USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=14 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 -167:sc= 1.2 USER MOD Set 1.2: A 175 HIS : no HE2:sc= 0.685 K(o=1.9,f=-8.2!) USER MOD Set 2.1: A 143 HIS : no HE2:sc= -4.76 K(o=-4.8,f=-2.4) USER MOD Set 2.2: A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= 0.746 K(o=0.75,f=-0.62) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 SER OG : rot 87:sc= 0.0116 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 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-3.4!) USER MOD Single : A 147 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.493) USER MOD Single : A 154 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.046) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0.00506 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 164 MET CE :methyl -143:sc= -0.74 (180deg=-2.25!) USER MOD Single : A 165 GLN : amide:sc= -3.45 K(o=-3.4,f=-5.8!) USER MOD Single : A 168 CYS SG : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= -0.613 K(o=-0.61,f=-1.8!) USER MOD Single : A 170 GLN : amide:sc= -0.51 K(o=-0.51,f=0) USER MOD Single : A 172 SER OG : rot 60:sc= 0.2 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.031 15.022 -6.722 1.00 0.00 N ATOM 2 CA ALA A 124 1.353 14.427 -5.541 1.00 0.00 C ATOM 3 C ALA A 124 0.731 13.079 -5.889 1.00 0.00 C ATOM 4 O ALA A 124 -0.116 12.986 -6.779 1.00 0.00 O ATOM 5 CB ALA A 124 0.290 15.377 -5.010 1.00 0.00 C ATOM 0 HA ALA A 124 2.102 14.265 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.199 14.929 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.756 16.317 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -0.450 15.566 -5.788 1.00 0.00 H new ATOM 11 N ILE A 125 1.154 12.038 -5.181 1.00 0.00 N ATOM 12 CA ILE A 125 0.638 10.695 -5.414 1.00 0.00 C ATOM 13 C ILE A 125 -0.401 10.316 -4.364 1.00 0.00 C ATOM 14 O ILE A 125 -0.368 10.811 -3.236 1.00 0.00 O ATOM 15 CB ILE A 125 1.767 9.647 -5.401 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.924 10.101 -6.294 1.00 0.00 C ATOM 17 CG2 ILE A 125 1.240 8.294 -5.852 1.00 0.00 C ATOM 18 CD1 ILE A 125 2.568 10.159 -7.763 1.00 0.00 C ATOM 0 H ILE A 125 1.853 12.099 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 125 0.172 10.703 -6.399 1.00 0.00 H new ATOM 0 HB ILE A 125 2.138 9.547 -4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 125 3.257 11.087 -5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.765 9.421 -6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 125 2.050 7.565 -5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.447 7.969 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.845 8.377 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.436 10.488 -8.335 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.264 9.169 -8.103 1.00 0.00 H new ATOM 0 HD13 ILE A 125 1.748 10.861 -7.911 1.00 0.00 H new ATOM 30 N CYS A 126 -1.322 9.436 -4.740 1.00 0.00 N ATOM 31 CA CYS A 126 -2.370 8.990 -3.830 1.00 0.00 C ATOM 32 C CYS A 126 -2.317 7.477 -3.641 1.00 0.00 C ATOM 33 O CYS A 126 -1.943 6.740 -4.554 1.00 0.00 O ATOM 34 CB CYS A 126 -3.746 9.405 -4.362 1.00 0.00 C ATOM 35 SG CYS A 126 -4.561 10.684 -3.378 1.00 0.00 S ATOM 0 H CYS A 126 -1.364 9.017 -5.669 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.205 9.464 -2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -3.635 9.764 -5.385 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.389 8.526 -4.401 1.00 0.00 H new ATOM 0 HG CYS A 126 -5.714 10.969 -3.906 1.00 0.00 H new ATOM 41 N CYS A 127 -2.690 7.021 -2.449 1.00 0.00 N ATOM 42 CA CYS A 127 -2.685 5.596 -2.140 1.00 0.00 C ATOM 43 C CYS A 127 -3.556 4.821 -3.125 1.00 0.00 C ATOM 44 O CYS A 127 -4.628 5.282 -3.514 1.00 0.00 O ATOM 45 CB CYS A 127 -3.179 5.361 -0.710 1.00 0.00 C ATOM 46 SG CYS A 127 -2.877 3.689 -0.089 1.00 0.00 S ATOM 0 H CYS A 127 -2.999 7.618 -1.682 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.660 5.235 -2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.693 6.077 -0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.249 5.564 -0.669 1.00 0.00 H new ATOM 51 N GLN A 128 -3.088 3.642 -3.522 1.00 0.00 N ATOM 52 CA GLN A 128 -3.826 2.804 -4.461 1.00 0.00 C ATOM 53 C GLN A 128 -4.684 1.782 -3.722 1.00 0.00 C ATOM 54 O GLN A 128 -4.775 0.623 -4.128 1.00 0.00 O ATOM 55 CB GLN A 128 -2.859 2.089 -5.406 1.00 0.00 C ATOM 56 CG GLN A 128 -1.942 1.100 -4.706 1.00 0.00 C ATOM 57 CD GLN A 128 -0.892 0.520 -5.634 1.00 0.00 C ATOM 58 OE1 GLN A 128 -1.206 0.046 -6.726 1.00 0.00 O ATOM 59 NE2 GLN A 128 0.363 0.555 -5.202 1.00 0.00 N ATOM 0 H GLN A 128 -2.202 3.245 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.484 3.448 -5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.433 1.562 -6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -2.251 2.833 -5.921 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -1.449 1.596 -3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -2.539 0.290 -4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 128 0.577 0.958 -4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 128 1.113 0.179 -5.783 1.00 0.00 H new ATOM 68 N VAL A 129 -5.314 2.218 -2.637 1.00 0.00 N ATOM 69 CA VAL A 129 -6.165 1.342 -1.841 1.00 0.00 C ATOM 70 C VAL A 129 -7.535 1.971 -1.612 1.00 0.00 C ATOM 71 O VAL A 129 -7.637 3.129 -1.207 1.00 0.00 O ATOM 72 CB VAL A 129 -5.525 1.022 -0.477 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.354 -0.009 0.275 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.094 0.535 -0.655 1.00 0.00 C ATOM 0 H VAL A 129 -5.251 3.174 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.281 0.416 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.502 1.938 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.886 -0.222 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.358 0.381 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.413 -0.926 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.661 0.315 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.090 -0.368 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.505 1.309 -1.147 1.00 0.00 H new ATOM 84 N ASP A 130 -8.586 1.200 -1.872 1.00 0.00 N ATOM 85 CA ASP A 130 -9.951 1.683 -1.693 1.00 0.00 C ATOM 86 C ASP A 130 -10.188 2.119 -0.250 1.00 0.00 C ATOM 87 O ASP A 130 -9.569 1.595 0.676 1.00 0.00 O ATOM 88 CB ASP A 130 -10.955 0.596 -2.081 1.00 0.00 C ATOM 89 CG ASP A 130 -11.354 0.674 -3.542 1.00 0.00 C ATOM 90 OD1 ASP A 130 -10.452 0.802 -4.397 1.00 0.00 O ATOM 91 OD2 ASP A 130 -12.566 0.603 -3.831 1.00 0.00 O ATOM 0 H ASP A 130 -8.519 0.239 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 130 -10.093 2.546 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.523 -0.384 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.845 0.688 -1.458 1.00 0.00 H new ATOM 96 N ASN A 131 -11.085 3.081 -0.067 1.00 0.00 N ATOM 97 CA ASN A 131 -11.403 3.588 1.262 1.00 0.00 C ATOM 98 C ASN A 131 -10.178 4.228 1.911 1.00 0.00 