USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 656 hydrogens (32 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 NoAdj-H: A 81 HEC HAC : A 81 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC HAB : A 81 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC H2D : A 81 HEC O2D : A 81 HEC CGD :(short bond) USER MOD NoAdj-H: A 81 HEC H2A : A 81 HEC O2A : A 81 HEC CGA :(short bond) USER MOD Set 1.1: A 59 MET CE :methyl 167:sc= -2.11 (180deg=-2.45) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.11 K(o=-3.2,f=-5.8!) USER MOD Set 2.1: A 14 HIS : no HE2:sc= -3.56! C(o=-5.6!,f=-13!) USER MOD Set 2.2: A 25 TYR OH : rot 30:sc= -2.06! USER MOD Single : A 1 ASN : amide:sc= -2.4 K(o=-2.4,f=-6.1!) USER MOD Single : A 1 ASN N :NH3+ -169:sc= -0.0436 (180deg=-0.227) USER MOD Single : A 3 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -150:sc= -1.32 (180deg=-3.17!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= -0.798 (180deg=-1.35) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.119) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -148:sc= -0.438 (180deg=-2.01!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= -0.07 (180deg=-0.459) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 110:sc= 0.718 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -5.9! C(o=-5.9!,f=-12!) USER MOD Single : A 74 GLN : amide:sc= -0.826 X(o=-0.83,f=-0.4) USER MOD Single : A 78 SER OG : rot 0:sc= 0.779! USER MOD Single : A 80 LYS NZ :NH3+ -159:sc= -0.167 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 65.121 -12.455 5.747 1.00 0.00 N ATOM 2 CA ASN A 1 63.904 -11.817 5.168 1.00 0.00 C ATOM 3 C ASN A 1 63.383 -10.748 6.130 1.00 0.00 C ATOM 4 O ASN A 1 62.774 -9.777 5.725 1.00 0.00 O ATOM 5 CB ASN A 1 62.824 -12.881 4.949 1.00 0.00 C ATOM 6 CG ASN A 1 62.222 -13.290 6.297 1.00 0.00 C ATOM 7 OD1 ASN A 1 61.491 -12.532 6.904 1.00 0.00 O ATOM 8 ND2 ASN A 1 62.501 -14.464 6.793 1.00 0.00 N ATOM 0 H1 ASN A 1 65.582 -13.043 5.024 1.00 0.00 H new ATOM 0 H2 ASN A 1 65.781 -11.717 6.066 1.00 0.00 H new ATOM 0 H3 ASN A 1 64.850 -13.050 6.556 1.00 0.00 H new ATOM 0 HA ASN A 1 64.155 -11.354 4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 1 62.044 -12.492 4.294 1.00 0.00 H new ATOM 0 HB3 ASN A 1 63.253 -13.751 4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 1 62.106 -14.746 7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 1 63.114 -15.100 6.284 1.00 0.00 H new ATOM 17 N GLU A 2 63.618 -10.917 7.402 1.00 0.00 N ATOM 18 CA GLU A 2 63.137 -9.909 8.389 1.00 0.00 C ATOM 19 C GLU A 2 64.112 -9.844 9.565 1.00 0.00 C ATOM 20 O GLU A 2 64.080 -10.663 10.461 1.00 0.00 O ATOM 21 CB GLU A 2 61.750 -10.311 8.894 1.00 0.00 C ATOM 22 CG GLU A 2 60.681 -9.588 8.073 1.00 0.00 C ATOM 23 CD GLU A 2 60.342 -8.253 8.738 1.00 0.00 C ATOM 24 OE1 GLU A 2 61.100 -7.315 8.561 1.00 0.00 O ATOM 25 OE2 GLU A 2 59.329 -8.192 9.416 1.00 0.00 O ATOM 0 H GLU A 2 64.122 -11.709 7.801 1.00 0.00 H new ATOM 0 HA GLU A 2 63.078 -8.931 7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 2 61.620 -11.390 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 2 61.647 -10.057 9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 2 61.040 -9.420 7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 2 59.786 -10.206 7.997 1.00 0.00 H new ATOM 32 N GLN A 3 64.983 -8.873 9.567 1.00 0.00 N ATOM 33 CA GLN A 3 65.964 -8.747 10.679 1.00 0.00 C ATOM 34 C GLN A 3 66.962 -7.641 10.342 1.00 0.00 C ATOM 35 O GLN A 3 67.315 -6.829 11.175 1.00 0.00 O ATOM 36 CB GLN A 3 66.708 -10.072 10.858 1.00 0.00 C ATOM 37 CG GLN A 3 66.698 -10.471 12.334 1.00 0.00 C ATOM 38 CD GLN A 3 65.729 -11.635 12.543 1.00 0.00 C ATOM 39 OE1 GLN A 3 65.609 -12.500 11.698 1.00 0.00 O ATOM 40 NE2 GLN A 3 65.027 -11.695 13.642 1.00 0.00 N ATOM 0 H GLN A 3 65.057 -8.159 8.843 1.00 0.00 H new ATOM 0 HA GLN A 3 65.442 -8.501 11.604 1.00 0.00 H new ATOM 0 HB2 GLN A 3 66.236 -10.850 10.258 1.00 0.00 H new ATOM 0 HB3 GLN A 3 67.734 -9.975 10.504 1.00 0.00 H new ATOM 0 HG2 GLN A 3 67.701 -10.758 12.651 1.00 0.00 H new ATOM 0 HG3 GLN A 3 66.400 -9.622 12.949 1.00 0.00 H new ATOM 0 HE21 GLN A 3 65.127 -10.969 14.352 1.00 0.00 H new ATOM 0 HE22 GLN A 3 64.378 -12.468 13.791 1.00 0.00 H new ATOM 49 N LEU A 4 67.413 -7.600 9.120 1.00 0.00 N ATOM 50 CA LEU A 4 68.381 -6.545 8.716 1.00 0.00 C ATOM 51 C LEU A 4 67.624 -5.251 8.413 1.00 0.00 C ATOM 52 O LEU A 4 68.209 -4.244 8.069 1.00 0.00 O ATOM 53 CB LEU A 4 69.136 -7.000 7.466 1.00 0.00 C ATOM 54 CG LEU A 4 70.076 -8.150 7.829 1.00 0.00 C ATOM 55 CD1 LEU A 4 70.854 -8.586 6.585 1.00 0.00 C ATOM 56 CD2 LEU A 4 71.056 -7.686 8.908 1.00 0.00 C ATOM 0 H LEU A 4 67.152 -8.254 8.382 1.00 0.00 H new ATOM 0 HA LEU A 4 69.090 -6.370 9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 4 68.431 -7.321 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 4 69.705 -6.169 7.049 1.00 0.00 H new ATOM 0 HG LEU A 4 69.493 -8.991 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 4 71.524 -9.406 6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 4 70.155 -8.917 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 4 71.437 -7.746 6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 4 71.726 -8.505 9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 4 71.639 -6.845 8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.502 -7.376 9.794 1.00 0.00 H new ATOM 68 N ALA A 5 66.324 -5.269 8.541 1.00 0.00 N ATOM 69 CA ALA A 5 65.529 -4.040 8.263 1.00 0.00 C ATOM 70 C ALA A 5 64.819 -3.599 9.545 1.00 0.00 C ATOM 71 O ALA A 5 64.570 -2.430 9.758 1.00 0.00 O ATOM 72 CB ALA A 5 64.491 -4.339 7.179 1.00 0.00 C ATOM 0 H ALA A 5 65.779 -6.083 8.826 1.00 0.00 H new ATOM 0 HA ALA A 5 66.190 -3.244 7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 5 63.909 -3.440 6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 5 64.998 -4.658 6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 5 63.826 -5.132 7.521 1.00 0.00 H new ATOM 78 N LYS A 6 64.491 -4.528 10.400 1.00 0.00 N ATOM 79 CA LYS A 6 63.799 -4.163 11.668 1.00 0.00 C ATOM 80 C LYS A 6 64.835 -3.738 12.711 1.00 0.00 C ATOM 81 O LYS A 6 64.826 -2.622 13.188 1.00 0.00 O ATOM 82 CB LYS A 6 63.013 -5.369 12.188 1.00 0.00 C ATOM 83 CG LYS A 6 61.654 -4.901 12.714 1.00 0.00 C ATOM 84 CD LYS A 6 61.084 -5.948 13.673 1.00 0.00 C ATOM 85 CE LYS A 6 59.583 -5.715 13.851 1.00 0.00 C ATOM 86 NZ LYS A 6 58.848 -6.986 13.597 1.00 0.00 N ATOM 0 H LYS A 6 64.672 -5.524 10.275 1.00 0.00 H new ATOM 0 HA LYS A 6 63.112 -3.337 11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 6 62.875 -6.099 11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 6 63.571 -5.866 12.981 1.00 0.00 H new ATOM 0 HG2 LYS A 6 61.761 -3.945 13.226 1.00 0.00 H new ATOM 0 HG3 LYS A 6 60.967 -4.742 11.883 1.00 0.00 H new ATOM 0 HD2 LYS A 6 61.263 -6.950 13.283 1.00 0.00 H new ATOM 0 HD3 LYS A 6 61.589 -5.887 14.637 1.00 0.00 H new ATOM 0 HE2 LYS A 6 59.377 -5.359 14.860 1.00 0.00 H new ATOM 0 HE3 LYS A 6 59.241 -4.941 13.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 57.827 -6.827 13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 59.035 -7.307 12.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 59.167 -7.712 14.270 1.00 0.00 H new ATOM 100 N GLN A 7 65.728 -4.620 13.073 1.00 0.00 N ATOM 101 CA GLN A 7 66.757 -4.264 14.087 1.00 0.00 C ATOM 102 C GLN A 7 67.626 -3.124 13.556 1.00 0.00 C ATOM 103 O GLN A 7 67.853 -2.137 14.228 1.00 0.00 O ATOM 104 CB GLN A 7 67.638 -5.482 14.374 1.00 0.00 C ATOM 105 CG GLN A 7 66.857 -6.491 15.216 1.00 0.00 C ATOM 106 CD GLN A 7 67.830 -7.486 15.852 1.00 0.00 C ATOM 107 OE1 GLN A 7 68.063 -8.553 15.319 1.00 0.00 O ATOM 108 NE2 GLN A 7 68.412 -7.181 16.980 1.00 0.00 N ATOM 0 H GLN A 7 65.788 -5.571 12.709 1.00 0.00 H new ATOM 0 HA GLN A 7 66.263 -3.948 15.006 1.00 0.00 H new ATOM 0 HB2 GLN A 7 67.956 -5.942 13.439 1.00 0.00 H new ATOM 0 HB3 GLN A 7 68.541 -5.174 14.901 1.00 0.00 H new ATOM 0 HG2 GLN A 7 66.291 -5.974 15.991 1.00 0.00 H new ATOM 0 HG3 GLN A 7 66.135 -7.019 14.593 1.00 0.00 H new ATOM 0 HE21 GLN A 7 68.217 -6.286 17.429 1.00 0.00 H new ATOM 0 HE22 GLN A 7 69.061 -7.838 17.413 1.00 0.00 H new ATOM 117 N LYS A 8 68.118 -3.254 12.357 1.00 0.00 N ATOM 118 CA LYS A 8 68.978 -2.182 11.781 1.00 0.00 C ATOM 119 C LYS A 8 68.359 -0.815 12.081 1.00 0.00 C ATOM 120 O LYS A 8 68.893 -0.037 12.847 1.00 0.00 O ATOM 121 CB LYS A 8 69.087 -2.371 10.266 1.00 0.00 C ATOM 122 CG LYS A 8 70.537 -2.690 9.895 1.00 0.00 C ATOM 123 CD LYS A 8 71.283 -1.392 9.582 1.00 0.00 C ATOM 124 CE LYS A 8 72.361 -1.155 10.640 1.00 0.00 C ATOM 125 NZ LYS A 8 72.905 0.225 10.500 1.00 0.00 N ATOM 0 H LYS A 8 67.962 -4.058 11.749 1.00 0.00 H new ATOM 0 HA LYS A 8 69.972 -2.237 12.225 1.00 0.00 H new ATOM 0 HB2 LYS A 8 68.431 -3.179 9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.759 -1.468 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 8 71.026 -3.214 10.716 1.00 0.00 H new ATOM 0 HG3 LYS A 8 70.564 -3.355 9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 8 71.736 -1.450 8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 8 70.586 -0.555 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 8 71.942 -1.292 11.637 1.00 0.00 H new ATOM 0 HE3 LYS A 8 73.162 -1.886 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 73.638 0.384 11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 73.319 0.340 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 72.138 0.915 10.628 1.00 0.00 H new ATOM 139 N GLY A 9 67.236 -0.515 11.487 1.00 0.00 N ATOM 140 CA GLY A 9 66.589 0.803 11.742 1.00 0.00 C ATOM 141 C GLY A 9 66.211 1.455 10.410 1.00 0.00 C ATOM 142 O GLY A 9 66.509 2.607 10.167 1.00 0.00 O ATOM 0 H GLY A 9 66.739 -1.125 10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.700 0.670 12.359 1.00 0.00 H new