USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 444 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 152 HIS HD1 : A 152 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Set 1.1: A 171 CYS SG : rot -157:sc= 0.0547 USER MOD Set 1.2: A 175 HIS : no HE2:sc= 0.0505 X(o=0.11,f=0) USER MOD Set 2.1: A 142 TYR OH : rot 13:sc= 0.869 USER MOD Set 2.2: A 172 SER OG : rot -93:sc= 0.0551 USER MOD Set 3.1: A 143 HIS : no HE2:sc= -4.17 K(o=-3.2,f=-11!) USER MOD Set 3.2: A 153 SER OG : rot 148:sc= 0.955 USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.0946 X(o=-0.095,f=-0.11) USER MOD Single : A 131 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.98) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 HIS : no HD1:sc= -0.452 K(o=-0.45,f=-1.3) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 MET CE :methyl 180:sc= -0.0128 (180deg=-0.0128) USER MOD Single : A 165 GLN : amide:sc= -1.79 K(o=-1.8,f=-7.5!) USER MOD Single : A 168 CYS SG : rot 180:sc= -0.111 USER MOD Single : A 169 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.037) USER MOD Single : A 170 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 0.744 15.343 -7.197 1.00 0.00 N ATOM 2 CA ALA A 124 0.850 14.388 -6.065 1.00 0.00 C ATOM 3 C ALA A 124 0.125 13.084 -6.379 1.00 0.00 C ATOM 4 O ALA A 124 -0.762 13.044 -7.232 1.00 0.00 O ATOM 5 CB ALA A 124 0.288 15.010 -4.795 1.00 0.00 C ATOM 0 HA ALA A 124 1.905 14.162 -5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.372 14.299 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.849 15.912 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -0.761 15.265 -4.948 1.00 0.00 H new ATOM 11 N ILE A 125 0.509 12.016 -5.685 1.00 0.00 N ATOM 12 CA ILE A 125 -0.104 10.710 -5.890 1.00 0.00 C ATOM 13 C ILE A 125 -0.982 10.322 -4.704 1.00 0.00 C ATOM 14 O ILE A 125 -0.779 10.798 -3.588 1.00 0.00 O ATOM 15 CB ILE A 125 0.961 9.619 -6.105 1.00 0.00 C ATOM 16 CG1 ILE A 125 1.974 10.062 -7.161 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.303 8.308 -6.511 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.079 9.055 -7.400 1.00 0.00 C ATOM 0 H ILE A 125 1.242 12.031 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.721 10.787 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 125 1.491 9.462 -5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.451 10.245 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.417 11.009 -6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.069 7.547 -6.659 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.381 7.986 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.251 8.451 -7.439 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.760 9.436 -8.161 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.627 8.889 -6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.646 8.114 -7.739 1.00 0.00 H new ATOM 30 N CYS A 126 -1.959 9.458 -4.956 1.00 0.00 N ATOM 31 CA CYS A 126 -2.868 9.006 -3.908 1.00 0.00 C ATOM 32 C CYS A 126 -2.769 7.496 -3.713 1.00 0.00 C ATOM 33 O CYS A 126 -2.483 6.756 -4.653 1.00 0.00 O ATOM 34 CB CYS A 126 -4.308 9.394 -4.252 1.00 0.00 C ATOM 35 SG CYS A 126 -4.719 11.113 -3.874 1.00 0.00 S ATOM 0 H CYS A 126 -2.142 9.057 -5.876 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.579 9.493 -2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.477 9.216 -5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.989 8.740 -3.707 1.00 0.00 H new ATOM 0 HG CYS A 126 -5.955 11.346 -4.202 1.00 0.00 H new ATOM 41 N CYS A 127 -3.007 7.048 -2.484 1.00 0.00 N ATOM 42 CA CYS A 127 -2.945 5.626 -2.164 1.00 0.00 C ATOM 43 C CYS A 127 -3.948 4.834 -2.997 1.00 0.00 C ATOM 44 O CYS A 127 -5.120 5.200 -3.088 1.00 0.00 O ATOM 45 CB CYS A 127 -3.219 5.409 -0.675 1.00 0.00 C ATOM 46 SG CYS A 127 -2.872 3.732 -0.096 1.00 0.00 S ATOM 0 H CYS A 127 -3.244 7.648 -1.694 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.943 5.268 -2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.617 6.112 -0.100 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.264 5.643 -0.471 1.00 0.00 H new ATOM 51 N GLN A 128 -3.479 3.747 -3.604 1.00 0.00 N ATOM 52 CA GLN A 128 -4.338 2.904 -4.430 1.00 0.00 C ATOM 53 C GLN A 128 -5.446 2.274 -3.594 1.00 0.00 C ATOM 54 O GLN A 128 -6.549 2.034 -4.087 1.00 0.00 O ATOM 55 CB GLN A 128 -3.514 1.809 -5.110 1.00 0.00 C ATOM 56 CG GLN A 128 -2.183 2.296 -5.661 1.00 0.00 C ATOM 57 CD GLN A 128 -1.807 1.618 -6.964 1.00 0.00 C ATOM 58 OE1 GLN A 128 -2.491 1.770 -7.976 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.715 0.864 -6.945 1.00 0.00 N ATOM 0 H GLN A 128 -2.512 3.430 -3.540 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.795 3.533 -5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.329 1.009 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -4.098 1.380 -5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.231 3.374 -5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -1.401 2.116 -4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -0.178 0.766 -6.083 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -0.413 0.383 -7.792 1.00 0.00 H new ATOM 68 N VAL A 129 -5.147 2.006 -2.328 1.00 0.00 N ATOM 69 CA VAL A 129 -6.119 1.403 -1.423 1.00 0.00 C ATOM 70 C VAL A 129 -7.374 2.259 -1.308 1.00 0.00 C ATOM 71 O VAL A 129 -7.304 3.434 -0.947 1.00 0.00 O ATOM 72 CB VAL A 129 -5.525 1.194 -0.017 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.474 0.378 0.849 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.158 0.524 -0.104 1.00 0.00 C ATOM 0 H VAL A 129 -4.239 2.197 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.382 0.434 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.394 2.171 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.037 0.241 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.425 0.903 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.641 -0.596 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.756 0.386 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.258 -0.446 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.481 1.153 -0.682 1.00 0.00 H new ATOM 84 N ASP A 130 -8.520 1.665 -1.619 1.00 0.00 N ATOM 85 CA ASP A 130 -9.792 2.373 -1.550 1.00 0.00 C ATOM 86 C ASP A 130 -10.138 2.728 -0.107 1.00 0.00 C ATOM 87 O ASP A 130 -9.645 2.102 0.831 1.00 0.00 O ATOM 88 CB ASP A 130 -10.909 1.521 -2.159 1.00 0.00 C ATOM 89 CG ASP A 130 -10.907 1.564 -3.675 1.00 0.00 C ATOM 90 OD1 ASP A 130 -9.930 1.076 -4.281 1.00 0.00 O ATOM 91 OD2 ASP A 130 -11.883 2.084 -4.255 1.00 0.00 O ATOM 0 H ASP A 130 -8.594 0.694 -1.922 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.697 3.296 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.797 0.489 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.873 1.872 -1.789 1.00 0.00 H new ATOM 96 N ASN A 131 -10.985 3.735 0.062 1.00 0.00 N ATOM 97 CA ASN A 131 -11.395 4.174 1.390 1.00 0.00 C ATOM 98 C ASN A 131 -10.192 4.640 2.206 1.00 0.00 C ATOM 99 O ASN A 131 -10.199 4.568 