C ATOM 99 O ASN A 131 -10.077 4.290 3.137 1.00 0.00 O ATOM 100 CB ASN A 131 -11.935 2.460 2.149 1.00 0.00 C ATOM 101 CG ASN A 131 -13.182 1.815 1.576 1.00 0.00 C ATOM 102 OD1 ASN A 131 -13.156 0.661 1.148 1.00 0.00 O ATOM 103 ND2 ASN A 131 -14.282 2.557 1.566 1.00 0.00 N ATOM 0 H ASN A 131 -11.605 3.526 -0.823 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.174 4.351 1.156 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.161 1.702 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.156 2.854 3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.151 2.175 1.193 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -14.258 3.509 1.931 1.00 0.00 H new ATOM 110 N CYS A 132 -9.253 4.702 1.084 1.00 0.00 N ATOM 111 CA CYS A 132 -8.037 5.339 1.582 1.00 0.00 C ATOM 112 C CYS A 132 -7.604 6.478 0.666 1.00 0.00 C ATOM 113 O CYS A 132 -6.952 6.255 -0.354 1.00 0.00 O ATOM 114 CB CYS A 132 -6.908 4.312 1.704 1.00 0.00 C ATOM 115 SG CYS A 132 -5.531 4.854 2.744 1.00 0.00 S ATOM 0 H CYS A 132 -9.321 4.658 0.067 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.253 5.750 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.315 3.386 2.111 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.530 4.083 0.708 1.00 0.00 H new ATOM 120 N GLY A 133 -7.971 7.700 1.035 1.00 0.00 N ATOM 121 CA GLY A 133 -7.611 8.856 0.237 1.00 0.00 C ATOM 122 C GLY A 133 -6.363 9.547 0.748 1.00 0.00 C ATOM 123 O GLY A 133 -6.204 10.758 0.583 1.00 0.00 O ATOM 0 H GLY A 133 -8.512 7.910 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.454 8.546 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.440 9.564 0.234 1.00 0.00 H new ATOM 127 N ALA A 134 -5.476 8.778 1.370 1.00 0.00 N ATOM 128 CA ALA A 134 -4.236 9.323 1.906 1.00 0.00 C ATOM 129 C ALA A 134 -3.396 9.966 0.808 1.00 0.00 C ATOM 130 O ALA A 134 -3.113 9.345 -0.216 1.00 0.00 O ATOM 131 CB ALA A 134 -3.440 8.231 2.609 1.00 0.00 C ATOM 0 H ALA A 134 -5.593 7.775 1.515 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.493 10.096 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.516 8.652 3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.031 7.819 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.203 7.439 1.899 1.00 0.00 H new ATOM 137 N ASP A 135 -3.001 11.216 1.028 1.00 0.00 N ATOM 138 CA ASP A 135 -2.193 11.944 0.057 1.00 0.00 C ATOM 139 C ASP A 135 -0.706 11.722 0.313 1.00 0.00 C ATOM 140 O ASP A 135 -0.204 11.998 1.401 1.00 0.00 O ATOM 141 CB ASP A 135 -2.515 13.438 0.113 1.00 0.00 C ATOM 142 CG ASP A 135 -2.068 14.173 -1.135 1.00 0.00 C ATOM 143 OD1 ASP A 135 -1.079 13.733 -1.761 1.00 0.00 O ATOM 144 OD2 ASP A 135 -2.704 15.189 -1.486 1.00 0.00 O ATOM 0 H ASP A 135 -3.227 11.745 1.870 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.433 11.565 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.589 13.571 0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -2.030 13.879 0.984 1.00 0.00 H new ATOM 149 N LEU A 136 -0.006 11.220 -0.701 1.00 0.00 N ATOM 150 CA LEU A 136 1.424 10.960 -0.586 1.00 0.00 C ATOM 151 C LEU A 136 2.232 12.220 -0.884 1.00 0.00 C ATOM 152 O LEU A 136 3.080 12.232 -1.775 1.00 0.00 O ATOM 153 CB LEU A 136 1.836 9.836 -1.539 1.00 0.00 C ATOM 154 CG LEU A 136 1.087 8.515 -1.344 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.602 7.463 -2.313 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.227 8.033 0.091 1.00 0.00 C ATOM 0 H LEU A 136 -0.406 10.986 -1.610 1.00 0.00 H new ATOM 0 HA LEU A 136 1.632 10.652 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.684 10.175 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.904 9.652 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 136 0.030 8.683 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 136 1.059 6.531 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.452 7.807 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.665 7.296 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.689 7.093 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.281 7.880 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.811 8.780 0.768 1.00 0.00 H new ATOM 168 N SER A 137 1.961 13.281 -0.129 1.00 0.00 N ATOM 169 CA SER A 137 2.662 14.547 -0.310 1.00 0.00 C ATOM 170 C SER A 137 3.637 14.800 0.836 1.00 0.00 C ATOM 171 O SER A 137 4.615 15.532 0.681 1.00 0.00 O ATOM 172 CB SER A 137 1.658 15.698 -0.405 1.00 0.00 C ATOM 173 OG SER A 137 1.311 15.962 -1.752 1.00 0.00 O ATOM 0 H SER A 137 1.261 13.289 0.613 1.00 0.00 H new ATOM 0 HA SER A 137 3.230 14.490 -1.238 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.761 15.450 0.163 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.084 16.594 0.046 1.00 0.00 H new ATOM 0 HG SER A 137 0.568 15.381 -2.018 1.00 0.00 H new ATOM 179 N LYS A 138 3.366 14.191 1.987 1.00 0.00 N ATOM 180 CA LYS A 138 4.219 14.352 3.157 1.00 0.00 C ATOM 181 C LYS A 138 5.210 13.198 3.275 1.00 0.00 C ATOM 182 O LYS A 138 5.590 12.802 4.377 1.00 0.00 O ATOM 183 CB LYS A 138 3.366 14.438 4.423 1.00 0.00 C ATOM 184 CG LYS A 138 4.081 15.091 5.593 1.00 0.00 C ATOM 185 CD LYS A 138 3.402 14.765 6.915 1.00 0.00 C ATOM 186 CE LYS A 138 4.139 13.668 7.665 1.00 0.00 C ATOM 187 NZ LYS A 138 3.203 12.727 8.339 1.00 0.00 N ATOM 0 H LYS A 138 2.561 13.581 2.133 1.00 0.00 H new ATOM 0 HA LYS A 138 4.783 15.278 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.459 15.000 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.056 13.434 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.117 14.753 5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.102 16.171 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.357 15.662 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 138 2.374 14.453 6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.771 13.115 6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.799 14.117 8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 3.747 11.995 8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 2.617 13.249 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.590 12.279 7.628 1.00 0.00 H new ATOM 201 N VAL A 139 5.628 12.661 2.132 1.00 0.00 N ATOM 202 CA VAL A 139 6.576 11.554 2.108 1.00 0.00 C ATOM 203 C VAL A 139 7.858 11.944 1.379 1.00 0.00 C ATOM 204 O VAL A 139 7.927 12.998 0.747 1.00 0.00 O ATOM 205 CB VAL A 139 5.972 10.310 1.429 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.849 9.729 2.276 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.477 10.649 0.029 1.00 0.00 C ATOM 0 H VAL A 139 5.324 12.976 1.210 1.00 0.00 H new ATOM 0 HA VAL A 139 6.808 11.315 3.146 1.00 0.00 H new ATOM 0 HB VAL A 139 6.753 9.555 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.435 8.851 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 139 5.240 9.443 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 139 4.066 10.476 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 139 5.054 9.757 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.712 11.423 