ATOM 0 HA3 GLY A 9 67.267 1.451 12.296 1.00 0.00 H new ATOM 146 N CYS A 10 65.557 0.727 9.547 1.00 0.00 N ATOM 147 CA CYS A 10 65.162 1.306 8.233 1.00 0.00 C ATOM 148 C CYS A 10 63.658 1.591 8.231 1.00 0.00 C ATOM 149 O CYS A 10 63.213 2.629 7.779 1.00 0.00 O ATOM 150 CB CYS A 10 65.483 0.309 7.117 1.00 0.00 C ATOM 151 SG CYS A 10 67.206 -0.234 7.254 1.00 0.00 S ATOM 0 H CYS A 10 65.279 -0.243 9.695 1.00 0.00 H new ATOM 0 HA CYS A 10 65.712 2.232 8.068 1.00 0.00 H new ATOM 0 HB2 CYS A 10 64.815 -0.550 7.182 1.00 0.00 H new ATOM 0 HB3 CYS A 10 65.314 0.771 6.144 1.00 0.00 H new ATOM 156 N MET A 11 62.872 0.674 8.724 1.00 0.00 N ATOM 157 CA MET A 11 61.397 0.884 8.743 1.00 0.00 C ATOM 158 C MET A 11 61.057 2.133 9.560 1.00 0.00 C ATOM 159 O MET A 11 59.952 2.635 9.508 1.00 0.00 O ATOM 160 CB MET A 11 60.720 -0.337 9.368 1.00 0.00 C ATOM 161 CG MET A 11 60.723 -1.489 8.363 1.00 0.00 C ATOM 162 SD MET A 11 59.152 -2.380 8.465 1.00 0.00 S ATOM 163 CE MET A 11 58.683 -2.213 6.726 1.00 0.00 C ATOM 0 H MET A 11 63.188 -0.213 9.115 1.00 0.00 H new ATOM 0 HA MET A 11 61.040 1.019 7.722 1.00 0.00 H new ATOM 0 HB2 MET A 11 61.244 -0.632 10.277 1.00 0.00 H new ATOM 0 HB3 MET A 11 59.697 -0.093 9.655 1.00 0.00 H new ATOM 0 HG2 MET A 11 60.871 -1.105 7.354 1.00 0.00 H new ATOM 0 HG3 MET A 11 61.552 -2.166 8.571 1.00 0.00 H new ATOM 0 HE1 MET A 11 57.596 -2.192 6.643 1.00 0.00 H new ATOM 0 HE2 MET A 11 59.096 -1.287 6.325 1.00 0.00 H new ATOM 0 HE3 MET A 11 59.074 -3.059 6.161 1.00 0.00 H new ATOM 173 N ALA A 12 61.992 2.641 10.315 1.00 0.00 N ATOM 174 CA ALA A 12 61.707 3.857 11.128 1.00 0.00 C ATOM 175 C ALA A 12 61.059 4.916 10.235 1.00 0.00 C ATOM 176 O ALA A 12 60.186 5.649 10.654 1.00 0.00 O ATOM 177 CB ALA A 12 63.012 4.404 11.709 1.00 0.00 C ATOM 0 H ALA A 12 62.937 2.269 10.404 1.00 0.00 H new ATOM 0 HA ALA A 12 61.031 3.602 11.944 1.00 0.00 H new ATOM 0 HB1 ALA A 12 62.801 5.293 12.303 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.475 3.646 12.341 1.00 0.00 H new ATOM 0 HB3 ALA A 12 63.691 4.663 10.897 1.00 0.00 H new ATOM 183 N CYS A 13 61.478 4.991 9.005 1.00 0.00 N ATOM 184 CA CYS A 13 60.890 5.992 8.071 1.00 0.00 C ATOM 185 C CYS A 13 60.290 5.265 6.865 1.00 0.00 C ATOM 186 O CYS A 13 59.712 5.873 5.987 1.00 0.00 O ATOM 187 CB CYS A 13 61.981 6.950 7.591 1.00 0.00 C ATOM 188 SG CYS A 13 63.040 7.414 8.984 1.00 0.00 S ATOM 0 H CYS A 13 62.206 4.400 8.603 1.00 0.00 H new ATOM 0 HA CYS A 13 60.113 6.557 8.586 1.00 0.00 H new ATOM 0 HB2 CYS A 13 62.577 6.477 6.811 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.530 7.840 7.152 1.00 0.00 H new ATOM 193 N HIS A 14 60.429 3.967 6.813 1.00 0.00 N ATOM 194 CA HIS A 14 59.873 3.206 5.661 1.00 0.00 C ATOM 195 C HIS A 14 58.653 2.401 6.112 1.00 0.00 C ATOM 196 O HIS A 14 58.146 2.578 7.202 1.00 0.00 O ATOM 197 CB HIS A 14 60.941 2.252 5.123 1.00 0.00 C ATOM 198 CG HIS A 14 61.792 2.970 4.113 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.427 3.073 2.781 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.993 3.625 4.226 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.391 3.769 2.150 1.00 0.00 C ATOM 202 NE2 HIS A 14 63.370 4.129 2.985 1.00 0.00 N ATOM 0 H HIS A 14 60.903 3.403 7.518 1.00 0.00 H new ATOM 0 HA HIS A 14 59.574 3.903 4.878 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.561 1.885 5.941 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.470 1.383 4.665 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.582 2.691 2.356 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.559 3.733 5.139 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.375 4.007 1.097 1.00 0.00 H new ATOM 210 N ASP A 15 58.181 1.519 5.275 1.00 0.00 N ATOM 211 CA ASP A 15 56.994 0.696 5.640 1.00 0.00 C ATOM 212 C ASP A 15 56.400 0.083 4.371 1.00 0.00 C ATOM 213 O ASP A 15 56.267 0.742 3.360 1.00 0.00 O ATOM 214 CB ASP A 15 55.946 1.582 6.318 1.00 0.00 C ATOM 215 CG ASP A 15 55.972 1.337 7.828 1.00 0.00 C ATOM 216 OD1 ASP A 15 55.757 0.204 8.229 1.00 0.00 O ATOM 217 OD2 ASP A 15 56.207 2.286 8.557 1.00 0.00 O ATOM 0 H ASP A 15 58.568 1.332 4.350 1.00 0.00 H new ATOM 0 HA ASP A 15 57.294 -0.097 6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 15 56.149 2.632 6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 15 54.955 1.362 5.920 1.00 0.00 H new ATOM 222 N LEU A 16 56.050 -1.175 4.415 1.00 0.00 N ATOM 223 CA LEU A 16 55.470 -1.837 3.210 1.00 0.00 C ATOM 224 C LEU A 16 54.502 -0.885 2.511 1.00 0.00 C ATOM 225 O LEU A 16 54.760 -0.408 1.424 1.00 0.00 O ATOM 226 CB LEU A 16 54.713 -3.093 3.637 1.00 0.00 C ATOM 227 CG LEU A 16 55.694 -4.101 4.237 1.00 0.00 C ATOM 228 CD1 LEU A 16 54.965 -5.414 4.526 1.00 0.00 C ATOM 229 CD2 LEU A 16 56.832 -4.358 3.246 1.00 0.00 C ATOM 0 H LEU A 16 56.141 -1.774 5.235 1.00 0.00 H new ATOM 0 HA LEU A 16 56.276 -2.103 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 16 53.946 -2.837 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.203 -3.532 2.780 1.00 0.00 H new ATOM 0 HG LEU A 16 56.103 -3.701 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 16 55.665 -6.132 4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 16 54.155 -5.232 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.555 -5.815 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 16 57.531 -5.076 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 16 56.423 -4.758 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.353 -3.423 3.040 1.00 0.00 H new ATOM 241 N LYS A 17 53.386 -0.607 3.124 1.00 0.00 N ATOM 242 CA LYS A 17 52.404 0.312 2.490 1.00 0.00 C ATOM 243 C LYS A 17 52.007 1.404 3.484 1.00 0.00 C ATOM 244 O LYS A 17 50.845 1.721 3.639 1.00 0.00 O ATOM 245 CB LYS A 17 51.161 -0.477 2.076 1.00 0.00 C ATOM 246 CG LYS A 17 50.609 -1.233 3.286 1.00 0.00 C ATOM 247 CD LYS A 17 50.520 -2.725 2.959 1.00 0.00 C ATOM 248 CE LYS A 17 49.166 -3.026 2.313 1.00 0.00 C ATOM 249 NZ LYS A 17 49.304 -4.188 1.390 1.00 0.00 N ATOM 0 H LYS A 17 53.113 -0.976 4.035 1.00 0.00 H new ATOM 0 HA LYS A 17 52.854 0.771 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 17 50.403 0.199 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 17 51.411 -1.178 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 17 51.254 -1.077 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 17 49.624 -0.848 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 17 51.328 -3.009 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 17 50.641 -3.315 3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 17 48.425 -3.244 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 17 48.810 -2.153 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 48.384 -4.393 0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 49.999 -3.963 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 49.625 -5.020 1.925 1.00 0.00 H new ATOM 263 N ALA A 18 52.962 1.982 4.162 1.00 0.00 N ATOM 264 CA ALA A 18 52.630 3.050 5.148 1.00 0.00 C ATOM 265 C ALA A 18 53.455 4.305 4.853 1.00 0.00 C ATOM 266 O ALA A 18 54.526 4.494 5.394 1.00 0.00 O ATOM 267 CB ALA A 18 52.949 2.556 6.561 1.00 0.00 C ATOM 0 H ALA A 18 53.954 1.762 4.076 1.00 0.00 H new ATOM 0 HA ALA A 18 51.569 3.290 5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.707 3.336 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 18 52.359 1.666 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 18 54.009 2.314 6.631 1.00 0.00 H new ATOM 273 N LYS A 19 52.963 5.167 4.005 1.00 0.00 N ATOM 274 CA LYS A 19 53.722 6.411 3.687 1.00 0.00 C ATOM 275 C LYS A 19 54.189 7.058 4.994 1.00 0.00 C ATOM 276 O LYS A 19 53.433 7.197 5.933 1.00 0.00 O ATOM 277 CB LYS A 19 52.815 7.385 2.928 1.00 0.00 C ATOM 278 CG LYS A 19 53.170 7.357 1.438 1.00 0.00 C ATOM 279 CD LYS A 19 52.291 8.357 0.682 1.00 0.00 C ATOM 280 CE LYS A 19 50.818 8.085 0.995 1.00 0.00 C ATOM 281 NZ LYS A 19 50.553 6.622 0.903 1.00 0.00 N ATOM 0 H LYS A 19 52.072 5.065 3.520 1.00 0.00 H new ATOM 0 HA LYS A 19 54.585 6.168 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 19 51.770 7.110 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 19 52.936 8.394 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 19 54.222 7.605 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 19 53.024 6.354 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 19 52.552 9.376 0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 19 52.467 8.273 -0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 19 50.574 8.447 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 19 50.181 8.626 0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 49.544 6.464 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 51.122 6.214 0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 50.808 6.166 1.802 1.00 0.00 H new ATOM 295 N LYS A 20 55.433 7.446 5.063 1.00 0.00 N ATOM 296 CA LYS A 20 55.950 8.074 6.313 1.00 0.00 C ATOM 297 C LYS A 20 57.094 9.032 5.961 1.00 0.00 C ATOM 298 O LYS A 20 57.236 9.444 4.827 1.00 0.00 O ATOM 299 CB LYS A 20 56.464 6.974 7.246 1.00 0.00 C ATOM 300 CG LYS A 20 55.495 6.800 8.418 1.00 0.00 C ATOM 301 CD LYS A 20 55.693 5.416 9.040 1.00 0.00 C ATOM 302 CE LYS A 20 54.330 4.765 9.286 1.00 0.00 C ATOM 303 NZ LYS A 20 54.245 4.311 10.703 1.00 0.00 N ATOM 0 H LYS A 20 56.114 7.356 4.309 1.00 0.00 H new ATOM 0 HA LYS A 20 55.155 8.631 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 20 56.562 6.036 6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 20 57.456 7.232 7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 20 55.668 7.575 9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 20 54.467 6.913 8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 20 56.292 4.791 8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 20 56.241 5.503 9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 