 0.00 C ATOM 629 CD GLN A 41 7.336 -9.225 -11.590 1.00 0.00 C ATOM 630 OE1 GLN A 41 6.633 -9.140 -12.597 1.00 0.00 O ATOM 631 NE2 GLN A 41 8.491 -9.864 -11.655 1.00 0.00 N ATOM 0 H GLN A 41 7.354 -7.247 -7.738 1.00 0.00 H new ATOM 0 HA GLN A 41 5.328 -9.109 -8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.286 -9.288 -8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.114 -10.487 -9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.828 -8.406 -10.294 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.386 -7.613 -10.169 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.080 -9.939 -10.825 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.794 -10.282 -12.535 1.00 0.00 H new ATOM 640 N GLN A 42 7.662 -10.033 -5.929 1.00 0.00 N ATOM 641 CA GLN A 42 7.988 -10.958 -4.853 1.00 0.00 C ATOM 642 C GLN A 42 6.805 -11.174 -3.907 1.00 0.00 C ATOM 643 O GLN A 42 6.551 -12.297 -3.487 1.00 0.00 O ATOM 644 CB GLN A 42 9.229 -10.429 -4.129 1.00 0.00 C ATOM 645 CG GLN A 42 10.495 -10.764 -4.935 1.00 0.00 C ATOM 646 CD GLN A 42 11.159 -12.019 -4.386 1.00 0.00 C ATOM 647 OE1 GLN A 42 11.820 -11.949 -3.351 1.00 0.00 O ATOM 648 NE2 GLN A 42 10.987 -13.154 -5.037 1.00 0.00 N ATOM 0 H GLN A 42 8.296 -9.236 -5.992 1.00 0.00 H new ATOM 0 HA GLN A 42 8.207 -11.943 -5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.149 -9.350 -3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.295 -10.870 -3.134 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.237 -10.911 -5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.193 -9.928 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.432 -13.172 -5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.409 -14.013 -4.685 1.00 0.00 H new ATOM 657 N ARG A 43 6.004 -10.141 -3.640 1.00 0.00 N ATOM 658 CA ARG A 43 4.838 -10.238 -2.762 1.00 0.00 C ATOM 659 C ARG A 43 3.580 -10.643 -3.544 1.00 0.00 C ATOM 660 O ARG A 43 2.480 -10.302 -3.125 1.00 0.00 O ATOM 661 CB ARG A 43 4.650 -8.927 -1.981 1.00 0.00 C ATOM 662 CG ARG A 43 5.962 -8.390 -1.373 1.00 0.00 C ATOM 663 CD ARG A 43 5.803 -7.421 -0.187 1.00 0.00 C ATOM 664 NE ARG A 43 4.589 -6.587 -0.235 1.00 0.00 N ATOM 665 CZ ARG A 43 4.202 -5.751 -1.201 1.00 0.00 C ATOM 666 NH1 ARG A 43 4.967 -5.497 -2.253 1.00 0.00 N ATOM 667 NH2 ARG A 43 3.024 -5.153 -1.129 1.00 0.00 N ATOM 0 H ARG A 43 6.147 -9.209 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 43 5.013 -11.031 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.229 -8.172 -2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.926 -9.088 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.563 -9.239 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.524 -7.884 -2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.795 -7.998 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.675 -6.768 -0.149 1.00 0.00 H new ATOM 0 HE ARG A 43 3.967 -6.657 0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.879 -5.945 -2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.644 -4.853 -2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.410 -5.330 -0.334 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.730 -4.515 -1.868 1.00 0.00 H new ATOM 681 N ASN A 44 3.742 -11.309 -4.693 1.00 0.00 N ATOM 682 CA ASN A 44 2.710 -11.789 -5.619 1.00 0.00 C ATOM 683 C ASN A 44 1.978 -10.646 -6.334 1.00 0.00 C ATOM 684 O ASN A 44 0.994 -10.888 -7.029 1.00 0.00 O ATOM 685 CB ASN A 44 1.728 -12.755 -4.918 1.00 0.00 C ATOM 686 CG ASN A 44 1.469 -14.026 -5.722 1.00 0.00 C ATOM 687 OD1 ASN A 44 0.798 -14.017 -6.754 1.00 0.00 O ATOM 688 ND2 ASN A 44 1.972 -15.148 -5.237 1.00 0.00 N ATOM 0 H ASN A 44 4.676 -11.546 -5.027 1.00 0.00 H new ATOM 0 HA ASN A 44 3.225 -12.352 -6.398 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.127 -13.025 -3.940 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.782 -12.241 -4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.807 -16.031 -5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.525 -15.130 -4.380 1.00 0.00 H new ATOM 695 N LEU A 45 2.407 -9.389 -6.165 1.00 0.00 N ATOM 696 CA LEU A 45 1.554 -8.232 -6.423 1.00 0.00 C ATOM 697 C LEU A 45 1.876 -7.543 -7.763 1.00 0.00 C ATOM 698 O LEU A 45 3.009 -7.612 -8.256 1.00 0.00 O ATOM 699 CB LEU A 45 1.652 -7.257 -5.232 1.00 0.00 C ATOM 700 CG LEU A 45 0.684 -7.621 -4.084 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.125 -6.963 -2.778 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.754 -7.166 -4.353 1.00 0.00 C ATOM 0 H LEU A 45 3.347 -9.151 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 45 0.524 -8.577 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.674 -7.254 -4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.437 -6.246 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 45 0.710 -8.708 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.430 -7.232 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.126 -7.307 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.134 -5.880 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.388 -7.449 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.776 -6.083 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.122 -7.642 -5.262 1.00 0.00 H new ATOM 714 N PRO