0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.310 11.010 -0.574 1.00 0.00 H new ATOM 217 N LYS A 140 8.870 11.089 1.471 1.00 0.00 N ATOM 218 CA LYS A 140 10.151 11.346 0.819 1.00 0.00 C ATOM 219 C LYS A 140 10.454 10.280 -0.227 1.00 0.00 C ATOM 220 O LYS A 140 10.972 10.582 -1.303 1.00 0.00 O ATOM 221 CB LYS A 140 11.275 11.396 1.856 1.00 0.00 C ATOM 222 CG LYS A 140 11.131 12.533 2.855 1.00 0.00 C ATOM 223 CD LYS A 140 11.662 13.842 2.289 1.00 0.00 C ATOM 224 CE LYS A 140 10.532 14.758 1.848 1.00 0.00 C ATOM 225 NZ LYS A 140 10.164 15.736 2.907 1.00 0.00 N ATOM 0 H LYS A 140 8.830 10.212 1.990 1.00 0.00 H new ATOM 0 HA LYS A 140 10.087 12.312 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 140 11.302 10.450 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 140 12.230 11.496 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.082 12.651 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.670 12.286 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 140 12.267 14.346 3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 140 12.315 13.635 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 140 10.830 15.294 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 140 9.659 14.159 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 9.390 16.342 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 9.855 15.226 3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 10.989 16.326 3.137 1.00 0.00 H new ATOM 239 N ASP A 141 10.129 9.034 0.095 1.00 0.00 N ATOM 240 CA ASP A 141 10.368 7.922 -0.817 1.00 0.00 C ATOM 241 C ASP A 141 9.782 6.626 -0.265 1.00 0.00 C ATOM 242 O ASP A 141 9.161 6.619 0.800 1.00 0.00 O ATOM 243 CB ASP A 141 11.867 7.751 -1.066 1.00 0.00 C ATOM 244 CG ASP A 141 12.179 7.402 -2.508 1.00 0.00 C ATOM 245 OD1 ASP A 141 12.031 8.286 -3.378 1.00 0.00 O ATOM 246 OD2 ASP A 141 12.569 6.245 -2.768 1.00 0.00 O ATOM 0 H ASP A 141 9.699 8.768 0.981 1.00 0.00 H new ATOM 0 HA ASP A 141 9.873 8.149 -1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 141 12.384 8.672 -0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 141 12.253 6.968 -0.414 1.00 0.00 H new ATOM 251 N TYR A 142 9.981 5.533 -0.994 1.00 0.00 N ATOM 252 CA TYR A 142 9.472 4.231 -0.579 1.00 0.00 C ATOM 253 C TYR A 142 7.955 4.263 -0.414 1.00 0.00 C ATOM 254 O TYR A 142 7.387 3.474 0.342 1.00 0.00 O ATOM 255 CB TYR A 142 10.131 3.798 0.733 1.00 0.00 C ATOM 256 CG TYR A 142 10.455 2.322 0.790 1.00 0.00 C ATOM 257 CD1 TYR A 142 9.456 1.380 1.011 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.757 1.870 0.624 1.00 0.00 C ATOM 259 CE1 TYR A 142 9.750 0.031 1.063 1.00 0.00 C ATOM 260 CE2 TYR A 142 12.058 0.522 0.675 1.00 0.00 C ATOM 261 CZ TYR A 142 11.052 -0.394 0.895 1.00 0.00 C ATOM 262 OH TYR A 142 11.346 -1.737 0.947 1.00 0.00 O ATOM 0 H TYR A 142 10.492 5.523 -1.877 1.00 0.00 H new ATOM 0 HA TYR A 142 9.717 3.509 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.049 4.369 0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.469 4.048 1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.436 1.708 1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 142 12.549 2.584 0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 142 8.963 -0.689 1.235 1.00 0.00 H new ATOM 0 HE2 TYR A 142 13.077 0.188 0.543 1.00 0.00 H new ATOM 0 HH TYR A 142 12.307 -1.867 0.808 1.00 0.00 H new ATOM 272 N HIS A 143 7.304 5.179 -1.123 1.00 0.00 N ATOM 273 CA HIS A 143 5.853 5.309 -1.052 1.00 0.00 C ATOM 274 C HIS A 143 5.321 6.089 -2.250 1.00 0.00 C ATOM 275 O HIS A 143 4.333 5.699 -2.870 1.00 0.00 O ATOM 276 CB HIS A 143 5.444 6.006 0.246 1.00 0.00 C ATOM 277 CG HIS A 143 5.519 5.120 1.451 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.179 5.477 2.608 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.012 3.885 1.675 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.076 4.500 3.492 1.00 0.00 C ATOM 281 NE2 HIS A 143 5.372 3.523 2.950 1.00 0.00 N ATOM 0 H HIS A 143 7.757 5.841 -1.752 1.00 0.00 H new ATOM 0 HA HIS A 143 5.422 4.308 -1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 143 6.087 6.872 0.402 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.425 6.380 0.143 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.670 6.358 2.758 1.00 0.00 H new ATOM 0 HD2 HIS A 143 4.433 3.295 0.981 1.00 0.00 H new ATOM 0 HE1 HIS A 143 6.496 4.501 4.487 1.00 0.00 H new ATOM 289 N ARG A 144 5.985 7.197 -2.568 1.00 0.00 N ATOM 290 CA ARG A 144 5.583 8.036 -3.689 1.00 0.00 C ATOM 291 C ARG A 144 5.672 7.268 -5.004 1.00 0.00 C ATOM 292 O ARG A 144 4.884 7.498 -5.923 1.00 0.00 O ATOM 293 CB ARG A 144 6.461 9.289 -3.753 1.00 0.00 C ATOM 294 CG ARG A 144 5.863 10.408 -4.588 1.00 0.00 C ATOM 295 CD ARG A 144 6.456 10.439 -5.988 1.00 0.00 C ATOM 296 NE ARG A 144 7.860 10.840 -5.979 1.00 0.00 N ATOM 297 CZ ARG A 144 8.704 10.608 -6.981 1.00 0.00 C ATOM 298 NH1 ARG A 144 8.290 9.980 -8.075 1.00 0.00 N ATOM 299 NH2 ARG A 144 9.966 11.006 -6.891 1.00 0.00 N ATOM 0 H ARG A 144 6.805 7.534 -2.063 1.00 0.00 H new ATOM 0 HA ARG A 144 4.546 8.334 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.633 9.654 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 144 7.434 9.020 -4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 144 4.783 10.277 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 144 6.040 11.364 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 144 6.364 9.453 -6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 144 5.886 11.130 -6.608 1.00 0.00 H new ATOM 0 HE ARG A 144 8.215 11.327 -5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 144 7.320 9.673 -8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 144 8.942 9.805 -8.840 1.00 0.00 H new ATOM 0 HH21 ARG A 144 10.290 11.490 -6.053 1.00 0.00 H new ATOM 0 HH22 ARG A 144 10.613 10.828 -7.659 1.00 0.00 H new ATOM 313 N ARG A 145 6.635 6.358 -5.088 1.00 0.00 N ATOM 314 CA ARG A 145 6.826 5.556 -6.291 1.00 0.00 C ATOM 315 C ARG A 145 6.034 4.255 -6.210 1.00 0.00 C ATOM 316 O ARG A 145 5.427 3.823 -7.190 1.00 0.00 O ATOM 317 CB ARG A 145 8.311 5.252 -6.496 1.00 0.00 C ATOM 318 CG ARG A 145 8.672 4.924 -7.935 1.00 0.00 C ATOM 319 CD ARG A 145 9.635 5.947 -8.518 1.00 0.00 C ATOM 320 NE ARG A 145 9.482 6.081 -9.965 1.00 0.00 N ATOM 321 CZ ARG A 145 9.917 5.179 -10.843 1.00 0.00 C ATOM 322 NH1 ARG A 145 10.531 4.080 -10.426 1.00 0.00 N ATOM 323 NH2 ARG A 145 9.737 5.379 -12.141 1.00 0.00 N ATOM 0 H ARG A 145 7.296 6.157 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 145 6.459 6.130 -7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.897 6.111 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 145 8.593 4.413 -5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 145 9.122 3.932 -7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 145 7.766 4.891 -8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 145 9.467 6.914 -8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 145 10.659 5.653 -8.287 1.00 