20 53.532 5.476 9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 20 54.192 3.919 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 53.319 3.868 10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 54.998 3.619 10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 54.358 5.128 11.337 1.00 0.00 H new ATOM 317 N VAL A 21 57.911 9.386 6.921 1.00 0.00 N ATOM 318 CA VAL A 21 59.045 10.311 6.630 1.00 0.00 C ATOM 319 C VAL A 21 59.698 9.886 5.316 1.00 0.00 C ATOM 320 O VAL A 21 60.230 10.691 4.579 1.00 0.00 O ATOM 321 CB VAL A 21 60.073 10.232 7.759 1.00 0.00 C ATOM 322 CG1 VAL A 21 61.245 11.166 7.453 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.418 10.656 9.076 1.00 0.00 C ATOM 0 H VAL A 21 57.841 9.075 7.890 1.00 0.00 H new ATOM 0 HA VAL A 21 58.679 11.335 6.551 1.00 0.00 H new ATOM 0 HB VAL A 21 60.437 9.208 7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.976 11.108 8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.714 10.867 6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.881 12.190 7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 21 60.150 10.600 9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 21 59.053 11.679 8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.583 9.991 9.298 1.00 0.00 H new ATOM 333 N GLY A 22 59.645 8.618 5.018 1.00 0.00 N ATOM 334 CA GLY A 22 60.240 8.115 3.750 1.00 0.00 C ATOM 335 C GLY A 22 59.144 7.444 2.918 1.00 0.00 C ATOM 336 O GLY A 22 58.031 7.288 3.380 1.00 0.00 O ATOM 0 H GLY A 22 59.212 7.904 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 22 60.687 8.937 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 22 61.038 7.405 3.964 1.00 0.00 H new ATOM 340 N PRO A 23 59.489 7.068 1.716 1.00 0.00 N ATOM 341 CA PRO A 23 58.550 6.409 0.792 1.00 0.00 C ATOM 342 C PRO A 23 58.373 4.935 1.171 1.00 0.00 C ATOM 343 O PRO A 23 59.330 4.193 1.276 1.00 0.00 O ATOM 344 CB PRO A 23 59.235 6.544 -0.570 1.00 0.00 C ATOM 345 CG PRO A 23 60.740 6.749 -0.283 1.00 0.00 C ATOM 346 CD PRO A 23 60.846 7.262 1.166 1.00 0.00 C ATOM 0 HA PRO A 23 57.552 6.848 0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 23 59.073 5.653 -1.176 1.00 0.00 H new ATOM 0 HB3 PRO A 23 58.828 7.387 -1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.288 5.815 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 23 61.173 7.466 -0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 23 61.590 6.703 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 23 61.143 8.310 1.197 1.00 0.00 H new ATOM 354 N ALA A 24 57.158 4.507 1.377 1.00 0.00 N ATOM 355 CA ALA A 24 56.922 3.083 1.751 1.00 0.00 C ATOM 356 C ALA A 24 57.768 2.174 0.855 1.00 0.00 C ATOM 357 O ALA A 24 57.972 2.452 -0.310 1.00 0.00 O ATOM 358 CB ALA A 24 55.441 2.745 1.563 1.00 0.00 C ATOM 0 H ALA A 24 56.318 5.081 1.303 1.00 0.00 H new ATOM 0 HA ALA A 24 57.201 2.930 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.268 1.704 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 24 54.837 3.392 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 24 55.163 2.898 0.520 1.00 0.00 H new ATOM 364 N TYR A 25 58.259 1.089 1.390 1.00 0.00 N ATOM 365 CA TYR A 25 59.086 0.165 0.571 1.00 0.00 C ATOM 366 C TYR A 25 58.272 -0.313 -0.632 1.00 0.00 C ATOM 367 O TYR A 25 58.684 -0.180 -1.764 1.00 0.00 O ATOM 368 CB TYR A 25 59.486 -1.039 1.425 1.00 0.00 C ATOM 369 CG TYR A 25 60.690 -0.686 2.267 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.825 -0.128 1.666 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.672 -0.919 3.648 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.940 0.197 2.445 1.00 0.00 C ATOM 373 CE2 TYR A 25 61.787 -0.593 4.428 1.00 0.00 C ATOM 374 CZ TYR A 25 62.922 -0.036 3.826 1.00 0.00 C ATOM 375 OH TYR A 25 64.022 0.284 4.595 1.00 0.00 O ATOM 0 H TYR A 25 58.122 0.805 2.360 1.00 0.00 H new ATOM 0 HA TYR A 25 59.980 0.682 0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.656 -1.335 2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.714 -1.892 0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 25 61.839 0.051 0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 25 59.797 -1.351 4.111 1.00 0.00 H new ATOM 0 HE1 TYR A 25 63.815 0.628 1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 25 61.772 -0.771 5.493 1.00 0.00 H new ATOM 0 HH TYR A 25 64.493 1.043 4.193 1.00 0.00 H new ATOM 385 N ALA A 26 57.116 -0.869 -0.393 1.00 0.00 N ATOM 386 CA ALA A 26 56.275 -1.358 -1.522 1.00 0.00 C ATOM 387 C ALA A 26 56.249 -0.313 -2.642 1.00 0.00 C ATOM 388 O ALA A 26 56.094 -0.639 -3.802 1.00 0.00 O ATOM 389 CB ALA A 26 54.850 -1.605 -1.021 1.00 0.00 C ATOM 0 H ALA A 26 56.717 -1.006 0.536 1.00 0.00 H new ATOM 0 HA ALA A 26 56.695 -2.287 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.232 -1.963 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.868 -2.353 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.434 -0.675 -0.633 1.00 0.00 H new ATOM 395 N ASP A 27 56.393 0.940 -2.306 1.00 0.00 N ATOM 396 CA ASP A 27 56.371 1.999 -3.354 1.00 0.00 C ATOM 397 C ASP A 27 57.715 2.036 -4.087 1.00 0.00 C ATOM 398 O ASP A 27 57.769 2.043 -5.301 1.00 0.00 O ATOM 399 CB ASP A 27 56.115 3.356 -2.698 1.00 0.00 C ATOM 400 CG ASP A 27 54.610 3.621 -2.643 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.867 2.828 -3.197 1.00 0.00 O ATOM 402 OD2 ASP A 27 54.225 4.614 -2.047 1.00 0.00 O ATOM 0 H ASP A 27 56.525 1.276 -1.352 1.00 0.00 H new ATOM 0 HA ASP A 27 55.578 1.779 -4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.534 3.370 -1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.613 4.144 -3.262 1.00 0.00 H new ATOM 407 N VAL A 28 58.798 2.065 -3.362 1.00 0.00 N ATOM 408 CA VAL A 28 60.133 2.107 -4.019 1.00 0.00 C ATOM 409 C VAL A 28 60.261 0.925 -4.981 1.00 0.00 C ATOM 410 O VAL A 28 60.664 1.075 -6.117 1.00 0.00 O ATOM 411 CB VAL A 28 61.227 2.024 -2.953 1.00 0.00 C ATOM 412 CG1 VAL A 28 62.595 1.900 -3.627 1.00 0.00 C ATOM 413 CG2 VAL A 28 61.195 3.293 -2.096 1.00 0.00 C ATOM 0 H VAL A 28 58.816 2.061 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 28 60.240 3.039 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 28 61.055 1.151 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 28 63.372 1.841 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.618 0.999 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.770 2.772 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.973 3.238 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 28 61.367 4.164 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 28 60.222 3.382 -1.614 1.00 0.00 H new ATOM 423 N ALA A 29 59.914 -0.249 -4.536 1.00 0.00 N ATOM 424 CA ALA A 29 60.007 -1.438 -5.422 1.00 0.00 C ATOM 425 C ALA A 29 59.002 -1.291 -6.565 1.00 0.00 C ATOM 426 O ALA A 29 59.230 -1.750 -7.667 1.00 0.00 O ATOM 427 CB ALA A 29 59.689 -2.701 -4.619 1.00 0.00 C ATOM 0 H ALA A 29 59.569 -0.436 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 29 61.016 -1.515 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 29 59.757 -3.573 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 29 60.403 -2.802 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 29 58.680 -2.630 -4.213 1.00 0.00 H new ATOM 433 N LYS A 30 57.892 -0.651 -6.314 1.00 0.00 N ATOM 434 CA LYS A 30 56.877 -0.472 -7.389 1.00 0.00 C ATOM 435 C LYS A 30 57.464 0.395 -8.505 1.00 0.00 C ATOM 436 O LYS A 30 57.183 0.198 -9.669 1.00 0.00 O ATOM 437 CB LYS A 30 55.637 0.215 -6.813 1.00 0.00 C ATOM 438 CG LYS A 30 54.435 -0.727 -6.911 1.00 0.00 C ATOM 439 CD LYS A 30 53.621 -0.392 -8.163 1.00 0.00 C ATOM 440 CE LYS A 30 53.786 -1.509 -9.194 1.00 0.00 C ATOM 441 NZ LYS A 30 52.577 -1.566 -10.063 1.00 0.00 N ATOM 0 H LYS A 30 57.645 -0.245 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 30 56.600 -1.447 -7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.812 0.491 -5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.434 1.137 -7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 30 54.774 -1.762 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 30 53.811 -0.630 -6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 30 52.569 -0.274 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 30 53.954 0.557 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 30 54.674 -1.331 -9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 30 53.930 -2.465 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 52.689 -2.326 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 51.738 -1.755 -9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 52.459 -0.657 -10.554 1.00 0.00 H new ATOM 455 N LYS A 31 58.276 1.357 -8.156 1.00 0.00 N ATOM 456 CA LYS A 31 58.876 2.238 -9.195 1.00 0.00 C ATOM 457 C LYS A 31 59.743 1.404 -10.140 1.00 0.00 C ATOM 458 O LYS A 31 59.870 1.706 -11.311 1.00 0.00 O ATOM 459 CB LYS A 31 59.741 3.304 -8.521 1.00 0.00 C ATOM 460 CG LYS A 31 58.949 4.607 -8.405 1.00 0.00 C ATOM 461 CD LYS A 31 59.867 5.794 -8.707 1.00 0.00 C ATOM 462 CE LYS A 31 59.219 7.084 -8.199 1.00 0.00 C ATOM 463 NZ LYS A 31 57.932 7.310 -8.915 1.00 0.00 N ATOM 0 H LYS A 31 58.549 1.569 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 31 58.080 2.718 -9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 31 60.050 2.965 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 31 60.650 3.469 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 31 58.110 4.597 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 31 58.532 4.703 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 31 60.836 5.649 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 31 60.048 5.864 -9.780 1.00 0.00 H new ATOM 0 HE2 LYS A 31 59.043 7.017 -7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 31 59.890 7.928 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 57.611 8.286 