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 142 TYR OH : rot 25:sc= 0.667 USER MOD Set 1.2: A 172 SER OG : rot -62:sc= 1.15 USER MOD Set 2.1: A 168 CYS SG : rot 108:sc= 1.11 USER MOD Set 2.2: A 171 CYS SG : rot 82:sc= -0.482 USER MOD Set 3.1: A 143 HIS : no HD1:sc= -3.56 K(o=-4.6,f=-1.6) USER MOD Set 3.2: A 153 SER OG : rot -110:sc= -1.07 USER MOD Single : A 126 CYS SG : rot -66:sc= 0.485 USER MOD Single : A 128 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.3!) USER MOD Single : A 131 ASN : amide:sc= -0.675 K(o=-0.67,f=-5.9!) USER MOD Single : A 137 SER OG : rot -93:sc= 0.124 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= -2.49 K(o=-2.5,f=-1.4) USER MOD Single : A 147 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00459) 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 30:sc= 0.0865 USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -5.49 K(o=-5.5,f=-7.6!) USER MOD Single : A 169 GLN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 170 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 175 HIS : no HE2:sc= -2.25 K(o=-2.2,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 3.399 14.555 -6.126 1.00 0.00 N ATOM 2 CA ALA A 124 2.426 14.158 -5.075 1.00 0.00 C ATOM 3 C ALA A 124 1.464 13.096 -5.595 1.00 0.00 C ATOM 4 O ALA A 124 0.886 13.241 -6.672 1.00 0.00 O ATOM 5 CB ALA A 124 1.655 15.374 -4.584 1.00 0.00 C ATOM 0 HA ALA A 124 2.982 13.732 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.946 15.069 -3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.351 16.102 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.115 15.823 -5.417 1.00 0.00 H new ATOM 11 N ILE A 125 1.298 12.028 -4.822 1.00 0.00 N ATOM 12 CA ILE A 125 0.405 10.941 -5.205 1.00 0.00 C ATOM 13 C ILE A 125 -0.425 10.467 -4.016 1.00 0.00 C ATOM 14 O ILE A 125 -0.021 10.619 -2.864 1.00 0.00 O ATOM 15 CB ILE A 125 1.190 9.744 -5.776 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.188 10.218 -6.833 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.236 8.716 -6.363 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.058 9.108 -7.384 1.00 0.00 C ATOM 0 H ILE A 125 1.770 11.892 -3.928 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.258 11.333 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 125 1.745 9.273 -4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.642 10.682 -7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.826 10.988 -6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.806 7.877 -6.762 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.438 8.359 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.345 9.174 -7.164 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.741 9.517 -8.128 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.631 8.658 -6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.429 8.349 -7.848 1.00 0.00 H new ATOM 30 N CYS A 126 -1.590 9.895 -4.307 1.00 0.00 N ATOM 31 CA CYS A 126 -2.479 9.400 -3.261 1.00 0.00 C ATOM 32 C CYS A 126 -2.454 7.876 -3.203 1.00 0.00 C ATOM 33 O CYS A 126 -2.028 7.215 -4.151 1.00 0.00 O ATOM 34 CB CYS A 126 -3.907 9.891 -3.506 1.00 0.00 C ATOM 35 SG CYS A 126 -4.286 11.477 -2.730 1.00 0.00 S ATOM 0 H CYS A 126 -1.940 9.763 -5.256 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.128 9.787 -2.304 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.071 9.976 -4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.606 9.141 -3.135 1.00 0.00 H new ATOM 0 HG CYS A 126 -4.261 11.345 -1.437 1.00 0.00 H new ATOM 41 N CYS A 127 -2.915 7.324 -2.086 1.00 0.00 N ATOM 42 CA CYS A 127 -2.946 5.878 -1.903 1.00 0.00 C ATOM 43 C CYS A 127 -3.810 5.211 -2.969 1.00 0.00 C ATOM 44 O CYS A 127 -4.828 5.761 -3.390 1.00 0.00 O ATOM 45 CB CYS A 127 -3.476 5.532 -0.510 1.00 0.00 C ATOM 46 SG CYS A 127 -3.209 3.810 -0.024 1.00 0.00 S ATOM 0 H CYS A 127 -3.273 7.857 -1.293 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.927 5.503 -2.001 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.997 6.183 0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.544 5.746 -0.476 1.00 0.00 H new ATOM 51 N GLN A 128 -3.396 4.025 -3.402 1.00 0.00 N ATOM 52 CA GLN A 128 -4.131 3.282 -4.421 1.00 0.00 C ATOM 53 C GLN A 128 -5.297 2.515 -3.803 1.00 0.00 C ATOM 54 O GLN A 128 -6.280 2.214 -4.480 1.00 0.00 O ATOM 55 CB GLN A 128 -3.198 2.311 -5.146 1.00 0.00 C ATOM 56 CG GLN A 128 -2.569 1.273 -4.234 1.00 0.00 C ATOM 57 CD GLN A 128 -1.704 0.283 -4.989 1.00 0.00 C ATOM 58 OE1 GLN A 128 -2.203 -0.691 -5.552 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.399 0.528 -5.002 1.00 0.00 N ATOM 0 H GLN A 128 -2.555 3.557 -3.064 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.530 3.999 -5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.757 1.801 -5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -2.407 2.879 -5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -1.965 1.776 -3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -3.356 0.734 -3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -0.029 1.348 -4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.234 -0.104 -5.493 1.00 0.00 H new ATOM 68 N VAL A 129 -5.182 2.204 -2.515 1.00 0.00 N ATOM 69 CA VAL A 129 -6.227 1.472 -1.807 1.00 0.00 C ATOM 70 C VAL A 129 -7.579 2.166 -1.949 1.00 0.00 C ATOM 71 O VAL A 129 -7.685 3.380 -1.788 1.00 0.00 O ATOM 72 CB VAL A 129 -5.886 1.321 -0.312 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.918 0.452 0.394 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.488 0.745 -0.137 1.00 0.00 C ATOM 0 H VAL A 129 -4.375 2.448 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.287 0.482 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.909 2.311 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.656 0.360 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.903 0.910 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.935 -0.537 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -4.266 0.646 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.436 -0.235 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.760 1.411 -0.600 1.00 0.00 H new ATOM 84 N ASP A 130 -8.611 1.384 -2.258 1.00 0.00 N ATOM 85 CA ASP A 130 -9.958 1.919 -2.429 1.00 0.00 C ATOM 86 C ASP A 130 -10.400 2.705 -1.198 1.00 0.00 C ATOM 87 O ASP A 130 -10.432 3.936 -1.214 1.00 0.00 O ATOM 88 CB ASP A 130 -10.947 0.785 -2.704 1.00 0.00 C ATOM 89 CG ASP A 130 -11.022 0.427 -4.175 1.00 0.00 C ATOM 90 OD1 ASP A 130 -11.552 1.242 -4.959 1.00 0.00 O ATOM 91 OD2 ASP A 130 -10.551 -0.670 -4.543 1.00 0.00 O ATOM 0 H ASP A 130 -8.539 0.376 -2.395 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.943 2.598 -3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.653 -0.096 -2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.937 1.077 -2.353 1.00 0.00 H new ATOM 96 N ASN A 131 -10.742 1.987 -0.132 1.00 0.00 N ATOM 97 CA ASN A 131 -11.183 2.617 1.105 1.00 0.00 C ATOM 98 C ASN A 131 -10.025 3.335 1.794 1.00 