0.00 H new ATOM 0 HE ARG A 145 9.015 6.914 -10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 145 10.672 3.922 -9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 145 10.862 3.393 -11.103 1.00 0.00 H new ATOM 0 HH21 ARG A 145 9.266 6.223 -12.466 1.00 0.00 H new ATOM 0 HH22 ARG A 145 10.070 4.689 -12.814 1.00 0.00 H new ATOM 337 N HIS A 146 6.044 3.635 -5.034 1.00 0.00 N ATOM 338 CA HIS A 146 5.327 2.383 -4.824 1.00 0.00 C ATOM 339 C HIS A 146 3.817 2.611 -4.797 1.00 0.00 C ATOM 340 O HIS A 146 3.038 1.689 -5.036 1.00 0.00 O ATOM 341 CB HIS A 146 5.777 1.727 -3.517 1.00 0.00 C ATOM 342 CG HIS A 146 7.119 1.070 -3.609 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.878 0.746 -2.502 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.840 0.672 -4.686 1.00 0.00 C ATOM 345 CE1 HIS A 146 9.006 0.180 -2.894 1.00 0.00 C ATOM 346 NE2 HIS A 146 9.007 0.123 -4.213 1.00 0.00 N ATOM 0 H HIS A 146 6.541 3.979 -4.212 1.00 0.00 H new ATOM 0 HA HIS A 146 5.559 1.720 -5.657 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.804 2.482 -2.731 1.00 0.00 H new ATOM 0 HB3 HIS A 146 5.037 0.984 -3.219 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.551 0.769 -5.722 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.793 -0.175 -2.246 1.00 0.00 H new ATOM 0 HE2 HIS A 146 9.754 -0.266 -4.788 1.00 0.00 H new ATOM 354 N LYS A 147 3.411 3.845 -4.502 1.00 0.00 N ATOM 355 CA LYS A 147 1.994 4.190 -4.443 1.00 0.00 C ATOM 356 C LYS A 147 1.306 3.467 -3.289 1.00 0.00 C ATOM 357 O LYS A 147 0.578 2.496 -3.496 1.00 0.00 O ATOM 358 CB LYS A 147 1.303 3.849 -5.767 1.00 0.00 C ATOM 359 CG LYS A 147 0.902 5.071 -6.578 1.00 0.00 C ATOM 360 CD LYS A 147 0.297 4.678 -7.917 1.00 0.00 C ATOM 361 CE LYS A 147 -1.043 5.361 -8.145 1.00 0.00 C ATOM 362 NZ LYS A 147 -0.880 6.763 -8.620 1.00 0.00 N ATOM 0 H LYS A 147 4.043 4.620 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 147 1.915 5.264 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 147 1.970 3.229 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 147 0.414 3.253 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.183 5.664 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 147 1.775 5.702 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 147 0.984 4.945 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 147 0.167 3.597 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 147 -1.619 4.795 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 147 -1.615 5.357 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 -1.687 7.021 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 -0.840 7.404 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 0.001 6.844 -9.167 1.00 0.00 H new ATOM 376 N VAL A 148 1.543 3.947 -2.073 1.00 0.00 N ATOM 377 CA VAL A 148 0.950 3.349 -0.883 1.00 0.00 C ATOM 378 C VAL A 148 1.373 4.100 0.374 1.00 0.00 C ATOM 379 O VAL A 148 2.548 4.427 0.548 1.00 0.00 O ATOM 380 CB VAL A 148 1.343 1.865 -0.745 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.851 1.719 -0.611 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.630 1.229 0.440 1.00 0.00 C ATOM 0 H VAL A 148 2.143 4.750 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.132 3.418 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 148 1.031 1.342 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.107 0.664 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.336 2.131 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.191 2.257 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.921 0.182 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.906 1.753 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.448 1.296 0.295 1.00 0.00 H new ATOM 392 N CYS A 149 0.412 4.373 1.250 1.00 0.00 N ATOM 393 CA CYS A 149 0.690 5.086 2.489 1.00 0.00 C ATOM 394 C CYS A 149 1.431 4.187 3.477 1.00 0.00 C ATOM 395 O CYS A 149 1.844 3.080 3.133 1.00 0.00 O ATOM 396 CB CYS A 149 -0.611 5.604 3.110 1.00 0.00 C ATOM 397 SG CYS A 149 -1.681 4.315 3.792 1.00 0.00 S ATOM 0 H CYS A 149 -0.566 4.111 1.124 1.00 0.00 H new ATOM 0 HA CYS A 149 1.329 5.938 2.257 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.364 6.311 3.902 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.166 6.156 2.352 1.00 0.00 H new ATOM 402 N GLU A 150 1.602 4.673 4.703 1.00 0.00 N ATOM 403 CA GLU A 150 2.297 3.914 5.736 1.00 0.00 C ATOM 404 C GLU A 150 1.400 2.829 6.322 1.00 0.00 C ATOM 405 O GLU A 150 1.877 1.774 6.740 1.00 0.00 O ATOM 406 CB GLU A 150 2.779 4.848 6.847 1.00 0.00 C ATOM 407 CG GLU A 150 4.148 5.453 6.583 1.00 0.00 C ATOM 408 CD GLU A 150 4.368 6.748 7.341 1.00 0.00 C ATOM 409 OE1 GLU A 150 3.428 7.568 7.402 1.00 0.00 O ATOM 410 OE2 GLU A 150 5.483 6.943 7.870 1.00 0.00 O ATOM 0 H GLU A 150 1.269 5.589 5.005 1.00 0.00 H new ATOM 0 HA GLU A 150 3.158 3.432 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.054 5.652 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 150 2.810 4.296 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 150 4.919 4.736 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.260 5.638 5.515 1.00 0.00 H new ATOM 417 N ILE A 151 0.098 3.095 6.354 1.00 0.00 N ATOM 418 CA ILE A 151 -0.865 2.143 6.893 1.00 0.00 C ATOM 419 C ILE A 151 -0.889 0.854 6.079 1.00 0.00 C ATOM 420 O ILE A 151 -0.942 -0.242 6.636 1.00 0.00 O ATOM 421 CB ILE A 151 -2.286 2.742 6.928 1.00 0.00 C ATOM 422 CG1 ILE A 151 -2.296 4.041 7.735 1.00 0.00 C ATOM 423 CG2 ILE A 151 -3.275 1.741 7.513 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.947 3.850 9.194 1.00 0.00 C ATOM 0 H ILE A 151 -0.314 3.963 6.012 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.546 1.917 7.910 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.591 2.967 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.589 4.741 7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -3.284 4.496 7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -4.272 2.182 7.530 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -3.287 0.840 6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.975 1.484 8.529 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.974 4.813 9.704 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -2.668 3.175 9.655 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.947 3.424 9.276 1.00 0.00 H new ATOM 436 N HIS A 152 -0.855 0.990 4.758 1.00 0.00 N ATOM 437 CA HIS A 152 -0.881 -0.166 3.872 1.00 0.00 C ATOM 438 C HIS A 152 0.531 -0.559 3.444 1.00 0.00 C ATOM 439 O HIS A 152 0.742 -1.025 2.325 1.00 0.00 O ATOM 440 CB HIS A 152 -1.738 0.127 2.641 1.00 0.00 C ATOM 441 CG HIS A 152 -3.194 0.296 2.954 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.853 1.502 2.843 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.118 -0.595 3.381 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.117 1.347 3.186 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.306 0.082 3.518 1.00 0.00 N ATOM 0 H HIS A 152 -0.809 1.889 4.278 