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 58.070 7.157 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 57.215 6.646 -8.559 1.00 0.00 H new ATOM 477 N TYR A 32 60.344 0.360 -9.642 1.00 0.00 N ATOM 478 CA TYR A 32 61.207 -0.488 -10.510 1.00 0.00 C ATOM 479 C TYR A 32 60.399 -1.694 -11.014 1.00 0.00 C ATOM 480 O TYR A 32 59.444 -1.537 -11.748 1.00 0.00 O ATOM 481 CB TYR A 32 62.419 -0.955 -9.702 1.00 0.00 C ATOM 482 CG TYR A 32 63.126 0.247 -9.120 1.00 0.00 C ATOM 483 CD1 TYR A 32 63.168 1.450 -9.835 1.00 0.00 C ATOM 484 CD2 TYR A 32 63.737 0.158 -7.863 1.00 0.00 C ATOM 485 CE1 TYR A 32 63.823 2.563 -9.294 1.00 0.00 C ATOM 486 CE2 TYR A 32 64.392 1.271 -7.323 1.00 0.00 C ATOM 487 CZ TYR A 32 64.434 2.474 -8.038 1.00 0.00 C ATOM 488 OH TYR A 32 65.080 3.571 -7.504 1.00 0.00 O ATOM 0 H TYR A 32 60.275 0.057 -8.670 1.00 0.00 H new ATOM 0 HA TYR A 32 61.551 0.085 -11.371 1.00 0.00 H new ATOM 0 HB2 TYR A 32 62.101 -1.626 -8.904 1.00 0.00 H new ATOM 0 HB3 TYR A 32 63.100 -1.518 -10.340 1.00 0.00 H new ATOM 0 HD1 TYR A 32 62.695 1.519 -10.804 1.00 0.00 H new ATOM 0 HD2 TYR A 32 63.703 -0.769 -7.310 1.00 0.00 H new ATOM 0 HE1 TYR A 32 63.857 3.491 -9.846 1.00 0.00 H new ATOM 0 HE2 TYR A 32 64.865 1.202 -6.355 1.00 0.00 H new ATOM 0 HH TYR A 32 65.448 3.339 -6.626 1.00 0.00 H new ATOM 498 N ALA A 33 60.766 -2.894 -10.638 1.00 0.00 N ATOM 499 CA ALA A 33 60.008 -4.084 -11.112 1.00 0.00 C ATOM 500 C ALA A 33 60.388 -4.382 -12.559 1.00 0.00 C ATOM 501 O ALA A 33 60.013 -3.672 -13.470 1.00 0.00 O ATOM 502 CB ALA A 33 58.507 -3.810 -11.022 1.00 0.00 C ATOM 0 H ALA A 33 61.556 -3.097 -10.025 1.00 0.00 H new ATOM 0 HA ALA A 33 60.253 -4.942 -10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 33 57.956 -4.684 -11.370 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.237 -3.599 -9.987 1.00 0.00 H new ATOM 0 HB3 ALA A 33 58.256 -2.951 -11.645 1.00 0.00 H new ATOM 508 N GLY A 34 61.140 -5.420 -12.772 1.00 0.00 N ATOM 509 CA GLY A 34 61.561 -5.764 -14.156 1.00 0.00 C ATOM 510 C GLY A 34 62.965 -5.216 -14.391 1.00 0.00 C ATOM 511 O GLY A 34 63.637 -5.575 -15.338 1.00 0.00 O ATOM 0 H GLY A 34 61.483 -6.048 -12.046 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.549 -6.845 -14.297 1.00 0.00 H new ATOM 0 HA3 GLY A 34 60.864 -5.340 -14.879 1.00 0.00 H new ATOM 515 N ARG A 35 63.418 -4.348 -13.526 1.00 0.00 N ATOM 516 CA ARG A 35 64.783 -3.777 -13.691 1.00 0.00 C ATOM 517 C ARG A 35 65.821 -4.822 -13.277 1.00 0.00 C ATOM 518 O ARG A 35 65.916 -5.193 -12.124 1.00 0.00 O ATOM 519 CB ARG A 35 64.927 -2.535 -12.810 1.00 0.00 C ATOM 520 CG ARG A 35 65.267 -1.327 -13.685 1.00 0.00 C ATOM 521 CD ARG A 35 66.260 -0.429 -12.948 1.00 0.00 C ATOM 522 NE ARG A 35 67.475 -0.235 -13.788 1.00 0.00 N ATOM 523 CZ ARG A 35 68.509 0.400 -13.306 1.00 0.00 C ATOM 524 NH1 ARG A 35 68.482 0.870 -12.087 1.00 0.00 N ATOM 525 NH2 ARG A 35 69.573 0.569 -14.044 1.00 0.00 N ATOM 0 H ARG A 35 62.901 -4.011 -12.714 1.00 0.00 H new ATOM 0 HA ARG A 35 64.940 -3.500 -14.733 1.00 0.00 H new ATOM 0 HB2 ARG A 35 64.001 -2.353 -12.264 1.00 0.00 H new ATOM 0 HB3 ARG A 35 65.709 -2.691 -12.067 1.00 0.00 H new ATOM 0 HG2 ARG A 35 65.693 -1.659 -14.632 1.00 0.00 H new ATOM 0 HG3 ARG A 35 64.361 -0.769 -13.921 1.00 0.00 H new ATOM 0 HD2 ARG A 35 65.800 0.534 -12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 35 66.533 -0.878 -11.993 1.00 0.00 H new ATOM 0 HE ARG A 35 67.499 -0.599 -14.741 1.00 0.00 H new ATOM 0 HH11 ARG A 35 67.651 0.741 -11.509 1.00 0.00 H new ATOM 0 HH12 ARG A 35 69.291 1.366 -11.713 1.00 0.00 H new ATOM 0 HH21 ARG A 35 69.596 0.205 -14.997 1.00 0.00 H new ATOM 0 HH22 ARG A 35 70.381 1.065 -13.668 1.00 0.00 H new ATOM 539 N LYS A 36 66.593 -5.306 -14.211 1.00 0.00 N ATOM 540 CA LYS A 36 67.619 -6.334 -13.875 1.00 0.00 C ATOM 541 C LYS A 36 68.720 -5.709 -13.014 1.00 0.00 C ATOM 542 O LYS A 36 69.597 -6.392 -12.524 1.00 0.00 O ATOM 543 CB LYS A 36 68.234 -6.878 -15.167 1.00 0.00 C ATOM 544 CG LYS A 36 67.199 -7.730 -15.906 1.00 0.00 C ATOM 545 CD LYS A 36 67.688 -8.002 -17.331 1.00 0.00 C ATOM 546 CE LYS A 36 67.734 -9.512 -17.575 1.00 0.00 C ATOM 547 NZ LYS A 36 68.451 -10.178 -16.450 1.00 0.00 N ATOM 0 H LYS A 36 66.558 -5.034 -15.193 1.00 0.00 H new ATOM 0 HA LYS A 36 67.146 -7.145 -13.321 1.00 0.00 H new ATOM 0 HB2 LYS A 36 68.562 -6.054 -15.801 1.00 0.00 H new ATOM 0 HB3 LYS A 36 69.116 -7.476 -14.939 1.00 0.00 H new ATOM 0 HG2 LYS A 36 67.042 -8.671 -15.378 1.00 0.00 H new ATOM 0 HG3 LYS A 36 66.239 -7.215 -15.931 1.00 0.00 H new ATOM 0 HD2 LYS A 36 67.023 -7.526 -18.052 1.00 0.00 H new ATOM 0 HD3 LYS A 36 68.678 -7.569 -17.476 1.00 0.00 H new ATOM 0 HE2 LYS A 36 66.722 -9.908 -17.660 1.00 0.00 H new ATOM 0 HE3 LYS A 36 68.239 -9.723 -18.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 68.952 -11.017 -16.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 69.137 -9.515 -16.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 67.765 -10.467 -15.724 1.00 0.00 H new ATOM 561 N ASP A 37 68.687 -4.418 -12.828 1.00 0.00 N ATOM 562 CA ASP A 37 69.738 -3.760 -12.001 1.00 0.00 C ATOM 563 C ASP A 37 69.082 -2.997 -10.850 1.00 0.00 C ATOM 564 O ASP A 37 69.554 -1.958 -10.433 1.00 0.00 O ATOM 565 CB ASP A 37 70.534 -2.786 -12.871 1.00 0.00 C ATOM 566 CG ASP A 37 72.023 -3.130 -12.795 1.00 0.00 C ATOM 567 OD1 ASP A 37 72.333 -4.249 -12.421 1.00 0.00 O ATOM 568 OD2 ASP A 37 72.827 -2.270 -13.114 1.00 0.00 O ATOM 0 H ASP A 37 67.980 -3.791 -13.212 1.00 0.00 H new ATOM 0 HA ASP A 37 70.408 -4.518 -11.596 1.00 0.00 H new ATOM 0 HB2 ASP A 37 70.190 -2.840 -13.904 1.00 0.00 H new ATOM 0 HB3 ASP A 37 70.369 -1.763 -12.534 1.00 0.00 H new ATOM 573 N ALA A 38 67.997 -3.502 -10.330 1.00 0.00 N ATOM 574 CA ALA A 38 67.316 -2.802 -9.206 1.00 0.00 C ATOM 575 C ALA A 38 67.991 -3.179 -7.885 1.00 0.00 C ATOM 576 O ALA A 38 67.943 -2.441 -6.921 1.00 0.00 O ATOM 577 CB ALA A 38 65.844 -3.215 -9.164 1.00 0.00 C ATOM 0 H ALA A 38 67.553 -4.368 -10.635 1.00 0.00 H new ATOM 0 HA ALA A 38 67.386 -1.724 -9.354 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.346 -2.703 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 38 65.363 -2.945 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.773 -4.293 -9.017 1.00 0.00 H new ATOM 583 N VAL A 39 68.621 -4.321 -7.833 1.00 0.00 N ATOM 584 CA VAL A 39 69.298 -4.742 -6.574 1.00 0.00 C ATOM 585 C VAL A 39 70.581 -3.931 -6.394 1.00 0.00 C ATOM 586 O VAL A 39 70.871 -3.438 -5.321 1.00 0.00 O ATOM 587 CB VAL A 39 69.640 -6.232 -6.655 1.00 0.00 C ATOM 588 CG1 VAL A 39 70.537 -6.617 -5.477 1.00 0.00 C ATOM 589 CG2 VAL A 39 68.350 -7.053 -6.603 1.00 0.00 C ATOM 0 H VAL A 39 68.696 -4.980 -8.608 1.00 0.00 H new ATOM 0 HA VAL A 39 68.636 -4.568 -5.726 1.00 0.00 H new ATOM 0 HB VAL A 39 70.164 -6.434 -7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.780 -7.678 -5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 39 71.456 -6.032 -5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 39 70.015 -6.416 -4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 39 68.592 -8.114 -6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 39 67.827 -6.850 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 39 67.711 -6.780 -7.443 1.00 0.00 H new ATOM 599 N ASP A 40 71.354 -3.788 -7.435 1.00 0.00 N ATOM 600 CA ASP A 40 72.618 -3.009 -7.324 1.00 0.00 C ATOM 601 C ASP A 40 72.294 -1.514 -7.259 1.00 0.00 C ATOM 602 O ASP A 40 72.752 -0.809 -6.382 1.00 0.00 O ATOM 603 CB ASP A 40 73.495 -3.288 -8.548 1.00 0.00 C ATOM 604 CG ASP A 40 73.998 -4.733 -8.495 1.00 0.00 C ATOM 605 OD1 ASP A 40 74.049 -5.283 -7.407 1.00 0.00 O ATOM 606 OD2 ASP A 40 74.325 -5.264 -9.544 1.00 0.00 O ATOM 0 H ASP A 40 71.164 -4.178 -8.358 1.00 0.00 H new ATOM 0 HA ASP A 40 73.149 -3.304 -6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 40 72.925 -3.123 -9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.339 -2.598 -8.569 1.00 0.00 H new ATOM 611 N TYR A 41 71.507 -1.026 -8.178 1.00 0.00 N ATOM 612 CA TYR A 41 71.156 0.422 -8.165 1.00 0.00 C ATOM 613 C TYR A 41 70.659 0.812 -6.772 1.00 0.00 C ATOM 614 O TYR A 41 71.149 1.744 -6.165 1.00 0.00 O ATOM 615 CB TYR A 41 70.053 0.690 -9.192 1.00 0.00 C ATOM 616 CG TYR A 41 69.861 2.180 -9.347 1.00 0.00 C ATOM 617 CD1 TYR A 41 70.900 2.971 -9.852 1.00 0.00 C ATOM 618 CD2 TYR A 41 68.644 2.770 -8.986 1.00 0.00 C ATOM 619 CE1 TYR A 41 70.722 4.352 -9.995 1.00 0.00 C ATOM 620 CE2 TYR A 41 68.466 4.152 -9.130 1.00 0.00 C ATOM 621 CZ TYR A 41 69.505 4.943 -9.634 1.00 0.00 C ATOM 622 OH TYR A 41 69.331 6.305 -9.775 1.00 0.00 O ATOM 0 H TYR A 41 71.092 -1.567 -8.937 1.00 0.00 H new ATOM 0 HA TYR A 41 72.038 1.012 -8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 41 70.318 0.245 -10.151 1.00 0.00 H new ATOM 0 HB3 TYR A 41 69.121 0.224 -8.871 1.00 0.00 H new ATOM 0 HD1 TYR A 41 71.839 2.516 -10.131 1.00 0.00 H new ATOM 0 HD2 TYR A 41 67.842 2.160 -8.597 1.00 0.00 H new ATOM 0 HE1 TYR A 41 71.524 4.962 -10.384 1.00 0.00 H new ATOM 0 HE2 TYR A 41 67.527 4.607 -8.852 1.00 0.00 H new ATOM 0 HH TYR A 41 68.430 6.552 -9.480 1.00 0.00 H new ATOM 632 N LEU A 42 69.689 0.106 -6.259 1.00 0.00 N ATOM 633 CA LEU A 42 69.161 0.435 -4.906 1.00 0.00 C ATOM 634 C LEU A 42 70.301 0.400 -3.889 1.00 0.00 C ATOM 635 O LEU A 42 70.539 1.350 -3.173 1.00 0.00 O ATOM 636 CB LEU A 42 68.094 -0.589 -4.512 1.00 0.00 C ATOM 637 CG LEU A 42 66.723 -0.110 -4.992 1.00 0.00 C ATOM 638 CD1 LEU A 42 65.785 -1.309 -5.154 1.00 0.00 C ATOM 639 CD2 LEU A 42 66.133 0.857 -3.963 1.00 0.00 C ATOM 0 H LEU A 42 69.239 -0.685 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 42 68.720 1.432 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.326 -1.559 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.086 -0.723 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 