0.00 C ATOM 99 O ASN A 131 -9.597 2.946 2.882 1.00 0.00 O ATOM 100 CB ASN A 131 -11.784 1.571 2.048 1.00 0.00 C ATOM 101 CG ASN A 131 -12.882 0.760 1.386 1.00 0.00 C ATOM 102 OD1 ASN A 131 -12.816 0.462 0.194 1.00 0.00 O ATOM 103 ND2 ASN A 131 -13.900 0.402 2.158 1.00 0.00 N ATOM 0 H ASN A 131 -10.722 0.968 -0.102 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.947 3.354 0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -10.997 0.900 2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.185 2.069 2.931 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.669 -0.142 1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.913 0.671 3.142 1.00 0.00 H new ATOM 110 N CYS A 132 -9.519 4.384 1.153 1.00 0.00 N ATOM 111 CA CYS A 132 -8.410 5.154 1.703 1.00 0.00 C ATOM 112 C CYS A 132 -8.198 6.444 0.918 1.00 0.00 C ATOM 113 O CYS A 132 -8.070 6.423 -0.307 1.00 0.00 O ATOM 114 CB CYS A 132 -7.129 4.319 1.688 1.00 0.00 C ATOM 115 SG CYS A 132 -5.823 4.948 2.769 1.00 0.00 S ATOM 0 H CYS A 132 -9.860 4.720 0.252 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.657 5.415 2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.370 3.298 1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.750 4.274 0.667 1.00 0.00 H new ATOM 120 N GLY A 133 -8.160 7.565 1.630 1.00 0.00 N ATOM 121 CA GLY A 133 -7.961 8.849 0.984 1.00 0.00 C ATOM 122 C GLY A 133 -6.757 9.589 1.531 1.00 0.00 C ATOM 123 O GLY A 133 -6.812 10.797 1.759 1.00 0.00 O ATOM 0 H GLY A 133 -8.264 7.607 2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.835 8.698 -0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.852 9.462 1.117 1.00 0.00 H new ATOM 127 N ALA A 134 -5.666 8.860 1.745 1.00 0.00 N ATOM 128 CA ALA A 134 -4.442 9.450 2.272 1.00 0.00 C ATOM 129 C ALA A 134 -3.618 10.092 1.162 1.00 0.00 C ATOM 130 O ALA A 134 -3.932 9.949 -0.020 1.00 0.00 O ATOM 131 CB ALA A 134 -3.621 8.395 2.997 1.00 0.00 C ATOM 0 H ALA A 134 -5.605 7.859 1.561 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.720 10.231 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.709 8.848 3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.203 7.985 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.362 7.596 2.303 1.00 0.00 H new ATOM 137 N ASP A 135 -2.561 10.797 1.550 1.00 0.00 N ATOM 138 CA ASP A 135 -1.687 11.460 0.591 1.00 0.00 C ATOM 139 C ASP A 135 -0.265 10.919 0.689 1.00 0.00 C ATOM 140 O ASP A 135 0.084 10.235 1.651 1.00 0.00 O ATOM 141 CB ASP A 135 -1.687 12.972 0.827 1.00 0.00 C ATOM 142 CG ASP A 135 -1.306 13.751 -0.416 1.00 0.00 C ATOM 143 OD1 ASP A 135 -2.138 13.834 -1.343 1.00 0.00 O ATOM 144 OD2 ASP A 135 -0.175 14.279 -0.462 1.00 0.00 O ATOM 0 H ASP A 135 -2.289 10.924 2.525 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.067 11.257 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -2.677 13.285 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -0.990 13.212 1.630 1.00 0.00 H new ATOM 149 N LEU A 136 0.552 11.228 -0.312 1.00 0.00 N ATOM 150 CA LEU A 136 1.936 10.769 -0.337 1.00 0.00 C ATOM 151 C LEU A 136 2.868 11.878 -0.814 1.00 0.00 C ATOM 152 O LEU A 136 3.887 11.615 -1.454 1.00 0.00 O ATOM 153 CB LEU A 136 2.072 9.545 -1.244 1.00 0.00 C ATOM 154 CG LEU A 136 0.988 8.481 -1.061 1.00 0.00 C ATOM 155 CD1 LEU A 136 0.819 7.668 -2.335 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.326 7.574 0.111 1.00 0.00 C ATOM 0 H LEU A 136 0.280 11.794 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 136 2.221 10.493 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.062 9.878 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.044 9.086 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 136 0.044 8.983 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.044 6.916 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.532 8.329 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.760 7.176 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.545 6.823 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.280 7.080 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.397 8.168 1.022 1.00 0.00 H new ATOM 168 N SER A 137 2.514 13.119 -0.498 1.00 0.00 N ATOM 169 CA SER A 137 3.319 14.268 -0.893 1.00 0.00 C ATOM 170 C SER A 137 4.398 14.560 0.146 1.00 0.00 C ATOM 171 O SER A 137 5.481 15.039 -0.186 1.00 0.00 O ATOM 172 CB SER A 137 2.432 15.500 -1.082 1.00 0.00 C ATOM 173 OG SER A 137 2.085 16.076 0.163 1.00 0.00 O ATOM 0 H SER A 137 1.674 13.355 0.031 1.00 0.00 H new ATOM 0 HA SER A 137 3.805 14.030 -1.839 1.00 0.00 H new ATOM 0 HB2 SER A 137 2.953 16.236 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.527 15.221 -1.621 1.00 0.00 H new ATOM 0 HG SER A 137 1.225 15.714 0.463 1.00 0.00 H new ATOM 179 N LYS A 138 4.092 14.266 1.406 1.00 0.00 N ATOM 180 CA LYS A 138 5.035 14.498 2.495 1.00 0.00 C ATOM 181 C LYS A 138 6.151 13.457 2.479 1.00 0.00 C ATOM 182 O LYS A 138 7.282 13.740 2.875 1.00 0.00 O ATOM 183 CB LYS A 138 4.310 14.462 3.840 1.00 0.00 C ATOM 184 CG LYS A 138 5.193 14.841 5.018 1.00 0.00 C ATOM 185 CD LYS A 138 4.368 15.302 6.211 1.00 0.00 C ATOM 186 CE LYS A 138 4.531 14.367 7.399 1.00 0.00 C ATOM 187 NZ LYS A 138 5.813 14.602 8.119 1.00 0.00 N ATOM 0 H LYS A 138 3.200 13.867 1.698 1.00 0.00 H new ATOM 0 HA LYS A 138 5.479 15.484 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 138 3.458 15.141 3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.912 13.460 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.804 13.985 5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 138 5.878 15.635 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.671 16.310 6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 138 3.316 15.353 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 138 3.697 14.506 8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.492 13.333 7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.886 13.945 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.610 14.445 7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.840 15.581 8.469 1.00 0.00 H new ATOM 201 N VAL A 139 5.827 12.254 2.016 1.00 0.00 N ATOM 202 CA VAL A 139 6.801 11.173 1.950 1.00 0.00 C ATOM 203 C VAL A 139 7.849 11.441 0.875 1.00 0.00 C ATOM 204 O VAL A 139 7.771 12.435 0.151 1.00 0.00 O ATOM 205 CB VAL A 139 6.122 9.821 1.659 1.00 0.00 C ATOM 206 CG1 VAL A 139 5.216 9.418 2.811 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.342 9.884 0.354 1.00 0.00 C ATOM 0 H VAL A 139 4.897 12.004 1.681 1.00 0.00 H new ATOM 0 HA VAL A 139 7.286 11.127 2.925 1.00 0.00 H new ATOM 0 HB VAL A 139 6.897 9.062 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.746 8.461 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 139 5.806 9.327 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 139 4.446 10.177 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.870 8.920 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.576 10.656 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.021 