A 46 0.895 -6.820 -8.334 1.00 0.00 N ATOM 715 CA PRO A 46 1.021 -6.034 -9.561 1.00 0.00 C ATOM 716 C PRO A 46 1.918 -4.804 -9.346 1.00 0.00 C ATOM 717 O PRO A 46 2.191 -4.376 -8.215 1.00 0.00 O ATOM 718 CB PRO A 46 -0.409 -5.596 -9.940 1.00 0.00 C ATOM 719 CG PRO A 46 -1.080 -5.580 -8.592 1.00 0.00 C ATOM 720 CD PRO A 46 -0.441 -6.678 -7.794 1.00 0.00 C ATOM 0 HA PRO A 46 1.484 -6.624 -10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.426 -4.617 -10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.884 -6.295 -10.628 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.947 -4.615 -8.103 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.153 -5.743 -8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.411 -6.427 -6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.002 -7.608 -7.886 1.00 0.00 H new ATOM 728 N ALA A 47 2.310 -4.188 -10.460 1.00 0.00 N ATOM 729 CA ALA A 47 2.995 -2.905 -10.503 1.00 0.00 C ATOM 730 C ALA A 47 2.133 -1.814 -9.853 1.00 0.00 C ATOM 731 O ALA A 47 0.902 -1.917 -9.903 1.00 0.00 O ATOM 732 CB ALA A 47 3.273 -2.538 -11.966 1.00 0.00 C ATOM 0 H ALA A 47 2.152 -4.585 -11.386 1.00 0.00 H new ATOM 0 HA ALA A 47 3.932 -2.980 -9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.786 -1.577 -12.009 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.900 -3.305 -12.421 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.331 -2.470 -12.510 1.00 0.00 H new ATOM 738 N PRO A 48 2.730 -0.742 -9.305 1.00 0.00 N ATOM 739 CA PRO A 48 1.988 0.462 -8.948 1.00 0.00 C ATOM 740 C PRO A 48 1.429 1.140 -10.210 1.00 0.00 C ATOM 741 O PRO A 48 1.784 0.771 -11.332 1.00 0.00 O ATOM 742 CB PRO A 48 3.014 1.335 -8.216 1.00 0.00 C ATOM 743 CG PRO A 48 4.344 0.957 -8.861 1.00 0.00 C ATOM 744 CD PRO A 48 4.164 -0.534 -9.143 1.00 0.00 C ATOM 0 HA PRO A 48 1.119 0.265 -8.320 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.797 2.396 -8.340 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.018 1.134 -7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.527 1.523 -9.774 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.186 1.145 -8.195 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.705 -0.829 -10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.555 -1.136 -8.323 1.00 0.00 H new ATOM 752 N ASP A 49 0.563 2.142 -10.053 1.00 0.00 N ATOM 753 CA ASP A 49 0.316 3.102 -11.131 1.00 0.00 C ATOM 754 C ASP A 49 1.547 3.985 -11.254 1.00 0.00 C ATOM 755 O ASP A 49 2.318 4.144 -10.306 1.00 0.00 O ATOM 756 CB ASP A 49 -0.905 4.002 -10.876 1.00 0.00 C ATOM 757 CG ASP A 49 -2.175 3.508 -11.557 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.576 2.343 -11.335 1.00 0.00 O ATOM 759 OD2 ASP A 49 -2.724 4.265 -12.392 1.00 0.00 O ATOM 0 H ASP A 49 0.027 2.310 -9.202 1.00 0.00 H new ATOM 0 HA ASP A 49 0.111 2.537 -12.040 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.080 4.068 -9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.683 5.010 -11.226 1.00 0.00 H new ATOM 764 N ALA A 50 1.672 4.621 -12.407 1.00 0.00 N ATOM 765 CA ALA A 50 2.659 5.635 -12.688 1.00 0.00 C ATOM 766 C ALA A 50 2.433 6.856 -11.787 1.00 0.00 C ATOM 767 O ALA A 50 1.514 7.641 -12.029 1.00 0.00 O ATOM 768 CB ALA A 50 2.463 5.969 -14.157 1.00 0.00 C ATOM 0 H ALA A 50 1.061 4.433 -13.201 1.00 0.00 H new ATOM 0 HA ALA A 50 3.678 5.303 -12.492 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.178 6.736 -14.454 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.621 5.073 -14.758 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.449 6.337 -14.314 1.00 0.00 H new ATOM 774 N GLY A 51 3.261 6.994 -10.756 1.00 0.00 N ATOM 775 CA GLY A 51 3.209 8.052 -9.760 1.00 0.00 C ATOM 776 C GLY A 51 2.644 7.536 -8.442 1.00 0.00 C ATOM 777 O GLY A 51 1.890 8.243 -7.771 1.00 0.00 O ATOM 0 H GLY A 51 4.023 6.337 -10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.209 8.453 -9.598 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.592 8.872 -10.128 1.00 0.00 H new ATOM 781 N SER A 52 2.883 6.271 -8.089 1.00 0.00 N ATOM 782 CA SER A 52 2.401 5.705 -6.836 1.00 0.00 C ATOM 783 C SER A 52 3.342 4.614 -6.356 1.00 0.00 C ATOM 784 O SER A 52 4.272 4.226 -7.066 1.00 0.00 O ATOM 785 CB SER A 52 0.965 5.193 -7.007 1.00 0.00 C ATOM 786 OG SER A 52 0.834 4.298 -8.086 1.00 0.00 O ATOM 0 H SER A 52 3.414 5.616 -8.663 1.00 0.00 H new ATOM 0 HA SER A 52 2.384 6.480 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.648 4.698 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.297 6.041 -7.160 1.00 0.00 H new ATOM 0 HG SER A 52 1.613 4.379 -8.675 1.00 0.00 H new ATOM 792 N HIS A 53 3.098 4.097 -5.155 1.00 0.00 N ATOM 793 CA HIS A 53 3.864 2.986 -4.632 1.00 0.00 C ATOM 794 C HIS A 53 3.065 2.232 -3.585 1.00 0.00 C ATOM 795 O HIS A 53 2.101 2.745 -3.011 1.00 0.00 O ATOM 796 CB HIS A 53 5.193 3.461 -4.043 1.00 0.00 C ATOM 797 CG HIS A 53 5.091 4.539 -2.990 1.00 0.00 C ATOM 798 ND1 HIS A 53 4.916 5.889 -3.222 1.00 0.00 N ATOM 799 CD2 HIS A 53 5.171 4.352 -1.636 1.00 0.00 C ATOM 800 CE1 HIS A 53 4.863 6.499 -2.026 1.00 0.00 C ATOM 801 NE2 HIS A 53 5.067 5.610 -1.037 1.00 0.00 N ATOM 0 H HIS A 53 2.369 4.437 -4.527 1.00 0.00 H new ATOM 0 HA HIS A 53 4.081 2.311 -5.460 