42 66.834 0.396 -5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.809 -0.964 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.202 -2.001 -5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.675 -1.817 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 42 65.156 1.199 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 42 66.025 0.348 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.797 1.714 -3.846 1.00 0.00 H new ATOM 651 N ALA A 43 71.002 -0.695 -3.820 1.00 0.00 N ATOM 652 CA ALA A 43 72.127 -0.808 -2.849 1.00 0.00 C ATOM 653 C ALA A 43 73.006 0.443 -2.918 1.00 0.00 C ATOM 654 O ALA A 43 73.578 0.865 -1.932 1.00 0.00 O ATOM 655 CB ALA A 43 72.970 -2.039 -3.190 1.00 0.00 C ATOM 0 H ALA A 43 70.845 -1.522 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 43 71.721 -0.905 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.794 -2.124 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.349 -2.933 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 43 73.369 -1.938 -4.199 1.00 0.00 H new ATOM 661 N GLY A 44 73.124 1.041 -4.072 1.00 0.00 N ATOM 662 CA GLY A 44 73.972 2.261 -4.193 1.00 0.00 C ATOM 663 C GLY A 44 73.304 3.424 -3.461 1.00 0.00 C ATOM 664 O GLY A 44 73.874 4.015 -2.566 1.00 0.00 O ATOM 0 H GLY A 44 72.671 0.739 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 44 74.960 2.073 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 44 74.116 2.514 -5.244 1.00 0.00 H new ATOM 668 N LYS A 45 72.097 3.757 -3.831 1.00 0.00 N ATOM 669 CA LYS A 45 71.394 4.882 -3.152 1.00 0.00 C ATOM 670 C LYS A 45 71.035 4.475 -1.719 1.00 0.00 C ATOM 671 O LYS A 45 70.540 5.269 -0.945 1.00 0.00 O ATOM 672 CB LYS A 45 70.117 5.227 -3.922 1.00 0.00 C ATOM 673 CG LYS A 45 69.976 6.747 -4.021 1.00 0.00 C ATOM 674 CD LYS A 45 69.601 7.136 -5.453 1.00 0.00 C ATOM 675 CE LYS A 45 70.810 7.766 -6.146 1.00 0.00 C ATOM 676 NZ LYS A 45 71.118 9.081 -5.515 1.00 0.00 N ATOM 0 H LYS A 45 71.568 3.299 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 45 72.048 5.753 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 45 70.151 4.789 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.249 4.803 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 45 69.212 7.097 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.911 7.228 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 45 69.270 6.256 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 45 68.768 7.838 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.672 7.103 -6.069 1.00 0.00 H new ATOM 0 HE3 LYS A 45 70.604 7.900 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 71.525 9.721 -6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 70.244 9.497 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 71.800 8.944 -4.742 1.00 0.00 H new ATOM 690 N ILE A 46 71.286 3.245 -1.360 1.00 0.00 N ATOM 691 CA ILE A 46 70.968 2.790 0.022 1.00 0.00 C ATOM 692 C ILE A 46 72.193 2.999 0.912 1.00 0.00 C ATOM 693 O ILE A 46 72.080 3.271 2.092 1.00 0.00 O ATOM 694 CB ILE A 46 70.608 1.303 -0.002 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.228 1.119 -0.637 1.00 0.00 C ATOM 696 CG2 ILE A 46 70.585 0.757 1.426 1.00 0.00 C ATOM 697 CD1 ILE A 46 68.967 -0.371 -0.865 1.00 0.00 C ATOM 0 H ILE A 46 71.698 2.535 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 46 70.126 3.362 0.412 1.00 0.00 H new ATOM 0 HB ILE A 46 71.353 0.763 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.459 1.539 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.176 1.657 -1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.328 -0.302 1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 46 71.568 0.884 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 46 69.842 1.300 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 46 67.984 -0.503 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 46 69.730 -0.776 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.001 -0.897 0.089 1.00 0.00 H new ATOM 709 N LYS A 47 73.365 2.870 0.353 1.00 0.00 N ATOM 710 CA LYS A 47 74.602 3.057 1.159 1.00 0.00 C ATOM 711 C LYS A 47 75.043 4.523 1.090 1.00 0.00 C ATOM 712 O LYS A 47 75.814 4.989 1.904 1.00 0.00 O ATOM 713 CB LYS A 47 75.708 2.146 0.603 1.00 0.00 C ATOM 714 CG LYS A 47 76.382 2.803 -0.606 1.00 0.00 C ATOM 715 CD LYS A 47 77.406 1.837 -1.205 1.00 0.00 C ATOM 716 CE LYS A 47 78.733 2.569 -1.418 1.00 0.00 C ATOM 717 NZ LYS A 47 79.853 1.728 -0.908 1.00 0.00 N ATOM 0 H LYS A 47 73.518 2.643 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 47 74.409 2.796 2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 47 76.449 1.948 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 47 75.285 1.184 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 47 75.634 3.067 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.872 3.729 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 47 77.551 0.985 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 47 77.039 1.443 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.877 2.782 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.719 3.528 -0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.755 2.226 -1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 79.717 1.547 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.870 0.824 -1.422 1.00 0.00 H new ATOM 731 N LYS A 48 74.563 5.250 0.118 1.00 0.00 N ATOM 732 CA LYS A 48 74.960 6.681 -0.007 1.00 0.00 C ATOM 733 C LYS A 48 73.779 7.579 0.369 1.00 0.00 C ATOM 734 O LYS A 48 73.931 8.770 0.556 1.00 0.00 O ATOM 735 CB LYS A 48 75.373 6.965 -1.452 1.00 0.00 C ATOM 736 CG LYS A 48 76.443 8.058 -1.472 1.00 0.00 C ATOM 737 CD LYS A 48 77.382 7.830 -2.658 1.00 0.00 C ATOM 738 CE LYS A 48 77.065 8.841 -3.761 1.00 0.00 C ATOM 739 NZ LYS A 48 77.004 8.141 -5.075 1.00 0.00 N ATOM 0 H LYS A 48 73.914 4.915 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 48 75.796 6.885 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 48 75.757 6.057 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.506 7.279 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 48 75.975 9.039 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 48 77.008 8.046 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 48 78.419 7.936 -2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 48 77.267 6.814 -3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 48 76.115 9.334 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 48 77.828 9.619 -3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 76.788 8.829 -5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 77.921 7.691 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 76.260 7.415 -5.047 1.00 0.00 H new ATOM 753 N GLY A 49 72.605 7.023 0.480 1.00 0.00 N ATOM 754 CA GLY A 49 71.422 7.854 0.842 1.00 0.00 C ATOM 755 C GLY A 49 71.192 8.907 -0.243 1.00 0.00 C ATOM 756 O GLY A 49 71.185 8.607 -1.421 1.00 0.00 O ATOM 0 H GLY A 49 72.413 6.032 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.539 7.224 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 49 71.584 8.337 1.805 1.00 0.00 H new ATOM 760 N GLY A 50 71.003 10.141 0.141 1.00 0.00 N ATOM 761 CA GLY A 50 70.775 11.210 -0.871 1.00 0.00 C ATOM 762 C GLY A 50 69.286 11.555 -0.926 1.00 0.00 C ATOM 763 O GLY A 50 68.525 11.199 -0.049 1.00 0.00 O ATOM 0 H GLY A 50 70.997 10.454 1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 50 71.355 12.097 -0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 50 71.118 10.877 -1.851 1.00 0.00 H new ATOM 767 N SER A 51 68.866 12.246 -1.950 1.00 0.00 N ATOM 768 CA SER A 51 67.429 12.613 -2.060 1.00 0.00 C ATOM 769 C SER A 51 67.172 13.273 -3.415 1.00 0.00 C ATOM 770 O SER A 51 68.088 13.695 -4.094 1.00 0.00 O ATOM 771 CB SER A 51 67.063 13.586 -0.939 1.00 0.00 C ATOM 772 OG SER A 51 65.725 14.029 -1.121 1.00 0.00 O ATOM 0 H SER A 51 69.457 12.572 -2.715 1.00 0.00 H new ATOM 0 HA SER A 51 66.818 11.715 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.168 13.099 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 51 67.744 14.437 -0.944 1.00 0.00 H new ATOM 0 HG SER A 51 65.154 13.641 -0.425 1.00 0.00 H new ATOM 778 N GLY A 52 65.934 13.365 -3.815 1.00 0.00 N ATOM 779 CA GLY A 52 65.620 13.996 -5.128 1.00 0.00 C ATOM 780 C GLY A 52 64.827 13.012 -5.989 1.00 0.00 C ATOM 781 O GLY A 52 64.222 13.382 -6.975 1.00 0.00 O ATOM 0 H GLY A 52 65.126 13.031 -3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.044 14.909 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.541 14.281 -5.637 1.00 0.00 H new ATOM 785 N VAL A 53 64.825 11.760 -5.622 1.00 0.00 N ATOM 786 CA VAL A 53 64.072 10.752 -6.419 1.00 0.00 C ATOM 787 C VAL A 53 62.674 10.573 -5.823 1.00 0.00 C ATOM 788 O VAL A 53 61.798 9.997 -6.436 1.00 0.00 O ATOM 789 CB VAL A 53 64.814 9.416 -6.384 1.00 0.00 C ATOM 790 CG1 VAL A 53 63.932 8.326 -6.994 1.00 0.00 C ATOM 791 CG2 VAL A 53 66.109 9.530 -7.192 1.00 0.00 C ATOM 0 H VAL A 53 65.312 11.392 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 53 63.988 11.094 -7.451 1.00 0.00 H new ATOM 0 HB VAL A 53 65.049 9.160 -5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 53 64.461 7.373 -6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 53 63.008 8.243 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 53 63.697 8.584 -8.027 1.00 0.00 H new ATOM 0 HG21 VAL A 53 66.638 8.577 -7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 53 65.872 9.787 -8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 53 66.740 10.307 -6.760 1.00 0.00 H new ATOM 801 N TRP A 54 62.457 11.063 -4.632 1.00 0.00 N ATOM 802 CA TRP A 54 61.114 10.919 -4.003 1.00 0.00 C ATOM 803 C TRP A 54 60.672 12.265 -3.423 1.00 0.00 C ATOM 804 O TRP A 54 59.659 12.361 -2.760 1.00 0.00 O ATOM 805 CB TRP A 54 61.182 9.879 -2.884 1.00 0.00 C ATOM 806 CG TRP A 54 61.541 8.547 -3.461 1.00 0.00 C ATOM 807 CD1 TRP A 54 62.800 8.064 -3.578 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.657 7.520 -4.000 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.745 6.807 -4.154 1.00 0.00 N ATOM 810 CE2 TRP A 54 61.446 6.429 -4.433 1.00 0.00 C ATOM 811 CE3 TRP A 54 59.262 7.433 -4.155 1.00 0.00 C ATOM 812 CZ2 TRP A 54 60.871 5.290 -4.998 1.00 0.00 C ATOM 813 CZ3 TRP A 54 58.679 6.287 -4.723 1.00 0.00 C ATOM 814 CH2 TRP A 54 59.483 5.218 -5.144 1.00 0.00 C ATOM 0 H TRP A 54 63.150 11.556 -4.069 1.00 0.00 H new ATOM 0 HA TRP A 54 60.395 10.595 -4.756 1.00 0.00 H new ATOM 0 HB2 TRP A 54 61.922 10.177 -2.141 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.222 9.818 -2.371 1.00 0.00 H new ATOM 0 HD1 TRP A 54 63.700 8.576 -3.272 1.00 0.00 H new ATOM 0 HE1 TRP A 54 63.563 6.230 -4.349 1.00 0.00 H new ATOM 0 HE3 TRP A 54 58.635 8.252 -3.