10.121 -0.465 1.00 0.00 H new ATOM 217 N LYS A 140 8.831 10.550 0.777 1.00 0.00 N ATOM 218 CA LYS A 140 9.896 10.690 -0.209 1.00 0.00 C ATOM 219 C LYS A 140 9.849 9.554 -1.226 1.00 0.00 C ATOM 220 O LYS A 140 9.378 9.730 -2.349 1.00 0.00 O ATOM 221 CB LYS A 140 11.261 10.719 0.484 1.00 0.00 C ATOM 222 CG LYS A 140 11.781 12.122 0.743 1.00 0.00 C ATOM 223 CD LYS A 140 13.299 12.176 0.670 1.00 0.00 C ATOM 224 CE LYS A 140 13.876 13.095 1.735 1.00 0.00 C ATOM 225 NZ LYS A 140 15.111 12.530 2.346 1.00 0.00 N ATOM 0 H LYS A 140 8.911 9.723 1.369 1.00 0.00 H new ATOM 0 HA LYS A 140 9.747 11.631 -0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 140 11.189 10.186 1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.983 10.181 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 140 11.356 12.809 0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.451 12.458 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 140 13.706 11.173 0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 140 13.605 12.524 -0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 140 14.101 14.066 1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 140 13.131 13.263 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 15.473 13.186 3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 14.892 11.615 2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 15.832 12.393 1.609 1.00 0.00 H new ATOM 239 N ASP A 141 10.340 8.390 -0.820 1.00 0.00 N ATOM 240 CA ASP A 141 10.356 7.220 -1.692 1.00 0.00 C ATOM 241 C ASP A 141 9.829 5.991 -0.962 1.00 0.00 C ATOM 242 O ASP A 141 9.597 6.025 0.247 1.00 0.00 O ATOM 243 CB ASP A 141 11.776 6.957 -2.199 1.00 0.00 C ATOM 244 CG ASP A 141 12.203 7.950 -3.262 1.00 0.00 C ATOM 245 OD1 ASP A 141 11.502 8.057 -4.291 1.00 0.00 O ATOM 246 OD2 ASP A 141 13.239 8.620 -3.066 1.00 0.00 O ATOM 0 H ASP A 141 10.733 8.230 0.108 1.00 0.00 H new ATOM 0 HA ASP A 141 9.705 7.422 -2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 141 12.472 7.003 -1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.833 5.947 -2.605 1.00 0.00 H new ATOM 251 N TYR A 142 9.641 4.903 -1.703 1.00 0.00 N ATOM 252 CA TYR A 142 9.139 3.661 -1.126 1.00 0.00 C ATOM 253 C TYR A 142 7.759 3.868 -0.509 1.00 0.00 C ATOM 254 O TYR A 142 7.411 3.233 0.486 1.00 0.00 O ATOM 255 CB TYR A 142 10.111 3.140 -0.065 1.00 0.00 C ATOM 256 CG TYR A 142 10.243 1.632 -0.054 1.00 0.00 C ATOM 257 CD1 TYR A 142 9.279 0.837 0.553 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.331 1.006 -0.648 1.00 0.00 C ATOM 259 CE1 TYR A 142 9.396 -0.540 0.567 1.00 0.00 C ATOM 260 CE2 TYR A 142 11.455 -0.370 -0.639 1.00 0.00 C ATOM 261 CZ TYR A 142 10.486 -1.138 -0.031 1.00 0.00 C ATOM 262 OH TYR A 142 10.606 -2.509 -0.019 1.00 0.00 O ATOM 0 H TYR A 142 9.829 4.857 -2.704 1.00 0.00 H new ATOM 0 HA TYR A 142 9.054 2.925 -1.925 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.093 3.581 -0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.777 3.475 0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.424 1.302 1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 142 12.093 1.605 -1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 142 8.638 -1.145 1.043 1.00 0.00 H new ATOM 0 HE2 TYR A 142 12.307 -0.841 -1.106 1.00 0.00 H new ATOM 0 HH TYR A 142 9.718 -2.914 0.070 1.00 0.00 H new ATOM 272 N HIS A 143 6.976 4.758 -1.110 1.00 0.00 N ATOM 273 CA HIS A 143 5.634 5.048 -0.620 1.00 0.00 C ATOM 274 C HIS A 143 4.816 5.786 -1.675 1.00 0.00 C ATOM 275 O HIS A 143 3.652 5.461 -1.912 1.00 0.00 O ATOM 276 CB HIS A 143 5.704 5.880 0.661 1.00 0.00 C ATOM 277 CG HIS A 143 5.805 5.053 1.905 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.458 5.480 3.042 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.332 3.816 2.186 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.383 4.541 3.969 1.00 0.00 C ATOM 281 NE2 HIS A 143 5.705 3.522 3.475 1.00 0.00 N ATOM 0 H HIS A 143 7.248 5.290 -1.937 1.00 0.00 H new ATOM 0 HA HIS A 143 5.142 4.100 -0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 143 6.565 6.546 0.606 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.817 6.511 0.724 1.00 0.00 H new ATOM 0 HD2 HIS A 143 4.767 3.179 1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 143 6.805 4.598 4.962 1.00 0.00 H new ATOM 0 HE2 HIS A 143 5.492 2.656 3.970 1.00 0.00 H new ATOM 289 N ARG A 144 5.434 6.778 -2.308 1.00 0.00 N ATOM 290 CA ARG A 144 4.762 7.561 -3.339 1.00 0.00 C ATOM 291 C ARG A 144 4.817 6.847 -4.685 1.00 0.00 C ATOM 292 O ARG A 144 3.789 6.637 -5.330 1.00 0.00 O ATOM 293 CB ARG A 144 5.401 8.945 -3.456 1.00 0.00 C ATOM 294 CG ARG A 144 4.516 9.968 -4.148 1.00 0.00 C ATOM 295 CD ARG A 144 5.336 10.970 -4.946 1.00 0.00 C ATOM 296 NE ARG A 144 5.356 12.288 -4.314 1.00 0.00 N ATOM 297 CZ ARG A 144 6.227 13.245 -4.624 1.00 0.00 C ATOM 298 NH1 ARG A 144 7.149 13.037 -5.555 1.00 0.00 N ATOM 299 NH2 ARG A 144 6.174 14.415 -4.001 1.00 0.00 N ATOM 0 H ARG A 144 6.398 7.058 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 144 3.717 7.675 -3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 144 5.648 9.307 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.339 8.858 -4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 144 3.819 9.457 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 144 3.919 10.496 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 144 6.357 10.602 -5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 144 4.924 11.056 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 144 4.662 12.486 -3.593 1.00 0.00 H new ATOM 0 HH11 ARG A 144 7.193 12.140 -6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 144 7.814 13.775 -5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 144 5.466 14.580 -3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 144 6.841 15.149 -4.238 1.00 0.00 H new ATOM 313 N ARG A 145 6.022 6.475 -5.103 1.00 0.00 N ATOM 314 CA ARG A 145 6.210 5.783 -6.374 1.00 0.00 C ATOM 315 C ARG A 145 5.466 4.452 -6.383 1.00 0.00 C ATOM 316 O ARG A 145 4.998 3.997 -7.427 1.00 0.00 O ATOM 317 CB ARG A 145 7.701 5.553 -6.636 1.00 0.00 C ATOM 318 CG ARG A 145 8.325 6.593 -7.554 1.00 0.00 C ATOM 319 CD ARG A 145 9.842 6.591 -7.449 1.00 0.00 C ATOM 320 NE ARG A 145 10.479 6.694 -8.760 1.00 0.00 N ATOM 321 CZ ARG A 145 10.493 5.710 -9.657 1.00 0.00 C ATOM 322 NH1 ARG A 145 9.909 4.550 -9.389 1.00 0.00 N ATOM 323 NH2 ARG A 145 11.095 5.888 -10.826 1.00 0.00 N ATOM 0 H ARG A 145 6.883 6.641 -4.581 1.00 0.00 H new ATOM 0 HA ARG A 145 5.802 6.410 -7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.233 5.554 -5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 145 7.836 4.565 -7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 145 8.030 6.394 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 145 7.943 7.581 -7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 145 10.164 7.423 -6.823 1.00 0.00 H new ATOM 0 HD3 ARG A 145 10.171 5.676 -6.957 1.00 0.00 H