3.436 1.00 0.00 O ATOM 100 CB ASN A 131 -12.119 3.041 2.124 1.00 0.00 C ATOM 101 CG ASN A 131 -13.626 3.200 2.086 1.00 0.00 C ATOM 102 OD1 ASN A 131 -14.149 4.311 2.167 1.00 0.00 O ATOM 103 ND2 ASN A 131 -14.335 2.083 1.960 1.00 0.00 N ATOM 0 H ASN A 131 -11.402 4.264 -0.704 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.078 5.016 1.273 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.845 2.087 1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -11.785 3.012 3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.354 2.126 1.927 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.861 1.182 1.896 1.00 0.00 H new ATOM 110 N CYS A 132 -9.162 5.122 1.516 1.00 0.00 N ATOM 111 CA CYS A 132 -7.956 5.601 2.181 1.00 0.00 C ATOM 112 C CYS A 132 -7.510 6.939 1.599 1.00 0.00 C ATOM 113 O CYS A 132 -7.056 7.010 0.457 1.00 0.00 O ATOM 114 CB CYS A 132 -6.828 4.575 2.049 1.00 0.00 C ATOM 115 SG CYS A 132 -5.295 5.058 2.881 1.00 0.00 S ATOM 0 H CYS A 132 -9.139 5.191 0.499 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.187 5.740 3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.167 3.623 2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.620 4.412 0.991 1.00 0.00 H new ATOM 120 N GLY A 133 -7.639 7.995 2.394 1.00 0.00 N ATOM 121 CA GLY A 133 -7.242 9.316 1.941 1.00 0.00 C ATOM 122 C GLY A 133 -5.809 9.644 2.306 1.00 0.00 C ATOM 123 O GLY A 133 -5.520 10.733 2.801 1.00 0.00 O ATOM 0 H GLY A 133 -8.011 7.961 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.362 9.378 0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -7.906 10.062 2.378 1.00 0.00 H new ATOM 127 N ALA A 134 -4.908 8.697 2.063 1.00 0.00 N ATOM 128 CA ALA A 134 -3.497 8.885 2.371 1.00 0.00 C ATOM 129 C ALA A 134 -2.772 9.577 1.223 1.00 0.00 C ATOM 130 O ALA A 134 -2.405 8.943 0.234 1.00 0.00 O ATOM 131 CB ALA A 134 -2.843 7.547 2.677 1.00 0.00 C ATOM 0 H ALA A 134 -5.132 7.790 1.653 1.00 0.00 H new ATOM 0 HA ALA A 134 -3.424 9.524 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -1.788 7.701 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -3.337 7.088 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -2.934 6.891 1.811 1.00 0.00 H new ATOM 137 N ASP A 135 -2.564 10.882 1.361 1.00 0.00 N ATOM 138 CA ASP A 135 -1.879 11.659 0.335 1.00 0.00 C ATOM 139 C ASP A 135 -0.393 11.315 0.300 1.00 0.00 C ATOM 140 O ASP A 135 0.266 11.260 1.339 1.00 0.00 O ATOM 141 CB ASP A 135 -2.062 13.156 0.591 1.00 0.00 C ATOM 142 CG ASP A 135 -2.128 13.958 -0.693 1.00 0.00 C ATOM 143 OD1 ASP A 135 -1.252 13.762 -1.561 1.00 0.00 O ATOM 144 OD2 ASP A 135 -3.058 14.780 -0.833 1.00 0.00 O ATOM 0 H ASP A 135 -2.860 11.424 2.173 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.317 11.408 -0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -2.976 13.315 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.236 13.521 1.202 1.00 0.00 H new ATOM 149 N LEU A 136 0.127 11.082 -0.900 1.00 0.00 N ATOM 150 CA LEU A 136 1.536 10.743 -1.068 1.00 0.00 C ATOM 151 C LEU A 136 2.361 11.983 -1.396 1.00 0.00 C ATOM 152 O LEU A 136 3.256 11.941 -2.241 1.00 0.00 O ATOM 153 CB LEU A 136 1.700 9.697 -2.173 1.00 0.00 C ATOM 154 CG LEU A 136 0.958 8.380 -1.934 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.273 7.381 -3.036 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.319 7.804 -0.572 1.00 0.00 C ATOM 0 H LEU A 136 -0.405 11.121 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 136 1.899 10.329 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.353 10.126 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.762 9.481 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.113 8.582 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.736 6.451 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.964 7.791 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.345 7.184 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.782 6.868 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.392 7.618 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.041 8.513 0.208 1.00 0.00 H new ATOM 168 N SER A 137 2.054 13.086 -0.721 1.00 0.00 N ATOM 169 CA SER A 137 2.766 14.340 -0.935 1.00 0.00 C ATOM 170 C SER A 137 3.650 14.678 0.262 1.00 0.00 C ATOM 171 O SER A 137 4.672 15.349 0.121 1.00 0.00 O ATOM 172 CB SER A 137 1.775 15.476 -1.190 1.00 0.00 C ATOM 173 OG SER A 137 2.380 16.527 -1.923 1.00 0.00 O ATOM 0 H SER A 137 1.315 13.136 -0.020 1.00 0.00 H new ATOM 0 HA SER A 137 3.404 14.221 -1.811 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.914 15.095 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.403 15.859 -0.239 1.00 0.00 H new ATOM 0 HG SER A 137 1.725 17.240 -2.074 1.00 0.00 H new ATOM 179 N LYS A 138 3.249 14.209 1.441 1.00 0.00 N ATOM 180 CA LYS A 138 4.005 14.463 2.661 1.00 0.00 C ATOM 181 C LYS A 138 4.906 13.281 3.000 1.00 0.00 C ATOM 182 O LYS A 138 5.178 13.010 4.170 1.00 0.00 O ATOM 183 CB LYS A 138 3.052 14.741 3.827 1.00 0.00 C ATOM 184 CG LYS A 138 3.656 15.620 4.908 1.00 0.00 C ATOM 185 CD LYS A 138 3.262 15.145 6.298 1.00 0.00 C ATOM 186 CE LYS A 138 4.367 14.320 6.939 1.00 0.00 C ATOM 187 NZ LYS A 138 4.482 14.583 8.399 1.00 0.00 N ATOM 0 H LYS A 138 2.405 13.652 1.576 1.00 0.00 H new ATOM 0 HA LYS A 138 4.632 15.339 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.151 15.219 3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 138 2.746 13.793 4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.742 15.617 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.327 16.650 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.037 16.006 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 138 2.351 14.549 6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.170 13.260 6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.316 14.546 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.246 14.001 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.695 15.589 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 3.585 14.343 8.867 1.00 0.00 H new ATOM 201 N VAL A 139 5.370 12.579 1.970 1.00 0.00 N ATOM 202 CA VAL A 139 6.242 11.427 2.161 1.00 0.00 C ATOM 203 C VAL A 139 7.565 11.610 1.423 1.00 0.00 C ATOM 204 O VAL A 139 7.757 12.595 0.711 1.00 0.00 O ATOM 205 CB VAL A 139 5.572 10.128 1.674 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.501 9.678 2.658 1.00 0.00 C ATOM 207 CG2 VAL A 139 4.984 10.316 0.284 1.00 0.00 C ATOM 0 H VAL A 139 5.156 12.789 0.995 1.00 0.00 H new ATOM 0 HA VAL A 139 6.433 11.350 3.231 1.00 0.00 H new ATOM 0 HB VAL A 139 6.332 9.349 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.039 8.759 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.955 9.498 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.742 10.455 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.516 9.387 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.237 11.110 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 139 5.777 10.586 -0.413 1.00 0.00 H new ATOM 