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.706 2.602 -3.610 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.819 3.830 -4.856 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.292 3.408 -1.126 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.682 7.554 -1.879 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.133 5.815 -0.040 1.00 0.00 H new ATOM 809 N TRP A 54 3.472 0.984 -3.373 1.00 0.00 N ATOM 810 CA TRP A 54 2.891 0.134 -2.362 1.00 0.00 C ATOM 811 C TRP A 54 3.437 0.515 -0.991 1.00 0.00 C ATOM 812 O TRP A 54 4.630 0.799 -0.870 1.00 0.00 O ATOM 813 CB TRP A 54 3.182 -1.327 -2.703 1.00 0.00 C ATOM 814 CG TRP A 54 2.438 -1.802 -3.911 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.911 -1.869 -5.179 1.00 0.00 C ATOM 816 CD2 TRP A 54 1.042 -2.211 -3.978 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.921 -2.365 -6.007 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.726 -2.497 -5.334 1.00 0.00 C ATOM 819 CE3 TRP A 54 0.005 -2.336 -3.031 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.572 -2.821 -5.739 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.311 -2.648 -3.419 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.605 -2.863 -4.776 1.00 0.00 C ATOM 0 H TRP A 54 4.220 0.540 -3.906 1.00 0.00 H new ATOM 0 HA TRP A 54 1.809 0.267 -2.334 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.252 -1.450 -2.870 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.919 -1.953 -1.851 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.903 -1.581 -5.493 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.058 -2.603 -6.989 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.226 -2.189 -1.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.783 -3.037 -6.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.092 -2.722 -2.677 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.621 -3.061 -5.083 1.00 0.00 H new ATOM 833 N THR A 55 2.607 0.435 0.043 1.00 0.00 N ATOM 834 CA THR A 55 2.994 0.569 1.437 1.00 0.00 C ATOM 835 C THR A 55 2.374 -0.586 2.238 1.00 0.00 C ATOM 836 O THR A 55 1.575 -1.364 1.696 1.00 0.00 O ATOM 837 CB THR A 55 2.632 1.972 1.976 1.00 0.00 C ATOM 838 OG1 THR A 55 1.245 2.126 2.157 1.00 0.00 O ATOM 839 CG2 THR A 55 3.095 3.111 1.070 1.00 0.00 C ATOM 0 H THR A 55 1.608 0.268 -0.075 1.00 0.00 H new ATOM 0 HA THR A 55 4.076 0.493 1.544 1.00 0.00 H new ATOM 0 HB THR A 55 3.157 2.033 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.058 3.025 2.500 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.807 4.066 1.510 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.179 3.073 0.963 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.629 3.008 0.090 1.00 0.00 H new ATOM 847 N TYR A 56 2.745 -0.726 3.515 1.00 0.00 N ATOM 848 CA TYR A 56 2.124 -1.648 4.456 1.00 0.00 C ATOM 849 C TYR A 56 1.324 -0.818 5.464 1.00 0.00 C ATOM 850 O TYR A 56 1.888 0.074 6.110 1.00 0.00 O ATOM 851 CB TYR A 56 3.208 -2.501 5.150 1.00 0.00 C ATOM 852 CG TYR A 56 2.865 -3.967 5.369 1.00 0.00 C ATOM 853 CD1 TYR A 56 1.536 -4.387 5.554 1.00 0.00 C ATOM 854 CD2 TYR A 56 3.895 -4.926 5.373 1.00 0.00 C ATOM 855 CE1 TYR A 56 1.233 -5.750 5.689 1.00 0.00 C ATOM 856 CE2 TYR A 56 3.608 -6.296 5.529 1.00 0.00 C ATOM 857 CZ TYR A 56 2.264 -6.714 5.657 1.00 0.00 C ATOM 858 OH TYR A 56 1.940 -8.034 5.672 1.00 0.00 O ATOM 0 H TYR A 56 3.505 -0.185 3.928 1.00 0.00 H new ATOM 0 HA TYR A 56 1.453 -2.338 3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.120 -2.447 4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.431 -2.052 6.118 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.743 -3.655 5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.920 -4.607 5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.207 -6.063 5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.408 -7.021 5.551 1.00 0.00 H new ATOM 0 HH TYR A 56 2.024 -8.402 4.768 1.00 0.00 H new ATOM 868 N MET A 57 0.020 -1.059 5.582 1.00 0.00 N ATOM 869 CA MET A 57 -0.833 -0.558 6.656 1.00 0.00 C ATOM 870 C MET A 57 -0.821 -1.588 7.794 1.00 0.00 C ATOM 871 O MET A 57 0.043 -2.469 7.830 1.00 0.00 O ATOM 872 CB MET A 57 -2.237 -0.354 6.077 1.00 0.00 C ATOM 873 CG MET A 57 -2.328 0.884 5.194 1.00 0.00 C ATOM 874 SD MET A 57 -2.770 2.413 6.048 1.00 0.00 S ATOM 875 CE MET A 57 -2.833 3.518 4.613 1.00 0.00 C ATOM 0 H MET A 57 -0.490 -1.629 4.907 1.00 0.00 H new ATOM 0 HA MET A 57 -0.483 0.393 7.058 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.518 -1.232 5.496 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.954 -0.268 6.893 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.367 1.028 4.700 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.064 0.699 4.412 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.359 4.434 4.882 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.819 3.762 4.297 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.359 3.024 3.796 1.00 0.00 H new ATOM 885 N GLY A 58 -1.794 -1.500 8.702 1.00 0.00 N ATOM 886 CA GLY A 58 -1.938 -2.284 9.920 1.00 0.00 C ATOM 887 C GLY A 58 -1.973 -3.805 9.751 1.00 0.00 C ATOM 888 O GLY A 58 -1.865 -4.524 10.749 1.00 0.00 O ATOM 0 H GLY A 58 -2.555 -0.829 8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.113 -2.033 10.587 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.856 -1.975 10.419 1.00 0.00 H new ATOM 892 N GLY A 59 -2.117 -4.296 8.520 1.00 0.00 N ATOM 893 CA GLY A 59 -2.030 -5.699 8.146 1.00 0.00 C ATOM 894 C GLY A 59 -2.224 -5.923 6.648 1.00 0.00 C ATOM 895 O GLY A 59 -2.222 -7.064 6.203 1.00 0.00 O ATOM 0 H GLY A 59 -2.307 -3.692 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.058 -6.091 8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.784 -6.264 8.694 1.00 0.00 H new ATOM 899 N ASN A 60 -2.344 -4.856 5.851 1.00 0.00 N ATOM 900 CA ASN A 60 -2.723 -4.895 4.445 1.00 0.00 C ATOM 901 C ASN A 60 -1.740 -4.101 3.611 1.00 0.00 C ATOM 902 O ASN A 60 -1.129 -3.146 4.092 1.00 0.00 O ATOM 903 CB ASN A 60 -4.136 -4.336 4.254 1.00 0.00 C ATOM 904 CG ASN A 60 -4.357 -2.950 4.825 1.00 0.00 C ATOM 905 OD1 ASN A 60 -4.302 -1.968 4.105 1.00 0.00 O ATOM 906 ND2 ASN A 60 -4.580 -2.843 6.128 1.00 0.00 N ATOM 0 H ASN A 60 -2.172 -3.908 6.186 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.708 -5.934 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.361 -4.314 3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.847 -5.021 4.716 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.710 -1.923 6.549 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.621 -3.680 6.709 1.00 0.00 H new ATOM 913 N TYR A 61 -1.605 -4.492 2.349 1.00 0.00 N ATOM 914 CA TYR A 61 -0.775 -3.833 1.368 1.00 0.00 C ATOM 915 C TYR A 61 -1.642 -2.901 0.550 1.00 0.00 C ATOM 916 O TYR A 61 -2.666 -3.302 -0.006 1.00 0.00 O ATOM 917 CB TYR A 61 -0.145 -4.860 0.433 1.00 0.00 C ATOM 918 CG TYR A 61 0.834 -5.780 1.119 1.00 0.00 C ATOM 919 CD1 TYR A 61 1.977 -5.245 1.738 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.612 -7.167 1.125 1.00 0.00 C ATOM 921 CE1 TYR A 61 2.926 -6.099 2.316 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.561 -8.026 1.704 1.00 0.00 C ATOM 923 CZ TYR A 61 2.721 -7.493 2.309 1.00 0.00 C ATOM 924 OH TYR A 61 3.684 -8.298 2.822 1.00 0.00 O ATOM 0 H TYR A 61 -2.091 -5.307 1.975 1.00 0.00 H new ATOM 0 HA TYR A 61 0.015 -3.281 1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.935 -5.458 -0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.366 -4.338 -0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.124 -4.175 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.287 -7.573 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.817 -5.688 2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.404 -9.094 1.687 1.00 0.00 H new ATOM 0 HH TYR A 61 3.884 -9.015 2.185 1.00 0.00 H new ATOM 934 N VAL A 62 -1.208 -1.662 0.413 1.00 0.00 N ATOM 935 CA VAL A 62 -2.026 -0.623 -0.176 1.00 0.00 C ATOM 936 C VAL A 62 -1.172 0.162 -1.138 1.00 0.00 C ATOM 937 O VAL A 62 0.048 0.185 -1.027 1.00 0.00 O ATOM 938 CB VAL A 62 -2.603 0.273 0.925 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.838 -0.352 1.546 1.00 0.00 C ATOM 940 CG2 VAL A 62 -1.598 0.514 2.031 1.00 0.00 C ATOM 0 H VAL A 62 -0.282 -1.350 0.706 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.867 -1.055 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.859 1.219 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.226 0.305 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.599 -0.495 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.578 -1.316 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.043 1.153 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.313 -0.439 2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.714 1.001 1.620 1.00 0.00 H new ATOM 950 N LEU A 63 -1.839 0.780 -2.090 1.00 0.00 N ATOM 951 CA LEU A 63 -1.247 1.501 -3.215 1.00 0.00 C ATOM 952 C LEU A 63 -1.704 2.952 -3.173 1.00 0.00 C ATOM 953 O LEU A 63 -2.902 3.226 -3.285 1.00 0.00 O ATOM 954 CB LEU A 63 -1.625 0.819 -4.535 1.00 0.00 C ATOM 955 CG LEU A 63 -1.038 1.500 -5.787 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.496 1.556 -5.771 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.525 0.720 -7.022 1.00 0.00 C ATOM 0 H LEU A 63 -2.859 0.799 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.160 1.484 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.287 -0.217 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.711 0.797 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.381 2.534 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.852 2.046 -6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.830 2.118 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.897 0.543 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.124 1.181 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.182 -0.313 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.614 0.739 -7.058 1.00 0.00 H new ATOM 969 N ILE A 64 -0.761 3.868 -2.978 1.00 0.00 N ATOM 970 CA ILE A 64 -1.029 5.274 -2.703 1.00 0.00 C ATOM 971 C ILE A 64 -0.187 6.144 -3.638 1.00 0.00 C ATOM 972 O ILE A 64 0.951 5.788 -3.964 1.00 0.00 O ATOM 973 CB ILE A 64 -0.790 5.561 -1.203 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.663 5.291 -0.749 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.777 4.758 -0.337 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.422 6.586 -0.473 1.00 0.00 C ATOM 0 H ILE