new ATOM 0 HE ARG A 145 10.940 7.571 -9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 145 9.446 4.408 -8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 145 9.923 3.800 -10.080 1.00 0.00 H new ATOM 0 HH21 ARG A 145 11.547 6.778 -11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 145 11.106 5.135 -11.514 1.00 0.00 H new ATOM 337 N HIS A 146 5.361 3.830 -5.213 1.00 0.00 N ATOM 338 CA HIS A 146 4.673 2.551 -5.086 1.00 0.00 C ATOM 339 C HIS A 146 3.169 2.746 -4.898 1.00 0.00 C ATOM 340 O HIS A 146 2.394 1.797 -5.013 1.00 0.00 O ATOM 341 CB HIS A 146 5.244 1.757 -3.909 1.00 0.00 C ATOM 342 CG HIS A 146 6.701 1.443 -4.051 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.512 1.132 -2.980 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.493 1.390 -5.148 1.00 0.00 C ATOM 345 CE1 HIS A 146 8.740 0.905 -3.412 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.755 1.053 -4.723 1.00 0.00 N ATOM 0 H HIS A 146 5.744 4.191 -4.339 1.00 0.00 H new ATOM 0 HA HIS A 146 4.833 1.994 -6.009 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.090 2.323 -2.990 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.688 0.825 -3.806 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.189 1.578 -6.167 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.588 0.643 -2.796 1.00 0.00 H new ATOM 0 HE2 HIS A 146 9.571 0.936 -5.323 1.00 0.00 H new ATOM 354 N LYS A 147 2.760 3.980 -4.605 1.00 0.00 N ATOM 355 CA LYS A 147 1.349 4.290 -4.401 1.00 0.00 C ATOM 356 C LYS A 147 0.793 3.533 -3.200 1.00 0.00 C ATOM 357 O LYS A 147 0.146 2.498 -3.351 1.00 0.00 O ATOM 358 CB LYS A 147 0.540 3.948 -5.654 1.00 0.00 C ATOM 359 CG LYS A 147 0.961 4.736 -6.884 1.00 0.00 C ATOM 360 CD LYS A 147 1.694 3.859 -7.886 1.00 0.00 C ATOM 361 CE LYS A 147 0.742 3.283 -8.923 1.00 0.00 C ATOM 362 NZ LYS A 147 0.118 2.012 -8.462 1.00 0.00 N ATOM 0 H LYS A 147 3.386 4.779 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 147 1.264 5.359 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.642 2.883 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.516 4.135 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.081 5.172 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 147 1.604 5.563 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 147 2.467 4.443 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 147 2.197 3.047 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 147 -0.039 4.011 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 147 1.283 3.105 -9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 -0.510 1.644 -9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 0.862 1.313 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 -0.434 2.189 -7.598 1.00 0.00 H new ATOM 376 N VAL A 148 1.051 4.059 -2.008 1.00 0.00 N ATOM 377 CA VAL A 148 0.578 3.438 -0.777 1.00 0.00 C ATOM 378 C VAL A 148 1.010 4.248 0.443 1.00 0.00 C ATOM 379 O VAL A 148 2.179 4.606 0.579 1.00 0.00 O ATOM 380 CB VAL A 148 1.099 1.993 -0.637 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.620 1.971 -0.605 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.522 1.331 0.605 1.00 0.00 C ATOM 0 H VAL A 148 1.586 4.916 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.511 3.415 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 148 0.770 1.425 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.967 0.942 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.010 2.398 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.975 2.557 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.902 0.313 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.815 1.898 1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.565 1.308 0.533 1.00 0.00 H new ATOM 392 N CYS A 149 0.057 4.537 1.324 1.00 0.00 N ATOM 393 CA CYS A 149 0.342 5.307 2.529 1.00 0.00 C ATOM 394 C CYS A 149 1.230 4.514 3.487 1.00 0.00 C ATOM 395 O CYS A 149 1.733 3.446 3.139 1.00 0.00 O ATOM 396 CB CYS A 149 -0.965 5.715 3.217 1.00 0.00 C ATOM 397 SG CYS A 149 -1.968 4.327 3.800 1.00 0.00 S ATOM 0 H CYS A 149 -0.917 4.250 1.226 1.00 0.00 H new ATOM 0 HA CYS A 149 0.882 6.209 2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.730 6.359 4.065 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.558 6.309 2.521 1.00 0.00 H new ATOM 402 N GLU A 150 1.425 5.047 4.690 1.00 0.00 N ATOM 403 CA GLU A 150 2.261 4.392 5.696 1.00 0.00 C ATOM 404 C GLU A 150 1.478 3.352 6.497 1.00 0.00 C ATOM 405 O GLU A 150 1.977 2.813 7.484 1.00 0.00 O ATOM 406 CB GLU A 150 2.852 5.434 6.644 1.00 0.00 C ATOM 407 CG GLU A 150 4.155 6.042 6.150 1.00 0.00 C ATOM 408 CD GLU A 150 5.267 5.956 7.176 1.00 0.00 C ATOM 409 OE1 GLU A 150 5.507 4.847 7.699 1.00 0.00 O ATOM 410 OE2 GLU A 150 5.896 6.997 7.458 1.00 0.00 O ATOM 0 H GLU A 150 1.016 5.931 4.994 1.00 0.00 H new ATOM 0 HA GLU A 150 3.063 3.875 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.123 6.231 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.023 4.972 7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 150 4.467 5.532 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 150 3.987 7.087 5.889 1.00 0.00 H new ATOM 417 N ILE A 151 0.251 3.073 6.070 1.00 0.00 N ATOM 418 CA ILE A 151 -0.597 2.100 6.745 1.00 0.00 C ATOM 419 C ILE A 151 -0.661 0.792 5.964 1.00 0.00 C ATOM 420 O ILE A 151 -0.168 -0.240 6.418 1.00 0.00 O ATOM 421 CB ILE A 151 -2.028 2.643 6.936 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.989 4.025 7.592 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.860 1.678 7.768 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.316 4.032 8.946 1.00 0.00 C ATOM 0 H ILE A 151 -0.179 3.510 5.255 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.152 1.914 7.723 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.496 2.739 5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.466 4.717 6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -3.008 4.396 7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.866 2.078 7.892 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.913 0.714 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.398 1.549 8.747 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.325 5.044 9.351 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.852 3.366 9.622 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.286 3.692 8.842 1.00 0.00 H new ATOM 436 N HIS A 152 -1.275 0.843 4.785 1.00 0.00 N ATOM 437 CA HIS A 152 -1.403 -0.337 3.938 1.00 0.00 C ATOM 438 C HIS A 152 -0.034 -0.861 3.512 1.00 0.00 C ATOM 439 O HIS A 152 0.106 -2.026 3.142 1.00 0.00 O ATOM 440 CB HIS A 152 -2.248 -0.014 2.702 1.00 0.00 C ATOM 441 CG HIS A 152 -3.678 0.288 3.019 1.00 0.00 C ATOM 442 ND1 HIS A 152 -4.229 1.547 2.900 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.678 -0.515 3.458 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.502 1.507 3.253 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.799 0.267 3.594 1.00 0.00 N ATOM 0 H HIS A 152 -1.691 