USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=11 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 32 TYR OH : rot 30:sc= -0.169 USER MOD Set 1.2: A 45 LYS NZ :NH3+ 158:sc= -0.401 (180deg=-0.935) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.073) 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) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-7.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 119:sc= -0.778 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0255 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 180:sc= -1.88! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 156:sc= -0.261 (180deg=-1.48!) USER MOD Single : A 62 GLN : amide:sc= -0.399 K(o=-0.4,f=-3.6!) USER MOD Single : A 63 ASN : amide:sc= -1.67! K(o=-1.7!,f=-2.3) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0682 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -6.65! C(o=-6.7!,f=-11!) USER MOD Single : A 74 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.3) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -149:sc= -0.405 (180deg=-1.67!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 64.448 -11.916 6.759 1.00 0.00 N ATOM 2 CA ASN A 1 63.239 -11.323 6.120 1.00 0.00 C ATOM 3 C ASN A 1 62.814 -10.075 6.895 1.00 0.00 C ATOM 4 O ASN A 1 63.065 -8.960 6.483 1.00 0.00 O ATOM 5 CB ASN A 1 62.102 -12.348 6.134 1.00 0.00 C ATOM 6 CG ASN A 1 61.609 -12.582 4.705 1.00 0.00 C ATOM 7 OD1 ASN A 1 62.093 -13.459 4.018 1.00 0.00 O ATOM 8 ND2 ASN A 1 60.659 -11.828 4.225 1.00 0.00 N ATOM 0 H1 ASN A 1 64.738 -12.765 6.233 1.00 0.00 H new ATOM 0 H2 ASN A 1 65.222 -11.221 6.749 1.00 0.00 H new ATOM 0 H3 ASN A 1 64.229 -12.176 7.742 1.00 0.00 H new ATOM 0 HA ASN A 1 63.467 -11.049 5.090 1.00 0.00 H new ATOM 0 HB2 ASN A 1 62.449 -13.286 6.569 1.00 0.00 H new ATOM 0 HB3 ASN A 1 61.283 -11.990 6.759 1.00 0.00 H new ATOM 0 HD21 ASN A 1 60.323 -11.975 3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 1 60.252 -11.091 4.801 1.00 0.00 H new ATOM 17 N GLU A 2 62.173 -10.255 8.015 1.00 0.00 N ATOM 18 CA GLU A 2 61.733 -9.081 8.819 1.00 0.00 C ATOM 19 C GLU A 2 62.405 -9.124 10.192 1.00 0.00 C ATOM 20 O GLU A 2 61.790 -9.460 11.184 1.00 0.00 O ATOM 21 CB GLU A 2 60.213 -9.120 8.993 1.00 0.00 C ATOM 22 CG GLU A 2 59.538 -9.011 7.625 1.00 0.00 C ATOM 23 CD GLU A 2 58.347 -9.969 7.566 1.00 0.00 C ATOM 24 OE1 GLU A 2 57.608 -10.025 8.536 1.00 0.00 O ATOM 25 OE2 GLU A 2 58.192 -10.628 6.551 1.00 0.00 O ATOM 0 H GLU A 2 61.934 -11.165 8.409 1.00 0.00 H new ATOM 0 HA GLU A 2 62.015 -8.162 8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 2 59.916 -10.047 9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 2 59.889 -8.302 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 2 59.204 -7.988 7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 2 60.251 -9.251 6.836 1.00 0.00 H new ATOM 32 N GLN A 3 63.663 -8.786 10.259 1.00 0.00 N ATOM 33 CA GLN A 3 64.372 -8.807 11.565 1.00 0.00 C ATOM 34 C GLN A 3 65.587 -7.880 11.506 1.00 0.00 C ATOM 35 O GLN A 3 65.736 -6.985 12.313 1.00 0.00 O ATOM 36 CB GLN A 3 64.828 -10.234 11.900 1.00 0.00 C ATOM 37 CG GLN A 3 64.903 -11.077 10.623 1.00 0.00 C ATOM 38 CD GLN A 3 65.274 -12.517 10.983 1.00 0.00 C ATOM 39 OE1 GLN A 3 66.242 -12.751 11.680 1.00 0.00 O ATOM 40 NE2 GLN A 3 64.540 -13.499 10.537 1.00 0.00 N ATOM 0 H GLN A 3 64.230 -8.496 9.462 1.00 0.00 H new ATOM 0 HA GLN A 3 63.689 -8.463 12.342 1.00 0.00 H new ATOM 0 HB2 GLN A 3 65.804 -10.208 12.385 1.00 0.00 H new ATOM 0 HB3 GLN A 3 64.133 -10.690 12.605 1.00 0.00 H new ATOM 0 HG2 GLN A 3 63.945 -11.056 10.104 1.00 0.00 H new ATOM 0 HG3 GLN A 3 65.644 -10.659 9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 3 63.728 -13.304 9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 3 64.779 -14.462 10.773 1.00 0.00 H new ATOM 49 N LEU A 4 66.454 -8.085 10.556 1.00 0.00 N ATOM 50 CA LEU A 4 67.655 -7.210 10.447 1.00 0.00 C ATOM 51 C LEU A 4 67.208 -5.786 10.112 1.00 0.00 C ATOM 52 O LEU A 4 67.859 -4.822 10.463 1.00 0.00 O ATOM 53 CB LEU A 4 68.580 -7.732 9.345 1.00 0.00 C ATOM 54 CG LEU A 4 67.933 -7.502 7.979 1.00 0.00 C ATOM 55 CD1 LEU A 4 68.608 -6.314 7.289 1.00 0.00 C ATOM 56 CD2 LEU A 4 68.105 -8.756 7.119 1.00 0.00 C ATOM 0 H LEU A 4 66.384 -8.819 9.851 1.00 0.00 H new ATOM 0 HA LEU A 4 68.195 -7.213 11.394 1.00 0.00 H new ATOM 0 HB2 LEU A 4 69.542 -7.223 9.393 1.00 0.00 H new ATOM 0 HB3 LEU A 4 68.774 -8.794 9.492 1.00 0.00 H new ATOM 0 HG LEU A 4 66.871 -7.291 8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 4 68.147 -6.149 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.489 -5.421 7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 4 69.669 -6.525 7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 4 67.644 -8.595 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 4 69.167 -8.965 6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 4 67.626 -9.603 7.611 1.00 0.00 H new ATOM 68 N ALA A 5 66.096 -5.648 9.444 1.00 0.00 N ATOM 69 CA ALA A 5 65.600 -4.287 9.095 1.00 0.00 C ATOM 70 C ALA A 5 65.174 -3.569 10.376 1.00 0.00 C ATOM 71 O ALA A 5 65.327 -2.371 10.509 1.00 0.00 O ATOM 72 CB ALA A 5 64.399 -4.406 8.156 1.00 0.00 C ATOM 0 H ALA A 5 65.509 -6.419 9.125 1.00 0.00 H new ATOM 0 HA ALA A 5 66.390 -3.723 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 5 64.036 -3.410 7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 5 64.698 -4.927 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 5 63.605 -4.966 8.650 1.00 0.00 H new ATOM 78 N LYS A 6 64.645 -4.295 11.320 1.00 0.00 N ATOM 79 CA LYS A 6 64.211 -3.661 12.594 1.00 0.00 C ATOM 80 C LYS A 6 65.446 -3.240 13.394 1.00 0.00 C ATOM 81 O LYS A 6 65.404 -2.312 14.179 1.00 0.00 O ATOM 82 CB LYS A 6 63.391 -4.667 13.405 1.00 0.00 C ATOM 83 CG LYS A 6 63.020 -4.057 14.757 1.00 0.00 C ATOM 84 CD LYS A 6 64.025 -4.515 15.815 1.00 0.00 C ATOM 85 CE LYS A 6 63.701 -3.843 17.151 1.00 0.00 C ATOM 86 NZ LYS A 6 64.815 -2.929 17.528 1.00 0.00 N ATOM 0 H LYS A 6 64.494 -5.302 11.264 1.00 0.00 H new ATOM 0 HA LYS A 6 63.600 -2.784 12.381 1.00 0.00 H new ATOM 0 HB2 LYS A 6 62.488 -4.940 12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 6 63.964 -5.583 13.553 1.00 0.00 H new ATOM 0 HG2 LYS A 6 63.018 -2.969 14.689 1.00 0.00 H new ATOM 0 HG3 LYS A 6 62.013 -4.361 15.041 1.00 0.00 H new ATOM 0 HD2 LYS A 6 63.987 -5.599 15.922 1.00 0.00 H new ATOM 0 HD3 LYS A 6 65.038 -4.260 15.504 1.00 0.00 H new ATOM 0 HE2 LYS A 6 62.768 -3.284 17.073 1.00 0.00 H new ATOM 0 HE3 LYS A 6 63.557 -4.597 17.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 64.596 -2.471 18.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 65.696 -3.474 17.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 64.932 -2.202 16.793 1.00 0.00 H new ATOM 100 N GLN A 7 66.548 -3.913 13.199 1.00 0.00 N ATOM 101 CA GLN A 7 67.785 -3.554 13.941 1.00 0.00 C ATOM 102 C GLN A 7 68.444 -2.343 13.283 1.00 0.00 C ATOM 103 O GLN A 7 68.469 -1.259 13.832 1.00 0.00 O ATOM 104 CB GLN A 7 68.759 -4.734 13.918 1.00 0.00 C ATOM 105 CG GLN A 7 68.367 -5.745 14.997 1.00 0.00 C ATOM 106 CD GLN A 7 69.587 -6.586 15.376 1.00 0.00 C ATOM 107 OE1 GLN A 7 70.200 -7.205 14.529 1.00 0.00 O ATOM 108 NE2 GLN A 7 69.968 -6.635 16.624 1.00 0.00 N ATOM 0 H GLN A 7 66.642 -4.698 12.555 1.00 0.00 H new ATOM 0 HA GLN A 7 67.528 -3.314 14.973 1.00 0.00 H new ATOM 0 HB2 GLN A 7 68.746 -5.210 12.938 1.00 0.00 H new ATOM 0 HB3 GLN A 7 69.776 -4.382 14.088 1.00 0.00 H new ATOM 0 HG2 GLN A 7 67.983 -5.225 15.875 1.00 0.00 H new ATOM 0 HG3 GLN A 7 67.567 -6.389 14.633 1.00 0.00 H new ATOM 0 HE21 GLN A 7 69.453 -6.115 17.335 1.00 0.00 H new ATOM 0 HE22 GLN A 7 70.780 -7.193 16.888 1.00 0.00 H new ATOM 117 N LYS A 8 68.977 -2.522 12.107 1.00 0.00 N ATOM 118 CA LYS A 8 69.637 -1.386 11.403 1.00 0.00 C ATOM 119 C LYS A 8 68.778 -0.128 11.545 1.00 0.00 C ATOM 120 O LYS A 8 69.254 0.920 11.937 1.00 0.00 O ATOM 121 CB LYS A 8 69.797 -1.729 9.919 1.00 0.00 C ATOM 122 CG LYS A 8 71.270 -2.006 9.613 1.00 0.00 C ATOM 123 CD LYS A 8 71.410 -3.392 8.979 1.00 0.00 C ATOM 124 CE LYS A 8 72.471 -4.196 9.734 1.00 0.00 C ATOM 125 NZ LYS A 8 71.881 -5.485 10.196 1.00 0.00 N ATOM 0 H LYS A 8 68.984 -3.408 11.601 1.00 0.00 H new ATOM 0 HA LYS A 8 70.618 -1.207 11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 8 69.193 -2.601 9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 8 69.436 -0.905 9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 8 71.661 -1.245 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 8 71.859 -1.953 10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 8 70.454 -3.915 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 8 71.689 -3.297 7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 8 73.327 -4.387 9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 8 72.837 -3.625 10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 72.601 -6.032 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 71.077 -5.292 10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 71.552 -6.031 9.374 1.00 0.00 H new ATOM 139 N GLY A 9 67.515 -0.223 11.231 1.00 0.00 N ATOM 140 CA GLY A 9 66.628 0.967 11.350 1.00 0.00 C ATOM 141 C GLY A 9 66.181 1.411 9.957 1.00 0.00 C ATOM 142 O GLY A 9 66.138 2.586 9.653 1.00 0.00 O ATOM 0 H GLY A 9 67.060 -1.073 10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.759 0.726 11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 9 67.156 1.779 11.850 1.00 0.00 H new ATOM 146 N CYS A 10 65.845 0.480 9.105 1.00 0.00 N ATOM 147 CA CYS A 10 65.402 0.853 7.734 1.00 0.00 C ATOM 148 C CYS A 10 63.907 1.179 7.753 1.00 0.00 C ATOM 149 O CYS A 10 63.438 2.024 7.016 1.00 0.00 O ATOM 150 CB CYS A 10 65.663 -0.311 6.776 1.00 0.00 C ATOM 151 SG CYS A 10 67.395 -0.822 