217 N LYS A 140 8.471 10.654 1.597 1.00 0.00 N ATOM 218 CA LYS A 140 9.775 10.711 0.948 1.00 0.00 C ATOM 219 C LYS A 140 9.854 9.713 -0.203 1.00 0.00 C ATOM 220 O LYS A 140 9.733 10.083 -1.370 1.00 0.00 O ATOM 221 CB LYS A 140 10.886 10.433 1.962 1.00 0.00 C ATOM 222 CG LYS A 140 11.353 11.671 2.709 1.00 0.00 C ATOM 223 CD LYS A 140 12.563 12.302 2.041 1.00 0.00 C ATOM 224 CE LYS A 140 12.611 13.804 2.276 1.00 0.00 C ATOM 225 NZ LYS A 140 12.945 14.551 1.032 1.00 0.00 N ATOM 0 H LYS A 140 8.326 9.831 2.182 1.00 0.00 H new ATOM 0 HA LYS A 140 9.908 11.714 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.532 9.696 2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.736 9.989 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.541 12.397 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.601 11.405 3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 140 13.473 11.843 2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 140 12.534 12.101 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 140 11.647 14.143 2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 140 13.352 14.028 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 12.968 15.571 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 13.876 14.246 0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 12.224 14.358 0.307 1.00 0.00 H new ATOM 239 N ASP A 141 10.057 8.446 0.138 1.00 0.00 N ATOM 240 CA ASP A 141 10.154 7.391 -0.863 1.00 0.00 C ATOM 241 C ASP A 141 9.618 6.072 -0.316 1.00 0.00 C ATOM 242 O ASP A 141 9.164 6.000 0.827 1.00 0.00 O ATOM 243 CB ASP A 141 11.605 7.216 -1.314 1.00 0.00 C ATOM 244 CG ASP A 141 11.718 6.898 -2.791 1.00 0.00 C ATOM 245 OD1 ASP A 141 11.606 5.709 -3.153 1.00 0.00 O ATOM 246 OD2 ASP A 141 11.918 7.840 -3.587 1.00 0.00 O ATOM 0 H ASP A 141 10.158 8.124 1.101 1.00 0.00 H new ATOM 0 HA ASP A 141 9.548 7.683 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 141 12.162 8.128 -1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 141 12.068 6.416 -0.737 1.00 0.00 H new ATOM 251 N TYR A 142 9.673 5.029 -1.138 1.00 0.00 N ATOM 252 CA TYR A 142 9.195 3.712 -0.736 1.00 0.00 C ATOM 253 C TYR A 142 7.712 3.757 -0.379 1.00 0.00 C ATOM 254 O TYR A 142 7.246 3.000 0.472 1.00 0.00 O ATOM 255 CB TYR A 142 10.004 3.194 0.454 1.00 0.00 C ATOM 256 CG TYR A 142 10.308 1.713 0.383 1.00 0.00 C ATOM 257 CD1 TYR A 142 9.333 0.770 0.682 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.570 1.261 0.017 1.00 0.00 C ATOM 259 CE1 TYR A 142 9.607 -0.583 0.617 1.00 0.00 C ATOM 260 CE2 TYR A 142 11.851 -0.090 -0.049 1.00 0.00 C ATOM 261 CZ TYR A 142 10.867 -1.008 0.251 1.00 0.00 C ATOM 262 OH TYR A 142 11.143 -2.353 0.187 1.00 0.00 O ATOM 0 H TYR A 142 10.044 5.071 -2.087 1.00 0.00 H new ATOM 0 HA TYR A 142 9.326 3.032 -1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 142 10.942 3.746 0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.455 3.400 1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.345 1.099 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 142 12.343 1.977 -0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 142 8.838 -1.304 0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 142 12.837 -0.426 -0.334 1.00 0.00 H new ATOM 0 HH TYR A 142 10.306 -2.861 0.225 1.00 0.00 H new ATOM 272 N HIS A 143 6.976 4.650 -1.033 1.00 0.00 N ATOM 273 CA HIS A 143 5.547 4.794 -0.784 1.00 0.00 C ATOM 274 C HIS A 143 4.869 5.557 -1.917 1.00 0.00 C ATOM 275 O HIS A 143 3.805 5.162 -2.395 1.00 0.00 O ATOM 276 CB HIS A 143 5.311 5.515 0.544 1.00 0.00 C ATOM 277 CG HIS A 143 5.428 4.621 1.739 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.092 4.987 2.890 1.00 0.00 N ATOM 279 CD2 HIS A 143 4.959 3.369 1.958 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.029 3.999 3.766 1.00 0.00 C ATOM 281 NE2 HIS A 143 5.346 3.006 3.224 1.00 0.00 N ATOM 0 H HIS A 143 7.347 5.285 -1.740 1.00 0.00 H new ATOM 0 HA HIS A 143 5.111 3.796 -0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 143 6.029 6.330 0.638 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.318 5.965 0.533 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.559 5.881 3.042 1.00 0.00 H new ATOM 0 HD2 HIS A 143 4.387 2.769 1.266 1.00 0.00 H new ATOM 0 HE1 HIS A 143 6.462 4.003 4.756 1.00 0.00 H new ATOM 289 N ARG A 144 5.491 6.650 -2.343 1.00 0.00 N ATOM 290 CA ARG A 144 4.946 7.468 -3.421 1.00 0.00 C ATOM 291 C ARG A 144 5.178 6.808 -4.775 1.00 0.00 C ATOM 292 O ARG A 144 4.280 6.760 -5.617 1.00 0.00 O ATOM 293 CB ARG A 144 5.580 8.860 -3.403 1.00 0.00 C ATOM 294 CG ARG A 144 4.917 9.841 -4.357 1.00 0.00 C ATOM 295 CD ARG A 144 5.782 10.105 -5.580 1.00 0.00 C ATOM 296 NE ARG A 144 5.323 11.267 -6.336 1.00 0.00 N ATOM 297 CZ ARG A 144 6.074 11.923 -7.216 1.00 0.00 C ATOM 298 NH1 ARG A 144 7.321 11.537 -7.454 1.00 0.00 N ATOM 299 NH2 ARG A 144 5.578 12.969 -7.862 1.00 0.00 N ATOM 0 H ARG A 144 6.372 6.991 -1.959 1.00 0.00 H new ATOM 0 HA ARG A 144 3.872 7.564 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 144 5.530 9.260 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.636 8.773 -3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 144 3.951 9.446 -4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 144 4.724 10.780 -3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 144 6.814 10.261 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 144 5.774 9.227 -6.226 1.00 0.00 H new ATOM 0 HE ARG A 144 4.370 11.595 -6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 144 7.709 10.733 -6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 144 7.892 12.044 -8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 144 4.620 13.271 -7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 144 6.154 13.472 -8.537 1.00 0.00 H new ATOM 313 N ARG A 145 6.388 6.299 -4.980 1.00 0.00 N ATOM 314 CA ARG A 145 6.739 5.641 -6.234 1.00 0.00 C ATOM 315 C ARG A 145 5.979 4.328 -6.389 1.00 0.00 C ATOM 316 O ARG A 145 5.484 4.011 -7.471 1.00 0.00 O ATOM 317 CB ARG A 145 8.246 5.382 -6.292 1.00 0.00 C ATOM 318 CG ARG A 145 8.729 4.909 -7.655 1.00 0.00 C ATOM 319 CD ARG A 145 10.079 5.513 -8.013 1.00 0.00 C ATOM 320 NE ARG A 145 10.088 6.070 -9.364 1.00 0.00 N ATOM 321 CZ ARG A 145 10.989 6.947 -9.797 1.00 0.00 C ATOM 322 NH1 ARG A 145 11.955 7.369 -8.992 1.00 0.00 N ATOM 323 NH2 ARG A 145 10.924 7.404 -11.041 1.00 0.00 N ATOM 0 H ARG A 145 7.142 6.329 -4.294 1.00 0.00 H new ATOM 0 HA ARG A 145 6.459 6.301 -7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.774 6.297 -6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 145 8.507 4.634 -5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 145 8.804 3.822 -7.657 1.00 0.00 H new ATOM 0 HG3 ARG A 145 7.996 5.179 -8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 145 10.328 6.296 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 145 10.852 4.749 -7.931 1.00 0.00 H new ATOM 0 HE ARG A 145 9.361 5.769 -10.013 1.00 0.00 H new ATOM 0 HH11 ARG A 145 12.010 7.021 -8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 145 12.643 8.042 -9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 145 10.183 7.083 -11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 145 11.615 8.077 -11.374 1.00 0.00 H new ATOM 337 N HIS A 146 5.892 3.568 -5.303 1.00 0.00 N ATOM 338 CA HIS A 146 5.190 2.289 -5.319 1.00 0.00 C ATOM 339 C HIS A 146 3.677 2.479 -5.212 1.00 0.00 C ATOM 340 O HIS A 146 2.916 1.518 -5.313 1.00 0.00 O ATOM 341 CB HIS A 146 5.684 1.403 -4.173 1.00 0.00 C ATOM 342 CG HIS A 146 7.128 1.025 -4.288 1.00 0.00 C ATOM 343 ND1 HIS A 146 8.123 1.618 -3.538 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.746 0.108 -5.070 1.00 0.00 C ATOM 345 CE1 HIS A 146 9.289 1.084 -3.855 1.00 0.00 C ATOM 346 NE2 HIS A 146 9.088 0.165 -4.780 1.00 0.00 N ATOM 0 H HIS A 146 6.298 3.815 -4.401 1.00 0.00 H new ATOM 0 HA HIS A 146 5.403 1.804 -6.272 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.527 1.924 -3.228 1.00 0.00 H new ATOM 0 HB3 HIS A 146 5.081 0.496 -4.140 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.273 -0.546 -5.787 1.00 0.00 H new ATOM 0 HE1 HIS A 146 10.244 1.354 -3.429 1.00 0.00 H new ATOM 0 HE2 HIS A 146 9.812 -0.410 -5.210 1.00 0.00 H new ATOM 354 N LYS A 147 3.245 3.723 -5.006 1.00 0.00 N ATOM 355 CA LYS A 147 1.823 4.027 -4.888 1.00 0.00 C ATOM 356 C LYS A 147 1.214 3.322 -3.680 1.00 0.00 C ATOM 357 O LYS A 147 0.508 2.325 -3.821 1.00 0.00 O ATOM 358 CB LYS A 147 1.083 3.616 -6.162 1.00 0.00 C ATOM 359 CG LYS A 147 0.991 4.727 -7.197 1.00 0.00 C ATOM 360 CD LYS A 147 1.161 4.189 -8.610 1.00 0.00 C ATOM 361 CE LYS A 147 2.573 4.416 -9.124 1.00 0.00 C ATOM 362 NZ LYS A 147 2.732 3.954 -10.530 1.00 0.00 N ATOM 0 H LYS A 147 3.859 4.533 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 147 1.718 5.103 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 147 1.589 2.758 -6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 147 0.076 3.291 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.026 5.227 -7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 147 1.757 5.476 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 147 0.934 3.123 -8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 147 0.448 4.676 -9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 147 2.816 5.477 -9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 147 3.281 3.888 -8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 3.709 4.126 -10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 2.524 2.937 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 2.074 4.476 -11.143 1.00 0.00 H new ATOM 376 N VAL A 148 1.496 3.848 -2.493 1.00 0.00 N ATOM 377 CA VAL A 148 0.977 3.274 -1.257 1.00 0.00 C ATOM 378 C VAL A 148 1.458 4.066 -0.045 1.00 0.00 C ATOM 379 O VAL A 148 2.614 4.486 0.014 1.00 0.00 O ATOM 380 CB VAL A 148 1.404 1.800 -1.099 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.920 1.678 -1.054 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.772 1.190 0.144 1.00 0.00 C ATOM 0 H VAL A 148 2.082 4.672 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.110 3.323 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 148 1.049 1.246 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.198 0.630 -0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.344 2.069 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.306 2.248 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 148 1.085 0.150 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.092 1.746 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.314 1.236 0.060 1.00 0.00 H new ATOM 392 N CYS A 149 0.567 4.270 0.920 1.00 0.00 N ATOM 393 CA CYS A 149 0.909 5.013 2.125 1.00 0.00 C ATOM 394 C CYS A 149 1.645 4.121 3.122 1.00 0.00 C ATOM 395 O CYS A 149 1.931 2.959 2.836 1.00 0.00 O ATOM 396 CB CYS A 149 -0.353 5.607 2.763 1.00 0.00 C ATOM 397 SG CYS A 149 -1.407 4.405 3.611 1.00 0.00 S ATOM 0 H CYS A 149 -0.395 3.932 0.890 1.00 0.00 H new ATOM 0 HA CYS A 149 1.574 5.830 1.846 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.056 6.376 3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -0.939 6.100 1.987 1.00 0.00 H new ATOM 402 N GLU A 150 1.957 4.676 4.289 1.00 0.00 N ATOM 403 CA GLU A 150 2.668 3.936 5.322 1.00 0.00 C ATOM 404 C GLU A 150 1.757 2.917 6.002 1.00 0.00 C ATOM 405 O GLU A 150 2.206 1.848 6.414 1.00 0.00 O ATOM 406 CB GLU A 150 3.236 4.903 6.360 1.00 0.00 C ATOM 407 CG GLU A 150 2.240 5.953 6.827 1.00 0.00 C ATOM 408 CD GLU A 150 2.427 6.325 8.285 1.00 0.00 C ATOM 409 OE1 GLU A 150 2.748 5.426 9.091 1.00 0.00 O ATOM 410 OE2 GLU A 150 2.255 7.516 8.621 1.00 0.00 O ATOM 0 H GLU A 150 1.728 5.637 4.542 1.00 0.00 H new ATOM 0 HA GLU A 150 3.485 3.394 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 150 3.582 4.334 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 150 4.108 5.404 5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 150 2.344 6.847 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 150 1.227 5.579 6.678 1.00 0.00 H new ATOM 417 N ILE A 151 0.478 3.259 6.125 1.00 0.00 N ATOM 418 CA ILE A 151 -0.490 2.373 6.761 1.00 0.00 C ATOM 419 C ILE A 151 -0.616 1.052 6.010 1.00 0.00 C ATOM 420 O ILE A 151 -0.683 -0.015 6.622 1.00 0.00 O ATOM 421 CB ILE A 151 -1.882 3.033 6.850 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.788 4.374 7.581 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.865 2.108 7.552 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.204 4.266 8.972 1.00 0.00 C ATOM 0 H ILE A 151 0.089 4.142 5.793 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.119 2.178 7.767 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.246 3.216 5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.177 5.058 6.992 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -2.784 4.813 7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.842 2.589 7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.950 1.176 6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.509 1.896 8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.168 5.255 9.429 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.827 3.608 9.578 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.195 3.857 8.912 1.00 0.00 H new ATOM 436 N HIS A 152 -0.653 1.126 4.685 1.00 0.00 N ATOM 437 CA HIS A 152 -0.778 -0.068 3.859 1.00 0.00 C ATOM 438 C HIS A 152 0.590 -0.564 3.396 1.00 0.00 C ATOM 439 O HIS A 152 0.697 -1.259 2.385 1.00 0.00 O ATOM 440 CB HIS A 152 -1.667 0.217 2.647 1.00 0.00 C ATOM 441 CG HIS A 152 -3.112 0.397 2.996 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.768 1.606 2.893 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.032 -0.488 3.449 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.026 1.459 3.268 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.213 0.198 3.610 1.00 0.00 N ATOM 0 H HIS A 152 -0.598 1.999 4.160 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.237 -0.849 4.465 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.308 