1.689 4.395 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.900 -1.114 4.518 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.810 0.840 2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -2.207 -0.858 2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.607 -1.573 3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -6.183 2.345 3.261 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.713 -0.058 3.908 1.00 0.00 H new ATOM 452 N SER A 153 0.974 0.005 3.569 1.00 0.00 N ATOM 453 CA SER A 153 2.331 -0.375 3.190 1.00 0.00 C ATOM 454 C SER A 153 2.828 -1.546 4.035 1.00 0.00 C ATOM 455 O SER A 153 3.664 -2.332 3.593 1.00 0.00 O ATOM 456 CB SER A 153 3.278 0.818 3.338 1.00 0.00 C ATOM 457 OG SER A 153 3.659 1.327 2.073 1.00 0.00 O ATOM 0 H SER A 153 0.877 0.974 3.874 1.00 0.00 H new ATOM 0 HA SER A 153 2.315 -0.688 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 153 2.791 1.603 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 153 4.165 0.515 3.894 1.00 0.00 H new ATOM 0 HG SER A 153 4.605 1.127 1.911 1.00 0.00 H new ATOM 463 N LYS A 154 2.305 -1.656 5.253 1.00 0.00 N ATOM 464 CA LYS A 154 2.696 -2.731 6.158 1.00 0.00 C ATOM 465 C LYS A 154 1.484 -3.282 6.900 1.00 0.00 C ATOM 466 O LYS A 154 1.593 -3.729 8.042 1.00 0.00 O ATOM 467 CB LYS A 154 3.739 -2.231 7.159 1.00 0.00 C ATOM 468 CG LYS A 154 5.155 -2.213 6.605 1.00 0.00 C ATOM 469 CD LYS A 154 6.146 -2.829 7.581 1.00 0.00 C ATOM 470 CE LYS A 154 6.838 -1.763 8.417 1.00 0.00 C ATOM 471 NZ LYS A 154 7.542 -2.349 9.590 1.00 0.00 N ATOM 0 H LYS A 154 1.610 -1.014 5.635 1.00 0.00 H new ATOM 0 HA LYS A 154 3.132 -3.534 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.470 -1.224 7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.713 -2.865 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.184 -2.759 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.448 -1.186 6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 154 5.626 -3.527 8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 154 6.892 -3.403 7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.553 -1.223 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 154 6.102 -1.037 8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 8.001 -1.591 10.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 6.856 -2.843 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 8.262 -3.023 9.261 1.00 0.00 H new ATOM 485 N ALA A 155 0.329 -3.249 6.244 1.00 0.00 N ATOM 486 CA ALA A 155 -0.904 -3.745 6.842 1.00 0.00 C ATOM 487 C ALA A 155 -1.117 -5.221 6.522 1.00 0.00 C ATOM 488 O ALA A 155 -0.248 -5.869 5.935 1.00 0.00 O ATOM 489 CB ALA A 155 -2.091 -2.924 6.361 1.00 0.00 C ATOM 0 H ALA A 155 0.221 -2.884 5.298 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.819 -3.644 7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -3.005 -3.305 6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.952 -1.881 6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -2.168 -2.996 5.276 1.00 0.00 H new ATOM 495 N THR A 156 -2.272 -5.746 6.911 1.00 0.00 N ATOM 496 CA THR A 156 -2.598 -7.146 6.664 1.00 0.00 C ATOM 497 C THR A 156 -3.525 -7.293 5.463 1.00 0.00 C ATOM 498 O THR A 156 -3.351 -8.190 4.638 1.00 0.00 O ATOM 499 CB THR A 156 -3.263 -7.793 7.893 1.00 0.00 C ATOM 500 OG1 THR A 156 -2.795 -7.166 9.093 1.00 0.00 O ATOM 501 CG2 THR A 156 -2.967 -9.284 7.948 1.00 0.00 C ATOM 0 H THR A 156 -2.999 -5.224 7.399 1.00 0.00 H new ATOM 0 HA THR A 156 -1.657 -7.657 6.457 1.00 0.00 H new ATOM 0 HB THR A 156 -4.341 -7.655 7.807 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.225 -7.583 9.869 1.00 0.00 H new ATOM 0 HG21 THR A 156 -3.447 -9.718 8.825 1.00 0.00 H new ATOM 0 HG22 THR A 156 -3.351 -9.765 7.048 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.890 -9.439 8.010 1.00 0.00 H new ATOM 509 N THR A 157 -4.511 -6.406 5.371 1.00 0.00 N ATOM 510 CA THR A 157 -5.467 -6.438 4.272 1.00 0.00 C ATOM 511 C THR A 157 -5.635 -5.056 3.649 1.00 0.00 C ATOM 512 O THR A 157 -5.799 -4.061 4.356 1.00 0.00 O ATOM 513 CB THR A 157 -6.844 -6.949 4.736 1.00 0.00 C ATOM 514 OG1 THR A 157 -7.398 -6.052 5.704 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.727 -8.343 5.336 1.00 0.00 C ATOM 0 H THR A 157 -4.668 -5.657 6.045 1.00 0.00 H new ATOM 0 HA THR A 157 -5.066 -7.125 3.527 1.00 0.00 H new ATOM 0 HB THR A 157 -7.502 -6.997 3.869 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.082 -5.142 5.525 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.711 -8.685 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.331 -9.029 4.587 1.00 0.00 H new ATOM 0 HG23 THR A 157 -6.055 -8.315 6.194 1.00 0.00 H new ATOM 523 N ALA A 158 -5.595 -5.001 2.322 1.00 0.00 N ATOM 524 CA ALA A 158 -5.745 -3.741 1.603 1.00 0.00 C ATOM 525 C ALA A 158 -6.712 -3.889 0.433 1.00 0.00 C ATOM 526 O ALA A 158 -6.457 -4.644 -0.504 1.00 0.00 O ATOM 527 CB ALA A 158 -4.391 -3.251 1.112 1.00 0.00 C ATOM 0 H ALA A 158 -5.460 -5.815 1.722 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.159 -3.004 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.517 -2.310 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.728 -3.098 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -3.956 -3.993 0.443 1.00 0.00 H new ATOM 533 N LEU A 159 -7.825 -3.163 0.496 1.00 0.00 N ATOM 534 CA LEU A 159 -8.831 -3.215 -0.558 1.00 0.00 C ATOM 535 C LEU A 159 -8.357 -2.471 -1.804 1.00 0.00 C ATOM 536 O LEU A 159 -8.382 -1.241 -1.851 1.00 0.00 O ATOM 537 CB LEU A 159 -10.148 -2.616 -0.062 1.00 0.00 C ATOM 538 CG LEU A 159 -11.410 -3.312 -0.577 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.426 -3.333 -2.097 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.502 -4.726 -0.021 1.00 0.00 C ATOM 0 H LEU A 159 -8.052 -2.533 1.265 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.990 -4.260 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.155 -2.644 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.185 -1.567 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.278 -2.750 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -12.331 -3.832 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.407 -2.311 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.552 -3.871 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.405 -5.207 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.629 -5.298 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.538 -4.687 1.068 1.00 0.00 H new ATOM 552 N VAL A 160 -7.926 -3.225 -2.809 1.00 0.00 N ATOM 553 CA VAL A 160 -7.448 -2.635 -4.056 1.00 0.00 C ATOM 554 C VAL A 160 -8.033 -3.361 -5.263 1.00 0.00 C ATOM 555 O VAL A 160 -7.765 -4.542 -5.479 1.00 0.00 O ATOM 556 CB VAL A 160 -5.909 -2.673 -4.147 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.418 -1.739 -5.242 1.00 0.00 C ATOM 558 CG2 VAL A 160 -5.280 -2.314 -2.809 1.00 0.00 C ATOM 0 H VAL A 160 -7.897 -4.244 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.778 -1.596 