USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=12 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 168 CYS SG : rot 116:sc= 2.29 USER MOD Set 1.2: A 171 CYS SG : rot 120:sc= 1.36 USER MOD Set 2.1: A 143 HIS : no HE2:sc= -0.157 K(o=1.2,f=-5.2!) USER MOD Set 2.2: A 153 SER OG : rot 178:sc= 1.32 USER MOD Single : A 126 CYS SG : rot 180:sc= 0.0114 USER MOD Single : A 128 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 131 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HE2:sc= -2.6 K(o=-2.6,f=-3.9!) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 MET CE :methyl -132:sc= -1.81 (180deg=-5.74!) USER MOD Single : A 165 GLN : amide:sc= -3.24 K(o=-3.2,f=-8.5!) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.048) USER MOD Single : A 172 SER OG : rot 180:sc= -0.423 USER MOD Single : A 175 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.674 14.407 -6.516 1.00 0.00 N ATOM 2 CA ALA A 124 1.563 14.086 -5.582 1.00 0.00 C ATOM 3 C ALA A 124 0.949 12.729 -5.906 1.00 0.00 C ATOM 4 O ALA A 124 0.170 12.599 -6.851 1.00 0.00 O ATOM 5 CB ALA A 124 0.500 15.174 -5.635 1.00 0.00 C ATOM 0 HA ALA A 124 1.971 14.039 -4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.308 14.927 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.942 16.128 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 124 0.104 15.247 -6.648 1.00 0.00 H new ATOM 11 N ILE A 125 1.305 11.721 -5.116 1.00 0.00 N ATOM 12 CA ILE A 125 0.788 10.373 -5.320 1.00 0.00 C ATOM 13 C ILE A 125 -0.323 10.054 -4.325 1.00 0.00 C ATOM 14 O ILE A 125 -0.401 10.654 -3.254 1.00 0.00 O ATOM 15 CB ILE A 125 1.902 9.316 -5.183 1.00 0.00 C ATOM 16 CG1 ILE A 125 3.141 9.741 -5.972 1.00 0.00 C ATOM 17 CG2 ILE A 125 1.405 7.959 -5.659 1.00 0.00 C ATOM 18 CD1 ILE A 125 2.915 9.807 -7.466 1.00 0.00 C ATOM 0 H ILE A 125 1.948 11.812 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 125 0.387 10.339 -6.333 1.00 0.00 H new ATOM 0 HB ILE A 125 2.176 9.234 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 125 3.468 10.719 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.950 9.041 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 125 2.202 7.223 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.549 7.653 -5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.107 8.027 -6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.836 10.115 -7.960 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.617 8.825 -7.833 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.128 10.529 -7.683 1.00 0.00 H new ATOM 30 N CYS A 126 -1.183 9.108 -4.688 1.00 0.00 N ATOM 31 CA CYS A 126 -2.291 8.710 -3.826 1.00 0.00 C ATOM 32 C CYS A 126 -2.265 7.208 -3.566 1.00 0.00 C ATOM 33 O CYS A 126 -1.789 6.432 -4.395 1.00 0.00 O ATOM 34 CB CYS A 126 -3.626 9.106 -4.461 1.00 0.00 C ATOM 35 SG CYS A 126 -3.769 8.671 -6.210 1.00 0.00 S ATOM 0 H CYS A 126 -1.134 8.603 -5.573 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.182 9.228 -2.873 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.435 8.625 -3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -3.763 10.182 -4.353 1.00 0.00 H new ATOM 0 HG CYS A 126 -4.932 9.044 -6.656 1.00 0.00 H new ATOM 41 N CYS A 127 -2.780 6.804 -2.408 1.00 0.00 N ATOM 42 CA CYS A 127 -2.815 5.394 -2.038 1.00 0.00 C ATOM 43 C CYS A 127 -3.805 4.628 -2.910 1.00 0.00 C ATOM 44 O CYS A 127 -4.982 4.981 -2.987 1.00 0.00 O ATOM 45 CB CYS A 127 -3.192 5.241 -0.565 1.00 0.00 C ATOM 46 SG CYS A 127 -2.831 3.609 0.125 1.00 0.00 S ATOM 0 H CYS A 127 -3.178 7.433 -1.711 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.820 4.978 -2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.660 5.995 0.015 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.257 5.444 -0.451 1.00 0.00 H new ATOM 51 N GLN A 128 -3.320 3.577 -3.564 1.00 0.00 N ATOM 52 CA GLN A 128 -4.163 2.761 -4.431 1.00 0.00 C ATOM 53 C GLN A 128 -5.333 2.164 -3.653 1.00 0.00 C ATOM 54 O GLN A 128 -6.380 1.861 -4.225 1.00 0.00 O ATOM 55 CB GLN A 128 -3.339 1.642 -5.071 1.00 0.00 C ATOM 56 CG GLN A 128 -2.022 2.116 -5.660 1.00 0.00 C ATOM 57 CD GLN A 128 -1.607 1.315 -6.878 1.00 0.00 C ATOM 58 OE1 GLN A 128 -2.357 1.202 -7.846 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.403 0.754 -6.836 1.00 0.00 N ATOM 0 H GLN A 128 -2.349 3.271 -3.510 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.563 3.405 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.137 0.877 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -3.930 1.171 -5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.108 3.168 -5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -1.243 2.046 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 128 0.187 0.873 -6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -0.069 0.204 -7.627 1.00 0.00 H new ATOM 68 N VAL A 129 -5.149 1.995 -2.347 1.00 0.00 N ATOM 69 CA VAL A 129 -6.191 1.435 -1.495 1.00 0.00 C ATOM 70 C VAL A 129 -7.472 2.258 -1.580 1.00 0.00 C ATOM 71 O VAL A 129 -7.464 3.466 -1.341 1.00 0.00 O ATOM 72 CB VAL A 129 -5.733 1.360 -0.024 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.780 0.658 0.828 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.389 0.654 0.081 1.00 0.00 C ATOM 0 H VAL A 129 -4.288 2.238 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.389 0.426 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.615 2.376 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.438 0.615 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.719 1.210 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.934 -0.354 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -4.082 0.610 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.478 -0.358 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.643 1.203 -0.494 1.00 0.00 H new ATOM 84 N ASP A 130 -8.572 1.595 -1.923 1.00 0.00 N ATOM 85 CA ASP A 130 -9.864 2.263 -2.043 1.00 0.00 C ATOM 86 C ASP A 130 -10.258 2.934 -0.732 1.00 0.00 C ATOM 87 O ASP A 130 -10.312 4.162 -0.644 1.00 0.00 O ATOM 88 CB ASP A 130 -10.942 1.261 -2.460 1.00 0.00 C ATOM 89 CG ASP A 130 -12.286 1.921 -2.698 1.00 0.00 C ATOM 90 OD1 ASP A 130 -12.309 3.143 -2.953 1.00 0.00 O ATOM 91 OD2 ASP A 130 -13.314 1.217 -2.631 1.00 0.00 O ATOM 0 H ASP A 130 -8.595 0.595 -2.123 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.775 3.033 -2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.626 0.749 -3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.046 0.501 -1.686 1.00 0.00 H new ATOM 96 N ASN A 131 -10.534 2.125 0.283 1.00 0.00 N ATOM 97 CA ASN A 131 -10.926 2.640 1.590 1.00 0.00 C ATOM 98 C ASN A 131 -9.747 3.311 2.289 1.00 0.00 C ATOM 99 O ASN A 131 -9.274 2.840 3.323 1.00 0.00 O ATOM 100 CB ASN A 131 -11.477 1.511 2.462 1.00 0.00 C ATOM 101 CG ASN A 131 -12.671 0.823 1.830 1.00 0.00 C ATOM 102 OD1 ASN A 131 -13.363 1.400 0.992 1.00 0.00 O ATOM 103 ND2 ASN A 131 -12.921 -0.418 2.231 1.00 0.00 N ATOM 0 H ASN A 131 -10.494 1.107 0.227 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.706 3.386 1.439 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -10.691 0.777 2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -11.765 1.913 3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -13.712 -0.930 