A 64 0.234 3.647 -3.008 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.072 5.521 -2.903 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.964 6.628 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.654 4.676 0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.184 4.722 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.595 4.972 0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.798 5.040 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.638 3.692 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.438 6.352 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.454 7.189 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.916 7.143 0.315 1.00 0.00 H new ATOM 988 N THR A 65 -0.755 7.252 -4.112 1.00 0.00 N ATOM 989 CA THR A 65 -0.057 8.182 -4.992 1.00 0.00 C ATOM 990 C THR A 65 1.013 8.937 -4.225 1.00 0.00 C ATOM 991 O THR A 65 0.802 9.323 -3.078 1.00 0.00 O ATOM 992 CB THR A 65 -1.021 9.163 -5.677 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.250 9.312 -5.005 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.317 8.710 -7.097 1.00 0.00 C ATOM 0 H THR A 65 -1.713 7.528 -3.895 1.00 0.00 H new ATOM 0 HA THR A 65 0.417 7.593 -5.777 1.00 0.00 H new ATOM 0 HB THR A 65 -0.511 10.126 -5.664 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.794 8.507 -5.136 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.001 9.415 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.389 8.669 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.774 7.721 -7.076 1.00 0.00 H new ATOM 1002 N ASP A 66 2.133 9.198 -4.892 1.00 0.00 N ATOM 1003 CA ASP A 66 3.286 9.862 -4.289 1.00 0.00 C ATOM 1004 C ASP A 66 3.057 11.317 -3.889 1.00 0.00 C ATOM 1005 O ASP A 66 3.776 11.868 -3.059 1.00 0.00 O ATOM 1006 CB ASP A 66 4.491 9.759 -5.228 1.00 0.00 C ATOM 1007 CG ASP A 66 4.406 10.436 -6.603 1.00 0.00 C ATOM 1008 OD1 ASP A 66 3.983 11.605 -6.742 1.00 0.00 O ATOM 1009 OD2 ASP A 66 4.856 9.785 -7.569 1.00 0.00 O ATOM 0 H ASP A 66 2.268 8.953 -5.873 1.00 0.00 H new ATOM 0 HA ASP A 66 3.472 9.334 -3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.354 10.173 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.695 8.701 -5.391 1.00 0.00 H new ATOM 1014 N THR A 67 2.025 11.917 -4.450 1.00 0.00 N ATOM 1015 CA THR A 67 1.759 13.344 -4.453 1.00 0.00 C ATOM 1016 C THR A 67 0.413 13.650 -3.780 1.00 0.00 C ATOM 1017 O THR A 67 0.096 14.807 -3.513 1.00 0.00 O ATOM 1018 CB THR A 67 1.855 13.789 -5.929 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.626 15.171 -6.097 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.937 12.952 -6.844 1.00 0.00 C ATOM 0 H THR A 67 1.306 11.390 -4.946 1.00 0.00 H new ATOM 0 HA THR A 67 2.480 13.911 -3.864 1.00 0.00 H new ATOM 0 HB THR A 67 2.884 13.602 -6.235 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.699 15.402 -7.047 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.035 13.298 -7.873 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.224 11.902 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.098 13.064 -6.521 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.385 12.624 -3.478 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.797 12.752 -3.134 1.00 0.00 C ATOM 1030 C GLU A 68 -2.146 11.704 -2.085 1.00 0.00 C ATOM 1031 O GLU A 68 -2.726 12.037 -1.055 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.597 12.658 -4.449 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.115 12.437 -4.429 1.00 0.00 C ATOM 1034 CD GLU A 68 -4.735 12.758 -5.804 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -4.241 12.255 -6.838 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.656 13.600 -5.901 1.00 0.00 O ATOM 0 H GLU A 68 -0.056 11.658 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.049 13.709 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.414 13.579 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.162 11.846 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.333 11.404 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.569 13.068 -3.665 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.720 10.455 -2.270 1.00 0.00 N ATOM 1044 CA GLY A 69 -2.065 9.378 -1.364 1.00 0.00 C ATOM 1045 C GLY A 69 -3.478 8.843 -1.596 1.00 0.00 C ATOM 1046 O GLY A 69 -4.078 8.267 -0.688 1.00 0.00 O ATOM 0 H GLY A 69 -1.129 10.170 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.349 8.565 -1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.979 9.731 -0.336 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.045 9.037 -2.787 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.308 8.433 -3.187 1.00 0.00 C ATOM 1052 C LYS A 70 -5.170 6.919 -3.085 1.00 0.00 C ATOM 1053 O LYS A 70 -4.204 6.339 -3.569 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.667 8.894 -4.606 1.00 0.00 C ATOM 1055 CG LYS A 70 -6.639 10.087 -4.598 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.125 9.750 -4.482 1.00 0.00 C ATOM 1057 CE LYS A 70 -8.561 8.798 -5.594 1.00 0.00 C ATOM 1058 NZ LYS A 70 -8.638 7.411 -5.099 1.00 0.00 N ATOM 0 H LYS A 70 -3.631 9.627 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.121 8.746 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.757 9.172 