6.910 1.00 0.00 S ATOM 0 H CYS A 10 65.859 -0.521 9.300 1.00 0.00 H new ATOM 0 HA CYS A 10 65.959 1.727 7.397 1.00 0.00 H new ATOM 0 HB2 CYS A 10 65.006 -1.147 7.015 1.00 0.00 H new ATOM 0 HB3 CYS A 10 65.439 -0.011 5.752 1.00 0.00 H new ATOM 156 N MET A 11 63.156 0.519 8.591 1.00 0.00 N ATOM 157 CA MET A 11 61.694 0.796 8.656 1.00 0.00 C ATOM 158 C MET A 11 61.458 2.091 9.436 1.00 0.00 C ATOM 159 O MET A 11 60.366 2.624 9.454 1.00 0.00 O ATOM 160 CB MET A 11 60.986 -0.364 9.362 1.00 0.00 C ATOM 161 CG MET A 11 60.477 -1.362 8.319 1.00 0.00 C ATOM 162 SD MET A 11 59.392 -2.569 9.117 1.00 0.00 S ATOM 163 CE MET A 11 58.815 -3.384 7.609 1.00 0.00 C ATOM 0 H MET A 11 63.491 -0.199 9.233 1.00 0.00 H new ATOM 0 HA MET A 11 61.297 0.902 7.647 1.00 0.00 H new ATOM 0 HB2 MET A 11 61.672 -0.858 10.050 1.00 0.00 H new ATOM 0 HB3 MET A 11 60.154 0.012 9.957 1.00 0.00 H new ATOM 0 HG2 MET A 11 59.937 -0.837 7.531 1.00 0.00 H new ATOM 0 HG3 MET A 11 61.317 -1.870 7.846 1.00 0.00 H new ATOM 0 HE1 MET A 11 58.119 -4.181 7.870 1.00 0.00 H new ATOM 0 HE2 MET A 11 58.312 -2.657 6.972 1.00 0.00 H new ATOM 0 HE3 MET A 11 59.666 -3.806 7.075 1.00 0.00 H new ATOM 173 N ALA A 12 62.472 2.602 10.078 1.00 0.00 N ATOM 174 CA ALA A 12 62.302 3.862 10.853 1.00 0.00 C ATOM 175 C ALA A 12 61.609 4.905 9.976 1.00 0.00 C ATOM 176 O ALA A 12 60.848 5.724 10.451 1.00 0.00 O ATOM 177 CB ALA A 12 63.673 4.387 11.285 1.00 0.00 C ATOM 0 H ALA A 12 63.410 2.202 10.099 1.00 0.00 H new ATOM 0 HA ALA A 12 61.695 3.667 11.737 1.00 0.00 H new ATOM 0 HB1 ALA A 12 63.547 5.309 11.852 1.00 0.00 H new ATOM 0 HB2 ALA A 12 64.168 3.642 11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 12 64.282 4.584 10.403 1.00 0.00 H new ATOM 183 N CYS A 13 61.867 4.881 8.698 1.00 0.00 N ATOM 184 CA CYS A 13 61.226 5.867 7.788 1.00 0.00 C ATOM 185 C CYS A 13 60.616 5.131 6.593 1.00 0.00 C ATOM 186 O CYS A 13 60.281 5.728 5.588 1.00 0.00 O ATOM 187 CB CYS A 13 62.284 6.850 7.289 1.00 0.00 C ATOM 188 SG CYS A 13 63.362 7.322 8.666 1.00 0.00 S ATOM 0 H CYS A 13 62.496 4.218 8.245 1.00 0.00 H new ATOM 0 HA CYS A 13 60.444 6.407 8.322 1.00 0.00 H new ATOM 0 HB2 CYS A 13 62.872 6.395 6.492 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.805 7.734 6.868 1.00 0.00 H new ATOM 193 N HIS A 14 60.474 3.838 6.693 1.00 0.00 N ATOM 194 CA HIS A 14 59.890 3.064 5.563 1.00 0.00 C ATOM 195 C HIS A 14 58.726 2.213 6.072 1.00 0.00 C ATOM 196 O HIS A 14 58.350 2.286 7.225 1.00 0.00 O ATOM 197 CB HIS A 14 60.962 2.152 4.964 1.00 0.00 C ATOM 198 CG HIS A 14 61.770 2.922 3.957 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.474 2.900 2.603 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.866 3.738 4.089 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.374 3.682 1.979 1.00 0.00 C ATOM 202 NE2 HIS A 14 63.246 4.218 2.839 1.00 0.00 N ATOM 0 H HIS A 14 60.737 3.285 7.508 1.00 0.00 H new ATOM 0 HA HIS A 14 59.528 3.754 4.800 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.611 1.770 5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.496 1.289 4.489 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.713 2.385 2.160 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.359 3.972 5.021 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.390 3.855 0.913 1.00 0.00 H new ATOM 210 N ASP A 15 58.152 1.407 5.220 1.00 0.00 N ATOM 211 CA ASP A 15 57.012 0.549 5.651 1.00 0.00 C ATOM 212 C ASP A 15 56.261 0.044 4.416 1.00 0.00 C ATOM 213 O ASP A 15 55.987 0.789 3.498 1.00 0.00 O ATOM 214 CB ASP A 15 56.060 1.367 6.525 1.00 0.00 C ATOM 215 CG ASP A 15 56.080 0.819 7.953 1.00 0.00 C ATOM 216 OD1 ASP A 15 57.138 0.392 8.387 1.00 0.00 O ATOM 217 OD2 ASP A 15 55.039 0.833 8.587 1.00 0.00 O ATOM 0 H ASP A 15 58.424 1.306 4.242 1.00 0.00 H new ATOM 0 HA ASP A 15 57.390 -0.300 6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 15 56.357 2.416 6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 15 55.049 1.322 6.121 1.00 0.00 H new ATOM 222 N LEU A 16 55.928 -1.219 4.387 1.00 0.00 N ATOM 223 CA LEU A 16 55.196 -1.770 3.211 1.00 0.00 C ATOM 224 C LEU A 16 53.999 -0.881 2.885 1.00 0.00 C ATOM 225 O LEU A 16 53.887 -0.347 1.800 1.00 0.00 O ATOM 226 CB LEU A 16 54.692 -3.176 3.533 1.00 0.00 C ATOM 227 CG LEU A 16 55.776 -4.200 3.190 1.00 0.00 C ATOM 228 CD1 LEU A 16 57.034 -3.907 4.009 1.00 0.00 C ATOM 229 CD2 LEU A 16 55.271 -5.606 3.518 1.00 0.00 C ATOM 0 H LEU A 16 56.131 -1.892 5.126 1.00 0.00 H new ATOM 0 HA LEU A 16 55.873 -1.805 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.431 -3.247 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 16 53.785 -3.387 2.966 1.00 0.00 H new ATOM 0 HG LEU A 16 56.012 -4.136 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 16 57.806 -4.637 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 16 57.395 -2.905 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 16 56.799 -3.970 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 16 56.043 -6.336 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 16 55.035 -5.669 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 16 54.375 -5.816 2.934 1.00 0.00 H new ATOM 241 N LYS A 17 53.096 -0.725 3.812 1.00 0.00 N ATOM 242 CA LYS A 17 51.904 0.123 3.541 1.00 0.00 C ATOM 243 C LYS A 17 51.779 1.205 4.616 1.00 0.00 C ATOM 244 O LYS A 17 50.703 1.483 5.108 1.00 0.00 O ATOM 245 CB LYS A 17 50.645 -0.748 3.543 1.00 0.00 C ATOM 246 CG LYS A 17 49.491 0.023 2.897 1.00 0.00 C ATOM 247 CD LYS A 17 48.587 -0.950 2.136 1.00 0.00 C ATOM 248 CE LYS A 17 48.135 -2.067 3.077 1.00 0.00 C ATOM 249 NZ LYS A 17 48.562 -3.385 2.526 1.00 0.00 N ATOM 0 H LYS A 17 53.132 -1.146 4.741 1.00 0.00 H new ATOM 0 HA LYS A 17 52.017 0.598 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 17 50.829 -1.673 2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.384 -1.027 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 17 48.917 0.547 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 17 49.881 0.780 2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 17 47.720 -0.422 1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 17 49.123 -1.371 1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 17 48.565 -1.919 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 17 47.051 -2.043 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 48.255 -4.145 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 48.132 -3.526 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 49.598 -3.405 2.437 1.00 0.00 H new ATOM 263 N ALA A 18 52.870 1.821 4.983 1.00 0.00 N ATOM 264 CA ALA A 18 52.813 2.888 6.024 1.00 0.00 C ATOM 265 C ALA A 18 53.657 4.079 5.572 1.00 0.00 C ATOM 266 O ALA A 18 54.550 4.523 6.266 1.00 0.00 O ATOM 267 CB ALA A 18 53.363 2.347 7.343 1.00 0.00 C ATOM 0 H ALA A 18 53.799 1.632 4.607 1.00 0.00 H new ATOM 0 HA ALA A 18 51.779 3.203 6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 18 53.321 3.128 8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 18 52.764 1.495 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 18 54.397 2.032 7.204 1.00 0.00 H new ATOM 273 N LYS A 19 53.385 4.591 4.407 1.00 0.00 N ATOM 274 CA LYS A 19 54.169 5.748 3.892 1.00 0.00 C ATOM 275 C LYS A 19 54.155 6.890 4.912 1.00 0.00 C ATOM 276 O LYS A 19 53.124 7.463 5.206 1.00 0.00 O ATOM 277 CB LYS A 19 53.556 6.235 2.577 1.00 0.00 C ATOM 278 CG LYS A 19 52.059 6.485 2.770 1.00 0.00 C ATOM 279 CD LYS A 19 51.426 6.849 1.425 1.00 0.00 C ATOM 280 CE LYS A 19 49.902 6.842 1.555 1.00 0.00 C ATOM 281 NZ LYS A 19 49.306 6.153 0.374 1.00 0.00 N ATOM 0 H LYS A 19 52.649 4.257 3.785 1.00 0.00 H new ATOM 0 HA LYS A 19 55.199 5.432 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.049 7.151 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 19 53.713 5.493 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 19 51.581 5.596 3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 19 51.903 7.291 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 19 51.769 7.833 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 19 51.739 6.138 0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 49.607 6.334 2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 19 49.527 7.863 1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 48.270 6.148 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 49.578 6.656 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 49.655 5.174 0.331 1.00 0.00 H new ATOM 295 N LYS A 20 55.297 7.233 5.444 1.00 0.00 N ATOM 296 CA LYS A 20 55.363 8.346 6.433 1.00 0.00 C ATOM 297 C LYS A 20 56.498 9.293 6.034 1.00 0.00 C ATOM 298 O LYS A 20 56.326 10.159 5.199 1.00 0.00 O ATOM 299 CB LYS A 20 55.625 7.779 7.830 1.00 0.00 C ATOM 300 CG LYS A 20 55.922 8.924 8.800 1.00 0.00 C ATOM 301 CD LYS A 20 55.354 8.586 10.180 1.00 0.00 C ATOM 302 CE LYS A 20 53.845 8.837 10.189 1.00 0.00 C ATOM 303 NZ LYS A 20 53.251 8.255 11.426 1.00 0.00 N ATOM 0 H LYS A 20 56.191 6.788 5.235 1.00 0.00 H new ATOM 0 HA LYS A 20 54.418 8.889 6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 20 54.758 7.214 8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 20 56.466 7.086 7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 20 56.998 9.087 8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 20 55.482 9.850 8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 20 55.561 7.544 10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 20 55.839 9.195 10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 20 53.643 9.907 10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 20 53.386 8.390 9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 52.225 8.426 11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 53.432 7.231 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 53.681 8.702 12.261 1.00 0.00 H