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 61.495 4.469 -5.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 57.606 6.230 -4.836 1.00 0.00 H new ATOM 0 HH2 TRP A 54 59.030 4.340 -5.581 1.00 0.00 H new ATOM 825 N GLY A 55 61.424 13.305 -3.667 1.00 0.00 N ATOM 826 CA GLY A 55 61.040 14.642 -3.129 1.00 0.00 C ATOM 827 C GLY A 55 62.300 15.447 -2.803 1.00 0.00 C ATOM 828 O GLY A 55 63.232 15.501 -3.580 1.00 0.00 O ATOM 0 H GLY A 55 62.285 13.287 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.433 15.178 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.431 14.523 -2.233 1.00 0.00 H new ATOM 832 N SER A 56 62.333 16.076 -1.660 1.00 0.00 N ATOM 833 CA SER A 56 63.532 16.880 -1.285 1.00 0.00 C ATOM 834 C SER A 56 64.070 16.401 0.065 1.00 0.00 C ATOM 835 O SER A 56 65.108 16.838 0.522 1.00 0.00 O ATOM 836 CB SER A 56 63.144 18.355 -1.183 1.00 0.00 C ATOM 837 OG SER A 56 61.874 18.551 -1.793 1.00 0.00 O ATOM 0 H SER A 56 61.582 16.068 -0.970 1.00 0.00 H new ATOM 0 HA SER A 56 64.302 16.757 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 56 63.109 18.662 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 56 63.895 18.975 -1.673 1.00 0.00 H new ATOM 0 HG SER A 56 61.622 19.496 -1.727 1.00 0.00 H new ATOM 843 N VAL A 57 63.372 15.504 0.708 1.00 0.00 N ATOM 844 CA VAL A 57 63.840 14.997 2.026 1.00 0.00 C ATOM 845 C VAL A 57 65.243 14.395 1.872 1.00 0.00 C ATOM 846 O VAL A 57 65.419 13.433 1.151 1.00 0.00 O ATOM 847 CB VAL A 57 62.876 13.917 2.509 1.00 0.00 C ATOM 848 CG1 VAL A 57 61.619 14.571 3.082 1.00 0.00 C ATOM 849 CG2 VAL A 57 62.491 13.018 1.331 1.00 0.00 C ATOM 0 H VAL A 57 62.496 15.101 0.375 1.00 0.00 H new ATOM 0 HA VAL A 57 63.874 15.814 2.747 1.00 0.00 H new ATOM 0 HB VAL A 57 63.358 13.320 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 57 60.932 13.798 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 57 61.892 15.213 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 57 61.135 15.169 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 57 61.802 12.245 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 57 62.009 13.617 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.387 12.551 0.922 1.00 0.00 H new ATOM 859 N PRO A 58 66.201 14.973 2.554 1.00 0.00 N ATOM 860 CA PRO A 58 67.599 14.504 2.509 1.00 0.00 C ATOM 861 C PRO A 58 67.769 13.252 3.375 1.00 0.00 C ATOM 862 O PRO A 58 67.697 13.309 4.587 1.00 0.00 O ATOM 863 CB PRO A 58 68.393 15.680 3.084 1.00 0.00 C ATOM 864 CG PRO A 58 67.398 16.503 3.935 1.00 0.00 C ATOM 865 CD PRO A 58 65.988 16.142 3.433 1.00 0.00 C ATOM 0 HA PRO A 58 67.927 14.227 1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.225 15.326 3.693 1.00 0.00 H new ATOM 0 HB3 PRO A 58 68.818 16.289 2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 58 67.505 16.266 4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 58 67.586 17.571 3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 58 65.321 15.901 4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 58 65.535 16.971 2.889 1.00 0.00 H new ATOM 873 N MET A 59 67.991 12.121 2.763 1.00 0.00 N ATOM 874 CA MET A 59 68.163 10.866 3.549 1.00 0.00 C ATOM 875 C MET A 59 69.629 10.726 3.976 1.00 0.00 C ATOM 876 O MET A 59 70.524 11.046 3.219 1.00 0.00 O ATOM 877 CB MET A 59 67.765 9.668 2.683 1.00 0.00 C ATOM 878 CG MET A 59 68.019 8.369 3.450 1.00 0.00 C ATOM 879 SD MET A 59 67.958 6.972 2.298 1.00 0.00 S ATOM 880 CE MET A 59 68.411 5.678 3.480 1.00 0.00 C ATOM 0 H MET A 59 68.061 12.012 1.751 1.00 0.00 H new ATOM 0 HA MET A 59 67.531 10.901 4.436 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.713 9.739 2.408 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.337 9.672 1.755 1.00 0.00 H new ATOM 0 HG2 MET A 59 68.991 8.408 3.942 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.271 8.243 4.233 1.00 0.00 H new ATOM 0 HE1 MET A 59 68.213 4.700 3.042 1.00 0.00 H new ATOM 0 HE2 MET A 59 69.471 5.760 3.720 1.00 0.00 H new ATOM 0 HE3 MET A 59 67.823 5.794 4.390 1.00 0.00 H new ATOM 890 N PRO A 60 69.830 10.255 5.183 1.00 0.00 N ATOM 891 CA PRO A 60 71.178 10.064 5.747 1.00 0.00 C ATOM 892 C PRO A 60 71.809 8.774 5.211 1.00 0.00 C ATOM 893 O PRO A 60 71.111 7.862 4.815 1.00 0.00 O ATOM 894 CB PRO A 60 70.922 9.957 7.254 1.00 0.00 C ATOM 895 CG PRO A 60 69.446 9.519 7.416 1.00 0.00 C ATOM 896 CD PRO A 60 68.734 9.872 6.096 1.00 0.00 C ATOM 0 HA PRO A 60 71.867 10.868 5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 60 71.595 9.232 7.712 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.100 10.913 7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.379 8.450 7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 60 68.980 10.032 8.257 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.171 9.023 5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.025 10.689 6.232 1.00 0.00 H new ATOM 904 N PRO A 61 73.118 8.738 5.222 1.00 0.00 N ATOM 905 CA PRO A 61 73.884 7.572 4.749 1.00 0.00 C ATOM 906 C PRO A 61 73.865 6.461 5.804 1.00 0.00 C ATOM 907 O PRO A 61 73.938 6.718 6.990 1.00 0.00 O ATOM 908 CB PRO A 61 75.300 8.123 4.561 1.00 0.00 C ATOM 909 CG PRO A 61 75.399 9.383 5.454 1.00 0.00 C ATOM 910 CD PRO A 61 73.954 9.856 5.707 1.00 0.00 C ATOM 0 HA PRO A 61 73.480 7.133 3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 61 76.046 7.383 4.849 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.485 8.372 3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 61 75.902 9.154 6.393 1.00 0.00 H new ATOM 0 HG3 PRO A 61 75.982 10.162 4.962 1.00 0.00 H new ATOM 0 HD2 PRO A 61 73.779 10.055 6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.737 10.779 5.169 1.00 0.00 H new ATOM 918 N GLN A 62 73.764 5.230 5.383 1.00 0.00 N ATOM 919 CA GLN A 62 73.737 4.107 6.364 1.00 0.00 C ATOM 920 C GLN A 62 75.093 3.398 6.368 1.00 0.00 C ATOM 921 O GLN A 62 75.895 3.562 5.469 1.00 0.00 O ATOM 922 CB GLN A 62 72.643 3.112 5.969 1.00 0.00 C ATOM 923 CG GLN A 62 71.355 3.874 5.649 1.00 0.00 C ATOM 924 CD GLN A 62 70.892 4.641 6.890 1.00 0.00 C ATOM 925 OE1 GLN A 62 71.322 4.355 7.990 1.00 0.00 O ATOM 926 NE2 GLN A 62 70.026 5.607 6.760 1.00 0.00 N ATOM 0 H GLN A 62 73.699 4.953 4.403 1.00 0.00 H new ATOM 0 HA GLN A 62 73.530 4.500 7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 62 72.960 2.531 5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.469 2.405 6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.525 4.566 4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.579 3.179 5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.665 5.847 5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.710 6.122 7.581 1.00 0.00 H new ATOM 935 N ASN A 63 75.357 2.609 7.374 1.00 0.00 N ATOM 936 CA ASN A 63 76.660 1.888 7.438 1.00 0.00 C ATOM 937 C ASN A 63 76.444 0.417 7.079 1.00 0.00 C ATOM 938 O ASN A 63 76.759 -0.471 7.845 1.00 0.00 O ATOM 939 CB ASN A 63 77.236 1.984 8.853 1.00 0.00 C ATOM 940 CG ASN A 63 76.781 3.288 9.510 1.00 0.00 C ATOM 941 OD1 ASN A 63 77.120 4.362 9.054 1.00 0.00 O ATOM 942 ND2 ASN A 63 76.020 3.241 10.569 1.00 0.00 N ATOM 0 H ASN A 63 74.725 2.433 8.155 1.00 0.00 H new ATOM 0 HA ASN A 63 77.357 2.341 6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 63 76.907 1.132 9.448 1.00 0.00 H new ATOM 0 HB3 ASN A 63 78.325 1.945 8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 63 75.710 4.105 11.013 1.00 0.00 H new ATOM 0 HD22 ASN A 63 75.735 2.340 10.953 1.00 0.00 H new ATOM 949 N VAL A 64 75.907 0.152 5.920 1.00 0.00 N ATOM 950 CA VAL A 64 75.669 -1.263 5.516 1.00 0.00 C ATOM 951 C VAL A 64 76.590 -1.625 4.349 1.00 0.00 C ATOM 952 O VAL A 64 77.042 -0.769 3.615 1.00 0.00 O ATOM 953 CB VAL A 64 74.211 -1.429 5.086 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.337 -1.639 6.324 1.00 0.00 C ATOM 955 CG2 VAL A 64 73.752 -0.170 4.348 1.00 0.00 C ATOM 0 H VAL A 64 75.623 0.853 5.236 1.00 0.00 H new ATOM 0 HA VAL A 64 75.878 -1.922 6.359 1.00 0.00 H new ATOM 0 HB VAL A 64 74.122 -2.292 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.297 -1.758 6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.664 -2.534 6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.426 -0.775 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.713 -0.287 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.840 0.692 5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.376 -0.017 3.467 1.00 0.00 H new ATOM 965 N THR A 65 76.872 -2.886 4.174 1.00 0.00 N ATOM 966 CA THR A 65 77.762 -3.301 3.055 1.00 0.00 C ATOM 967 C THR A 65 76.920 -3.588 1.812 1.00 0.00 C ATOM 968 O THR A 65 75.713 -3.453 1.823 1.00 0.00 O ATOM 969 CB THR A 65 78.526 -4.566 3.453 1.00 0.00 C ATOM 970 OG1 THR A 65 78.389 -4.778 4.851 1.00 0.00 O ATOM 971 CG2 THR A 65 80.005 -4.405 3.100 1.00 0.00 C ATOM 0 H THR A 65 76.524 -3.647 4.758 1.00 0.00 H new ATOM 0 HA THR A 65 78.469 -2.500 2.839 1.00 0.00 H new ATOM 0 HB THR A 65 78.120 -5.422 