1.116 2.146 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.573 -0.604 1.936 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -3.868 -1.537 3.647 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.774 2.238 3.291 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.091 -0.203 3.940 1.00 0.00 H new ATOM 452 N SER A 153 1.633 -0.205 4.140 1.00 0.00 N ATOM 453 CA SER A 153 2.988 -0.618 3.804 1.00 0.00 C ATOM 454 C SER A 153 3.387 -1.859 4.596 1.00 0.00 C ATOM 455 O SER A 153 4.172 -2.683 4.127 1.00 0.00 O ATOM 456 CB SER A 153 3.975 0.518 4.080 1.00 0.00 C ATOM 457 OG SER A 153 5.268 0.201 3.597 1.00 0.00 O ATOM 0 H SER A 153 1.563 0.371 4.979 1.00 0.00 H new ATOM 0 HA SER A 153 3.015 -0.861 2.742 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.621 1.434 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 153 4.021 0.711 5.152 1.00 0.00 H new ATOM 0 HG SER A 153 5.721 1.022 3.313 1.00 0.00 H new ATOM 463 N LYS A 154 2.837 -1.986 5.800 1.00 0.00 N ATOM 464 CA LYS A 154 3.132 -3.126 6.660 1.00 0.00 C ATOM 465 C LYS A 154 1.862 -3.653 7.318 1.00 0.00 C ATOM 466 O LYS A 154 1.880 -4.085 8.470 1.00 0.00 O ATOM 467 CB LYS A 154 4.152 -2.735 7.731 1.00 0.00 C ATOM 468 CG LYS A 154 5.385 -2.043 7.173 1.00 0.00 C ATOM 469 CD LYS A 154 5.183 -0.540 7.074 1.00 0.00 C ATOM 470 CE LYS A 154 5.560 0.160 8.369 1.00 0.00 C ATOM 471 NZ LYS A 154 5.143 1.590 8.370 1.00 0.00 N ATOM 0 H LYS A 154 2.184 -1.313 6.202 1.00 0.00 H new ATOM 0 HA LYS A 154 3.554 -3.917 6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.672 -2.076 8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 154 4.461 -3.630 8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 154 6.243 -2.255 7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.615 -2.446 6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 154 5.786 -0.144 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 154 4.141 -0.327 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 154 5.093 -0.355 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 154 6.638 0.096 8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 5.418 2.031 9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 5.608 2.088 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 4.111 1.651 8.256 1.00 0.00 H new ATOM 485 N ALA A 155 0.759 -3.615 6.577 1.00 0.00 N ATOM 486 CA ALA A 155 -0.522 -4.089 7.089 1.00 0.00 C ATOM 487 C ALA A 155 -0.785 -5.529 6.667 1.00 0.00 C ATOM 488 O ALA A 155 0.034 -6.146 5.983 1.00 0.00 O ATOM 489 CB ALA A 155 -1.648 -3.184 6.608 1.00 0.00 C ATOM 0 H ALA A 155 0.726 -3.261 5.621 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.483 -4.059 8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.599 -3.548 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.476 -2.168 6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.677 -3.187 5.518 1.00 0.00 H new ATOM 495 N THR A 156 -1.931 -6.060 7.076 1.00 0.00 N ATOM 496 CA THR A 156 -2.304 -7.429 6.740 1.00 0.00 C ATOM 497 C THR A 156 -3.061 -7.482 5.418 1.00 0.00 C ATOM 498 O THR A 156 -2.654 -8.175 4.484 1.00 0.00 O ATOM 499 CB THR A 156 -3.173 -8.063 7.842 1.00 0.00 C ATOM 500 OG1 THR A 156 -2.683 -7.683 9.133 1.00 0.00 O ATOM 501 CG2 THR A 156 -3.180 -9.579 7.721 1.00 0.00 C ATOM 0 H THR A 156 -2.619 -5.563 7.642 1.00 0.00 H new ATOM 0 HA THR A 156 -1.377 -7.996 6.649 1.00 0.00 H new ATOM 0 HB THR A 156 -4.194 -7.701 7.722 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.242 -8.089 9.828 1.00 0.00 H new ATOM 0 HG21 THR A 156 -3.800 -10.004 8.510 1.00 0.00 H new ATOM 0 HG22 THR A 156 -3.583 -9.865 6.749 1.00 0.00 H new ATOM 0 HG23 THR A 156 -2.162 -9.956 7.817 1.00 0.00 H new ATOM 509 N THR A 157 -4.165 -6.746 5.345 1.00 0.00 N ATOM 510 CA THR A 157 -4.981 -6.707 4.138 1.00 0.00 C ATOM 511 C THR A 157 -5.079 -5.289 3.588 1.00 0.00 C ATOM 512 O THR A 157 -4.567 -4.344 4.186 1.00 0.00 O ATOM 513 CB THR A 157 -6.401 -7.243 4.402 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.804 -6.924 5.739 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.458 -8.749 4.195 1.00 0.00 C ATOM 0 H THR A 157 -4.515 -6.168 6.109 1.00 0.00 H new ATOM 0 HA THR A 157 -4.491 -7.346 3.404 1.00 0.00 H new ATOM 0 HB THR A 157 -7.082 -6.769 3.695 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.708 -7.266 5.899 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.470 -9.105 4.387 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.179 -8.986 3.168 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.766 -9.237 4.881 1.00 0.00 H new ATOM 523 N ALA A 158 -5.741 -5.147 2.445 1.00 0.00 N ATOM 524 CA ALA A 158 -5.907 -3.844 1.813 1.00 0.00 C ATOM 525 C ALA A 158 -6.798 -3.940 0.580 1.00 0.00 C ATOM 526 O ALA A 158 -6.597 -4.798 -0.278 1.00 0.00 O ATOM 527 CB ALA A 158 -4.551 -3.262 1.441 1.00 0.00 C ATOM 0 H ALA A 158 -6.172 -5.919 1.937 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.392 -3.181 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.690 -2.289 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.945 -3.147 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.045 -3.933 0.746 1.00 0.00 H new ATOM 533 N LEU A 159 -7.786 -3.053 0.500 1.00 0.00 N ATOM 534 CA LEU A 159 -8.709 -3.037 -0.628 1.00 0.00 C ATOM 535 C LEU A 159 -8.184 -2.144 -1.748 1.00 0.00 C ATOM 536 O LEU A 159 -8.191 -0.918 -1.632 1.00 0.00 O ATOM 537 CB LEU A 159 -10.090 -2.553 -0.178 1.00 0.00 C ATOM 538 CG LEU A 159 -11.258 -3.032 -1.041 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.028 -2.674 -2.500 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.457 -4.533 -0.882 1.00 0.00 C ATOM 0 H LEU A 159 -7.967 -2.337 1.203 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.795 -4.055 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.257 -2.883 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.090 -1.463 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.164 -2.527 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.870 -3.023 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -10.937 -1.592 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.112 -3.149 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.292 -4.857 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.551 -5.055 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.670 -4.763 0.162 1.00 0.00 H new ATOM 552 N VAL A 160 -7.732 -2.766 -2.832 1.00 0.00 N ATOM 553 CA VAL A 160 -7.205 -2.029 -3.973 1.00 0.00 C ATOM 554 C VAL A 160 -7.800 -2.543 -5.280 1.00 0.00 C ATOM 555 O VAL A 160 -7.467 -3.637 -5.736 1.00 0.00 O ATOM 556 CB VAL A 160 -5.670 -2.126 -4.048 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.128 -1.199 -5.125 1.00 0.00 C ATOM 558 CG2 VAL A 160 -5.047 -1.808 -2.697 1.00 0.00 C ATOM 0 H VAL A 160 -7.720 -3.780 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.487 -0.986 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.402 -3.149 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -4.042 -1.281 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.547 -1.480 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.406 -0.171 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.962 -1.882 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.323 -0.797 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.410 -2.517 -1.953 1.00 0.00 H new ATOM 568 N GLY A 161 -8.682 -1.749 -5.877 1.00 0.00 N ATOM 569 CA GLY A 161 -9.309 -2.142 -7.124 1.00 0.00 C ATOM 570 C GLY A 161 -10.614 -2.880 -6.911 1.00 0.00 C ATOM 571 O GLY A 161 -11.637 -2.533 -7.503 1.00 0.00 O ATOM 0 H GLY A 161 -8.974 -0.840 -5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.492 -1.255 -7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.624 -2.777 -7.687 1.00 0.00 H new ATOM 575 N GLY A 162 -10.583 -3.901 -6.060 1.00 0.00 N ATOM 576 CA GLY A 162 -11.780 -4.675 -5.785 1.00 0.00 C ATOM 577 C GLY A 162 -11.513 -5.852 -4.868 1.00 0.00 C ATOM 578 O GLY A 162 -12.357 -6.210 -4.046 1.00 0.00 O ATOM 0 H GLY A 162 -9.750 -4.206 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.531 -4.028 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.198 -5.038 -6.724 1.00 0.00 H new ATOM 582 N ILE A 163 -10.338 -6.456 -5.009 1.00 0.00 N ATOM 583 CA ILE A 163 -9.963 -7.599 -4.186 1.00 0.00 C ATOM 584 C ILE A 163 -8.901 -7.214 -3.164 1.00 0.00 C ATOM 585 O ILE A 163 -8.071 -6.340 -3.413 1.00 0.00 O ATOM 586 CB ILE A 163 -9.433 -8.761 -5.049 1.00 0.00 C ATOM 587 CG1 ILE A 163 -10.384 -9.038 -6.213 1.00 0.00 C ATOM 588 CG2 ILE A 163 -9.248 -10.010 -4.199 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.798 -9.952 -7.269 1.00 0.00 C ATOM 0 H ILE A 163 -9.629 -6.173 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.863 -7.924 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.464 -8.476 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -11.300 -9.485 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.663 -8.092 -6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.873 -10.822 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -8.533 -9.805 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -10.205 -10.299 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.528 -10.104 -8.064 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.898 -9.498 -7.685 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -9.545 -10.912 -6.819 1.00 0.00 H new ATOM 601 N MET A 164 -8.932 -7.876 -2.013 1.00 0.00 N ATOM 602 CA MET A 164 -7.972 -7.605 -0.950 1.00 0.00 C ATOM 603 C MET A 164 -6.592 -8.143 -1.313 1.00 0.00 C ATOM 604 O MET A 164 -6.471 -9.137 -2.028 1.00 0.00 O ATOM 605 CB MET A 164 -8.444 -8.230 0.364 1.00 0.00 C ATOM 606 CG MET A 164 -9.661 -7.540 0.962 1.00 0.00 C ATOM 607 SD MET A 164 -9.556 -7.377 2.755 1.00 0.00 S ATOM 608 CE MET A 164 -9.545 -5.593 2.931 1.00 0.00 C ATOM 0 H MET A 164 -9.611 -8.604 -1.792 1.00 0.00 H new ATOM 0 HA MET A 164 -7.901 -6.524 -0.827 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.679 -9.281 0.193 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.628 -8.199 1.086 1.00 0.00 H new ATOM 0 HG2 MET A 164 -9.768 -6.551 0.517 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.557 -8.104 0.704 1.00 0.00 H new ATOM 0 HE1 MET A 164 -9.483 -5.332 3.987 1.00 0.00 H new ATOM 0 HE2 MET A 164 -8.684 -5.181 2.404 1.00 0.00 H new ATOM 0 HE3 MET A 164 -10.461 -5.180 2.508 1.00 0.00 H new ATOM 618 N GLN A 165 -5.554 -7.480 -0.814 1.00 0.00 N ATOM 619 CA GLN A 165 -4.181 -7.890 -1.086 1.00 0.00 C ATOM 620 C GLN A 165 -3.256 -7.485 0.056 1.00 0.00 C ATOM 621 O GLN A 165 -3.685 -6.850 1.021 1.00 0.00 O ATOM 622 CB GLN A 165 -3.691 -7.273 -2.398 1.00 0.00 C ATOM 623 CG GLN A 165 -3.992 -5.788 -2.524 1.00 0.00 C ATOM 624 CD GLN A 165 -4.438 -5.400 -3.920 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.640 -4.936 -4.733 1.00 0.00 O ATOM 626 NE2 GLN A 165 -5.721 -5.591 -4.204 1.00 0.00 N ATOM 0 H GLN A 165 -5.638 -6.656 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.165 -8.976 -1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.615 -7.425 -2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.153 -7.801 -3.232 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -4.769 -5.517 -1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.102 -5.217 -2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -6.347 -5.979 -3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -6.080 -5.350 -5.128 1.00 0.00 H new ATOM 635 N ARG A 166 -1.985 -7.855 -0.058 1.00 0.00 N ATOM 636 CA ARG A 166 -0.999 -7.530 0.966 1.00 0.00 C ATOM 637 C ARG A 166 0.242 -6.893 0.347 1.00 0.00 C ATOM 638 O ARG A 166 0.779 -7.392 -0.642 1.00 0.00 O ATOM 639 CB ARG A 166 -0.606 -8.785 1.747 1.00 0.00 C ATOM 640 CG ARG A 166 0.036 -8.488 3.092 1.00 0.00 C ATOM 641 CD ARG A 166 0.214 -9.754 3.916 1.00 0.00 C ATOM 642 NE ARG A 166 0.316 -9.467 5.345 1.00 0.00 N ATOM 643 CZ ARG A 166 1.425 -9.031 5.938 1.00 0.00 C ATOM 644 NH1 ARG A 166 2.530 -8.831 5.230 1.00 0.00 N ATOM 645 NH2 ARG A 166 1.429 -8.792 7.241 1.00 0.00 N ATOM 0 H ARG A 166 -1.613 -8.380 -0.849 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.451 -6.812 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -1.494 -9.397 1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.086 -9.375 1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 166 1.005 -8.014 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -0.581 -7.778 3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -0.629 -10.423 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 166 1.111 -10.278 3.586 1.00 0.00 H new ATOM 0 HE ARG A 166 -0.512 -9.609 5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 166 2.532 -9.012 4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 166 3.377 -8.497 5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 166 0.582 -8.942 7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 166 2.279 -8.458 7.696 1.00 0.00 H new ATOM 659 N PHE A 167 0.689 -5.790 0.937 1.00 0.00 N ATOM 660 CA PHE A 167 1.867 -5.085 0.445 1.00 0.00 C ATOM 661 C PHE A 167 3.145 -5.709 0.998 1.00 0.00 C ATOM 662 O PHE A 167 3.406 -5.650 2.199 1.00 0.00 O ATOM 663 CB PHE A 167 1.799 -3.606 0.831 1.00 0.00 C ATOM 664 CG PHE A 167 2.877 -2.769 0.204 1.00 0.00 C ATOM 665 CD1 PHE A 167 4.094 -2.592 0.843 1.00 0.00 C ATOM 666 CD2 PHE A 167 2.673 -2.158 -1.023 1.00 0.00 C ATOM 667 CE1 PHE A 167 5.087 -1.821 0.270 1.00 0.00 C ATOM 668 CE2 PHE A 167 3.663 -1.387 -1.602 1.00 0.00 C ATOM 669 CZ PHE A 167 4.871 -1.219 -0.955 1.00 0.00 C ATOM 0 H PHE A 167 0.254 -5.365 1.756 1.00 0.00 H new ATOM 0 HA PHE A 167 1.884 -5.170 -0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 167 0.827 -3.208 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 167 1.868 -3.519 1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 167 4.268 -3.062 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 167 1.729 -2.286 -1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 167 6.031 -1.689 0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 167 3.492 -0.917 -2.559 1.00 0.00 H new ATOM 0 HZ PHE A 167 5.647 -0.618 -1.406 1.00 0.00 H new ATOM 679 N CYS A 168 3.936 -6.309 0.114 1.00 0.00 N ATOM 680 CA CYS A 168 5.186 -6.943 0.516 1.00 0.00 C ATOM 681 C CYS A 168 6.332 -5.938 0.522 1.00 0.00 C ATOM 682 O CYS A 168 6.428 -5.086 -0.362 1.00 0.00 O ATOM 683 CB CYS A 168 5.516 -8.107 -0.421 1.00 0.00 C ATOM 684 SG CYS A 168 6.345 -9.495 0.388 1.00 0.00 S ATOM 0 H CYS A 168 3.734 -6.369 -0.884 1.00 0.00 H new ATOM 0 HA CYS A 168 5.060 -7.325 1.529 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.593 -8.465 -0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.149 -7.741 -1.229 1.00 0.00 H new ATOM 0 HG CYS A 168 6.580 -10.429 -0.485 1.00 0.00 H new ATOM 690 N GLN A 169 7.199 -6.042 1.524 1.00 0.00 N ATOM 691 CA GLN A 169 8.338 -5.141 1.647 1.00 0.00 C ATOM 692 C GLN A 169 9.460 -5.552 0.698 1.00 0.00 C ATOM 693 O GLN A 169 10.208 -4.710 0.202 1.00 0.00 O ATOM 694 CB GLN A 169 8.853 -5.129 3.087 1.00 0.00 C ATOM 695 CG GLN A 169 8.014 -4.278 4.026 1.00 0.00 C ATOM 696 CD GLN A 169 8.084 -4.754 5.463 1.00 0.00 C ATOM 697 OE1 GLN A 169 9.145 -5.143 5.951 1.00 0.00 O ATOM 698 NE2 GLN A 169 6.947 -4.728 6.152 1.00 0.00 N ATOM 0 H GLN A 169 7.134 -6.742 2.263 1.00 0.00 H new ATOM 0 HA GLN A 169 8.007 -4.138 1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 169 8.880 -6.152 3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 169 9.879 -4.760 3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 169 8.353 -3.243 3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 169 6.976 -4.291 3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 169 6.090 -4.398 5.709 1.00 0.00 H new ATOM 0 HE22 GLN A 169 6.932 -5.038 7.124 1.00 0.00 H new ATOM 707 N GLN A 170 9.571 -6.853 0.449 1.00 0.00 N ATOM 708 CA GLN A 170 10.600 -7.376 -0.440 1.00 0.00 C ATOM 709 C GLN A 170 10.296 -7.023 -1.892 1.00 0.00 C ATOM 710 O GLN A 170 11.097 -6.372 -2.565 1.00 0.00 O ATOM 711 CB GLN A 170 10.713 -8.894 -0.286 1.00 0.00 C ATOM 712 CG GLN A 170 11.822 -9.510 -1.122 1.00 0.00 C ATOM 713 CD GLN A 170 11.534 -10.950 -1.504 1.00 0.00 C ATOM 714 OE1 GLN A 170 10.581 -11.232 -2.229 1.00 0.00 O ATOM 715 NE2 GLN A 170 12.359 -11.868 -1.016 1.00 0.00 N ATOM 0 H GLN A 170 8.960 -7.564 0.851 1.00 0.00 H new ATOM 0 HA GLN A 170 11.550 -6.917 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 170 10.886 -9.132 0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 170 9.763 -9.351 -0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 170 11.961 -8.919 -2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 170 12.758 -9.466 -0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 170 13.137 -11.589 -0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 170 12.215 -12.853 -1.239 1.00 0.00 H new ATOM 724 N CYS A 171 9.133 -7.454 -2.369 1.00 0.00 N ATOM 725 CA CYS A 171 8.720 -7.180 -3.741 1.00 0.00 C ATOM 726 C CYS A 171 8.360 -5.709 -3.919 1.00 0.00 C ATOM 727 O CYS A 171 8.505 -5.151 -5.008 1.00 0.00 O ATOM 728 CB CYS A 171 7.527 -8.059 -4.121 1.00 0.00 C ATOM 729 SG CYS A 171 7.477 -8.518 -5.870 1.00 0.00 S ATOM 0 H CYS A 171 8.460 -7.994 -1.826 1.00 0.00 H new ATOM 0 HA CYS A 171 9.558 -7.411 -4.399 1.00 0.00 H new ATOM 0 HB2 CYS A 171 7.552 -8.967 -3.518 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.606 -7.533 -3.868 1.00 0.00 H new ATOM 0 HG CYS A 171 6.259 -8.827 -6.203 1.00 0.00 H new ATOM 735 N SER A 172 7.891 -5.084 -2.844 1.00 0.00 N ATOM 736 CA SER A 172 7.510 -3.677 -2.881 1.00 0.00 C ATOM 737 C SER A 172 6.357 -3.450 -3.854 1.00 0.00 C ATOM 738 O SER A 172 6.307 -2.433 -4.546 1.00 0.00 O ATOM 739 CB SER A 172 8.708 -2.813 -3.280 1.00 0.00 C ATOM 740 OG SER A 172 9.847 -3.127 -2.499 1.00 0.00 O ATOM 0 H SER A 172 7.766 -5.530 -1.936 1.00 0.00 H new ATOM 0 HA SER A 172 7.180 -3.390 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 172 8.934 -2.965 -4.335 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.458 -1.759 -3.156 1.00 0.00 H new ATOM 0 HG SER A 172 9.886 -2.530 -1.723 1.00 0.00 H new ATOM 746 N ARG A 173 5.432 -4.402 -3.899 1.00 0.00 N ATOM 747 CA ARG A 173 4.279 -4.304 -4.788 1.00 0.00 C ATOM 748 C ARG A 173 3.053 -4.968 -4.166 1.00 0.00 C ATOM 749 O ARG A 173 3.176 -5.893 -3.363 1.00 0.00 O ATOM 750 CB ARG A 173 4.593 -4.949 -6.139 1.00 0.00 C ATOM 751 CG ARG A 173 4.013 -4.192 -7.322 1.00 0.00 C ATOM 752 CD ARG A 173 4.441 -4.811 -8.642 1.00 0.00 C ATOM 753 NE ARG A 173 3.854 -4.118 -9.787 1.00 0.00 N ATOM 754 CZ ARG A 173 4.312 -4.224 -11.033 1.00 0.00 C ATOM 755 NH1 ARG A 173 5.360 -4.995 -11.298 1.00 0.00 N ATOM 756 NH2 ARG A 173 3.721 -3.559 -12.015 1.00 0.00 N ATOM 0 H ARG A 173 5.457 -5.249 -3.332 1.00 0.00 H new ATOM 0 HA ARG A 173 4.059 -3.247 -4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.674 -5.018 -6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 173 4.206 -5.968 -6.145 1.00 0.00 H new ATOM 0 HG2 ARG A 173 2.925 -4.189 -7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 173 4.337 -3.152 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 173 5.528 -4.784 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 173 4.146 -5.860 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 173 3.046 -3.518 -9.622 1.00 0.00 H new ATOM 0 HH11 ARG A 173 5.818 -5.509 -10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 173 5.707 -5.073 -12.254 1.00 0.00 H new ATOM 0 HH21 ARG A 173 2.915 -2.966 -11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 173 4.072 -3.640 -12.969 1.00 0.00 H new ATOM 770 N PHE A 174 1.873 -4.490 -4.542 1.00 0.00 N ATOM 771 CA PHE A 174 0.624 -5.035 -4.024 1.00 0.00 C ATOM 772 C PHE A 174 0.346 -6.414 -4.617 1.00 0.00 C ATOM 773 O PHE A 174 0.024 -6.539 -5.798 1.00 0.00 O ATOM 774 CB PHE A 174 -0.538 -4.088 -4.334 1.00 0.00 C ATOM 775 CG PHE A 174 -0.853 -3.140 -3.212 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.022 -3.608 -1.918 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.982 -1.781 -3.451 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.311 -2.738 -0.885 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.271 -0.906 -2.422 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.437 -1.385 -1.137 1.00 0.00 C ATOM 0 H PHE A 174 1.755 -3.724 -5.205 1.00 0.00 H new ATOM 0 HA PHE A 174 0.720 -5.137 -2.943 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.299 -3.513 -5.229 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.426 -4.677 -4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.927 -4.665 -1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.855 -1.401 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.438 -3.115 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.367 0.151 -2.622 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.665 -0.703 -0.331 1.00 0.00 H new ATOM 790 N HIS A 175 0.474 -7.445 -3.788 1.00 0.00 N ATOM 791 CA HIS A 175 0.236 -8.816 -4.230 1.00 