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.116 8.065 -5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.371 10.741 -3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.488 10.657 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.323 9.296 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.714 10.666 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.533 9.105 -5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.856 8.854 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.293 6.866 -5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.694 6.976 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.981 7.411 -4.117 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.150 6.292 -2.447 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.256 4.860 -2.209 1.00 0.00 C ATOM 1074 C ILE A 71 -6.655 4.249 -3.533 1.00 0.00 C ATOM 1075 O ILE A 71 -7.843 4.207 -3.868 1.00 0.00 O ATOM 1076 CB ILE A 71 -7.269 4.566 -1.074 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.728 5.281 0.179 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.455 3.057 -0.797 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.539 5.065 1.445 1.00 0.00 C ATOM 0 H ILE A 71 -6.942 6.804 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.316 4.426 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.256 4.926 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.707 4.944 0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.679 6.351 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.177 2.921 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.820 2.564 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.500 2.620 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.078 5.608 2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.555 5.430 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.567 4.001 1.682 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.654 3.860 -4.318 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.890 3.254 -5.611 1.00 0.00 C ATOM 1093 C LEU A 72 -6.402 1.830 -5.416 1.00 0.00 C ATOM 1094 O LEU A 72 -7.446 1.483 -5.967 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.632 3.293 -6.497 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.996 4.686 -6.699 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.952 4.624 -7.817 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -5.026 5.772 -7.045 1.00 0.00 C ATOM 0 H LEU A 72 -4.669 3.957 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.651 3.831 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.883 2.632 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.887 2.885 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.535 4.957 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.507 5.610 -7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.174 3.909 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.430 4.309 -8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.518 6.727 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.539 5.506 -7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.753 5.855 -6.237 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.674 0.981 -4.682 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.950 -0.454 -4.601 1.00 0.00 C ATOM 1112 C LYS A 73 -5.485 -0.986 -3.258 1.00 0.00 C ATOM 1113 O LYS A 73 -4.456 -0.537 -2.754 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.170 -1.195 -5.693 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.663 -0.896 -7.116 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.725 -1.561 -8.117 1.00 0.00 C ATOM 1117 CE LYS A 73 -5.108 -2.915 -8.721 1.00 0.00 C ATOM 1118 NZ LYS A 73 -6.055 -3.730 -7.923 1.00 0.00 N ATOM 0 H LYS A 73 -4.872 1.274 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.021 -0.610 -4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.116 -0.927 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.239 -2.268 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.679 -1.268 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.693 0.180 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.580 -0.864 -8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.758 -1.682 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.545 -2.743 -9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.198 -3.495 -8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.842 -4.739 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.961 -3.486 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.028 -3.538 -8.236 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.165 -2.004 -2.746 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.868 -2.633 -1.474 1.00 0.00 C ATOM 1134 C VAL A 74 -5.786 -4.130 -1.767 1.00 0.00 C ATOM 1135 O VAL A 74 -6.606 -4.667 -2.523 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.978 -2.290 -0.452 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.620 -2.786 0.957 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -7.281 -0.780 -0.391 1.00 0.00 C ATOM 0 H VAL A 74 -6.963 -2.425 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.934 -2.284 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.872 -2.806 