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 65 78.876 -5.589 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 65 80.547 -5.307 3.384 1.00 0.00 H new ATOM 0 HG22 THR A 65 80.107 -4.243 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 65 80.416 -3.550 3.637 1.00 0.00 H new ATOM 979 N ASP A 66 77.547 -3.983 0.738 1.00 0.00 N ATOM 980 CA ASP A 66 76.784 -4.280 -0.502 1.00 0.00 C ATOM 981 C ASP A 66 75.919 -5.521 -0.281 1.00 0.00 C ATOM 982 O ASP A 66 74.781 -5.578 -0.700 1.00 0.00 O ATOM 983 CB ASP A 66 77.759 -4.533 -1.654 1.00 0.00 C ATOM 984 CG ASP A 66 76.994 -4.547 -2.978 1.00 0.00 C ATOM 985 OD1 ASP A 66 76.078 -5.344 -3.103 1.00 0.00 O ATOM 986 OD2 ASP A 66 77.336 -3.760 -3.846 1.00 0.00 O ATOM 0 H ASP A 66 78.556 -4.112 0.668 1.00 0.00 H new ATOM 0 HA ASP A 66 76.146 -3.432 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 66 78.525 -3.758 -1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 66 78.272 -5.484 -1.508 1.00 0.00 H new ATOM 991 N ALA A 67 76.450 -6.515 0.374 1.00 0.00 N ATOM 992 CA ALA A 67 75.656 -7.751 0.620 1.00 0.00 C ATOM 993 C ALA A 67 74.398 -7.398 1.415 1.00 0.00 C ATOM 994 O ALA A 67 73.310 -7.839 1.103 1.00 0.00 O ATOM 995 CB ALA A 67 76.501 -8.749 1.416 1.00 0.00 C ATOM 0 H ALA A 67 77.398 -6.525 0.749 1.00 0.00 H new ATOM 0 HA ALA A 67 75.370 -8.196 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.921 -9.654 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.398 -9.000 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.787 -8.305 2.369 1.00 0.00 H new ATOM 1001 N GLU A 68 74.538 -6.604 2.442 1.00 0.00 N ATOM 1002 CA GLU A 68 73.352 -6.224 3.255 1.00 0.00 C ATOM 1003 C GLU A 68 72.351 -5.470 2.380 1.00 0.00 C ATOM 1004 O GLU A 68 71.182 -5.801 2.326 1.00 0.00 O ATOM 1005 CB GLU A 68 73.796 -5.330 4.416 1.00 0.00 C ATOM 1006 CG GLU A 68 74.976 -5.983 5.138 1.00 0.00 C ATOM 1007 CD GLU A 68 74.562 -6.355 6.563 1.00 0.00 C ATOM 1008 OE1 GLU A 68 73.372 -6.479 6.800 1.00 0.00 O ATOM 1009 OE2 GLU A 68 75.443 -6.508 7.394 1.00 0.00 O ATOM 0 H GLU A 68 75.423 -6.203 2.752 1.00 0.00 H new ATOM 0 HA GLU A 68 72.879 -7.123 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 68 74.083 -4.347 4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 68 72.969 -5.179 5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 68 75.299 -6.873 4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 68 75.825 -5.299 5.162 1.00 0.00 H new ATOM 1016 N ALA A 69 72.801 -4.464 1.686 1.00 0.00 N ATOM 1017 CA ALA A 69 71.873 -3.695 0.812 1.00 0.00 C ATOM 1018 C ALA A 69 71.295 -4.634 -0.247 1.00 0.00 C ATOM 1019 O ALA A 69 70.249 -4.385 -0.811 1.00 0.00 O ATOM 1020 CB ALA A 69 72.637 -2.559 0.126 1.00 0.00 C ATOM 0 H ALA A 69 73.769 -4.141 1.686 1.00 0.00 H new ATOM 0 HA ALA A 69 71.066 -3.274 1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 69 71.956 -1.997 -0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.057 -1.895 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 69 73.442 -2.976 -0.479 1.00 0.00 H new ATOM 1026 N LYS A 70 71.973 -5.716 -0.519 1.00 0.00 N ATOM 1027 CA LYS A 70 71.473 -6.676 -1.536 1.00 0.00 C ATOM 1028 C LYS A 70 70.232 -7.392 -0.999 1.00 0.00 C ATOM 1029 O LYS A 70 69.257 -7.570 -1.699 1.00 0.00 O ATOM 1030 CB LYS A 70 72.562 -7.705 -1.842 1.00 0.00 C ATOM 1031 CG LYS A 70 73.347 -7.265 -3.080 1.00 0.00 C ATOM 1032 CD LYS A 70 73.793 -8.498 -3.869 1.00 0.00 C ATOM 1033 CE LYS A 70 75.294 -8.413 -4.141 1.00 0.00 C ATOM 1034 NZ LYS A 70 75.521 -7.829 -5.493 1.00 0.00 N ATOM 0 H LYS A 70 72.855 -5.975 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 70 71.214 -6.137 -2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 70 73.233 -7.804 -0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.115 -8.684 -2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 70 72.728 -6.624 -3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 70 74.215 -6.677 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 70 73.565 -9.404 -3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 70 73.245 -8.559 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 70 75.778 -7.799 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 70 75.742 -9.405 -4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 76.543 -7.771 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 75.072 -8.432 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 75.107 -6.876 -5.533 1.00 0.00 H new ATOM 1048 N GLN A 71 70.263 -7.811 0.238 1.00 0.00 N ATOM 1049 CA GLN A 71 69.089 -8.518 0.814 1.00 0.00 C ATOM 1050 C GLN A 71 67.950 -7.523 1.039 1.00 0.00 C ATOM 1051 O GLN A 71 66.796 -7.895 1.096 1.00 0.00 O ATOM 1052 CB GLN A 71 69.480 -9.166 2.146 1.00 0.00 C ATOM 1053 CG GLN A 71 68.219 -9.557 2.923 1.00 0.00 C ATOM 1054 CD GLN A 71 67.851 -8.434 3.893 1.00 0.00 C ATOM 1055 OE1 GLN A 71 68.644 -8.059 4.733 1.00 0.00 O ATOM 1056 NE2 GLN A 71 66.673 -7.876 3.813 1.00 0.00 N ATOM 0 H GLN A 71 71.053 -7.693 0.873 1.00 0.00 H new ATOM 0 HA GLN A 71 68.759 -9.292 0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.095 -10.048 1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.081 -8.473 2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 71 67.396 -9.741 2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 71 68.389 -10.484 3.470 1.00 0.00 H new ATOM 0 HE21 GLN A 71 66.007 -8.190 3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 71 66.419 -7.126 4.456 1.00 0.00 H new ATOM 1065 N LEU A 72 68.257 -6.263 1.167 1.00 0.00 N ATOM 1066 CA LEU A 72 67.175 -5.266 1.383 1.00 0.00 C ATOM 1067 C LEU A 72 66.516 -4.940 0.043 1.00 0.00 C ATOM 1068 O LEU A 72 65.356 -4.583 -0.019 1.00 0.00 O ATOM 1069 CB LEU A 72 67.759 -3.991 1.997 1.00 0.00 C ATOM 1070 CG LEU A 72 68.093 -4.240 3.468 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.366 -3.474 3.840 1.00 0.00 C ATOM 1072 CD2 LEU A 72 66.934 -3.755 4.343 1.00 0.00 C ATOM 0 H LEU A 72 69.203 -5.883 1.132 1.00 0.00 H new ATOM 0 HA LEU A 72 66.431 -5.678 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 72 68.656 -3.692 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.045 -3.172 1.909 1.00 0.00 H new ATOM 0 HG LEU A 72 68.250 -5.307 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 72 69.604 -3.652 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.192 -3.817 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.209 -2.407 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.171 -3.932 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 72 66.778 -2.688 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.027 -4.299 4.079 1.00 0.00 H new ATOM 1084 N ALA A 73 67.242 -5.070 -1.033 1.00 0.00 N ATOM 1085 CA ALA A 73 66.646 -4.777 -2.366 1.00 0.00 C ATOM 1086 C ALA A 73 65.959 -6.038 -2.891 1.00 0.00 C ATOM 1087 O ALA A 73 64.996 -5.970 -3.629 1.00 0.00 O ATOM 1088 CB ALA A 73 67.745 -4.347 -3.340 1.00 0.00 C ATOM 0 H ALA A 73 68.218 -5.365 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 73 65.918 -3.971 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.305 -4.134 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.238 -3.452 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 73 68.476 -5.149 -3.440 1.00 0.00 H new ATOM 1094 N GLN A 74 66.438 -7.189 -2.506 1.00 0.00 N ATOM 1095 CA GLN A 74 65.803 -8.451 -2.970 1.00 0.00 C ATOM 1096 C GLN A 74 64.561 -8.711 -2.121 1.00 0.00 C ATOM 1097 O GLN A 74 63.549 -9.178 -2.603 1.00 0.00 O ATOM 1098 CB GLN A 74 66.798 -9.612 -2.828 1.00 0.00 C ATOM 1099 CG GLN A 74 66.802 -10.132 -1.387 1.00 0.00 C ATOM 1100 CD GLN A 74 67.746 -11.331 -1.280 1.00 0.00 C ATOM 1101 OE1 GLN A 74 67.312 -12.439 -1.032 1.00 0.00 O ATOM 1102 NE2 GLN A 74 69.026 -11.158 -1.457 1.00 0.00 N ATOM 0 H GLN A 74 67.242 -7.308 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 74 65.518 -8.366 -4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 74 66.529 -10.417 -3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 74 67.798 -9.279 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 74 67.120 -9.343 -0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 74 65.794 -10.422 -1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 74 69.391 -10.229 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 74 69.662 -11.952 -1.387 1.00 0.00 H new ATOM 1111 N TRP A 75 64.634 -8.398 -0.856 1.00 0.00 N ATOM 1112 CA TRP A 75 63.460 -8.610 0.034 1.00 0.00 C ATOM 1113 C TRP A 75 62.446 -7.486 -0.205 1.00 0.00 C ATOM 1114 O TRP A 75 61.254 -7.714 -0.254 1.00 0.00 O ATOM 1115 CB TRP A 75 63.927 -8.600 1.495 1.00 0.00 C ATOM 1116 CG TRP A 75 62.767 -8.339 2.406 1.00 0.00 C ATOM 1117 CD1 TRP A 75 61.667 -9.121 2.514 1.00 0.00 C ATOM 1118 CD2 TRP A 75 62.576 -7.234 3.334 1.00 0.00 C ATOM 1119 NE1 TRP A 75 60.814 -8.565 3.451 1.00 0.00 N ATOM 1120 CE2 TRP A 75 61.331 -7.401 3.985 1.00 0.00 C ATOM 1121 CE3 TRP A 75 63.357 -6.114 3.670 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 60.877 -6.487 4.937 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 62.903 -5.192 4.628 1.00 0.00 C ATOM 1124 CH2 TRP A 75 61.665 -5.379 5.261 1.00 0.00 C ATOM 0 H TRP A 75 65.458 -8.004 -0.401 1.00 0.00 H new ATOM 0 HA TRP A 75 62.991 -9.570 -0.182 1.00 0.00 H new ATOM 0 HB2 TRP A 75 64.387 -9.556 1.744 1.00 0.00 H new ATOM 0 HB3 TRP A 75 64.689 -7.834 1.636 1.00 0.00 H new ATOM 0 HD1 TRP A 75 61.485 -10.030 1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 75 59.914 -8.966 3.715 1.00 0.00 H new ATOM 0 HE3 TRP A 75 64.312 -5.962 3.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 59.923 -6.635 5.