new ATOM 317 N VAL A 21 57.661 9.129 6.604 1.00 0.00 N ATOM 318 CA VAL A 21 58.796 10.016 6.229 1.00 0.00 C ATOM 319 C VAL A 21 59.354 9.555 4.883 1.00 0.00 C ATOM 320 O VAL A 21 59.553 10.339 3.977 1.00 0.00 O ATOM 321 CB VAL A 21 59.893 9.932 7.294 1.00 0.00 C ATOM 322 CG1 VAL A 21 61.163 10.606 6.772 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.425 10.645 8.563 1.00 0.00 C ATOM 0 H VAL A 21 57.872 8.423 7.309 1.00 0.00 H new ATOM 0 HA VAL A 21 58.451 11.047 6.157 1.00 0.00 H new ATOM 0 HB VAL A 21 60.102 8.886 7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.944 10.547 7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.497 10.101 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.954 11.652 6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 21 60.205 10.586 9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 21 59.217 11.691 8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.519 10.167 8.936 1.00 0.00 H new ATOM 333 N GLY A 22 59.596 8.280 4.746 1.00 0.00 N ATOM 334 CA GLY A 22 60.130 7.754 3.459 1.00 0.00 C ATOM 335 C GLY A 22 58.997 7.067 2.691 1.00 0.00 C ATOM 336 O GLY A 22 57.903 6.927 3.200 1.00 0.00 O ATOM 0 H GLY A 22 59.446 7.579 5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 22 60.548 8.567 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 22 60.939 7.048 3.648 1.00 0.00 H new ATOM 340 N PRO A 23 59.296 6.658 1.485 1.00 0.00 N ATOM 341 CA PRO A 23 58.321 5.979 0.614 1.00 0.00 C ATOM 342 C PRO A 23 58.157 4.515 1.035 1.00 0.00 C ATOM 343 O PRO A 23 59.122 3.810 1.248 1.00 0.00 O ATOM 344 CB PRO A 23 58.951 6.081 -0.778 1.00 0.00 C ATOM 345 CG PRO A 23 60.467 6.297 -0.555 1.00 0.00 C ATOM 346 CD PRO A 23 60.630 6.835 0.879 1.00 0.00 C ATOM 0 HA PRO A 23 57.325 6.420 0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 23 58.768 5.174 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 23 58.519 6.909 -1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.014 5.363 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 23 60.868 7.003 -1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 23 61.393 6.283 1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 23 60.932 7.882 0.880 1.00 0.00 H new ATOM 354 N ALA A 24 56.942 4.056 1.158 1.00 0.00 N ATOM 355 CA ALA A 24 56.721 2.641 1.566 1.00 0.00 C ATOM 356 C ALA A 24 57.572 1.720 0.691 1.00 0.00 C ATOM 357 O ALA A 24 57.940 2.063 -0.415 1.00 0.00 O ATOM 358 CB ALA A 24 55.244 2.280 1.399 1.00 0.00 C ATOM 0 H ALA A 24 56.094 4.599 0.994 1.00 0.00 H new ATOM 0 HA ALA A 24 57.006 2.519 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.087 1.244 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 24 54.637 2.935 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 24 54.955 2.404 0.355 1.00 0.00 H new ATOM 364 N TYR A 25 57.888 0.553 1.179 1.00 0.00 N ATOM 365 CA TYR A 25 58.716 -0.391 0.382 1.00 0.00 C ATOM 366 C TYR A 25 57.904 -0.908 -0.807 1.00 0.00 C ATOM 367 O TYR A 25 58.434 -1.163 -1.870 1.00 0.00 O ATOM 368 CB TYR A 25 59.126 -1.568 1.267 1.00 0.00 C ATOM 369 CG TYR A 25 60.370 -1.203 2.039 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.476 -0.668 1.370 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.417 -1.397 3.425 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.629 -0.326 2.085 1.00 0.00 C ATOM 373 CE2 TYR A 25 61.570 -1.056 4.140 1.00 0.00 C ATOM 374 CZ TYR A 25 62.677 -0.520 3.470 1.00 0.00 C ATOM 375 OH TYR A 25 63.814 -0.183 4.175 1.00 0.00 O ATOM 0 H TYR A 25 57.607 0.212 2.098 1.00 0.00 H new ATOM 0 HA TYR A 25 59.605 0.122 0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.318 -1.819 1.954 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.310 -2.451 0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 25 61.440 -0.519 0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 25 59.563 -1.810 3.942 1.00 0.00 H new ATOM 0 HE1 TYR A 25 63.482 0.088 1.568 1.00 0.00 H new ATOM 0 HE2 TYR A 25 61.607 -1.206 5.209 1.00 0.00 H new ATOM 0 HH TYR A 25 63.597 0.507 4.836 1.00 0.00 H new ATOM 385 N ALA A 26 56.621 -1.070 -0.635 1.00 0.00 N ATOM 386 CA ALA A 26 55.779 -1.575 -1.755 1.00 0.00 C ATOM 387 C ALA A 26 55.834 -0.591 -2.925 1.00 0.00 C ATOM 388 O ALA A 26 55.888 -0.981 -4.076 1.00 0.00 O ATOM 389 CB ALA A 26 54.332 -1.717 -1.279 1.00 0.00 C ATOM 0 H ALA A 26 56.120 -0.875 0.232 1.00 0.00 H new ATOM 0 HA ALA A 26 56.155 -2.545 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.714 -2.087 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.290 -2.420 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 26 53.959 -0.746 -0.953 1.00 0.00 H new ATOM 395 N ASP A 27 55.817 0.682 -2.643 1.00 0.00 N ATOM 396 CA ASP A 27 55.864 1.691 -3.737 1.00 0.00 C ATOM 397 C ASP A 27 57.243 1.671 -4.401 1.00 0.00 C ATOM 398 O ASP A 27 57.382 1.967 -5.570 1.00 0.00 O ATOM 399 CB ASP A 27 55.596 3.078 -3.154 1.00 0.00 C ATOM 400 CG ASP A 27 54.087 3.297 -3.023 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.514 2.787 -2.074 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.530 3.969 -3.875 1.00 0.00 O ATOM 0 H ASP A 27 55.772 1.068 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 27 55.105 1.454 -4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.073 3.172 -2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.030 3.844 -3.797 1.00 0.00 H new ATOM 407 N VAL A 28 58.263 1.329 -3.665 1.00 0.00 N ATOM 408 CA VAL A 28 59.628 1.296 -4.253 1.00 0.00 C ATOM 409 C VAL A 28 59.740 0.119 -5.226 1.00 0.00 C ATOM 410 O VAL A 28 59.989 0.294 -6.402 1.00 0.00 O ATOM 411 CB VAL A 28 60.662 1.135 -3.137 1.00 0.00 C ATOM 412 CG1 VAL A 28 62.024 0.793 -3.744 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.770 2.444 -2.352 1.00 0.00 C ATOM 0 H VAL A 28 58.209 1.071 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 28 59.813 2.227 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 28 60.351 0.332 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.759 0.679 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.949 -0.139 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.336 1.595 -4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.506 2.331 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 28 61.080 3.246 -3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.801 2.689 -1.917 1.00 0.00 H new ATOM 423 N ALA A 29 59.565 -1.079 -4.741 1.00 0.00 N ATOM 424 CA ALA A 29 59.667 -2.268 -5.634 1.00 0.00 C ATOM 425 C ALA A 29 58.838 -2.037 -6.898 1.00 0.00 C ATOM 426 O ALA A 29 59.263 -2.342 -7.994 1.00 0.00 O ATOM 427 CB ALA A 29 59.142 -3.505 -4.900 1.00 0.00 C ATOM 0 H ALA A 29 59.356 -1.286 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 29 60.710 -2.422 -5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 29 59.217 -4.375 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.735 -3.674 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 29 58.100 -3.348 -4.622 1.00 0.00 H new ATOM 433 N LYS A 30 57.658 -1.500 -6.756 1.00 0.00 N ATOM 434 CA LYS A 30 56.804 -1.253 -7.950 1.00 0.00 C ATOM 435 C LYS A 30 57.440 -0.165 -8.818 1.00 0.00 C ATOM 436 O LYS A 30 57.382 -0.211 -10.030 1.00 0.00 O ATOM 437 CB LYS A 30 55.416 -0.799 -7.498 1.00 0.00 C ATOM 438 CG LYS A 30 54.388 -1.878 -7.840 1.00 0.00 C ATOM 439 CD LYS A 30 53.790 -1.593 -9.218 1.00 0.00 C ATOM 440 CE LYS A 30 54.162 -2.722 -10.180 1.00 0.00 C ATOM 441 NZ LYS A 30 54.454 -2.151 -11.525 1.00 0.00 N ATOM 0 H LYS A 30 57.249 -1.222 -5.864 1.00 0.00 H new ATOM 0 HA LYS A 30 56.715 -2.172 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.416 -0.609 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.151 0.138 -7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 30 54.860 -2.861 -7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 30 53.600 -1.897 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 30 52.706 -1.506 -9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 30 54.161 -0.641 -9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 30 55.032 -3.262 -9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 30 53.345 -3.441 -10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 54.707 -2.918 -12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 53.613 -1.655 -11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 55.246 -1.481 -11.453 1.00 0.00 H new ATOM 455 N LYS A 31 58.045 0.816 -8.206 1.00 0.00 N ATOM 456 CA LYS A 31 58.680 1.906 -8.992 1.00 0.00 C ATOM 457 C LYS A 31 59.973 1.395 -9.628 1.00 0.00 C ATOM 458 O LYS A 31 60.575 2.058 -10.450 1.00 0.00 O ATOM 459 CB LYS A 31 58.999 3.082 -8.066 1.00 0.00 C ATOM 460 CG LYS A 31 58.491 4.381 -8.695 1.00 0.00 C ATOM 461 CD LYS A 31 59.643 5.084 -9.418 1.00 0.00 C ATOM 462 CE LYS A 31 59.261 6.539 -9.694 1.00 0.00 C ATOM 463 NZ LYS A 31 60.446 7.415 -9.468 1.00 0.00 N ATOM 0 H LYS A 31 58.126 0.908 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 31 57.996 2.232 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.531 2.930 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 31 60.074 3.144 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 31 57.685 4.167 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 31 58.079 5.033 -7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 31 60.547 5.043 -8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 31 59.865 4.572 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 31 58.907 6.645 -10.720 1.00 0.00 H new ATOM 0 HE3 LYS A 31 58.442 6.841 -9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 60.187 8.405 -9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 60.764 7.321 -8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 61.215 7.131 -10.108 1.00 0.00 H new ATOM 477 N TYR A 32 60.411 0.225 -9.253 1.00 0.00 N ATOM 478 CA TYR A 32 61.672 -0.319 -9.833 1.00 0.00 C ATOM 479 C TYR A 32 61.425 -1.724 -10.388 1.00 0.00 C ATOM 480 O TYR A 32 62.336 -2.395 -10.829 1.00 0.00 O ATOM 481 CB TYR A 32 62.739 -0.384 -8.743 1.00 0.00 C ATOM 482 CG TYR A 32 63.264 1.005 -8.472 1.00 0.00 C ATOM 483 CD1 TYR A 32 63.974 1.690 -9.465 1.00 0.00 C ATOM 484 CD2 TYR A 32 63.038 1.612 -7.230 1.00 0.00 C ATOM 485 CE1 TYR A 32 64.459 2.979 -9.217 1.00 0.00 C ATOM 486 CE2 TYR A 32 63.523 2.901 -6.982 1.00 0.00 C ATOM 487 CZ TYR A 32 64.233 3.585 -7.975 1.00 0.00 C ATOM 488 OH TYR A 32 64.711 4.857 -7.731 1.00 0.00 O ATOM 0 H TYR A 32 59.951 -0.378 -8.571 1.00 0.00 H new ATOM 0 HA TYR A 32 62.008 0.331 -10.641 1.00 0.00 H new ATOM 0 HB2 TYR A 32 62.319 -0.810 -7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 32 63.553 -1.038 -9.054 1.00 0.00 H new ATOM 0 HD1 TYR A 32 64.148 1.223 -10.423 1.00 0.00 H new ATOM 0 HD2 TYR A 32 62.489 1.085 -6.464 1.00 0.00 H new ATOM 0 HE1 TYR A 32 65.008 3.506 -9.983 1.00 0.00 H new ATOM 0 HE2 TYR A 32 63.349 3.368 -6.024 1.00 0.00 H new ATOM 0 HH TYR A 32 64.739 5.362 -8.570 1.00 0.00 H new ATOM 498 N ALA A 33 60.202 -2.174 -10.367 1.00 0.00 N ATOM 499 CA ALA A 33 59.900 -3.535 -10.892 1.00 0.00 C ATOM 500 C ALA A 33 60.217 -3.588 -12.389 1.00 0.00 C ATOM 501 O ALA A 33 60.535 -4.629 -12.929 1.00 0.00 O ATOM 502 CB ALA A 33 58.419 -3.849 -10.675 1.00 0.00 C ATOM 0 H ALA A 33 59.398 -1.658 -10.009 1.00 0.00 H new ATOM 0 HA ALA A 33 60.509 -4.269 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 33 58.198 -4.845 -11.059 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.192 -3.812 -9.610 1.00 0.00 H new ATOM 0 HB3 ALA A 33 57.810 -3.114 -11.201 1.00 0.00 H new ATOM 508 N GLY A 34 60.134 -2.475 -13.064 1.00 0.00 N ATOM 509 CA GLY A 34 60.430 -2.466 -14.526 1.00 0.00 C ATOM 510 C GLY A 34 61.923 -2.215 -14.744 1.00 0.00 C ATOM 511 O GLY A 34 62.345 -1.821 -15.813 1.00 0.00 O ATOM 0 H GLY A 34 59.874 -1.572 -12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.142 -3.418 -14.972 1.00 0.00 H new ATOM 0 HA3 GLY A 34 59.844 -1.692 -15.021 1.00 0.00 H new ATOM 515 N ARG A 35 62.725 -2.442 -13.741 1.00 0.00 N ATOM 516 CA ARG A 35 64.187 -2.218 -13.889 1.00 0.00 C ATOM 517 C ARG A 35 64.900 -3.567 -14.004 1.00 0.00 C ATOM 518 O ARG A 35 64.516 -4.538 -13.382 1.00 0.00 O ATOM 519 CB ARG A 35 64.711 -1.467 -12.665 1.00 0.00 C ATOM 520 CG ARG A 35 66.121 -0.955 -12.953 1.00 0.00 C ATOM 521 CD ARG A 35 66.038 0.322 -13.788 1.00 0.00 C ATOM 522 NE ARG A 35 67.364 0.601 -14.407 1.00 0.00 N ATOM 523 CZ ARG A 35 67.454 1.417 -15.422 1.00 0.00 C ATOM 524 NH1 ARG A 35 66.383 1.993 -15.899 1.00 0.00 N ATOM 525 NH2 ARG A 35 68.618 1.663 -15.959 1.00 0.00 N ATOM 0 H ARG A 35 62.428 -2.774 -12.823 1.00 0.00 H new ATOM 0 HA ARG A 35 64.377 -1.629 -14.787 1.00 0.00 H new ATOM 0 HB2 ARG A 35 64.051 -0.633 -12.425 1.00 0.00 H new ATOM 0 HB3 ARG A 35 64.721 -2.126 -11.797 1.00 0.00 H new ATOM 0 HG2 ARG A 35 66.646 -0.758 -12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 35 66.693 -1.714 -13.486 1.00 0.00 H new ATOM 0 HD2 ARG A 35 65.279 0.213 -14.563 1.00 0.00 H new ATOM 0 HD3 ARG A 35 65.735 1.160 -13.160 1.00 0.00 H new ATOM 0 HE ARG A 35 68.203 0.154 -14.037 1.00 0.00 H new ATOM 0 HH11 ARG A 35 65.473 1.806 -15.478 1.00 0.00 H new ATOM 0 HH12 ARG A 35 66.457 2.630 -16.692 1.00 0.00 H new ATOM 0 HH21 ARG A 35 69.456 1.218 -15.586 1.00 0.00 H new ATOM 0 HH22 ARG A 35 68.689 2.300 -16.752 1.00 0.00 H new ATOM 539 N LYS A 36 65.934 -3.636 -14.794 1.00 0.00 N ATOM 540 CA LYS A 36 66.671 -4.921 -14.948 1.00 0.00 C ATOM 541 C LYS A 36 67.637 -5.100 -13.775 1.00 0.00 C ATOM 542 O LYS A 36 67.861 -6.198 -13.305 1.00 0.00 O ATOM 543 CB LYS A 36 67.462 -4.901 -16.258 1.00 0.00 C ATOM 544 CG LYS A 36 66.694 -5.672 -17.335 1.00 0.00 C ATOM 545 CD LYS A 36 66.844 -7.175 -17.093 1.00 0.00 C ATOM 546 CE LYS A 36 67.755 -7.777 -18.164 1.00 0.00 C ATOM 547 NZ LYS A 36 67.065 -8.930 -18.810 1.00 0.00 N ATOM 0 H LYS A 36 66.301 -2.857 -15.341 1.00 0.00 H new ATOM 0 HA LYS A 36 65.960 -5.747 -14.963 1.00 0.00 H new ATOM 0 HB2 LYS A 36 67.625 -3.873 -16.580 1.00 0.00 H new ATOM 0 HB3 LYS A 36 68.445 -5.348 -16.108 1.00 0.00 H new ATOM 0 HG2 LYS A 36 65.640 -5.393 -17.315 1.00 0.00 H new ATOM 0 HG3 LYS A 36 67.074 -5.413 -18.323 1.00 0.00 H new ATOM 0 HD2 LYS A 36 67.262 -7.354 -16.102 1.00 0.00 H new ATOM 0 HD3 LYS A 36 65.867 -7.657 -17.119 1.00 0.00 H new ATOM 0 HE2 LYS A 36 68.004 -7.023 -18.911 1.00 0.00 H new ATOM 0 HE3 LYS A 36 68.693 -8.105 -17.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 67.683 -9.341 -19.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 66.849 -9.651 -18.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 66.181 -8.603 -19.250 1.00 0.00 H new ATOM 561 N ASP A 37 68.213 -4.030 -13.299 1.00 0.00 N ATOM 562 CA ASP A 37 69.167 -4.142 -12.160 1.00 0.00 C ATOM 563 C ASP A 37 68.733 -3.208 -11.029 1.00 0.00 C ATOM 564 O ASP A 37 69.470 -2.334 -10.616 1.00 0.00 O ATOM 565 CB ASP A 37 70.569 -3.753 -12.630 1.00 0.00 C ATOM 566 CG ASP A 37 71.507 -4.952 -12.483 1.00 0.00 C ATOM 567 OD1 ASP A 37 72.096 -5.093 -11.423 1.00 0.00 O ATOM 568 OD2 ASP A 37 71.622 -5.709 -13.432 1.00 0.00 O ATOM 0 H ASP A 37 68.064 -3.084 -13.650 1.00 0.00 H new ATOM 0 HA ASP A 37 69.175 -5.170 -11.797 1.00 0.00 H new ATOM 0 HB2 ASP A 37 70.538 -3.427 -13.670 1.00 0.00 H new ATOM 0 HB3 ASP A 37 70.941 -2.913 -12.043 1.00 0.00 H new ATOM 573 N ALA A 38 67.543 -3.385 -10.523 1.00 0.00 N ATOM 574 CA ALA A 38 67.067 -2.507 -9.416 1.00 0.00 C ATOM 575 C ALA A 38 67.790 -2.883 -8.121 1.00 0.00 C ATOM 576 O ALA A 38 67.784 -2.144 -7.156 1.00 0.00 O ATOM 577 CB ALA A 38 65.560 -2.692 -9.232 1.00 0.00 C ATOM 0 H ALA A 38 66.881 -4.098 -10.828 1.00 0.00 H new ATOM 0 HA ALA A 38 67.278 -1.466 -9.660 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.211 -2.051 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 38 65.045 -2.425 -10.155 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.348 -3.733 -8.987 1.00 0.00 H new ATOM 583 N VAL A 39 68.412 -4.030 -8.092 1.00 0.00 N ATOM 584 CA VAL A 39 69.134 -4.458 -6.860 1.00 0.00 C ATOM 585 C VAL A 39 70.441 -3.673 -6.727 1.00 0.00 C ATOM 586 O VAL A 39 70.675 -3.004 -5.740 1.00 0.00 O ATOM 587 CB VAL A 39 69.445 -5.954 -6.947 1.00 0.00 C ATOM 588 CG1 VAL A 39 70.089 -6.419 -5.640 1.00 0.00 C ATOM 589 CG2 VAL A 39 68.147 -6.730 -7.178 1.00 0.00 C ATOM 0 H VAL A 39 68.451 -4.690 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 39 68.508 -4.264 -5.989 1.00 0.00 H new ATOM 0 HB VAL A 39 70.131 -6.135 -7.774 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.310 -7.484 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 39 71.013 -5.866 -5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 39 69.403 -6.239 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 39 68.366 -7.796 -7.240 1.00 0.00 H new ATOM 0 HG22 VAL A 39 67.462 -6.548 -6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 39 67.686 -6.399 -8.109 1.00 0.00 H new ATOM 599 N ASP A 40 71.295 -3.745 -7.711 1.00 0.00 N ATOM 600 CA ASP A 40 72.583 -2.999 -7.634 1.00 0.00 C ATOM 601 C ASP A 40 72.295 -1.497 -7.590 1.00 0.00 C ATOM 602 O ASP A 40 72.886 -0.762 -6.825 1.00 0.00 O ATOM 603 CB ASP A 40 73.435 -3.319 -8.863 1.00 0.00 C ATOM 604 CG ASP A 40 74.886 -2.910 -8.600 1.00 0.00 C ATOM 605 OD1 ASP A 40 75.094 -1.795 -8.151 1.00 0.00 O ATOM 606 OD2 ASP A 40 75.764 -3.719 -8.852 1.00 0.00 O ATOM 0 H ASP A 40 71.157 -4.287 -8.564 1.00 0.00 H new ATOM 0 HA ASP A 40 73.122 -3.295 -6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 40 73.382 -4.384 -9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.049 -2.789 -9.734 1.00 0.00 H new ATOM 611 N TYR A 41 71.390 -1.039 -8.410 1.00 0.00 N ATOM 612 CA TYR A 41 71.060 0.413 -8.424 1.00 0.00 C ATOM 613 C TYR A 41 70.617 0.856 -7.027 1.00 0.00 C ATOM 614 O TYR A 41 71.153 1.788 -6.461 1.00 0.00 O ATOM 615 CB TYR A 41 69.924 0.662 -9.419 1.00 0.00 C ATOM 616 CG TYR A 41 69.757 2.146 -9.631 1.00 0.00 C ATOM 617 CD1 TYR A 41 70.840 2.918 -10.064 1.00 0.00 C ATOM 618 CD2 TYR A 41 68.516 2.751 -9.396 1.00 0.00 C ATOM 619 CE1 TYR A 41 70.686 4.295 -10.263 1.00 0.00 C ATOM 620 CE2 TYR A 41 68.360 4.128 -9.595 1.00 0.00 C ATOM 621 CZ TYR A 41 69.444 4.900 -10.029 1.00 0.00 C ATOM 622 OH TYR A 41 69.291 6.257 -10.225 1.00 0.00 O ATOM 0 H TYR A 41 70.864 -1.609 -9.072 1.00 0.00 H new ATOM 0 HA TYR A 41 71.941 0.982 -8.720 1.00 0.00 H new ATOM 0 HB2 TYR A 41 70.143 0.171 -10.367 1.00 0.00 H new ATOM 0 HB3 TYR A 41 68.996 0.231 -9.043 1.00 0.00 H new ATOM 0 HD1 TYR A 41 71.797 2.451 -10.245 1.00 0.00 H new ATOM 0 HD2 TYR A 41 67.680 2.155 -9.061 1.00 0.00 H new ATOM 0 HE1 TYR A 41 71.523 4.890 -10.596 1.00 0.00 H new ATOM 0 HE2 TYR A 41 67.403 4.595 -9.414 1.00 0.00 H new ATOM 0 HH TYR A 41 68.368 6.515 -10.019 1.00 0.00 H new ATOM 632 N LEU A 42 69.637 0.198 -6.470 1.00 0.00 N ATOM 633 CA LEU A 42 69.150 0.581 -5.115 1.00 0.00 C ATOM 634 C LEU A 42 70.297 0.512 -4.107 1.00 0.00 C ATOM 635 O LEU A 42 70.698 1.508 -3.538 1.00 0.00 O ATOM 636 CB LEU A 42 68.038 -0.379 -4.684 1.00 0.00 C ATOM 637 CG LEU A 42 66.709 0.079 -5.284 1.00 0.00 C ATOM 638 CD1 LEU A 42 65.788 -1.131 -5.466 1.00 0.00 C ATOM 639 CD2 LEU A 42 66.046 1.085 -4.341 1.00 0.00 C ATOM 0 H LEU A 42 69.151 -0.591 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 42 68.765 1.600 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.269 -1.392 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.968 -0.407 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 42 66.888 0.549 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.840 -0.805 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.260 -1.850 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.608 -1.600 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 42 65.098 1.413 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 42 65.866 0.614 -3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.701 1.946 -4.208 1.00 0.00 H new ATOM 651 N ALA A 43 70.817 -0.661 -3.877 1.00 0.00 N ATOM 652 CA ALA A 43 71.935 -0.816 -2.900 1.00 0.00 C ATOM 653 C ALA A 43 72.914 0.352 -3.035 1.00 0.00 C ATOM 654 O ALA A 43 73.397 0.885 -2.056 1.00 0.00 O ATOM 655 CB ALA A 43 72.670 -2.128 -3.174 1.00 0.00 C ATOM 0 H ALA A 43 70.515 -1.526 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 43 71.527 -0.826 -1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.487 -2.243 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 43 71.977 -2.962 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 43 73.071 -2.115 -4.187 1.00 0.00 H new ATOM 661 N GLY A 44 73.212 0.755 -4.239 1.00 0.00 N ATOM 662 CA GLY A 44 74.161 1.888 -4.429 1.00 0.00 C ATOM 663 C GLY A 44 73.622 3.132 -3.718 1.00 0.00 C ATOM 664 O GLY A 44 74.300 3.744 -2.919 1.00 0.00 O ATOM 0 H GLY A 44 72.840 0.350 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 44 75.141 1.625 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 44 74.292 2.092 -5.492 1.00 0.00 H new ATOM 668 N LYS A 45 72.406 3.511 -4.006 1.00 0.00 N ATOM 669 CA LYS A 45 71.825 4.716 -3.350 1.00 0.00 C ATOM 670 C LYS A 45 71.469 4.392 -1.897 1.00 0.00 C ATOM 671 O LYS A 45 71.071 5.256 -1.140 1.00 0.00 O ATOM 672 CB LYS A 45 70.562 5.145 -4.100 1.00 0.00 C ATOM 673 CG LYS A 45 70.953 5.740 -5.454 1.00 0.00 C ATOM 674 CD LYS A 45 69.709 6.308 -6.140 1.00 0.00 C ATOM 675 CE LYS A 45 69.109 5.249 -7.066 1.00 0.00 C ATOM 676 NZ LYS A 45 68.136 4.416 -6.306 1.00 0.00 N ATOM 0 H LYS A 45 71.790 3.038 -4.667 1.00 0.00 H new ATOM 0 HA LYS A 45 72.555 5.525 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 45 69.902 4.289 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 45 70.009 5.879 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.696 6.525 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 45 71.410 4.975 -6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 45 68.975 6.611 -5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 45 69.970 7.199 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 45 68.612 5.728 -7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 45 69.899 4.620 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 67.472 3.967 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 68.647 3.681 -5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 67.608 5.018 -5.642 1.00 0.00 H new ATOM 690 N ILE A 46 71.607 3.157 -1.500 1.00 0.00 N ATOM 691 CA ILE A 46 71.274 2.788 -0.094 1.00 0.00 C ATOM 692 C ILE A 46 72.472 3.096 0.810 1.00 0.00 C ATOM 693 O ILE A 46 72.317 3.516 1.940 1.00 0.00 O ATOM 694 CB ILE A 46 70.941 1.295 -0.023 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.534 1.062 -0.579 1.00 0.00 C ATOM 696 CG2 ILE A 46 70.995 0.818 1.430 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.254 -0.440 -0.644 1.00 0.00 C ATOM 0 H ILE A 46 71.935 2.389 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 46 70.412 3.364 0.241 1.00 0.00 H new ATOM 0 HB ILE A 46 71.669 0.737 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.795 1.553 0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.446 1.502 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.757 -0.245 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 46 71.996 0.982 1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 46 70.271 1.376 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.252 -0.607 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 46 69.986 -0.919 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.324 -0.867 0.356 1.00 0.00 H new ATOM 709 N LYS A 47 73.665 2.888 0.325 1.00 0.00 N ATOM 710 CA LYS A 47 74.868 3.165 1.159 1.00 0.00 C ATOM 711 C LYS A 47 75.113 4.676 1.216 1.00 0.00 C ATOM 712 O LYS A 47 75.356 5.235 2.267 1.00 0.00 O ATOM 713 CB LYS A 47 76.086 2.471 0.545 1.00 0.00 C ATOM 714 CG LYS A 47 75.846 0.960 0.507 1.00 0.00 C ATOM 715 CD LYS A 47 76.890 0.299 -0.397 1.00 0.00 C ATOM 716 CE LYS A 47 77.879 -0.495 0.459 1.00 0.00 C ATOM 717 NZ LYS A 47 79.148 0.273 0.593 1.00 0.00 N ATOM 0 H LYS A 47 73.859 2.538 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 47 74.706 2.786 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 47 76.263 2.847 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.978 2.694 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 47 75.907 0.546 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 47 74.843 0.750 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 47 76.401 -0.362 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 47 77.419 1.057 -0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 47 77.452 -0.687 1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.075 -1.465 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.820 -0.266 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 79.557 0.434 -0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 78.954 1.188 1.047 1.00 0.00 H new ATOM 731 N LYS A 48 75.052 5.340 0.095 1.00 0.00 N ATOM 732 CA LYS A 48 75.280 6.812 0.089 1.00 0.00 C ATOM 733 C LYS A 48 74.053 7.521 0.663 1.00 0.00 C ATOM 734 O LYS A 48 74.154 8.323 1.571 1.00 0.00 O ATOM 735 CB LYS A 48 75.517 7.284 -1.347 1.00 0.00 C ATOM 736 CG LYS A 48 76.829 8.069 -1.420 1.00 0.00 C ATOM 737 CD LYS A 48 76.529 9.568 -1.389 1.00 0.00 C ATOM 738 CE LYS A 48 77.582 10.315 -2.207 1.00 0.00 C ATOM 739 NZ LYS A 48 77.097 11.694 -2.501 1.00 0.00 N ATOM 0 H LYS A 48 74.854 4.927 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 48 76.153 7.047 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 48 75.556 6.428 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.688 7.910 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.474 7.799 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 48 77.367 7.814 -2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.535 9.759 -1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.529 9.929 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 48 78.522 10.358 -1.657 1.00 0.00 H new ATOM 0 HE3 LYS A 48 77.781 9.782 -3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 77.813 12.203 -3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 76.210 11.642 -3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 76.928 12.200 -1.608 1.00 0.00 H new ATOM 753 N GLY A 49 72.891 7.232 0.143 1.00 0.00 N ATOM 754 CA GLY A 49 71.657 7.889 0.661 1.00 0.00 C ATOM 755 C GLY A 49 70.717 8.200 -0.504 1.00 0.00 C ATOM 756 O GLY A 49 70.791 7.592 -1.554 1.00 0.00 O ATOM 0 H GLY A 49 72.743 6.569 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.160 7.237 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 49 71.915 8.807 1.189 1.00 0.00 H new ATOM 760 N GLY A 50 69.831 9.143 -0.331 1.00 0.00 N ATOM 761 CA GLY A 50 68.887 9.492 -1.430 1.00 0.00 C ATOM 762 C GLY A 50 68.614 10.997 -1.409 1.00 0.00 C ATOM 763 O GLY A 50 68.875 11.670 -0.431 1.00 0.00 O ATOM 0 H GLY A 50 69.720 9.687 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 50 69.309 9.202 -2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.954 8.941 -1.311 1.00 0.00 H new ATOM 767 N SER A 51 68.090 11.533 -2.479 1.00 0.00 N ATOM 768 CA SER A 51 67.805 12.994 -2.515 1.00 0.00 C ATOM 769 C SER A 51 67.247 13.378 -3.889 1.00 0.00 C ATOM 770 O SER A 51 67.970 13.813 -4.763 1.00 0.00 O ATOM 771 CB SER A 51 69.098 13.771 -2.258 1.00 0.00 C ATOM 772 OG SER A 51 68.793 15.036 -1.677 1.00 0.00 O ATOM 0 H SER A 51 67.848 11.022 -3.328 1.00 0.00 H new ATOM 0 HA SER A 51 67.072 13.237 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 51 69.749 13.203 -1.593 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.641 13.911 -3.193 1.00 0.00 H new ATOM 0 HG SER A 51 69.624 15.529 -1.513 1.00 0.00 H new ATOM 778 N GLY A 52 65.966 13.220 -4.087 1.00 0.00 N ATOM 779 CA GLY A 52 65.365 13.576 -5.404 1.00 0.00 C ATOM 780 C GLY A 52 64.696 12.340 -6.006 1.00 0.00 C ATOM 781 O GLY A 52 63.885 12.436 -6.906 1.00 0.00 O ATOM 0 H GLY A 52 65.310 12.860 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 52 64.634 14.375 -5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.135 13.951 -6.078 1.00 0.00 H new ATOM 785 N VAL A 53 65.030 11.180 -5.515 1.00 0.00 N ATOM 786 CA VAL A 53 64.417 9.935 -6.057 1.00 0.00 C ATOM 787 C VAL A 53 63.029 9.741 -5.444 1.00 0.00 C ATOM 788 O VAL A 53 62.187 9.057 -5.995 1.00 0.00 O ATOM 789 CB VAL A 53 65.307 8.743 -5.704 1.00 0.00 C ATOM 790 CG1 VAL A 53 64.702 7.463 -6.280 1.00 0.00 C ATOM 791 CG2 VAL A 53 66.701 8.956 -6.299 1.00 0.00 C ATOM 0 H VAL A 53 65.702 11.040 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 53 64.323 10.012 -7.140 1.00 0.00 H new ATOM 0 HB VAL A 53 65.380 8.654 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 53 65.338 6.614 -6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 53 63.708 7.309 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 53 64.628 7.551 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 53 67.337 8.107 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 53 66.624 9.045 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 53 67.136 9.868 -5.890 1.00 0.00 H new ATOM 801 N TRP A 54 62.780 10.335 -4.309 1.00 0.00 N ATOM 802 CA TRP A 54 61.445 10.182 -3.665 1.00 0.00 C ATOM 803 C TRP A 54 61.063 11.486 -2.965 1.00 0.00 C ATOM 804 O TRP A 54 60.446 11.482 -1.917 1.00 0.00 O ATOM 805 CB TRP A 54 61.499 9.050 -2.638 1.00 0.00 C ATOM 806 CG TRP A 54 61.605 7.737 -3.347 1.00 0.00 C ATOM 807 CD1 TRP A 54 62.762 7.089 -3.608 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.537 6.904 -3.883 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.473 5.910 -4.271 1.00 0.00 N ATOM 810 CE2 TRP A 54 61.115 5.750 -4.464 1.00 0.00 C ATOM 811 CE3 TRP A 54 59.137 7.036 -3.922 1.00 0.00 C ATOM 812 CZ2 TRP A 54 60.332 4.763 -5.062 1.00 0.00 C ATOM 813 CZ3 TRP A 54 58.346 6.043 -4.524 1.00 0.00 C ATOM 814 CH2 TRP A 54 58.943 4.909 -5.093 1.00 0.00 C ATOM 0 H TRP A 54 63.443 10.919 -3.800 1.00 0.00 H new ATOM 0 HA TRP A 54 60.701 9.947 -4.426 1.00 0.00 H new ATOM 0 HB2 TRP A 54 62.353 9.187 -1.975 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.605 9.067 -2.015 1.00 0.00 H new ATOM 0 HD1 TRP A 54 63.750 7.435 -3.342 1.00 0.00 H new ATOM 0 HE1 TRP A 54 63.177 5.240 -4.580 1.00 0.00 H new ATOM 0 HE3 TRP A 54 58.667 7.906 -3.