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.605 -3.689 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -4.330 -1.778 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.837 -2.049 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.735 -0.720 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -4.194 -2.347 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.590 -1.310 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.605 -3.027 -2.051 1.00 0.00 H new ATOM 568 N GLY A 161 -8.833 -2.645 -6.046 1.00 0.00 N ATOM 569 CA GLY A 161 -9.442 -3.238 -7.222 1.00 0.00 C ATOM 570 C GLY A 161 -10.490 -4.276 -6.871 1.00 0.00 C ATOM 571 O GLY A 161 -10.629 -5.285 -7.563 1.00 0.00 O ATOM 0 H GLY A 161 -9.070 -1.666 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.899 -2.454 -7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.668 -3.700 -7.834 1.00 0.00 H new ATOM 575 N GLY A 162 -11.228 -4.028 -5.794 1.00 0.00 N ATOM 576 CA GLY A 162 -12.259 -4.958 -5.372 1.00 0.00 C ATOM 577 C GLY A 162 -11.687 -6.252 -4.825 1.00 0.00 C ATOM 578 O GLY A 162 -12.343 -7.292 -4.863 1.00 0.00 O ATOM 0 H GLY A 162 -11.131 -3.200 -5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.878 -4.487 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.910 -5.181 -6.217 1.00 0.00 H new ATOM 582 N ILE A 163 -10.460 -6.187 -4.317 1.00 0.00 N ATOM 583 CA ILE A 163 -9.800 -7.364 -3.761 1.00 0.00 C ATOM 584 C ILE A 163 -8.818 -6.973 -2.662 1.00 0.00 C ATOM 585 O ILE A 163 -8.365 -5.829 -2.598 1.00 0.00 O ATOM 586 CB ILE A 163 -9.050 -8.156 -4.847 1.00 0.00 C ATOM 587 CG1 ILE A 163 -9.955 -8.388 -6.058 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.551 -9.481 -4.287 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.300 -9.194 -7.159 1.00 0.00 C ATOM 0 H ILE A 163 -9.903 -5.333 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.582 -7.996 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.187 -7.573 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.859 -8.902 -5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.264 -7.423 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.023 -10.030 -5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -7.874 -9.292 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.399 -10.071 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.001 -9.319 -7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.411 -8.672 -7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -9.016 -10.173 -6.773 1.00 0.00 H new ATOM 601 N MET A 164 -8.490 -7.931 -1.800 1.00 0.00 N ATOM 602 CA MET A 164 -7.561 -7.686 -0.704 1.00 0.00 C ATOM 603 C MET A 164 -6.164 -8.190 -1.052 1.00 0.00 C ATOM 604 O MET A 164 -6.011 -9.173 -1.776 1.00 0.00 O ATOM 605 CB MET A 164 -8.057 -8.364 0.575 1.00 0.00 C ATOM 606 CG MET A 164 -8.944 -7.474 1.429 1.00 0.00 C ATOM 607 SD MET A 164 -9.947 -8.412 2.599 1.00 0.00 S ATOM 608 CE MET A 164 -11.329 -7.296 2.829 1.00 0.00 C ATOM 0 H MET A 164 -8.854 -8.883 -1.840 1.00 0.00 H new ATOM 0 HA MET A 164 -7.509 -6.610 -0.539 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.609 -9.265 0.308 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.197 -8.680 1.166 1.00 0.00 H new ATOM 0 HG2 MET A 164 -8.322 -6.765 1.976 1.00 0.00 H new ATOM 0 HG3 MET A 164 -9.598 -6.891 0.781 1.00 0.00 H new ATOM 0 HE1 MET A 164 -12.039 -7.736 3.529 1.00 0.00 H new ATOM 0 HE2 MET A 164 -10.968 -6.347 3.226 1.00 0.00 H new ATOM 0 HE3 MET A 164 -11.822 -7.125 1.872 1.00 0.00 H new ATOM 618 N GLN A 165 -5.148 -7.509 -0.533 1.00 0.00 N ATOM 619 CA GLN A 165 -3.764 -7.887 -0.788 1.00 0.00 C ATOM 620 C GLN A 165 -2.871 -7.518 0.392 1.00 0.00 C ATOM 621 O GLN A 165 -3.344 -6.993 1.401 1.00 0.00 O ATOM 622 CB GLN A 165 -3.253 -7.205 -2.059 1.00 0.00 C ATOM 623 CG GLN A 165 -3.543 -5.715 -2.109 1.00 0.00 C ATOM 624 CD GLN A 165 -3.904 -5.238 -3.502 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.312 -4.293 -4.020 1.00 0.00 O ATOM 626 NE2 GLN A 165 -4.883 -5.892 -4.115 1.00 0.00 N ATOM 0 H GLN A 165 -5.258 -6.692 0.067 1.00 0.00 H new ATOM 0 HA GLN A 165 -3.729 -8.968 -0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.177 -7.360 -2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -3.707 -7.684 -2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -4.361 -5.485 -1.427 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -2.670 -5.167 -1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -5.347 -6.671 -3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -5.171 -5.616 -5.054 1.00 0.00 H new ATOM 635 N ARG A 166 -1.579 -7.795 0.259 1.00 0.00 N ATOM 636 CA ARG A 166 -0.618 -7.492 1.313 1.00 0.00 C ATOM 637 C ARG A 166 0.671 -6.927 0.727 1.00 0.00 C ATOM 638 O ARG A 166 1.297 -7.546 -0.132 1.00 0.00 O ATOM 639 CB ARG A 166 -0.314 -8.748 2.131 1.00 0.00 C ATOM 640 CG ARG A 166 0.358 -8.460 3.463 1.00 0.00 C ATOM 641 CD ARG A 166 0.777 -9.742 4.166 1.00 0.00 C ATOM 642 NE ARG A 166 0.847 -9.574 5.614 1.00 0.00 N ATOM 643 CZ ARG A 166 1.849 -8.962 6.241 1.00 0.00 C ATOM 644 NH1 ARG A 166 2.866 -8.460 5.552 1.00 0.00 N ATOM 645 NH2 ARG A 166 1.835 -8.852 7.562 1.00 0.00 N ATOM 0 H ARG A 166 -1.172 -8.229 -0.569 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.058 -6.739 1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -1.244 -9.287 2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.327 -9.406 1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 166 1.233 -7.830 3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -0.324 -7.900 4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 166 0.068 -10.535 3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 166 1.750 -10.060 3.791 1.00 0.00 H new ATOM 0 HE ARG A 166 0.084 -9.947 6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 166 2.883 -8.542 4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 166 3.631 -7.992 6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 166 1.057 -9.236 8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 166 2.603 -8.383 8.043 1.00 0.00 H new ATOM 659 N PHE A 167 1.062 -5.748 1.197 1.00 0.00 N ATOM 660 CA PHE A 167 2.278 -5.098 0.720 1.00 0.00 C ATOM 661 C PHE A 167 3.514 -5.887 1.135 1.00 0.00 C ATOM 662 O PHE A 167 3.839 -5.975 2.319 1.00 0.00 O ATOM 663 CB PHE A 167 2.363 -3.670 1.260 1.00 0.00 C ATOM 664 CG PHE A 167 3.548 -2.902 0.747 1.00 0.00 C ATOM 665 CD1 PHE A 167 4.827 -3.198 1.188 1.00 0.00 C ATOM 666 CD2 PHE A 167 3.382 -1.882 -0.177 1.00 0.00 C ATOM 667 CE1 PHE A 167 5.919 -2.494 0.719 1.00 0.00 C ATOM 668 CE2 PHE A 167 4.471 -1.176 -0.652 1.00 0.00 C ATOM 669 CZ PHE A 167 5.741 -1.481 -0.203 1.00 0.00 C ATOM 0 H PHE A 167 0.555 -5.222 1.908 1.00 0.00 H new ATOM 0 HA PHE A 167 2.240 -5.064 -0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.451 -3.135 0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.406 -3.704 2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 167 4.973 -3.990 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 167 