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.319 -1.001 4.420 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.370 1.033 2.159 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.620 -0.686 1.924 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -3.953 -1.644 3.578 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.869 2.122 3.194 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.189 -0.325 3.826 1.00 0.00 H new ATOM 452 N SER A 153 1.492 -0.368 4.341 1.00 0.00 N ATOM 453 CA SER A 153 2.883 -0.702 4.056 1.00 0.00 C ATOM 454 C SER A 153 3.328 -1.908 4.876 1.00 0.00 C ATOM 455 O SER A 153 4.151 -2.707 4.428 1.00 0.00 O ATOM 456 CB SER A 153 3.789 0.493 4.350 1.00 0.00 C ATOM 457 OG SER A 153 5.152 0.164 4.139 1.00 0.00 O ATOM 0 H SER A 153 1.333 0.017 5.272 1.00 0.00 H new ATOM 0 HA SER A 153 2.962 -0.953 2.998 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.511 1.331 3.710 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.645 0.817 5.381 1.00 0.00 H new ATOM 0 HG SER A 153 5.711 0.945 4.332 1.00 0.00 H new ATOM 463 N LYS A 154 2.779 -2.036 6.080 1.00 0.00 N ATOM 464 CA LYS A 154 3.119 -3.145 6.961 1.00 0.00 C ATOM 465 C LYS A 154 1.861 -3.799 7.524 1.00 0.00 C ATOM 466 O LYS A 154 1.859 -4.301 8.648 1.00 0.00 O ATOM 467 CB LYS A 154 4.012 -2.660 8.106 1.00 0.00 C ATOM 468 CG LYS A 154 5.498 -2.757 7.799 1.00 0.00 C ATOM 469 CD LYS A 154 6.339 -2.553 9.051 1.00 0.00 C ATOM 470 CE LYS A 154 6.344 -3.794 9.929 1.00 0.00 C ATOM 471 NZ LYS A 154 5.560 -3.594 11.178 1.00 0.00 N ATOM 0 H LYS A 154 2.096 -1.384 6.467 1.00 0.00 H new ATOM 0 HA LYS A 154 3.662 -3.887 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.764 -1.624 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.795 -3.246 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.719 -3.733 7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.766 -2.009 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 154 7.361 -2.303 8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 154 5.950 -1.707 9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 154 5.931 -4.635 9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 154 7.371 -4.055 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 5.329 -4.518 11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 6.122 -3.040 11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 4.681 -3.084 10.958 1.00 0.00 H new ATOM 485 N ALA A 155 0.792 -3.791 6.735 1.00 0.00 N ATOM 486 CA ALA A 155 -0.472 -4.384 7.154 1.00 0.00 C ATOM 487 C ALA A 155 -0.727 -5.700 6.428 1.00 0.00 C ATOM 488 O ALA A 155 0.034 -6.092 5.544 1.00 0.00 O ATOM 489 CB ALA A 155 -1.617 -3.412 6.908 1.00 0.00 C ATOM 0 H ALA A 155 0.776 -3.380 5.802 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.411 -4.594 8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.555 -3.867 7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.447 -2.498 7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.670 -3.174 5.846 1.00 0.00 H new ATOM 495 N THR A 156 -1.805 -6.380 6.806 1.00 0.00 N ATOM 496 CA THR A 156 -2.162 -7.652 6.190 1.00 0.00 C ATOM 497 C THR A 156 -3.393 -7.506 5.303 1.00 0.00 C ATOM 498 O THR A 156 -3.505 -8.161 4.267 1.00 0.00 O ATOM 499 CB THR A 156 -2.430 -8.735 7.251 1.00 0.00 C ATOM 500 OG1 THR A 156 -2.936 -8.134 8.449 1.00 0.00 O ATOM 501 CG2 THR A 156 -1.160 -9.511 7.567 1.00 0.00 C ATOM 0 H THR A 156 -2.446 -6.071 7.536 1.00 0.00 H new ATOM 0 HA THR A 156 -1.313 -7.958 5.579 1.00 0.00 H new ATOM 0 HB THR A 156 -3.170 -9.427 6.850 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.105 -8.830 9.118 1.00 0.00 H new ATOM 0 HG21 THR A 156 -1.375 -10.270 8.319 1.00 0.00 H new ATOM 0 HG22 THR A 156 -0.792 -9.992 6.661 1.00 0.00 H new ATOM 0 HG23 THR A 156 -0.401 -8.827 7.948 1.00 0.00 H new ATOM 509 N THR A 157 -4.316 -6.645 5.718 1.00 0.00 N ATOM 510 CA THR A 157 -5.540 -6.413 4.962 1.00 0.00 C ATOM 511 C THR A 157 -5.492 -5.072 4.236 1.00 0.00 C ATOM 512 O THR A 157 -5.194 -4.040 4.837 1.00 0.00 O ATOM 513 CB THR A 157 -6.780 -6.445 5.875 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.443 -5.947 7.176 1.00 0.00 O ATOM 515 CG2 THR A 157 -7.327 -7.859 5.995 1.00 0.00 C ATOM 0 H THR A 157 -4.239 -6.096 6.574 1.00 0.00 H new ATOM 0 HA THR A 157 -5.616 -7.217 4.230 1.00 0.00 H new ATOM 0 HB THR A 157 -7.548 -5.812 5.431 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.237 -5.969 7.750 1.00 0.00 H new ATOM 0 HG21 THR A 157 -8.202 -7.857 6.645 1.00 0.00 H new ATOM 0 HG22 THR A 157 -7.609 -8.225 5.008 1.00 0.00 H new ATOM 0 HG23 THR A 157 -6.562 -8.510 6.419 1.00 0.00 H new ATOM 523 N ALA A 158 -5.786 -5.095 2.940 1.00 0.00 N ATOM 524 CA ALA A 158 -5.777 -3.882 2.133 1.00 0.00 C ATOM 525 C ALA A 158 -6.547 -4.080 0.833 1.00 0.00 C ATOM 526 O ALA A 158 -6.243 -4.981 0.050 1.00 0.00 O ATOM 527 CB ALA A 158 -4.346 -3.456 1.840 1.00 0.00 C ATOM 0 H ALA A 158 -6.033 -5.941 2.427 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.272 -3.094 2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.353 -2.548 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.824 -3.264 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -3.834 -4.250 1.296 1.00 0.00 H new ATOM 533 N LEU A 159 -7.549 -3.236 0.609 1.00 0.00 N ATOM 534 CA LEU A 159 -8.363 -3.318 -0.597 1.00 0.00 C ATOM 535 C LEU A 159 -7.750 -2.494 -1.724 1.00 0.00 C ATOM 536 O LEU A 159 -7.800 -1.263 -1.705 1.00 0.00 O ATOM 537 CB LEU A 159 -9.787 -2.834 -0.308 1.00 0.00 C ATOM 538 CG LEU A 159 -10.896 -3.663 -0.959 1.00 0.00 C ATOM 539 CD1 LEU A 159 -10.871 -3.494 -2.469 1.00 0.00 C ATOM 540 CD2 LEU A 159 -10.755 -5.130 -0.583 1.00 0.00 C ATOM 0 H LEU A 159 -7.816 -2.487 1.248 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.398 -4.360 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.942 -2.831 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.879 -1.802 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 159 -11.857 -3.304 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.667 -4.091 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.021 -2.444 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -9.908 -3.826 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -11.552 -5.705 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -9.789 -5.502 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -10.823 -5.236 0.500 1.00 0.00 H new ATOM 552 N VAL A 160 -7.173 -3.178 -2.705 1.00 0.00 N ATOM 553 CA VAL A 160 -6.549 -2.510 -3.840 1.00 0.00 C ATOM 554 C VAL A 160 -7.265 -2.850 -5.143 1.00 0.00 C ATOM 555 O VAL A 160 -7.012 -3.892 -5.747 1.00 0.00 O ATOM 556 CB VAL A 160 -5.062 -2.892 -3.970 1.00 0.00 C ATOM 557 CG1 VAL A 160 -4.385 -2.058 -5.049 1.00 0.00 C ATOM 558 CG2 VAL A 160 -4.351 -2.731 -2.635 1.00 0.00 C ATOM 0 H VAL A 160 -7.124 -4.196 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 160 -6.627 -1.439 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.000 -3.940 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -3.336 -2.343 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -4.878 -2.231 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -4.456 -1.002 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.302 -3.005 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -4.422 -1.694 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -4.819 -3.378 -1.893 1.00 0.00 H new ATOM 568 N GLY A 161 -8.158 -1.963 -5.571 1.00 0.00 N ATOM 569 CA GLY A 161 -8.896 -2.189 -6.800 1.00 0.00 C ATOM 570 C GLY A 161 -10.210 -2.909 -6.565 1.00 0.00 C ATOM 571 O GLY A 161 -11.247 -2.513 -7.098 1.00 0.00 O ATOM 0 H GLY A 161 -8.383 -1.093 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.091 -1.232 -7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.283 -2.774 -7.486 1.00 0.00 H new ATOM 575 N GLY A 162 -10.167 -3.968 -5.765 1.00 0.00 N ATOM 576 CA GLY A 162 -11.368 -4.729 -5.475 1.00 0.00 C ATOM 577 C GLY A 162 -11.079 -6.003 -4.704 1.00 0.00 C ATOM 578 O GLY A 162 -11.899 -6.450 -3.903 1.00 0.00 O ATOM 0 H GLY A 162 -9.321 -4.314 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.057 -4.109 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -11.869 -4.980 -6.410 1.00 0.00 H new ATOM 582 N ILE A 163 -9.910 -6.587 -4.947 1.00 0.00 N ATOM 583 CA ILE A 163 -9.513 -7.814 -4.271 1.00 0.00 C ATOM 584 C ILE A 163 -8.678 -7.511 -3.033 1.00 0.00 C ATOM 585 O ILE A 163 -7.824 -6.625 -3.047 1.00 0.00 O ATOM 586 CB ILE A 163 -8.709 -8.736 -5.209 1.00 0.00 C ATOM 587 CG1 ILE A 163 -9.465 -8.951 -6.522 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.425 -10.069 -4.532 1.00 0.00 C ATOM 589 CD1 ILE A 163 -8.573 -8.924 -7.744 1.00 0.00 C ATOM 0 H ILE A 163 -9.221 -6.229 -5.608 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.429 -8.324 -3.972 1.00 0.00 H new ATOM 0 HB ILE A 163 -7.757 -8.255 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -9.983 -9.909 -6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.229 -8.180 -6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -7.857 -10.707 -5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -7.848 -9.900 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.367 -10.556 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -9.176 -9.083 -8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.075 -7.957 -7.809 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -7.825 -9.713 -7.666 1.00 0.00 H new ATOM 601 N MET A 164 -8.933 -8.253 -1.963 1.00 0.00 N ATOM 602 CA MET A 164 -8.209 -8.068 -0.711 1.00 0.00 C ATOM 603 C MET A 164 -6.761 -8.529 -0.845 1.00 0.00 C ATOM 604 O MET A 164 -6.495 -9.704 -1.102 1.00 0.00 O ATOM 605 CB MET A 164 -8.897 -8.836 0.419 1.00 0.00 C ATOM 606 CG MET A 164 -10.058 -8.083 1.048 1.00 0.00 C ATOM 607 SD MET A 164 -9.525 -6.914 2.312 1.00 0.00 S ATOM 608 CE MET A 164 -11.101 -6.265 2.860 1.00 0.00 C ATOM 0 H MET A 164 -9.637 -8.990 -1.937 1.00 0.00 H new ATOM 0 HA MET A 164 -8.212 -7.004 -0.474 1.00 0.00 H new ATOM 0 HB2 MET A 164 -9.260 -9.788 0.032 1.00 0.00 H new ATOM 0 HB3 MET A 164 -8.162 -9.065 1.191 1.00 0.00 H new ATOM 0 HG2 MET A 164 -10.603 -7.548 0.270 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.753 -8.798 1.489 1.00 0.00 H new ATOM 0 HE1 MET A 164 -11.000 -5.203 3.082 1.00 0.00 H new ATOM 0 HE2 MET A 164 -11.844 -6.402 2.074 1.00 0.00 H new ATOM 0 HE3 MET A 164 -11.420 -6.794 3.758 1.00 0.00 H new ATOM 618 N GLN A 165 -5.830 -7.597 -0.668 1.00 0.00 N ATOM 619 CA GLN A 165 -4.410 -7.909 -0.769 1.00 0.00 C ATOM 620 C GLN A 165 -3.593 -7.046 0.187 1.00 0.00 C ATOM 621 O GLN A 165 -4.142 -6.215 0.912 1.00 0.00 O ATOM 622 CB GLN A 165 -3.916 -7.705 -2.203 1.00 0.00 C ATOM 623 CG GLN A 165 -4.427 -6.429 -2.852 1.00 0.00 C ATOM 624 CD GLN A 165 -4.999 -6.668 -4.236 1.00 0.00 C ATOM 625 OE1 GLN A 165 -5.927 -7.459 -4.409 1.00 0.00 O ATOM 626 NE2 GLN A 165 -4.446 -5.985 -5.232 1.00 0.00 N ATOM 0 H GLN A 165 -6.034 -6.621 -0.454 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.277 -8.955 -0.493 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.826 -7.690 -2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.224 -8.558 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -5.194 -5.985 -2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.612 -5.708 -2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -3.679 -5.340 -5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -4.789 -6.106 -6.185 1.00 0.00 H new ATOM 635 N ARG A 166 -2.279 -7.248 0.184 1.00 0.00 N ATOM 636 CA ARG A 166 -1.387 -6.488 1.051 1.00 0.00 C ATOM 637 C ARG A 166 -0.135 -6.052 0.294 1.00 0.00 C ATOM 638 O ARG A 166 0.297 -6.720 -0.646 1.00 0.00 O ATOM 639 CB ARG A 166 -0.995 -7.322 2.271 1.00 0.00 C ATOM 640 CG ARG A 166 -0.259 -8.604 1.922 1.00 0.00 C ATOM 641 CD ARG A 166 0.436 -9.198 3.137 1.00 0.00 C ATOM 642 NE ARG A 166 1.701 -9.838 2.786 1.00 0.00 N ATOM 643 CZ ARG A 166 2.554 -10.333 3.678 1.00 0.00 C ATOM 644 NH1 ARG A 166 2.283 -10.264 4.975 1.00 0.00 N ATOM 645 NH2 ARG A 166 3.683 -10.900 3.273 1.00 0.00 N ATOM 0 H ARG A 166 -1.809 -7.932 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.917 -5.596 1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -0.366 -6.719 2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -1.894 -7.571 2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -0.963 -9.329 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 166 0.477 -8.402 1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 166 0.619 -8.412 3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -0.221 -9.928 3.609 1.00 0.00 H new ATOM 0 HE ARG A 166 1.945 -9.910 1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 166 1.417 -9.830 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 166 2.941 -10.645 5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 166 3.897 -10.956 2.277 1.00 0.00 H new ATOM 0 HH22 ARG A 166 4.337 -11.280 3.957 1.00 0.00 H new ATOM 659 N PHE A 167 0.441 -4.930 0.710 1.00 0.00 N ATOM 660 CA PHE A 167 1.643 -4.405 0.072 1.00 0.00 C ATOM 661 C PHE A 167 2.855 -5.273 0.396 1.00 0.00 C ATOM 662 O PHE A 167 3.189 -5.479 1.563 1.00 0.00 O ATOM 663 CB PHE A 167 1.898 -2.967 0.519 1.00 0.00 C ATOM 664 CG PHE A 167 3.066 -2.322 -0.169 1.00 0.00 C ATOM 665 CD1 PHE A 167 3.065 -2.144 -1.544 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.166 -1.895 0.557 1.00 0.00 C ATOM 667 CE1 PHE A 167 4.140 -1.552 -2.180 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.243 -1.302 -0.073 1.00 0.00 C ATOM 669 CZ PHE A 167 5.230 -1.131 -1.444 1.00 0.00 C ATOM 0 H PHE A 167 0.095 -4.366 1.486 1.00 0.00 H new ATOM 0 HA PHE A 167 1.486 -4.419 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.003 -2.373 0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.069 -2.955 1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 167 2.215 -2.471 -2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.182 -2.027 1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 167 4.127 -1.419 -3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 167 6.094 -0.973 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 167 6.071 -0.669 -1.939 1.00 0.00 H new ATOM 679 N CYS A 168 3.510 -5.777 -0.645 1.00 0.00 N ATOM 680 CA CYS A 168 4.687 -6.621 -0.470 1.00 0.00 C ATOM 681 C CYS A 168 5.956 -5.777 -0.414 1.00 0.00 C ATOM 682 O CYS A 168 6.259 -5.031 -1.344 1.00 0.00 O ATOM 683 CB CYS A 168 4.786 -7.634 -1.612 1.00 0.00 C ATOM 684 SG CYS A 168 5.649 -9.160 -1.172 1.00 0.00 S ATOM 0 H CYS A 168 3.246 -5.616 -1.617 1.00 0.00 H new ATOM 0 HA CYS A 168 4.585 -7.156 0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 168 3.780 -7.883 -1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 168 5.300 -7.168 -2.453 1.00 0.00 H new ATOM 0 HG CYS A 168 5.679 -9.954 -2.201 1.00 0.00 H new ATOM 690 N GLN A 169 6.695 -5.897 0.685 1.00 0.00 N ATOM 691 CA GLN A 169 7.930 -5.145 0.862 1.00 0.00 C ATOM 692 C GLN A 169 8.999 -5.613 -0.122 1.00 0.00 C ATOM 693 O GLN A 169 9.764 -4.807 -0.652 1.00 0.00 O ATOM 694 CB GLN A 169 8.442 -5.292 2.295 1.00 0.00 C ATOM 695 CG GLN A 169 7.676 -4.450 3.303 1.00 0.00 C ATOM 696 CD GLN A 169 7.635 -5.084 4.679 1.00 0.00 C ATOM 697 OE1 GLN A 169 7.690 -6.307 4.816 1.00 0.00 O ATOM 698 NE2 GLN A 169 7.535 -4.254 5.711 1.00 0.00 N ATOM 0 H GLN A 169 6.459 -6.509 1.466 1.00 0.00 H new ATOM 0 HA GLN A 169 7.716 -4.094 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 169 8.381 -6.340 2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 169 9.495 -5.013 2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 169 8.138 -3.465 3.374 1.00 0.00 H new ATOM 0 HG3 GLN A 169 6.657 -4.299 2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 169 7.492 -3.247 5.553 1.00 0.00 H new ATOM 0 HE22 GLN A 169 7.501 -4.623 6.661 1.00 0.00 H new ATOM 707 N GLN A 170 9.046 -6.920 -0.358 1.00 0.00 N ATOM 708 CA GLN A 170 10.021 -7.495 -1.278 1.00 0.00 C ATOM 709 C GLN A 170 9.645 -7.195 -2.726 1.00 0.00 C ATOM 710 O GLN A 170 10.357 -6.472 -3.425 1.00 0.00 O ATOM 711 CB GLN A 170 10.123 -9.009 -1.062 1.00 0.00 C ATOM 712 CG GLN A 170 11.509 -9.471 -0.646 1.00 0.00 C ATOM 713 CD GLN A 170 12.345 -9.939 -1.820 1.00 0.00 C ATOM 714 OE1 GLN A 170 12.920 -11.026 -1.794 1.00 0.00 O ATOM 715 NE2 GLN A 170 12.417 -9.116 -2.861 1.00 0.00 N ATOM 0 H GLN A 170 8.421 -7.600 0.074 1.00 0.00 H new ATOM 0 HA GLN A 170 10.991 -7.041 -1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 170 9.405 -9.308 -0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 170 9.840 -9.519 -1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 170 12.024 -8.654 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 170 11.416 -10.283 0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 170 11.924 -8.223 -2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 170 12.965 -9.377 -3.681 1.00 0.00 H new ATOM 724 N CYS A 171 8.526 -7.757 -3.170 1.00 0.00 N ATOM 725 CA CYS A 171 8.055 -7.550 -4.535 1.00 0.00 C ATOM 726 C CYS A 171 7.831 -6.067 -4.823 1.00 0.00 C ATOM 727 O CYS A 171 7.855 -5.639 -5.977 1.00 0.00 O ATOM 728 CB CYS A 171 6.759 -8.328 -4.772 1.00 0.00 C ATOM 729 SG CYS A 171 6.232 -8.375 -6.500 1.00 0.00 S ATOM 0 H CYS A 171 7.928 -8.360 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 171 8.824 -7.918 -5.214 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.891 -9.350 -4.416 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.965 -7.881 -4.173 1.00 0.00 H new ATOM 0 HG CYS A 171 5.008 -8.806 -6.569 1.00 0.00 H new ATOM 735 N SER A 172 7.613 -5.287 -3.768 1.00 0.00 N ATOM 736 CA SER A 172 7.385 -3.852 -3.911 1.00 0.00 C ATOM 737 C SER A 172 6.087 -3.582 -4.666 1.00 0.00 C ATOM 738 O SER A 172 5.974 -2.595 -5.394 1.00 0.00 O ATOM 739 CB SER A 172 8.559 -3.194 -4.639 1.00 0.00 C ATOM 740 OG SER A 172 9.790 -3.521 -4.021 1.00 0.00 O ATOM 0 H SER A 172 7.589 -5.624 -2.806 1.00 0.00 H new ATOM 0 HA SER A 172 7.302 -3.422 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 172 8.573 -3.518 -5.680 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.427 -2.112 -4.644 1.00 0.00 H new ATOM 0 HG SER A 172 9.913 -4.493 -4.031 1.00 0.00 H new ATOM 746 N ARG A 173 5.109 -4.464 -4.486 1.00 0.00 N ATOM 747 CA ARG A 173 3.819 -4.321 -5.149 1.00 0.00 C ATOM 748 C ARG A 173 2.712 -4.979 -4.329 1.00 0.00 C ATOM 749 O ARG A 173 2.981 -5.645 -3.327 1.00 0.00 O ATOM 750 CB ARG A 173 3.869 -4.937 -6.549 1.00 0.00 C ATOM 751 CG ARG A 173 4.200 -3.935 -7.642 1.00 0.00 C ATOM 752 CD ARG A 173 4.424 -4.621 -8.980 1.00 0.00 C ATOM 753 NE ARG A 173 4.645 -3.661 -10.058 1.00 0.00 N ATOM 754 CZ ARG A 173 5.790 -3.009 -10.244 1.00 0.00 C ATOM 755 NH1 ARG A 173 6.819 -3.213 -9.430 1.00 0.00 N ATOM 756 NH2 ARG A 173 5.909 -2.151 -11.250 1.00 0.00 N ATOM 0 H ARG A 173 5.186 -5.285 -3.886 1.00 0.00 H new ATOM 0 HA ARG A 173 3.599 -3.257 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 173 4.613 -5.733 -6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 173 2.906 -5.397 -6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 173 3.388 -3.214 -7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 173 5.093 -3.375 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 173 5.284 -5.287 -8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 173 3.560 -5.241 -9.218 1.00 0.00 H new ATOM 0 HE ARG A 173 3.878 -3.480 -10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 173 6.735 -3.873 -8.657 1.00 0.00 H new ATOM 0 HH12 ARG A 173 7.694 -2.710 -9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 173 5.123 -1.992 -11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 173 6.787 -1.651 -11.393 1.00 0.00 H new ATOM 770 N PHE A 174 1.470 -4.789 -4.760 1.00 0.00 N ATOM 771 CA PHE A 174 0.324 -5.363 -4.065 1.00 0.00 C ATOM 772 C PHE A 174 0.015 -6.764 -4.588 1.00 0.00 C ATOM 773 O PHE A 174 -0.259 -6.946 -5.775 1.00 0.00 O ATOM 774 CB PHE A 174 -0.902 -4.462 -4.227 1.00 0.00 C ATOM 775 CG PHE A 174 -1.029 -3.419 -3.154 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.257 -3.787 -1.837 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.920 -2.073 -3.461 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.375 -2.829 -0.847 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.037 -1.111 -2.476 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.264 -1.489 -1.167 1.00 0.00 C ATOM 0 H PHE A 174 1.231 -4.242 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 174 0.573 -5.437 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.854 -3.968 -5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.799 -5.081 -4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -1.343 -4.833 -1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.741 -1.772 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.554 -3.128 0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -0.951 -0.065 -2.729 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.355 -0.739 -0.395 1.00 0.00 H new ATOM 790 N HIS A 175 0.062 -7.748 -3.695 1.00 0.00 N ATOM 791 CA HIS A 175 -0.214 -9.132 -4.067 1.00 0.00 C ATOM 792 C HIS A 175 -1.319 -9.718 -3.194 1.00 0.00 C ATOM 793 O HIS A 175 -1.438 -9.378 -2.017 1.00 0.00 O ATOM 794 CB HIS A 175 1.053 -9.978 -3.941 1.00 0.00 C ATOM 795 CG HIS A 175 1.938 -9.915 -5.148 1.00 0.00 C ATOM 796 ND1 HIS A 175 1.451 -9.839 -6.436 1.00 0.00 N ATOM 797 CD2 HIS A 175 3.288 -9.915 -5.258 1.00 0.00 C ATOM 798 CE1 HIS A 175 2.462 -9.798 -7.286 1.00 0.00 C ATOM 799 NE2 HIS A 175 3.587 -9.841 -6.596 1.00 0.00 N ATOM 0 H HIS A 175 0.288 -7.613 -2.710 1.00 0.00 H new ATOM 0 HA HIS A 175 -0.549 -9.144 -5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.617 -9.645 -3.069 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.771 -11.015 -3.761 1.00 0.00 H new ATOM 0 HD1 HIS A 175 0.464 -9.818 -6.693 1.00 0.00 H new ATOM 0 HD2 HIS A 175 3.997 -9.964 -4.445 1.00 0.00 H new ATOM 0 HE1 HIS A 175 2.382 -9.739 -8.361 1.00 0.00 H new ATOM 807 N VAL A 176 -2.124 -10.603 -3.777 1.00 0.00 N ATOM 808 CA VAL A 176 -3.219 -11.238 -3.052 1.00 0.00 C ATOM 809 C VAL A 176 -2.754 -11.784 -1.705 1.00 0.00 C ATOM 810 O VAL A 176 -1.559 -11.806 -1.413 1.00 0.00 O ATOM 811 CB VAL A 176 -3.841 -12.388 -3.868 1.00 0.00 C ATOM 812 CG1 VAL A 176 -4.604 -11.843 -5.066 1.00 0.00 C ATOM 813 CG2 VAL A 176 -2.766 -13.368 -4.313 1.00 0.00 C ATOM 0 H VAL A 176 -2.038 -10.896 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.971 -10.467 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.546 -12.921 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -5.036 -12.670 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.401 -11.184 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -3.923 -11.284 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.223 -14.173 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -2.035 -12.849 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.268 -13.785 -3.437 1.00 0.00 H new ATOM 823 N LEU A 177 -3.707 -12.223 -0.890 1.00 0.00 N ATOM 824 CA LEU A 177 -3.396 -12.770 0.425 1.00 0.00 C ATOM 825 C LEU A 177 -3.155 -14.275 0.345 1.00 0.00 C ATOM 826 O LEU A 177 -3.746 -15.050 1.097 1.00 0.00 O ATOM 827 CB LEU A 177 -4.530 -12.469 1.406 1.00 0.00 C ATOM 828 CG LEU A 177 -5.046 -11.030 1.376 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.516 -10.981 1.769 1.00 0.00 C ATOM 830 CD2 LEU A 177 -4.218 -10.148 2.297 1.00 0.00 C ATOM 0 H LEU A 177 -4.701 -12.211 -1.117 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.483 -12.295 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.361 -13.142 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.186 -12.695 2.415 1.00 0.00 H new ATOM 0 HG LEU A 177 -4.950 -10.651 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.866 -9.949 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -7.100 -11.580 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.637 -11.379 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -4.599 -9.127 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -4.282 -10.526 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -3.178 -10.158 1.972 1.00 0.00 H new ATOM 842 N GLU A 178 -2.283 -14.679 -0.572 1.00 0.00 N ATOM 843 CA GLU A 178 -1.961 -16.090 -0.753 1.00 0.00 C ATOM 844 C GLU A 178 -0.469 -16.335 -0.558 1.00 0.00 C ATOM 845 O GLU A 178 0.366 -15.635 -1.130 1.00 0.00 O ATOM 846 CB GLU A 178 -2.390 -16.558 -2.146 1.00 0.00 C ATOM 847 CG GLU A 178 -3.843 -16.254 -2.469 1.00 0.00 C ATOM 848 CD GLU A 178 -4.542 -17.409 -3.158 1.00 0.00 C ATOM 849 OE1 GLU A 178 -4.156 -18.570 -2.908 1.00 0.00 O ATOM 850 OE2 GLU A 178 -5.475 -17.153 -3.949 1.00 0.00 O ATOM 0 H GLU A 178 -1.786 -14.049 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 178 -2.506 -16.662 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -1.753 -16.082 -2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -2.226 -17.633 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -4.373 -16.011 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -3.892 -15.372 -3.107 1.00 0.00 H new ATOM 857 N GLU A 179 -0.141 -17.333 0.259 1.00 0.00 N ATOM 858 CA GLU A 179 1.252 -17.675 0.538 1.00 0.00 C ATOM 859 C GLU A 179 1.911 -16.642 1.454 1.00 0.00 C ATOM 860 O GLU A 179 3.115 -16.702 1.701 1.00 0.00 O ATOM 861 CB GLU A 179 2.046 -17.800 -0.767 1.00 0.00 C ATOM 862 CG GLU A 179 2.768 -19.130 -0.916 1.00 0.00 C ATOM 863 CD GLU A 179 2.406 -19.852 -2.199 1.00 0.00 C ATOM 864 OE1 GLU A 179 2.793 -19.366 -3.282 1.00 0.00 O ATOM 865 OE2 GLU A 179 1.735 -20.902 -2.120 1.00 0.00 O ATOM 0 H GLU A 179 -0.822 -17.920 0.740 1.00 0.00 H new ATOM 0 HA GLU A 179 1.257 -18.636 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.367 -17.668 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 179 2.776 -16.992 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 179 3.844 -18.959 -0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 179 2.527 -19.767 -0.065 1.00 0.00 H new ATOM 872 N PHE A 180 1.120 -15.695 1.957 1.00 0.00 N ATOM 873 CA PHE A 180 1.638 -14.659 2.842 1.00 0.00 C ATOM 874 C PHE A 180 1.193 -14.901 4.281 1.00 0.00 C ATOM 875 O PHE A 180 0.043 -14.647 4.636 1.00 0.00 O ATOM 876 CB PHE A 180 1.169 -13.280 2.376 1.00 0.00 C ATOM 877 CG PHE A 180 1.666 -12.905 1.009 1.00 0.00 C ATOM 878 CD1 PHE A 180 2.967 -13.189 0.628 1.00 0.00 C ATOM 879 CD2 PHE A 180 0.831 -12.265 0.107 1.00 0.00 C ATOM 880 CE1 PHE A 180 3.428 -12.844 -0.628 1.00 0.00 C ATOM 881 CE2 PHE A 180 1.286 -11.918 -1.151 1.00 0.00 C ATOM 882 CZ PHE A 180 2.585 -12.207 -1.520 1.00 0.00 C ATOM 0 H PHE A 180 0.120 -15.626 1.766 1.00 0.00 H new ATOM 0 HA PHE A 180 2.727 -14.696 2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 180 0.079 -13.257 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 180 1.503 -12.530 3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 180 3.629 -13.686 1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -0.186 -12.035 0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 180 4.445 -13.071 -0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 180 0.625 -11.421 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 180 2.942 -11.936 -2.503 1.00 0.00 H new ATOM 892 N ASP A 181 2.112 -15.395 5.105 1.00 0.00 N ATOM 893 CA ASP A 181 1.814 -15.671 6.506 1.00 0.00 C ATOM 894 C ASP A 181 2.837 -15.006 7.421 1.00 0.00 C ATOM 895 O ASP A 181 3.706 -14.274 6.903 1.00 0.00 O ATOM 896 CB ASP A 181 1.793 -17.180 6.758 1.00 0.00 C ATOM 897 CG ASP A 181 0.684 -17.878 5.995 1.00 0.00 C ATOM 898 OD1 ASP A 181 -0.485 -17.773 6.419 1.00 0.00 O ATOM 899 OD2 ASP A 181 0.985 -18.530 4.973 1.00 0.00 O ATOM 900 OXT ASP A 181 2.758 -15.220 8.649 1.00 0.00 O ATOM 0 H ASP A 181 3.069 -15.612 4.827 1.00 0.00 H new ATOM 0 HA ASP A 181 0.830 -15.259 6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 181 2.753 -17.607 6.470 1.00 0.00 H new ATOM 0 HB3 ASP A 181 1.669 -17.366 7.825 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.490 3.537 2.300 1.00 0.00 ZN