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 60.797 3.891 -5.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 57.272 6.154 -4.549 1.00 0.00 H new ATOM 0 HH2 TRP A 54 58.330 4.149 -5.555 1.00 0.00 H new ATOM 825 N GLY A 55 61.426 12.603 -3.533 1.00 0.00 N ATOM 826 CA GLY A 55 61.084 13.906 -2.899 1.00 0.00 C ATOM 827 C GLY A 55 62.369 14.661 -2.556 1.00 0.00 C ATOM 828 O GLY A 55 63.439 14.328 -3.026 1.00 0.00 O ATOM 0 H GLY A 55 61.945 12.669 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.470 14.501 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.496 13.740 -1.997 1.00 0.00 H new ATOM 832 N SER A 56 62.273 15.675 -1.742 1.00 0.00 N ATOM 833 CA SER A 56 63.490 16.451 -1.372 1.00 0.00 C ATOM 834 C SER A 56 64.166 15.802 -0.163 1.00 0.00 C ATOM 835 O SER A 56 65.377 15.744 -0.074 1.00 0.00 O ATOM 836 CB SER A 56 63.091 17.886 -1.024 1.00 0.00 C ATOM 837 OG SER A 56 63.563 18.763 -2.039 1.00 0.00 O ATOM 0 H SER A 56 61.405 16.000 -1.317 1.00 0.00 H new ATOM 0 HA SER A 56 64.184 16.459 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 56 62.007 17.963 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 56 63.511 18.169 -0.059 1.00 0.00 H new ATOM 0 HG SER A 56 63.308 19.684 -1.821 1.00 0.00 H new ATOM 843 N VAL A 57 63.395 15.314 0.771 1.00 0.00 N ATOM 844 CA VAL A 57 63.993 14.671 1.976 1.00 0.00 C ATOM 845 C VAL A 57 65.156 13.764 1.551 1.00 0.00 C ATOM 846 O VAL A 57 64.938 12.679 1.050 1.00 0.00 O ATOM 847 CB VAL A 57 62.931 13.826 2.683 1.00 0.00 C ATOM 848 CG1 VAL A 57 62.270 12.886 1.674 1.00 0.00 C ATOM 849 CG2 VAL A 57 63.593 13.002 3.788 1.00 0.00 C ATOM 0 H VAL A 57 62.375 15.333 0.751 1.00 0.00 H new ATOM 0 HA VAL A 57 64.359 15.444 2.652 1.00 0.00 H new ATOM 0 HB VAL A 57 62.175 14.480 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 57 61.514 12.284 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 57 61.800 13.472 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 57 63.024 12.230 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 57 62.839 12.399 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.348 12.348 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.065 13.671 4.508 1.00 0.00 H new ATOM 859 N PRO A 58 66.361 14.235 1.766 1.00 0.00 N ATOM 860 CA PRO A 58 67.577 13.481 1.416 1.00 0.00 C ATOM 861 C PRO A 58 67.856 12.404 2.470 1.00 0.00 C ATOM 862 O PRO A 58 68.143 12.701 3.612 1.00 0.00 O ATOM 863 CB PRO A 58 68.675 14.546 1.423 1.00 0.00 C ATOM 864 CG PRO A 58 68.155 15.702 2.311 1.00 0.00 C ATOM 865 CD PRO A 58 66.624 15.556 2.372 1.00 0.00 C ATOM 0 HA PRO A 58 67.501 12.962 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.607 14.141 1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 58 68.883 14.896 0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 58 68.589 15.649 3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 58 68.436 16.668 1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 58 66.260 15.603 3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 58 66.126 16.353 1.821 1.00 0.00 H new ATOM 873 N MET A 59 67.772 11.157 2.096 1.00 0.00 N ATOM 874 CA MET A 59 68.032 10.067 3.080 1.00 0.00 C ATOM 875 C MET A 59 69.513 10.084 3.476 1.00 0.00 C ATOM 876 O MET A 59 70.369 10.318 2.646 1.00 0.00 O ATOM 877 CB MET A 59 67.685 8.718 2.445 1.00 0.00 C ATOM 878 CG MET A 59 68.101 7.586 3.385 1.00 0.00 C ATOM 879 SD MET A 59 68.213 6.041 2.448 1.00 0.00 S ATOM 880 CE MET A 59 69.623 5.335 3.334 1.00 0.00 C ATOM 0 H MET A 59 67.535 10.846 1.154 1.00 0.00 H new ATOM 0 HA MET A 59 67.418 10.218 3.968 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.615 8.663 2.245 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.194 8.614 1.487 1.00 0.00 H new ATOM 0 HG2 MET A 59 69.062 7.815 3.846 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.376 7.483 4.192 1.00 0.00 H new ATOM 0 HE1 MET A 59 69.610 4.250 3.233 1.00 0.00 H new ATOM 0 HE2 MET A 59 70.550 5.727 2.915 1.00 0.00 H new ATOM 0 HE3 MET A 59 69.561 5.602 4.389 1.00 0.00 H new ATOM 890 N PRO A 60 69.771 9.843 4.738 1.00 0.00 N ATOM 891 CA PRO A 60 71.141 9.829 5.279 1.00 0.00 C ATOM 892 C PRO A 60 71.841 8.507 4.943 1.00 0.00 C ATOM 893 O PRO A 60 71.201 7.546 4.565 1.00 0.00 O ATOM 894 CB PRO A 60 70.931 9.963 6.790 1.00 0.00 C ATOM 895 CG PRO A 60 69.490 9.474 7.074 1.00 0.00 C ATOM 896 CD PRO A 60 68.724 9.560 5.742 1.00 0.00 C ATOM 0 HA PRO A 60 71.770 10.618 4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 60 71.659 9.365 7.338 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.061 10.997 7.110 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.496 8.452 7.452 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.014 10.093 7.835 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.203 8.628 5.522 1.00 0.00 H new ATOM 0 HD3 PRO A 60 67.972 10.348 5.766 1.00 0.00 H new ATOM 904 N PRO A 61 73.141 8.502 5.098 1.00 0.00 N ATOM 905 CA PRO A 61 73.970 7.317 4.827 1.00 0.00 C ATOM 906 C PRO A 61 73.871 6.325 5.989 1.00 0.00 C ATOM 907 O PRO A 61 73.882 6.703 7.143 1.00 0.00 O ATOM 908 CB PRO A 61 75.386 7.887 4.715 1.00 0.00 C ATOM 909 CG PRO A 61 75.374 9.234 5.476 1.00 0.00 C ATOM 910 CD PRO A 61 73.903 9.680 5.560 1.00 0.00 C ATOM 0 HA PRO A 61 73.665 6.773 3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 61 76.116 7.203 5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.665 8.033 3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 61 75.801 9.120 6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 61 75.975 9.979 4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 61 73.628 9.958 6.578 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.714 10.549 4.930 1.00 0.00 H new ATOM 918 N GLN A 62 73.773 5.058 5.694 1.00 0.00 N ATOM 919 CA GLN A 62 73.670 4.047 6.783 1.00 0.00 C ATOM 920 C GLN A 62 74.981 3.260 6.875 1.00 0.00 C ATOM 921 O GLN A 62 75.803 3.298 5.982 1.00 0.00 O ATOM 922 CB GLN A 62 72.518 3.087 6.477 1.00 0.00 C ATOM 923 CG GLN A 62 71.300 3.887 6.013 1.00 0.00 C ATOM 924 CD GLN A 62 70.590 4.486 7.229 1.00 0.00 C ATOM 925 OE1 GLN A 62 70.081 3.766 8.065 1.00 0.00 O ATOM 926 NE2 GLN A 62 70.534 5.784 7.363 1.00 0.00 N ATOM 0 H GLN A 62 73.760 4.680 4.747 1.00 0.00 H new ATOM 0 HA GLN A 62 73.482 4.550 7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 62 72.816 2.378 5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.269 2.506 7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.610 4.680 5.332 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.617 3.242 5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 62 70.961 6.388 6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.063 6.194 8.170 1.00 0.00 H new ATOM 935 N ASN A 63 75.181 2.547 7.950 1.00 0.00 N ATOM 936 CA ASN A 63 76.438 1.760 8.097 1.00 0.00 C ATOM 937 C ASN A 63 76.179 0.308 7.692 1.00 0.00 C ATOM 938 O ASN A 63 75.930 -0.544 8.523 1.00 0.00 O ATOM 939 CB ASN A 63 76.906 1.810 9.553 1.00 0.00 C ATOM 940 CG ASN A 63 75.763 1.376 10.473 1.00 0.00 C ATOM 941 OD1 ASN A 63 74.902 2.166 10.806 1.00 0.00 O ATOM 942 ND2 ASN A 63 75.718 0.143 10.901 1.00 0.00 N ATOM 0 H ASN A 63 74.529 2.476 8.731 1.00 0.00 H new ATOM 0 HA ASN A 63 77.210 2.184 7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 63 77.767 1.156 9.692 1.00 0.00 H new ATOM 0 HB3 ASN A 63 77.228 2.820 9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 63 74.960 -0.157 11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 63 76.441 -0.521 10.622 1.00 0.00 H new ATOM 949 N VAL A 64 76.234 0.019 6.422 1.00 0.00 N ATOM 950 CA VAL A 64 75.992 -1.378 5.963 1.00 0.00 C ATOM 951 C VAL A 64 76.949 -1.713 4.819 1.00 0.00 C ATOM 952 O VAL A 64 77.362 -0.851 4.069 1.00 0.00 O ATOM 953 CB VAL A 64 74.546 -1.522 5.476 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.607 -1.617 6.680 1.00 0.00 C ATOM 955 CG2 VAL A 64 74.163 -0.305 4.628 1.00 0.00 C ATOM 0 H VAL A 64 76.436 0.690 5.681 1.00 0.00 H new ATOM 0 HA VAL A 64 76.162 -2.062 6.794 1.00 0.00 H new ATOM 0 HB VAL A 64 74.459 -2.426 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.579 -1.719 6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.875 -2.485 7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.698 -0.714 7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.134 -0.411 4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.253 0.600 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.829 -0.237 3.768 1.00 0.00 H new ATOM 965 N THR A 65 77.303 -2.960 4.678 1.00 0.00 N ATOM 966 CA THR A 65 78.231 -3.355 3.582 1.00 0.00 C ATOM 967 C THR A 65 77.423 -3.703 2.332 1.00 0.00 C ATOM 968 O THR A 65 76.220 -3.541 2.294 1.00 0.00 O ATOM 969 CB THR A 65 79.044 -4.577 4.018 1.00 0.00 C ATOM 970 OG1 THR A 65 78.610 -4.996 5.305 1.00 0.00 O ATOM 971 CG2 THR A 65 80.529 -4.217 4.068 1.00 0.00 C ATOM 0 H THR A 65 76.989 -3.724 5.276 1.00 0.00 H new ATOM 0 HA THR A 65 78.906 -2.528 3.361 1.00 0.00 H new ATOM 0 HB THR A 65 78.896 -5.386 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 65 79.128 -5.779 5.586 1.00 0.00 H new ATOM 0 HG21 THR A 65 81.105 -5.089 4.379 1.00 0.00 H new ATOM 0 HG22 THR A 65 80.859 -3.897 3.080 1.00 0.00 H new ATOM 0 HG23 THR A 65 80.683 -3.407 4.781 1.00 0.00 H new ATOM 979 N ASP A 66 78.075 -4.183 1.309 1.00 0.00 N ATOM 980 CA ASP A 66 77.346 -4.543 0.064 1.00 0.00 C ATOM 981 C ASP A 66 76.428 -5.736 0.340 1.00 0.00 C ATOM 982 O ASP A 66 75.467 -5.969 -0.366 1.00 0.00 O ATOM 983 CB ASP A 66 78.351 -4.915 -1.029 1.00 0.00 C ATOM 984 CG ASP A 66 78.315 -3.862 -2.138 1.00 0.00 C ATOM 985 OD1 ASP A 66 77.413 -3.923 -2.956 1.00 0.00 O ATOM 986 OD2 ASP A 66 79.192 -3.015 -2.151 1.00 0.00 O ATOM 0 H ASP A 66 79.082 -4.341 1.283 1.00 0.00 H new ATOM 0 HA ASP A 66 76.750 -3.692 -0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 66 79.354 -4.980 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 66 78.112 -5.897 -1.438 1.00 0.00 H new ATOM 991 N ALA A 67 76.718 -6.493 1.363 1.00 0.00 N ATOM 992 CA ALA A 67 75.864 -7.670 1.684 1.00 0.00 C ATOM 993 C ALA A 67 74.520 -7.190 2.236 1.00 0.00 C ATOM 994 O ALA A 67 73.471 -7.555 1.745 1.00 0.00 O ATOM 995 CB ALA A 67 76.562 -8.539 2.732 1.00 0.00 C ATOM 0 H ALA A 67 77.509 -6.347 1.990 1.00 0.00 H new ATOM 0 HA ALA A 67 75.699 -8.254 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.936 -9.400 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.520 -8.882 2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.728 -7.955 3.637 1.00 0.00 H new ATOM 1001 N GLU A 68 74.542 -6.379 3.258 1.00 0.00 N ATOM 1002 CA GLU A 68 73.268 -5.880 3.844 1.00 0.00 C ATOM 1003 C GLU A 68 72.482 -5.100 2.787 1.00 0.00 C ATOM 1004 O GLU A 68 71.268 -5.140 2.749 1.00 0.00 O ATOM 1005 CB GLU A 68 73.582 -4.965 5.028 1.00 0.00 C ATOM 1006 CG GLU A 68 73.650 -5.794 6.312 1.00 0.00 C ATOM 1007 CD GLU A 68 74.658 -6.931 6.134 1.00 0.00 C ATOM 1008 OE1 GLU A 68 74.304 -7.920 5.513 1.00 0.00 O ATOM 1009 OE2 GLU A 68 75.767 -6.796 6.624 1.00 0.00 O ATOM 0 H GLU A 68 75.390 -6.040 3.713 1.00 0.00 H new ATOM 0 HA GLU A 68 72.669 -6.725 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 68 74.530 -4.452 4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 68 72.815 -4.196 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 68 73.943 -5.162 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 68 72.666 -6.200 6.548 1.00 0.00 H new ATOM 1016 N ALA A 69 73.162 -4.389 1.932 1.00 0.00 N ATOM 1017 CA ALA A 69 72.452 -3.606 0.881 1.00 0.00 C ATOM 1018 C ALA A 69 71.887 -4.559 -0.175 1.00 0.00 C ATOM 1019 O ALA A 69 70.920 -4.255 -0.846 1.00 0.00 O ATOM 1020 CB ALA A 69 73.432 -2.634 0.220 1.00 0.00 C ATOM 0 H ALA A 69 74.179 -4.316 1.915 1.00 0.00 H new ATOM 0 HA ALA A 69 71.635 -3.046 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.913 -2.061 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.832 -1.954 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 69 74.249 -3.194 -0.234 1.00 0.00 H new ATOM 1026 N LYS A 70 72.484 -5.709 -0.331 1.00 0.00 N ATOM 1027 CA LYS A 70 71.986 -6.677 -1.344 1.00 0.00 C ATOM 1028 C LYS A 70 70.733 -7.380 -0.814 1.00 0.00 C ATOM 1029 O LYS A 70 69.772 -7.574 -1.530 1.00 0.00 O ATOM 1030 CB LYS A 70 73.072 -7.715 -1.630 1.00 0.00 C ATOM 1031 CG LYS A 70 73.310 -7.799 -3.138 1.00 0.00 C ATOM 1032 CD LYS A 70 73.712 -9.228 -3.512 1.00 0.00 C ATOM 1033 CE LYS A 70 73.249 -9.535 -4.938 1.00 0.00 C ATOM 1034 NZ LYS A 70 74.219 -8.957 -5.910 1.00 0.00 N ATOM 0 H LYS A 70 73.297 -6.019 0.202 1.00 0.00 H new ATOM 0 HA LYS A 70 71.738 -6.145 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 70 73.995 -7.441 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.771 -8.689 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 70 72.407 -7.511 -3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 70 74.093 -7.100 -3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 70 74.793 -9.344 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 70 73.266 -9.936 -2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 70 73.171 -10.613 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 70 72.256 -9.118 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 73.905 -9.165 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 74.272 -7.927 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 75.158 -9.375 -5.753 1.00 0.00 H new ATOM 1048 N GLN A 71 70.740 -7.768 0.432 1.00 0.00 N ATOM 1049 CA GLN A 71 69.556 -8.460 1.007 1.00 0.00 C ATOM 1050 C GLN A 71 68.428 -7.447 1.222 1.00 0.00 C ATOM 1051 O GLN A 71 67.270 -7.806 1.308 1.00 0.00 O ATOM 1052 CB GLN A 71 69.947 -9.102 2.347 1.00 0.00 C ATOM 1053 CG GLN A 71 68.697 -9.363 3.194 1.00 0.00 C ATOM 1054 CD GLN A 71 68.380 -8.117 4.024 1.00 0.00 C ATOM 1055 OE1 GLN A 71 69.270 -7.486 4.558 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.139 -7.729 4.154 1.00 0.00 N ATOM 0 H GLN A 71 71.518 -7.634 1.077 1.00 0.00 H new ATOM 0 HA GLN A 71 69.213 -9.236 0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.477 -10.038 2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.631 -8.447 2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 71 67.853 -9.610 2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 71 68.860 -10.219 3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 71 66.390 -8.257 3.706 1.00 0.00 H new ATOM 0 HE22 GLN A 71 66.919 -6.898 4.703 1.00 0.00 H new ATOM 1065 N LEU A 72 68.752 -6.188 1.313 1.00 0.00 N ATOM 1066 CA LEU A 72 67.688 -5.169 1.526 1.00 0.00 C ATOM 1067 C LEU A 72 67.049 -4.811 0.186 1.00 0.00 C ATOM 1068 O LEU A 72 65.868 -4.538 0.106 1.00 0.00 O ATOM 1069 CB LEU A 72 68.297 -3.915 2.157 1.00 0.00 C ATOM 1070 CG LEU A 72 68.681 -4.209 3.607 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.865 -3.330 4.010 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.490 -3.909 4.518 1.00 0.00 C ATOM 0 H LEU A 72 69.702 -5.822 1.250 1.00 0.00 H new ATOM 0 HA LEU A 72 66.927 -5.574 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 72 69.176 -3.601 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.583 -3.092 2.118 1.00 0.00 H new ATOM 0 HG LEU A 72 68.959 -5.258 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 72 70.139 -3.540 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.714 -3.542 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.588 -2.280 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.762 -4.118 5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.213 -2.859 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.645 -4.536 4.231 1.00 0.00 H new ATOM 1084 N ALA A 73 67.812 -4.820 -0.871 1.00 0.00 N ATOM 1085 CA ALA A 73 67.232 -4.492 -2.200 1.00 0.00 C ATOM 1086 C ALA A 73 66.628 -5.762 -2.795 1.00 0.00 C ATOM 1087 O ALA A 73 65.748 -5.714 -3.631 1.00 0.00 O ATOM 1088 CB ALA A 73 68.327 -3.957 -3.125 1.00 0.00 C ATOM 0 H ALA A 73 68.808 -5.040 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 73 66.461 -3.729 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.897 -3.718 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.763 -3.058 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 73 69.102 -4.714 -3.247 1.00 0.00 H new ATOM 1094 N GLN A 74 67.086 -6.902 -2.353 1.00 0.00 N ATOM 1095 CA GLN A 74 66.530 -8.177 -2.873 1.00 0.00 C ATOM 1096 C GLN A 74 65.247 -8.493 -2.111 1.00 0.00 C ATOM 1097 O GLN A 74 64.264 -8.933 -2.676 1.00 0.00 O ATOM 1098 CB GLN A 74 67.543 -9.307 -2.670 1.00 0.00 C ATOM 1099 CG GLN A 74 68.217 -9.632 -4.005 1.00 0.00 C ATOM 1100 CD GLN A 74 68.331 -11.149 -4.167 1.00 0.00 C ATOM 1101 OE1 GLN A 74 68.339 -11.878 -3.195 1.00 0.00 O ATOM 1102 NE2 GLN A 74 68.421 -11.659 -5.365 1.00 0.00 N ATOM 0 H GLN A 74 67.822 -7.002 -1.654 1.00 0.00 H new ATOM 0 HA GLN A 74 66.319 -8.083 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 74 68.291 -9.011 -1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 74 67.043 -10.192 -2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 74 67.639 -9.211 -4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 74 69.207 -9.177 -4.045 1.00 0.00 H new ATOM 0 HE21 GLN A 74 68.414 -11.048 -6.181 1.00 0.00 H new ATOM 0 HE22 GLN A 74 68.498 -12.669 -5.485 1.00 0.00 H new ATOM 1111 N TRP A 75 65.243 -8.253 -0.829 1.00 0.00 N ATOM 1112 CA TRP A 75 64.017 -8.520 -0.032 1.00 0.00 C ATOM 1113 C TRP A 75 63.007 -7.402 -0.300 1.00 0.00 C ATOM 1114 O TRP A 75 61.829 -7.643 -0.463 1.00 0.00 O ATOM 1115 CB TRP A 75 64.376 -8.568 1.462 1.00 0.00 C ATOM 1116 CG TRP A 75 63.163 -8.286 2.295 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.024 -9.018 2.288 1.00 0.00 C ATOM 1118 CD2 TRP A 75 62.950 -7.207 3.249 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.128 -8.457 3.180 1.00 0.00 N ATOM 1120 CE2 TRP A 75 61.653 -7.338 3.797 1.00 0.00 C ATOM 1121 CE3 TRP A 75 63.751 -6.138 3.688 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.167 -6.440 4.747 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.265 -5.232 4.644 1.00 0.00 C ATOM 1124 CH2 TRP A 75 61.976 -5.383 5.174 1.00 0.00 C ATOM 0 H TRP A 75 66.034 -7.884 -0.301 1.00 0.00 H new ATOM 0 HA TRP A 75 63.583 -9.478 -0.316 1.00 0.00 H new ATOM 0 HB2 TRP A 75 64.780 -9.548 1.715 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.154 -7.836 1.680 1.00 0.00 H new ATOM 0 HD1 TRP A 75 61.845 -9.896 1.685 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.194 -8.825 3.360 1.00 0.00 H new ATOM 0 HE3 TRP A 75 64.746 -6.013 3.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.172 -6.560 5.