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 63.510 -4.335 4.878 1.00 0.00 H new ATOM 0 HH2 TRP A 75 61.321 -4.668 5.998 1.00 0.00 H new ATOM 1135 N ILE A 76 62.910 -6.274 -0.355 1.00 0.00 N ATOM 1136 CA ILE A 76 61.970 -5.143 -0.592 1.00 0.00 C ATOM 1137 C ILE A 76 61.287 -5.326 -1.951 1.00 0.00 C ATOM 1138 O ILE A 76 60.127 -5.006 -2.120 1.00 0.00 O ATOM 1139 CB ILE A 76 62.750 -3.825 -0.576 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.096 -3.463 0.869 1.00 0.00 C ATOM 1141 CG2 ILE A 76 61.900 -2.709 -1.189 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.104 -2.313 0.881 1.00 0.00 C ATOM 0 H ILE A 76 63.897 -6.020 -0.324 1.00 0.00 H new ATOM 0 HA ILE A 76 61.212 -5.123 0.191 1.00 0.00 H new ATOM 0 HB ILE A 76 63.664 -3.940 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.194 -3.175 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 76 63.512 -4.330 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.461 -1.775 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.650 -2.966 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 76 60.983 -2.591 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.350 -2.056 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.010 -2.618 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 76 63.672 -1.445 0.384 1.00 0.00 H new ATOM 1154 N LEU A 77 61.996 -5.838 -2.919 1.00 0.00 N ATOM 1155 CA LEU A 77 61.385 -6.041 -4.264 1.00 0.00 C ATOM 1156 C LEU A 77 60.457 -7.256 -4.225 1.00 0.00 C ATOM 1157 O LEU A 77 59.386 -7.250 -4.797 1.00 0.00 O ATOM 1158 CB LEU A 77 62.491 -6.274 -5.297 1.00 0.00 C ATOM 1159 CG LEU A 77 63.169 -4.943 -5.628 1.00 0.00 C ATOM 1160 CD1 LEU A 77 64.352 -5.189 -6.567 1.00 0.00 C ATOM 1161 CD2 LEU A 77 62.161 -4.018 -6.315 1.00 0.00 C ATOM 0 H LEU A 77 62.972 -6.125 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 77 60.812 -5.156 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.224 -6.981 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 77 62.072 -6.715 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 77 63.526 -4.479 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 77 64.834 -4.240 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 77 65.070 -5.850 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 77 63.996 -5.652 -7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 77 62.641 -3.069 -6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 77 61.806 -4.485 -7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 77 61.317 -3.841 -5.649 1.00 0.00 H new ATOM 1173 N SER A 78 60.858 -8.299 -3.552 1.00 0.00 N ATOM 1174 CA SER A 78 59.996 -9.513 -3.478 1.00 0.00 C ATOM 1175 C SER A 78 58.947 -9.332 -2.378 1.00 0.00 C ATOM 1176 O SER A 78 58.114 -10.187 -2.155 1.00 0.00 O ATOM 1177 CB SER A 78 60.861 -10.734 -3.160 1.00 0.00 C ATOM 1178 OG SER A 78 60.025 -11.798 -2.723 1.00 0.00 O ATOM 0 H SER A 78 61.744 -8.364 -3.051 1.00 0.00 H new ATOM 0 HA SER A 78 59.496 -9.660 -4.435 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.423 -11.037 -4.044 1.00 0.00 H new ATOM 0 HB3 SER A 78 61.590 -10.487 -2.388 1.00 0.00 H new ATOM 0 HG SER A 78 59.090 -11.504 -2.732 1.00 0.00 H new ATOM 1184 N ILE A 79 58.978 -8.222 -1.691 1.00 0.00 N ATOM 1185 CA ILE A 79 57.981 -7.987 -0.609 1.00 0.00 C ATOM 1186 C ILE A 79 56.582 -7.879 -1.231 1.00 0.00 C ATOM 1187 O ILE A 79 56.426 -7.490 -2.371 1.00 0.00 O ATOM 1188 CB ILE A 79 58.362 -6.694 0.148 1.00 0.00 C ATOM 1189 CG1 ILE A 79 58.866 -7.059 1.545 1.00 0.00 C ATOM 1190 CG2 ILE A 79 57.163 -5.747 0.286 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.317 -5.789 2.269 1.00 0.00 C ATOM 0 H ILE A 79 59.651 -7.468 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 79 57.976 -8.815 0.100 1.00 0.00 H new ATOM 0 HB ILE A 79 59.138 -6.185 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 79 58.076 -7.553 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 79 59.695 -7.763 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.468 -4.849 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.801 -5.472 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.366 -6.246 0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 79 59.677 -6.046 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 79 60.120 -5.314 1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.476 -5.100 2.354 1.00 0.00 H new ATOM 1203 N LYS A 80 55.565 -8.216 -0.485 1.00 0.00 N ATOM 1204 CA LYS A 80 54.181 -8.126 -1.029 1.00 0.00 C ATOM 1205 C LYS A 80 53.325 -7.260 -0.104 1.00 0.00 C ATOM 1206 O LYS A 80 53.685 -7.130 1.055 1.00 0.00 O ATOM 1207 CB LYS A 80 53.571 -9.527 -1.124 1.00 0.00 C ATOM 1208 CG LYS A 80 52.190 -9.438 -1.777 1.00 0.00 C ATOM 1209 CD LYS A 80 51.882 -10.749 -2.503 1.00 0.00 C ATOM 1210 CE LYS A 80 51.042 -11.650 -1.595 1.00 0.00 C ATOM 1211 NZ LYS A 80 51.835 -12.017 -0.388 1.00 0.00 N ATOM 1212 OXT LYS A 80 52.324 -6.743 -0.568 1.00 0.00 O ATOM 0 H LYS A 80 55.633 -8.549 0.477 1.00 0.00 H new ATOM 0 HA LYS A 80 54.213 -7.678 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 80 54.220 -10.179 -1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 80 53.488 -9.967 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 80 51.430 -9.242 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 80 52.162 -8.606 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 80 51.345 -10.546 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 80 52.809 -11.253 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 80 50.128 -11.136 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 80 50.742 -12.549 -2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 51.438 -12.878 0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 52.823 -12.191 -0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 51.798 -11.239 0.301 1.00 0.00 H new TER 1226 LYS A 80 HETATM 1227 FE HEC A 81 65.629 5.118 3.537 1.00 0.00 FE HETATM 1228 CHA HEC A 81 64.771 6.198 0.455 1.00 0.00 C HETATM 1229 CHB HEC A 81 66.555 2.137 2.252 1.00 0.00 C HETATM 1230 CHC HEC A 81 66.765 4.182 6.573 1.00 0.00 C HETATM 1231 CHD HEC A 81 64.284 7.901 4.897 1.00 0.00 C HETATM 1232 NA HEC A 81 65.653 4.336 1.747 1.00 0.00 N HETATM 1233 C1A HEC A 81 65.266 4.922 0.563 1.00 0.00 C HETATM 1234 C2A HEC A 81 65.361 3.998 -0.544 1.00 0.00 C HETATM 1235 C3A HEC A 81 65.814 2.835 -0.029 1.00 0.00 C HETATM 1236 C4A HEC A 81 66.017 3.060 1.386 1.00 0.00 C HETATM 1237 CMA HEC A 81 66.015 1.529 -0.781 1.00 0.00 C HETATM 1238 CAA HEC A 81 64.982 4.278 -1.992 1.00 0.00 C HETATM 1239 CBA HEC A 81 66.220 4.364 -2.887 1.00 0.00 C HETATM 1240 CGA HEC A 81 67.002 5.639 -2.560 1.00 0.00 C HETATM 1241 O1A HEC A 81 67.787 5.606 -1.627 1.00 0.00 O HETATM 1242 O2A HEC A 81 66.802 6.625 -3.249 1.00 0.00 O HETATM 1243 NB HEC A 81 66.489 3.516 4.253 1.00 0.00 N HETATM 1244 C1B HEC A 81 66.792 2.349 3.592 1.00 0.00 C HETATM 1245 C2B HEC A 81 67.414 1.389 4.481 1.00 0.00 C HETATM 1246 C3B HEC A 81 67.482 1.977 5.695 1.00 0.00 C HETATM 1247 C4B HEC A 81 66.918 3.293 5.540 1.00 0.00 C HETATM 1248 CMB HEC A 81 67.894 -0.008 4.119 1.00 0.00 C HETATM 1249 CAB HEC A 81 67.992 1.382 7.007 1.00 0.00 C HETATM 1250 CBB HEC A 81 69.510 1.209 7.006 1.00 0.00 C HETATM 1251 NC HEC A 81 65.549 5.877 5.335 1.00 0.00 N HETATM 1252 C1C HEC A 81 66.123 5.389 6.484 1.00 0.00 C HETATM 1253 C2C HEC A 81 65.837 6.235 7.616 1.00 0.00 C HETATM 1254 C3C HEC A 81 65.022 7.209 7.172 1.00 0.00 C HETATM 1255 C4C HEC A 81 64.888 7.010 5.747 1.00 0.00 C HETATM 1256 CMC HEC A 81 66.407 6.099 9.017 1.00 0.00 C HETATM 1257 CAC HEC A 81 64.321 8.262 8.022 1.00 0.00 C HETATM 1258 CBC HEC A 81 65.277 8.982 8.972 1.00 0.00 C HETATM 1259 ND HEC A 81 64.768 6.722 2.827 1.00 0.00 N HETATM 1260 C1D HEC A 81 64.251 7.786 3.529 1.00 0.00 C HETATM 1261 C2D HEC A 81 63.710 8.789 2.647 1.00 0.00 C HETATM 1262 C3D HEC A 81 63.909 8.344 1.391 1.00 0.00 C HETATM 1263 C4D HEC A 81 64.539 7.048 1.511 1.00 0.00 C HETATM 1264 CMD HEC A 81 63.033 10.089 3.050 1.00 0.00 C HETATM 1265 CAD HEC A 81 63.587 9.094 0.110 1.00 0.00 C HETATM 1266 CBD HEC A 81 64.544 10.272 -0.079 1.00 0.00 C HETATM 1267 CGD HEC A 81 64.203 11.003 -1.378 1.00 0.00 C HETATM 1268 O1D HEC A 81 64.665 10.565 -2.419 1.00 0.00 O HETATM 1269 O2D HEC A 81 63.485 11.987 -1.311 1.00 0.00 O HETATM 0 HMD3 HEC A 81 62.153 9.869 3.654 1.00 0.00 H new HETATM 0 HMD2 HEC A 81 63.728 10.697 3.629 1.00 0.00 H new HETATM 0 HMD1 HEC A 81 62.732 10.635 2.156 1.00 0.00 H new HETATM 0 HMC3 HEC A 81 66.136 5.126 9.427 1.00 0.00 H new HETATM 0 HMC2 HEC A 81 67.493 6.186 8.978 1.00 0.00 H new HETATM 0 HMC1 HEC A 81 66.002 6.887 9.653 1.00 0.00 H new HETATM 0 HMB3 HEC A 81 67.054 -0.598 3.753 1.00 0.00 H new HETATM 0 HMB2 HEC A 81 68.656 0.059 3.342 1.00 0.00 H new HETATM 0 HMB1 HEC A 81 68.317 -0.487 5.002 1.00 0.00 H new HETATM 0 HMA3 HEC A 81 65.064 1.200 -1.200 1.00 0.00 H new HETATM 0 HMA2 HEC A 81 66.734 1.680 -1.586 1.00 0.00 H new HETATM 0 HMA1 HEC A 81 66.392 0.769 -0.096 1.00 0.00 H new HETATM 0 HBD2 HEC A 81 64.467 10.956 0.766 1.00 0.00 H new HETATM 0 HBD1 HEC A 81 65.574 9.916 -0.109 1.00 0.00 H new HETATM 0 HBC3 HEC A 81 65.734 8.258 9.646 1.00 0.00 H new HETATM 0 HBC2 HEC A 81 66.055 9.482 8.395 1.00 0.00 H new HETATM 0 HBC1 HEC A 81 64.725 9.721 9.553 1.00 0.00 H new HETATM 0 HBB3 HEC A 81 69.800 0.541 6.195 1.00 0.00 H new HETATM 0 HBB2 HEC A 81 69.987 2.179 6.865 1.00 0.00 H new HETATM 0 HBB1 HEC A 81 69.828 0.783 7.958 1.00 0.00 H new HETATM 0 HBA2 HEC A 81 66.852 3.489 -2.736 1.00 0.00 H new HETATM 0 HBA1 HEC A 81 65.924 4.366 -3.936 1.00 0.00 H new HETATM 0 HAD2 HEC A 81 63.661 8.418 -0.742 1.00 0.00 H new HETATM 0 HAD1 HEC A 81 62.559 9.455 0.142 1.00 0.00 H new HETATM 0 HAA2 HEC A 81 64.322 3.490 -2.356 1.00 0.00 H new HETATM 0 HAA1 HEC A 81 64.424 5.213 -2.049 1.00 0.00 H new HETATM 0 HHD HEC A 81 63.793 8.767 5.341 1.00 0.00 H new HETATM 0 HHC HEC A 81 67.187 3.907 7.540 1.00 0.00 H new HETATM 0 HHB HEC A 81 66.815 1.160 1.845 1.00 0.00 H new HETATM 0 HHA HEC A 81 64.544 6.566 -0.546 1.00 0.00 H new