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.422 -2.528 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.490 -3.868 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.693 -2.315 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.067 -0.596 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.380 -0.240 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.611 -0.435 -1.371 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.791 -4.793 -1.188 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.769 -6.245 -1.032 1.00 0.00 C ATOM 1150 C TYR A 75 -4.413 -6.574 0.412 1.00 0.00 C ATOM 1151 O TYR A 75 -3.652 -5.840 1.041 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.770 -6.897 -1.991 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.241 -6.903 -3.433 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -5.006 -7.976 -3.926 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.944 -5.817 -4.273 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.474 -7.967 -5.251 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -4.418 -5.802 -5.594 1.00 0.00 C ATOM 1158 CZ TYR A 75 -5.188 -6.871 -6.094 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.641 -6.815 -7.379 1.00 0.00 O ATOM 0 H TYR A 75 -3.965 -4.331 -0.808 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.754 -6.643 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.819 -6.368 -1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.586 -7.923 -1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.235 -8.812 -3.282 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.351 -4.994 -3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.053 -8.799 -5.625 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.190 -4.962 -6.234 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.489 -7.301 -7.448 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.931 -7.671 0.953 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.618 -8.050 2.328 1.00 0.00 C ATOM 1171 C ASP A 76 -3.182 -8.581 2.418 1.00 0.00 C ATOM 1172 O ASP A 76 -2.652 -9.099 1.434 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.623 -9.095 2.823 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.713 -9.126 4.348 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.928 -8.430 5.028 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -6.619 -9.824 4.850 1.00 0.00 O ATOM 0 H ASP A 76 -5.563 -8.308 0.468 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.693 -7.171 2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.607 -8.878 2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.332 -10.080 2.457 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.551 -8.516 3.590 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.203 -9.020 3.840 1.00 0.00 C ATOM 1183 C GLY A 77 -1.120 -10.541 3.753 1.00 0.00 C ATOM 1184 O GLY A 77 -0.021 -11.100 3.677 1.00 0.00 O ATOM 0 H GLY A 77 -2.978 -8.098 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.515 -8.580 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.876 -8.698 4.829 1.00 0.00 H new ATOM 1188 N GLU A 78 -2.271 -11.213 3.707 1.00 0.00 N ATOM 1189 CA GLU A 78 -2.416 -12.628 3.420 1.00 0.00 C ATOM 1190 C GLU A 78 -1.741 -13.013 2.103 1.00 0.00 C ATOM 1191 O GLU A 78 -1.204 -14.118 2.005 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.914 -12.956 3.344 1.00 0.00 C ATOM 1193 CG GLU A 78 -4.576 -13.128 4.712 1.00 0.00 C ATOM 1194 CD GLU A 78 -4.356 -14.543 5.251 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -3.172 -14.963 5.339 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -5.360 -15.217 5.559 1.00 0.00 O ATOM 0 H GLU A 78 -3.167 -10.757 3.878 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.932 -13.196 4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.424 -12.160 2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.048 -13.872 2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.167 -12.400 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.644 -12.927 4.631 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.724 -12.117 1.111 1.00 0.00 N ATOM 1204 CA ILE A 79 -1.164 -12.404 -0.203 1.00 0.00 C ATOM 1205 C ILE A 79 0.333 -12.738 -0.133 1.00 0.00 C ATOM 1206 O ILE A 79 0.847 -13.422 -1.015 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.476 -11.227 -1.153 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.239 -11.645 -2.615 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.661 -9.962 -0.819 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -1.764 -10.612 -3.613 1.00 0.00 C ATOM 0 H ILE A 79 -2.100 -11.173 1.202 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.634 -13.301 -0.605 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.527 -10.974 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.172 -11.793 -2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.726 -12.603 -2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.920 -9.167 -1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.889 -9.640 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.403 -10.183 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.571 -10.957 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.837 -10.482 -3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.259 -9.660 -3.451 1.00 0.00 H new ATOM 1222 N PHE A 80 1.043 -12.293 0.913 1.00 0.00 N ATOM 1223 CA PHE A 80 2.479 -12.512 1.010 1.00 0.00 C ATOM 1224 C PHE A 80 2.819 -14.003 1.090 1.00 0.00 C ATOM 1225 O PHE A 80 3.896 -14.400 0.643 1.00 0.00 O ATOM 1226 CB PHE A 80 3.050 -11.771 2.224 1.00 0.00 C ATOM 1227 CG PHE A 80 4.566 -11.744 2.236 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.261 -10.761 1.508 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.285 -12.729 2.936 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.667 -10.748 1.499 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.689 -12.718 2.921 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.380 -11.723 2.214 1.00 0.00 C ATOM 0 H PHE A 80 0.641 -11.781 1.698 1.00 0.00 H new ATOM 0 HA PHE A 80 2.936 -12.116 0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.673 -10.748 2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.692 -12.248 3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.713 -10.014 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.757 -13.494 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.197 -9.989 0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.239 -13.478 3.456 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.460 -11.707 2.220 1.00 0.00 H new ATOM 1242 N TYR A 81 1.929 -14.820 1.666 1.00 0.00 N ATOM 1243 CA TYR A 81 2.163 -16.250 1.814 1.00 0.00 C ATOM 1244 C TYR A 81 1.935 -16.992 0.500 1.00 0.00 C ATOM 1245 O TYR A 81 2.533 -18.054 0.294 1.00 0.00 O ATOM 1246 CB TYR A 81 1.257 -16.831 2.908 1.00 0.00 C ATOM 1247 CG TYR A 81 1.396 -16.149 4.257 1.00 0.00 C ATOM 1248 CD1 TYR A 81 2.540 -16.350 5.053 1.00 0.00 C ATOM 1249 CD2 TYR A 81 0.372 -15.306 4.721 1.00 0.00 C ATOM 1250 CE1 TYR A 81 2.678 -15.679 6.285 1.00 0.00 C ATOM 1251 CE2 TYR A 81 0.502 -14.630 5.940 1.00 0.00 C ATOM 1252 CZ TYR A 81 1.653 -14.811 6.733 1.00 0.00 C ATOM 1253 OH TYR A 81 1.758 -14.114 7.896 1.00 0.00 O ATOM 0 H TYR A 81 1.033 -14.505 2.039 1.00 0.00 H new ATOM 0 HA TYR A 81 3.205 -16.385 2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.220 -16.758 2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.481 -17.891 3.025 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.316 -17.022 4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.524 -15.178 4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 81 3.563 -15.827 6.886 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.283 -13.967 6.274 1.00 0.00 H new ATOM 0 HH TYR A 81 0.951 -13.573 8.027 1.00 0.00 H new ATOM 1263 N HIS A 82 1.103 -16.441 -0.385 1.00 0.00 N ATOM 1264 CA HIS A 82 0.767 -17.031 -1.671 1.00 0.00 C ATOM 1265 C HIS A 82 2.022 -17.075 -2.543 1.00 0.00 C ATOM 1266 O HIS A 82 2.861 -16.169 -2.492 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.365 -16.234 -2.330 1.00 0.00 C ATOM 1268 CG HIS A 82 -0.930 -16.888 -3.565 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -1.301 -18.210 -3.710 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.182 -16.254 -4.749 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -1.741 -18.365 -4.972 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -1.680 -17.206 -5.646 1.00 0.00 N ATOM 0 H HIS A 82 0.635 -15.550 -0.218 1.00 0.00 H new ATOM 0 HA HIS A 82 0.410 -18.052 -1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.167 -16.093 -1.606 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.006 -15.243 -2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.025 -15.206 -4.956 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.096 -19.297 -5.387 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.944 -17.050 -6.619 1.00 0.00 H new ATOM 1280 N ARG A 83 2.172 -18.140 -3.330 1.00 0.00 N ATOM 1281 CA ARG A 83 3.321 -18.380 -4.194 1.00 0.00 C ATOM 1282 C ARG A 83 2.767 -18.691 -5.570 1.00 0.00 C ATOM 1283 O ARG A 83 2.998 -19.810 -6.079 1.00 0.00 O ATOM 1284 CB ARG A 83 4.228 -19.488 -3.615 1.00 0.00 C ATOM 1285 CG ARG A 83 4.840 -19.145 -2.250 1.00 0.00 C ATOM 1286 CD ARG A 83 6.206 -19.800 -2.000 1.00 0.00 C ATOM 1287 NE ARG A 83 6.152 -21.272 -2.081 1.00 0.00 N ATOM 1288 CZ ARG A 83 6.727 -22.026 -3.028 1.00 0.00 C ATOM 1289 NH1 ARG A 83 7.579 -21.484 -3.890 1.00 0.00 N ATOM 1290 NH2 ARG A 83 6.456 -23.322 -3.113 1.00 0.00 N ATOM 0 H ARG A 83 1.473 -18.881 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 83 3.972 -17.509 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.648 -20.406 -3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.033 -19.691 -4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.947 -18.063 -2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.150 -19.455 -1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.924 -19.426 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.571 -19.507 -1.016 1.00 0.00 H new ATOM 0 HE ARG A 83 5.631 -21.759 -1.352 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.799 -20.490 -3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.014 -22.062 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.806 -23.751 -2.455 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.898 -23.889 -3.837 1.00 0.00 H new TER 1304 ARG A 83