2.391 -1.636 -0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 167 6.911 -2.735 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 167 4.329 -0.386 -1.374 1.00 0.00 H new ATOM 0 HZ PHE A 167 6.593 -0.929 -0.572 1.00 0.00 H new ATOM 679 N CYS A 168 4.200 -6.462 0.152 1.00 0.00 N ATOM 680 CA CYS A 168 5.402 -7.246 0.415 1.00 0.00 C ATOM 681 C CYS A 168 6.634 -6.348 0.481 1.00 0.00 C ATOM 682 O CYS A 168 6.680 -5.292 -0.152 1.00 0.00 O ATOM 683 CB CYS A 168 5.590 -8.309 -0.668 1.00 0.00 C ATOM 684 SG CYS A 168 6.260 -9.872 -0.059 1.00 0.00 S ATOM 0 H CYS A 168 3.944 -6.400 -0.833 1.00 0.00 H new ATOM 0 HA CYS A 168 5.280 -7.738 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.629 -8.500 -1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.255 -7.916 -1.436 1.00 0.00 H new ATOM 0 HG CYS A 168 5.328 -10.778 -0.073 1.00 0.00 H new ATOM 690 N GLN A 169 7.631 -6.776 1.249 1.00 0.00 N ATOM 691 CA GLN A 169 8.864 -6.010 1.395 1.00 0.00 C ATOM 692 C GLN A 169 9.754 -6.173 0.167 1.00 0.00 C ATOM 693 O GLN A 169 10.272 -5.193 -0.370 1.00 0.00 O ATOM 694 CB GLN A 169 9.619 -6.456 2.649 1.00 0.00 C ATOM 695 CG GLN A 169 9.197 -5.718 3.909 1.00 0.00 C ATOM 696 CD GLN A 169 8.299 -6.551 4.801 1.00 0.00 C ATOM 697 OE1 GLN A 169 8.692 -6.951 5.896 1.00 0.00 O ATOM 698 NE2 GLN A 169 7.084 -6.818 4.334 1.00 0.00 N ATOM 0 H GLN A 169 7.610 -7.647 1.779 1.00 0.00 H new ATOM 0 HA GLN A 169 8.600 -4.957 1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.464 -7.525 2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.687 -6.307 2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 169 10.085 -5.424 4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 169 8.677 -4.801 3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 169 6.800 -6.466 3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 169 6.435 -7.375 4.890 1.00 0.00 H new ATOM 707 N GLN A 170 9.927 -7.415 -0.272 1.00 0.00 N ATOM 708 CA GLN A 170 10.754 -7.705 -1.436 1.00 0.00 C ATOM 709 C GLN A 170 10.096 -7.188 -2.712 1.00 0.00 C ATOM 710 O GLN A 170 10.762 -6.626 -3.582 1.00 0.00 O ATOM 711 CB GLN A 170 11.002 -9.209 -1.551 1.00 0.00 C ATOM 712 CG GLN A 170 12.196 -9.693 -0.742 1.00 0.00 C ATOM 713 CD GLN A 170 12.957 -10.805 -1.436 1.00 0.00 C ATOM 714 OE1 GLN A 170 14.105 -10.625 -1.846 1.00 0.00 O ATOM 715 NE2 GLN A 170 12.323 -11.963 -1.570 1.00 0.00 N ATOM 0 H GLN A 170 9.505 -8.237 0.161 1.00 0.00 H new ATOM 0 HA GLN A 170 11.709 -7.196 -1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 170 10.110 -9.742 -1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 170 11.157 -9.464 -2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 170 12.870 -8.856 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 170 11.853 -10.045 0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 170 11.372 -12.068 -1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 170 12.786 -12.748 -2.027 1.00 0.00 H new ATOM 724 N CYS A 171 8.785 -7.382 -2.815 1.00 0.00 N ATOM 725 CA CYS A 171 8.036 -6.935 -3.983 1.00 0.00 C ATOM 726 C CYS A 171 7.892 -5.416 -3.991 1.00 0.00 C ATOM 727 O CYS A 171 7.819 -4.795 -5.052 1.00 0.00 O ATOM 728 CB CYS A 171 6.652 -7.589 -4.007 1.00 0.00 C ATOM 729 SG CYS A 171 6.673 -9.370 -3.696 1.00 0.00 S ATOM 0 H CYS A 171 8.220 -7.846 -2.104 1.00 0.00 H new ATOM 0 HA CYS A 171 8.589 -7.234 -4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.021 -7.108 -3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.192 -7.406 -4.978 1.00 0.00 H new ATOM 0 HG CYS A 171 6.724 -9.586 -2.415 1.00 0.00 H new ATOM 735 N SER A 172 7.854 -4.824 -2.801 1.00 0.00 N ATOM 736 CA SER A 172 7.720 -3.377 -2.672 1.00 0.00 C ATOM 737 C SER A 172 6.403 -2.896 -3.274 1.00 0.00 C ATOM 738 O SER A 172 6.310 -1.772 -3.768 1.00 0.00 O ATOM 739 CB SER A 172 8.893 -2.671 -3.352 1.00 0.00 C ATOM 740 OG SER A 172 10.123 -3.017 -2.739 1.00 0.00 O ATOM 0 H SER A 172 7.914 -5.323 -1.914 1.00 0.00 H new ATOM 0 HA SER A 172 7.724 -3.131 -1.610 1.00 0.00 H new ATOM 0 HB2 SER A 172 8.921 -2.941 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.750 -1.592 -3.303 1.00 0.00 H new ATOM 0 HG SER A 172 10.119 -2.718 -1.806 1.00 0.00 H new ATOM 746 N ARG A 173 5.389 -3.754 -3.229 1.00 0.00 N ATOM 747 CA ARG A 173 4.078 -3.415 -3.771 1.00 0.00 C ATOM 748 C ARG A 173 3.082 -4.545 -3.529 1.00 0.00 C ATOM 749 O ARG A 173 3.470 -5.685 -3.273 1.00 0.00 O ATOM 750 CB ARG A 173 4.180 -3.122 -5.268 1.00 0.00 C ATOM 751 CG ARG A 173 4.607 -4.323 -6.096 1.00 0.00 C ATOM 752 CD ARG A 173 5.324 -3.899 -7.367 1.00 0.00 C ATOM 753 NE ARG A 173 4.866 -4.652 -8.532 1.00 0.00 N ATOM 754 CZ ARG A 173 3.654 -4.527 -9.066 1.00 0.00 C ATOM 755 NH1 ARG A 173 2.774 -3.679 -8.545 1.00 0.00 N ATOM 756 NH2 ARG A 173 3.317 -5.250 -10.126 1.00 0.00 N ATOM 0 H ARG A 173 5.450 -4.688 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 173 3.721 -2.522 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 173 3.213 -2.769 -5.627 1.00 0.00 H new ATOM 0 HB3 ARG A 173 4.893 -2.312 -5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 173 5.263 -4.960 -5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 173 3.731 -4.919 -6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 173 5.162 -2.835 -7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 173 6.397 -4.042 -7.242 1.00 0.00 H new ATOM 0 HE ARG A 173 5.514 -5.313 -8.961 1.00 0.00 H new ATOM 0 HH11 ARG A 173 3.026 -3.119 -7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 173 1.846 -3.588 -8.959 1.00 0.00 H new ATOM 0 HH21 ARG A 173 3.987 -5.903 -10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 173 2.387 -5.153 -10.535 1.00 0.00 H new ATOM 770 N PHE A 174 1.795 -4.221 -3.614 1.00 0.00 N ATOM 771 CA PHE A 174 0.743 -5.209 -3.407 1.00 0.00 C ATOM 772 C PHE A 174 0.856 -6.343 -4.422 1.00 0.00 C ATOM 773 O PHE A 174 1.432 -6.172 -5.495 1.00 0.00 O ATOM 774 CB PHE A 174 -0.632 -4.548 -3.512 1.00 0.00 C ATOM 775 CG PHE A 174 -0.823 -3.404 -2.557 1.00 0.00 C ATOM 776 CD1 PHE A 174 -0.803 -3.613 -1.188 1.00 0.00 C ATOM 777 CD2 PHE A 174 -1.024 -2.117 -3.032 1.00 0.00 C ATOM 778 CE1 PHE A 174 -0.979 -2.561 -0.310 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.201 -1.060 -2.158 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.178 -1.282 -0.795 1.00 0.00 C ATOM 0 H PHE A 174 1.456 -3.282 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 174 0.861 -5.628 -2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.776 -4.188 -4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.401 -5.297 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.648 -4.610 -0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -1.043 -1.938 -4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -0.961 -2.738 0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.357 -0.062 -2.541 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.315 -0.458 -0.110 1.00 0.00 H new ATOM 790 N HIS A 175 0.303 -7.502 -4.076 1.00 0.00 N ATOM 