0.00 C ATOM 792 C HIS A 175 -1.006 -9.398 -3.561 1.00 0.00 C ATOM 793 O HIS A 175 -1.254 -9.160 -2.379 1.00 0.00 O ATOM 794 CB HIS A 175 1.453 -9.690 -3.921 1.00 0.00 C ATOM 795 CG HIS A 175 2.426 -9.784 -5.055 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.573 -10.916 -5.827 1.00 0.00 N ATOM 797 CD2 HIS A 175 3.303 -8.878 -5.547 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.499 -10.704 -6.745 1.00 0.00 C ATOM 799 NE2 HIS A 175 3.957 -9.475 -6.597 1.00 0.00 N ATOM 0 H HIS A 175 0.741 -7.358 -2.807 1.00 0.00 H new ATOM 0 HA HIS A 175 0.071 -8.800 -5.307 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.965 -9.289 -3.046 1.00 0.00 H new ATOM 0 HB3 HIS A 175 1.113 -10.692 -3.660 1.00 0.00 H new ATOM 0 HD1 HIS A 175 2.048 -11.783 -5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 175 3.459 -7.874 -5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 175 3.826 -11.415 -7.490 1.00 0.00 H new ATOM 807 N VAL A 176 -1.780 -10.160 -4.326 1.00 0.00 N ATOM 808 CA VAL A 176 -2.998 -10.777 -3.808 1.00 0.00 C ATOM 809 C VAL A 176 -2.706 -11.616 -2.567 1.00 0.00 C ATOM 810 O VAL A 176 -1.550 -11.881 -2.243 1.00 0.00 O ATOM 811 CB VAL A 176 -3.671 -11.667 -4.869 1.00 0.00 C ATOM 812 CG1 VAL A 176 -4.323 -10.816 -5.946 1.00 0.00 C ATOM 813 CG2 VAL A 176 -2.660 -12.628 -5.479 1.00 0.00 C ATOM 0 H VAL A 176 -1.587 -10.366 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.675 -9.965 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.450 -12.254 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -4.793 -11.463 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.078 -10.173 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -3.566 -10.200 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.153 -13.249 -6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -1.858 -12.061 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.244 -13.263 -4.697 1.00 0.00 H new ATOM 823 N LEU A 177 -3.765 -12.030 -1.879 1.00 0.00 N ATOM 824 CA LEU A 177 -3.624 -12.839 -0.674 1.00 0.00 C ATOM 825 C LEU A 177 -3.657 -14.327 -1.011 1.00 0.00 C ATOM 826 O LEU A 177 -4.412 -15.095 -0.413 1.00 0.00 O ATOM 827 CB LEU A 177 -4.734 -12.501 0.325 1.00 0.00 C ATOM 828 CG LEU A 177 -5.102 -11.020 0.408 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.466 -10.844 1.057 1.00 0.00 C ATOM 830 CD2 LEU A 177 -4.039 -10.249 1.180 1.00 0.00 C ATOM 0 H LEU A 177 -4.729 -11.819 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.659 -12.611 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.627 -13.067 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.426 -12.839 1.315 1.00 0.00 H new ATOM 0 HG LEU A 177 -5.150 -10.620 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.711 -9.783 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -7.220 -11.363 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.446 -11.260 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -4.317 -9.196 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -3.959 -10.651 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -3.079 -10.347 0.674 1.00 0.00 H new ATOM 842 N GLU A 178 -2.832 -14.729 -1.972 1.00 0.00 N ATOM 843 CA GLU A 178 -2.766 -16.126 -2.389 1.00 0.00 C ATOM 844 C GLU A 178 -1.501 -16.794 -1.860 1.00 0.00 C ATOM 845 O GLU A 178 -1.531 -17.940 -1.418 1.00 0.00 O ATOM 846 CB GLU A 178 -2.810 -16.228 -3.916 1.00 0.00 C ATOM 847 CG GLU A 178 -4.072 -15.642 -4.528 1.00 0.00 C ATOM 848 CD GLU A 178 -4.298 -16.111 -5.952 1.00 0.00 C ATOM 849 OE1 GLU A 178 -3.599 -15.612 -6.860 1.00 0.00 O ATOM 850 OE2 GLU A 178 -5.174 -16.977 -6.160 1.00 0.00 O ATOM 0 H GLU A 178 -2.200 -14.108 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 178 -3.630 -16.644 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -1.943 -15.715 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -2.729 -17.276 -4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -4.931 -15.919 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -4.008 -14.554 -4.513 1.00 0.00 H new ATOM 857 N GLU A 179 -0.393 -16.064 -1.912 1.00 0.00 N ATOM 858 CA GLU A 179 0.885 -16.582 -1.439 1.00 0.00 C ATOM 859 C GLU A 179 1.097 -16.248 0.034 1.00 0.00 C ATOM 860 O GLU A 179 1.740 -17.001 0.765 1.00 0.00 O ATOM 861 CB GLU A 179 2.032 -16.010 -2.274 1.00 0.00 C ATOM 862 CG GLU A 179 3.379 -16.647 -1.977 1.00 0.00 C ATOM 863 CD GLU A 179 4.196 -16.896 -3.229 1.00 0.00 C ATOM 864 OE1 GLU A 179 4.367 -15.950 -4.026 1.00 0.00 O ATOM 865 OE2 GLU A 179 4.668 -18.038 -3.414 1.00 0.00 O ATOM 0 H GLU A 179 -0.354 -15.112 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 179 0.871 -17.666 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.802 -16.143 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 179 2.100 -14.937 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 179 3.942 -16.001 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 179 3.223 -17.592 -1.456 1.00 0.00 H new ATOM 872 N PHE A 180 0.554 -15.114 0.461 1.00 0.00 N ATOM 873 CA PHE A 180 0.682 -14.679 1.848 1.00 0.00 C ATOM 874 C PHE A 180 -0.142 -15.567 2.774 1.00 0.00 C ATOM 875 O PHE A 180 -1.361 -15.664 2.636 1.00 0.00 O ATOM 876 CB PHE A 180 0.239 -13.221 1.990 1.00 0.00 C ATOM 877 CG PHE A 180 1.044 -12.265 1.156 1.00 0.00 C ATOM 878 CD1 PHE A 180 2.375 -12.017 1.454 1.00 0.00 C ATOM 879 CD2 PHE A 180 0.470 -11.614 0.076 1.00 0.00 C ATOM 880 CE1 PHE A 180 3.117 -11.138 0.689 1.00 0.00 C ATOM 881 CE2 PHE A 180 1.208 -10.735 -0.693 1.00 0.00 C ATOM 882 CZ PHE A 180 2.534 -10.495 -0.385 1.00 0.00 C ATOM 0 H PHE A 180 0.021 -14.479 -0.133 1.00 0.00 H new ATOM 0 HA PHE A 180 1.731 -14.762 2.134 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -0.811 -13.140 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 180 0.313 -12.928 3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 180 2.837 -12.516 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -0.566 -11.796 -0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 180 4.153 -10.954 0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 180 0.749 -10.236 -1.534 1.00 0.00 H new ATOM 0 HZ PHE A 180 3.113 -9.806 -0.983 1.00 0.00 H new ATOM 892 N ASP A 181 0.533 -16.216 3.719 1.00 0.00 N ATOM 893 CA ASP A 181 -0.137 -17.097 4.668 1.00 0.00 C ATOM 894 C ASP A 181 -0.822 -18.253 3.949 1.00 0.00 C ATOM 895 O ASP A 181 -1.995 -18.090 3.551 1.00 0.00 O ATOM 896 CB ASP A 181 -1.161 -16.313 5.490 1.00 0.00 C ATOM 897 CG ASP A 181 -0.532 -15.172 6.265 1.00 0.00 C ATOM 898 OD1 ASP A 181 -0.103 -14.186 5.628 1.00 0.00 O ATOM 899 OD2 ASP A 181 -0.466 -15.263 7.509 1.00 0.00 O ATOM 900 OXT ASP A 181 -0.181 -19.313 3.788 1.00 0.00 O ATOM 0 H ASP A 181 1.543 -16.148 3.847 1.00 0.00 H new ATOM 0 HA ASP A 181 0.618 -17.507 5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 181 -1.929 -15.917 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 181 -1.659 -16.989 6.185 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.360 3.626 2.316 1.00 0.00 ZN