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 63.888 -4.414 4.973 1.00 0.00 H new ATOM 0 HH2 TRP A 75 61.609 -4.684 5.911 1.00 0.00 H new ATOM 1135 N ILE A 76 63.462 -6.180 -0.353 1.00 0.00 N ATOM 1136 CA ILE A 76 62.526 -5.053 -0.616 1.00 0.00 C ATOM 1137 C ILE A 76 61.886 -5.250 -1.991 1.00 0.00 C ATOM 1138 O ILE A 76 60.683 -5.170 -2.142 1.00 0.00 O ATOM 1139 CB ILE A 76 63.289 -3.728 -0.583 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.661 -3.391 0.865 1.00 0.00 C ATOM 1141 CG2 ILE A 76 62.406 -2.617 -1.154 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.601 -2.185 0.886 1.00 0.00 C ATOM 0 H ILE A 76 64.439 -5.915 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 76 61.751 -5.032 0.150 1.00 0.00 H new ATOM 0 HB ILE A 76 64.196 -3.815 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.761 -3.174 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 76 64.142 -4.248 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.949 -1.672 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 76 62.139 -2.857 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 76 61.499 -2.529 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.864 -1.947 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.506 -2.419 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 76 64.104 -1.328 0.431 1.00 0.00 H new ATOM 1154 N LEU A 77 62.677 -5.520 -2.993 1.00 0.00 N ATOM 1155 CA LEU A 77 62.102 -5.736 -4.349 1.00 0.00 C ATOM 1156 C LEU A 77 61.086 -6.874 -4.273 1.00 0.00 C ATOM 1157 O LEU A 77 60.051 -6.843 -4.908 1.00 0.00 O ATOM 1158 CB LEU A 77 63.218 -6.107 -5.330 1.00 0.00 C ATOM 1159 CG LEU A 77 63.999 -4.852 -5.720 1.00 0.00 C ATOM 1160 CD1 LEU A 77 64.982 -5.190 -6.843 1.00 0.00 C ATOM 1161 CD2 LEU A 77 63.027 -3.774 -6.205 1.00 0.00 C ATOM 0 H LEU A 77 63.692 -5.600 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 77 61.615 -4.824 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.887 -6.837 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 77 62.794 -6.574 -6.219 1.00 0.00 H new ATOM 0 HG LEU A 77 64.548 -4.484 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 77 65.539 -4.295 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 77 65.676 -5.957 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 77 64.432 -5.559 -7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 77 63.585 -2.880 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 77 62.477 -4.143 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 77 62.326 -3.531 -5.407 1.00 0.00 H new ATOM 1173 N SER A 78 61.372 -7.881 -3.491 1.00 0.00 N ATOM 1174 CA SER A 78 60.420 -9.019 -3.363 1.00 0.00 C ATOM 1175 C SER A 78 59.126 -8.523 -2.715 1.00 0.00 C ATOM 1176 O SER A 78 58.051 -9.010 -3.000 1.00 0.00 O ATOM 1177 CB SER A 78 61.042 -10.110 -2.490 1.00 0.00 C ATOM 1178 OG SER A 78 60.114 -11.175 -2.340 1.00 0.00 O ATOM 0 H SER A 78 62.224 -7.963 -2.936 1.00 0.00 H new ATOM 0 HA SER A 78 60.203 -9.427 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.963 -10.476 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 78 61.308 -9.704 -1.514 1.00 0.00 H new ATOM 0 HG SER A 78 60.509 -11.877 -1.782 1.00 0.00 H new ATOM 1184 N ILE A 79 59.223 -7.554 -1.844 1.00 0.00 N ATOM 1185 CA ILE A 79 57.999 -7.026 -1.181 1.00 0.00 C ATOM 1186 C ILE A 79 57.149 -6.279 -2.208 1.00 0.00 C ATOM 1187 O ILE A 79 57.601 -5.349 -2.845 1.00 0.00 O ATOM 1188 CB ILE A 79 58.397 -6.068 -0.057 1.00 0.00 C ATOM 1189 CG1 ILE A 79 59.160 -6.838 1.023 1.00 0.00 C ATOM 1190 CG2 ILE A 79 57.138 -5.451 0.554 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.417 -5.918 2.219 1.00 0.00 C ATOM 0 H ILE A 79 60.096 -7.107 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 79 57.426 -7.854 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 79 59.032 -5.279 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 79 58.586 -7.710 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 79 60.105 -7.206 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.420 -4.768 1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.591 -4.904 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.504 -6.241 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 79 59.960 -6.466 2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 79 60.008 -5.060 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.466 -5.572 2.623 1.00 0.00 H new ATOM 1203 N LYS A 80 55.919 -6.679 -2.375 1.00 0.00 N ATOM 1204 CA LYS A 80 55.042 -5.991 -3.361 1.00 0.00 C ATOM 1205 C LYS A 80 53.726 -5.600 -2.689 1.00 0.00 C ATOM 1206 O LYS A 80 53.613 -5.801 -1.490 1.00 0.00 O ATOM 1207 CB LYS A 80 54.758 -6.933 -4.533 1.00 0.00 C ATOM 1208 CG LYS A 80 55.703 -6.609 -5.690 1.00 0.00 C ATOM 1209 CD LYS A 80 55.016 -6.935 -7.017 1.00 0.00 C ATOM 1210 CE LYS A 80 53.730 -6.116 -7.142 1.00 0.00 C ATOM 1211 NZ LYS A 80 53.841 -5.190 -8.304 1.00 0.00 N ATOM 1212 OXT LYS A 80 52.852 -5.106 -3.382 1.00 0.00 O ATOM 0 H LYS A 80 55.484 -7.452 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 80 55.541 -5.094 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 80 54.890 -7.969 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 80 53.722 -6.827 -4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 80 55.982 -5.556 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 80 56.623 -7.185 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 80 55.684 -6.712 -7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 80 54.788 -8.000 -7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 80 52.875 -6.779 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 80 53.557 -5.549 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 53.292 -4.327 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 54.839 -4.939 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 53.470 -5.656 -9.156 1.00 0.00 H new TER 1226 LYS A 80 HETATM 1227 FE HEC A 81 65.918 4.641 3.331 1.00 0.00 FE HETATM 1228 CHA HEC A 81 65.217 5.751 0.222 1.00 0.00 C HETATM 1229 CHB HEC A 81 66.929 1.682 2.065 1.00 0.00 C HETATM 1230 CHC HEC A 81 67.009 3.736 6.388 1.00 0.00 C HETATM 1231 CHD HEC A 81 64.533 7.430 4.641 1.00 0.00 C HETATM 1232 NA HEC A 81 66.030 3.877 1.538 1.00 0.00 N HETATM 1233 C1A HEC A 81 65.718 4.477 0.342 1.00 0.00 C HETATM 1234 C2A HEC A 81 65.910 3.575 -0.768 1.00 0.00 C HETATM 1235 C3A HEC A 81 66.333 2.407 -0.243 1.00 0.00 C HETATM 1236 C4A HEC A 81 66.427 2.609 1.183 1.00 0.00 C HETATM 1237 CMA HEC A 81 66.637 1.127 -1.003 1.00 0.00 C HETATM 1238 CAA HEC A 81 65.697 3.894 -2.238 1.00 0.00 C HETATM 1239 CBA HEC A 81 67.025 4.232 -2.918 1.00 0.00 C HETATM 1240 CGA HEC A 81 67.454 5.647 -2.526 1.00 0.00 C HETATM 1241 O1A HEC A 81 67.814 5.838 -1.376 1.00 0.00 O HETATM 1242 O2A HEC A 81 67.414 6.515 -3.382 1.00 0.00 O HETATM 1243 NB HEC A 81 66.771 3.048 4.070 1.00 0.00 N HETATM 1244 C1B HEC A 81 67.106 1.888 3.412 1.00 0.00 C HETATM 1245 C2B HEC A 81 67.687 0.921 4.309 1.00 0.00 C HETATM 1246 C3B HEC A 81 67.693 1.486 5.535 1.00 0.00 C HETATM 1247 C4B HEC A 81 67.154 2.820 5.371 1.00 0.00 C HETATM 1248 CMB HEC A 81 68.214 -0.455 3.936 1.00 0.00 C HETATM 1249 CAB HEC A 81 68.132 0.833 6.843 1.00 0.00 C HETATM 1250 CBB HEC A 81 69.652 0.717 6.951 1.00 0.00 C HETATM 1251 NC HEC A 81 65.816 5.422 5.117 1.00 0.00 N HETATM 1252 C1C HEC A 81 66.385 4.956 6.276 1.00 0.00 C HETATM 1253 C2C HEC A 81 66.123 5.846 7.384 1.00 0.00 C HETATM 1254 C3C HEC A 81 65.337 6.834 6.906 1.00 0.00 C HETATM 1255 C4C HEC A 81 65.168 6.572 5.502 1.00 0.00 C HETATM 1256 CMC HEC A 81 66.675 5.722 8.793 1.00 0.00 C HETATM 1257 CAC HEC A 81 64.718 7.997 7.674 1.00 0.00 C HETATM 1258 CBC HEC A 81 65.716 8.705 8.590 1.00 0.00 C HETATM 1259 ND HEC A 81 65.073 6.240 2.594 1.00 0.00 N HETATM 1260 C1D HEC A 81 64.506 7.288 3.279 1.00 0.00 C HETATM 1261 C2D HEC A 81 63.966 8.276 2.385 1.00 0.00 C HETATM 1262 C3D HEC A 81 64.237 7.849 1.136 1.00 0.00 C HETATM 1263 C4D HEC A 81 64.903 6.575 1.272 1.00 0.00 C HETATM 1264 CMD HEC A 81 63.214 9.534 2.786 1.00 0.00 C HETATM 1265 CAD HEC A 81 63.927 8.577 -0.160 1.00 0.00 C HETATM 1266 CBD HEC A 81 64.857 9.779 -0.340 1.00 0.00 C HETATM 1267 CGD HEC A 81 65.018 10.080 -1.831 1.00 0.00 C HETATM 1268 O1D HEC A 81 65.317 9.158 -2.572 1.00 0.00 O HETATM 1269 O2D HEC A 81 64.841 11.227 -2.206 1.00 0.00 O HETATM 0 HMD3 HEC A 81 62.319 9.260 3.345 1.00 0.00 H new HETATM 0 HMD2 HEC A 81 63.855 10.158 3.409 1.00 0.00 H new HETATM 0 HMD1 HEC A 81 62.928 10.088 1.892 1.00 0.00 H new HETATM 0 HMC3 HEC A 81 66.359 4.772 9.225 1.00 0.00 H new HETATM 0 HMC2 HEC A 81 67.764 5.762 8.762 1.00 0.00 H new HETATM 0 HMC1 HEC A 81 66.299 6.542 9.405 1.00 0.00 H new HETATM 0 HMB3 HEC A 81 67.409 -1.048 3.502 1.00 0.00 H new HETATM 0 HMB2 HEC A 81 69.020 -0.351 3.210 1.00 0.00 H new HETATM 0 HMB1 HEC A 81 68.592 -0.954 4.828 1.00 0.00 H new HETATM 0 HMA3 HEC A 81 65.741 0.792 -1.525 1.00 0.00 H new HETATM 0 HMA2 HEC A 81 67.430 1.313 -1.727 1.00 0.00 H new HETATM 0 HMA1 HEC A 81 66.959 0.356 -0.303 1.00 0.00 H new HETATM 0 HBD2 HEC A 81 64.449 10.648 0.175 1.00 0.00 H new HETATM 0 HBD1 HEC A 81 65.829 9.570 0.107 1.00 0.00 H new HETATM 0 HBC3 HEC A 81 66.106 7.996 9.320 1.00 0.00 H new HETATM 0 HBC2 HEC A 81 66.538 9.102 7.995 1.00 0.00 H new HETATM 0 HBC1 HEC A 81 65.216 9.523 9.109 1.00 0.00 H new HETATM 0 HBB3 HEC A 81 70.030 0.111 6.128 1.00 0.00 H new HETATM 0 HBB2 HEC A 81 70.097 1.711 6.904 1.00 0.00 H new HETATM 0 HBB1 HEC A 81 69.915 0.246 7.898 1.00 0.00 H new HETATM 0 HBA2 HEC A 81 67.790 3.514 -2.623 1.00 0.00 H new HETATM 0 HBA1 HEC A 81 66.920 4.159 -4.001 1.00 0.00 H new HETATM 0 HAD2 HEC A 81 64.039 7.894 -1.002 1.00 0.00 H new HETATM 0 HAD1 HEC A 81 62.889 8.911 -0.156 1.00 0.00 H new HETATM 0 HAA2 HEC A 81 65.234 3.042 -2.736 1.00 0.00 H new HETATM 0 HAA1 HEC A 81 65.009 4.733 -2.337 1.00 0.00 H new HETATM 0 HHD HEC A 81 64.013 8.286 5.071 1.00 0.00 H new HETATM 0 HHC HEC A 81 67.423 3.473 7.362 1.00 0.00 H new HETATM 0 HHB HEC A 81 67.208 0.707 1.665 1.00 0.00 H new HETATM 0 HHA HEC A 81 65.057 6.136 -0.785 1.00 0.00 H new