791 CA HIS A 175 0.344 -8.661 -4.959 1.00 0.00 C ATOM 792 C HIS A 175 -0.670 -9.717 -4.528 1.00 0.00 C ATOM 793 O HIS A 175 -0.385 -10.913 -4.552 1.00 0.00 O ATOM 794 CB HIS A 175 1.751 -9.266 -4.973 1.00 0.00 C ATOM 795 CG HIS A 175 2.660 -8.636 -5.982 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.596 -8.915 -7.331 1.00 0.00 N ATOM 797 CD2 HIS A 175 3.663 -7.737 -5.833 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.518 -8.215 -7.968 1.00 0.00 C ATOM 799 NE2 HIS A 175 4.179 -7.493 -7.082 1.00 0.00 N ATOM 0 H HIS A 175 -0.178 -7.662 -3.191 1.00 0.00 H new ATOM 0 HA HIS A 175 0.086 -8.327 -5.964 1.00 0.00 H new ATOM 0 HB2 HIS A 175 2.193 -9.162 -3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 175 1.677 -10.334 -5.178 1.00 0.00 H new ATOM 0 HD1 HIS A 175 1.939 -9.561 -7.769 1.00 0.00 H new ATOM 0 HD2 HIS A 175 3.995 -7.295 -4.905 1.00 0.00 H new ATOM 0 HE1 HIS A 175 3.700 -8.231 -9.032 1.00 0.00 H new ATOM 807 N VAL A 176 -1.859 -9.264 -4.139 1.00 0.00 N ATOM 808 CA VAL A 176 -2.916 -10.171 -3.707 1.00 0.00 C ATOM 809 C VAL A 176 -2.485 -10.974 -2.484 1.00 0.00 C ATOM 810 O VAL A 176 -1.294 -11.179 -2.250 1.00 0.00 O ATOM 811 CB VAL A 176 -3.313 -11.150 -4.830 1.00 0.00 C ATOM 812 CG1 VAL A 176 -4.536 -11.960 -4.427 1.00 0.00 C ATOM 813 CG2 VAL A 176 -3.566 -10.400 -6.130 1.00 0.00 C ATOM 0 H VAL A 176 -2.113 -8.277 -4.114 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.776 -9.552 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.486 -11.841 -4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -4.800 -12.645 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -4.314 -12.530 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -5.371 -11.287 -4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.845 -11.108 -6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -4.374 -9.683 -5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.660 -9.871 -6.427 1.00 0.00 H new ATOM 823 N LEU A 177 -3.463 -11.426 -1.706 1.00 0.00 N ATOM 824 CA LEU A 177 -3.185 -12.209 -0.507 1.00 0.00 C ATOM 825 C LEU A 177 -2.844 -13.651 -0.869 1.00 0.00 C ATOM 826 O LEU A 177 -3.613 -14.572 -0.595 1.00 0.00 O ATOM 827 CB LEU A 177 -4.387 -12.176 0.439 1.00 0.00 C ATOM 828 CG LEU A 177 -4.696 -10.807 1.047 1.00 0.00 C ATOM 829 CD1 LEU A 177 -5.944 -10.877 1.913 1.00 0.00 C ATOM 830 CD2 LEU A 177 -3.509 -10.307 1.857 1.00 0.00 C ATOM 0 H LEU A 177 -4.454 -11.264 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.325 -11.767 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.267 -12.522 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.212 -12.885 1.248 1.00 0.00 H new ATOM 0 HG LEU A 177 -4.882 -10.102 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.148 -9.894 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -6.792 -11.193 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -5.788 -11.594 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -3.744 -9.332 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -3.294 -11.012 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -2.637 -10.219 1.209 1.00 0.00 H new ATOM 842 N GLU A 178 -1.683 -13.840 -1.490 1.00 0.00 N ATOM 843 CA GLU A 178 -1.239 -15.168 -1.893 1.00 0.00 C ATOM 844 C GLU A 178 -0.299 -15.770 -0.851 1.00 0.00 C ATOM 845 O GLU A 178 0.694 -16.412 -1.192 1.00 0.00 O ATOM 846 CB GLU A 178 -0.538 -15.103 -3.251 1.00 0.00 C ATOM 847 CG GLU A 178 -1.372 -14.438 -4.335 1.00 0.00 C ATOM 848 CD GLU A 178 -0.982 -14.888 -5.729 1.00 0.00 C ATOM 849 OE1 GLU A 178 -0.586 -16.062 -5.886 1.00 0.00 O ATOM 850 OE2 GLU A 178 -1.072 -14.065 -6.665 1.00 0.00 O ATOM 0 H GLU A 178 -1.034 -13.089 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 178 -2.118 -15.808 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 178 0.400 -14.559 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -0.284 -16.114 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -2.425 -14.662 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -1.260 -13.356 -4.262 1.00 0.00 H new ATOM 857 N GLU A 179 -0.622 -15.559 0.421 1.00 0.00 N ATOM 858 CA GLU A 179 0.192 -16.082 1.514 1.00 0.00 C ATOM 859 C GLU A 179 1.624 -15.559 1.427 1.00 0.00 C ATOM 860 O GLU A 179 2.552 -16.306 1.117 1.00 0.00 O ATOM 861 CB GLU A 179 0.191 -17.613 1.489 1.00 0.00 C ATOM 862 CG GLU A 179 0.235 -18.243 2.870 1.00 0.00 C ATOM 863 CD GLU A 179 -0.612 -19.497 2.965 1.00 0.00 C ATOM 864 OE1 GLU A 179 -0.184 -20.544 2.434 1.00 0.00 O ATOM 865 OE2 GLU A 179 -1.702 -19.434 3.571 1.00 0.00 O ATOM 0 H GLU A 179 -1.441 -15.030 0.721 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.242 -15.740 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -0.702 -17.959 0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 179 1.049 -17.959 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 179 1.267 -18.486 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -0.111 -17.518 3.607 1.00 0.00 H new ATOM 872 N PHE A 180 1.794 -14.269 1.702 1.00 0.00 N ATOM 873 CA PHE A 180 3.111 -13.646 1.654 1.00 0.00 C ATOM 874 C PHE A 180 3.746 -13.609 3.041 1.00 0.00 C ATOM 875 O PHE A 180 3.047 -13.611 4.055 1.00 0.00 O ATOM 876 CB PHE A 180 3.009 -12.229 1.090 1.00 0.00 C ATOM 877 CG PHE A 180 2.960 -12.181 -0.410 1.00 0.00 C ATOM 878 CD1 PHE A 180 4.129 -12.193 -1.155 1.00 0.00 C ATOM 879 CD2 PHE A 180 1.746 -12.125 -1.076 1.00 0.00 C ATOM 880 CE1 PHE A 180 4.086 -12.152 -2.536 1.00 0.00 C ATOM 881 CE2 PHE A 180 1.698 -12.082 -2.456 1.00 0.00 C ATOM 882 CZ PHE A 180 2.869 -12.095 -3.187 1.00 0.00 C ATOM 0 H PHE A 180 1.037 -13.636 1.960 1.00 0.00 H new ATOM 0 HA PHE A 180 3.744 -14.245 0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 180 2.115 -11.751 1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 180 3.863 -11.647 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 180 5.083 -12.235 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 180 0.827 -12.115 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 180 5.003 -12.165 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 180 0.745 -12.038 -2.963 1.00 0.00 H new ATOM 0 HZ PHE A 180 2.834 -12.061 -4.266 1.00 0.00 H new ATOM 892 N ASP A 181 5.074 -13.575 3.078 1.00 0.00 N ATOM 893 CA ASP A 181 5.804 -13.538 4.340 1.00 0.00 C ATOM 894 C ASP A 181 7.061 -12.684 4.217 1.00 0.00 C ATOM 895 O ASP A 181 7.101 -11.598 4.832 1.00 0.00 O ATOM 896 CB ASP A 181 6.175 -14.955 4.780 1.00 0.00 C ATOM 897 CG ASP A 181 5.097 -15.600 5.629 1.00 0.00 C ATOM 898 OD1 ASP A 181 4.434 -14.873 6.398 1.00 0.00 O ATOM 899 OD2 ASP A 181 4.917 -16.831 5.524 1.00 0.00 O ATOM 900 OXT ASP A 181 7.995 -13.109 3.504 1.00 0.00 O ATOM 0 H ASP A 181 5.667 -13.572 2.248 1.00 0.00 H new ATOM 0 HA ASP A 181 5.156 -13.090 5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 181 6.355 -15.570 3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.107 -14.925 5.344 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.815 3.584 2.357 1.00 0.00 ZN