1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.321 -0.859 2.928 1.00 0.00 H new ATOM 110 N CYS A 132 -9.275 4.416 1.718 1.00 0.00 N ATOM 111 CA CYS A 132 -8.151 5.151 2.288 1.00 0.00 C ATOM 112 C CYS A 132 -8.175 6.611 1.850 1.00 0.00 C ATOM 113 O CYS A 132 -8.379 7.510 2.666 1.00 0.00 O ATOM 114 CB CYS A 132 -6.827 4.504 1.877 1.00 0.00 C ATOM 115 SG CYS A 132 -5.412 5.028 2.873 1.00 0.00 S ATOM 0 H CYS A 132 -9.653 4.821 0.862 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.242 5.115 3.374 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -6.927 3.421 1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.629 4.739 0.831 1.00 0.00 H new ATOM 120 N GLY A 133 -7.964 6.841 0.557 1.00 0.00 N ATOM 121 CA GLY A 133 -7.964 8.195 0.037 1.00 0.00 C ATOM 122 C GLY A 133 -6.908 9.066 0.688 1.00 0.00 C ATOM 123 O GLY A 133 -7.070 10.283 0.786 1.00 0.00 O ATOM 0 H GLY A 133 -7.793 6.114 -0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.795 8.167 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.946 8.641 0.194 1.00 0.00 H new ATOM 127 N ALA A 134 -5.824 8.442 1.138 1.00 0.00 N ATOM 128 CA ALA A 134 -4.737 9.165 1.784 1.00 0.00 C ATOM 129 C ALA A 134 -3.925 9.960 0.768 1.00 0.00 C ATOM 130 O ALA A 134 -4.138 9.847 -0.439 1.00 0.00 O ATOM 131 CB ALA A 134 -3.839 8.200 2.542 1.00 0.00 C ATOM 0 H ALA A 134 -5.676 7.435 1.066 1.00 0.00 H new ATOM 0 HA ALA A 134 -5.173 9.870 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -3.031 8.754 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.422 7.681 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.419 7.472 1.848 1.00 0.00 H new ATOM 137 N ASP A 135 -2.987 10.763 1.264 1.00 0.00 N ATOM 138 CA ASP A 135 -2.140 11.575 0.399 1.00 0.00 C ATOM 139 C ASP A 135 -0.670 11.214 0.583 1.00 0.00 C ATOM 140 O ASP A 135 -0.215 10.974 1.702 1.00 0.00 O ATOM 141 CB ASP A 135 -2.352 13.062 0.693 1.00 0.00 C ATOM 142 CG ASP A 135 -2.255 13.918 -0.553 1.00 0.00 C ATOM 143 OD1 ASP A 135 -2.956 13.612 -1.540 1.00 0.00 O ATOM 144 OD2 ASP A 135 -1.477 14.896 -0.543 1.00 0.00 O ATOM 0 H ASP A 135 -2.795 10.868 2.260 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.419 11.372 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.331 13.203 1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.609 13.395 1.418 1.00 0.00 H new ATOM 149 N LEU A 136 0.067 11.175 -0.521 1.00 0.00 N ATOM 150 CA LEU A 136 1.487 10.842 -0.483 1.00 0.00 C ATOM 151 C LEU A 136 2.336 12.028 -0.930 1.00 0.00 C ATOM 152 O LEU A 136 3.231 11.886 -1.765 1.00 0.00 O ATOM 153 CB LEU A 136 1.770 9.628 -1.370 1.00 0.00 C ATOM 154 CG LEU A 136 1.014 8.355 -0.986 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.133 7.310 -2.084 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.534 7.806 0.334 1.00 0.00 C ATOM 0 H LEU A 136 -0.295 11.370 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 136 1.752 10.599 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.521 9.884 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.839 9.419 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.040 8.604 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.589 6.412 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.713 7.705 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.183 7.063 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.985 6.900 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.595 7.573 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.395 8.551 1.118 1.00 0.00 H new ATOM 168 N SER A 137 2.049 13.199 -0.370 1.00 0.00 N ATOM 169 CA SER A 137 2.787 14.410 -0.709 1.00 0.00 C ATOM 170 C SER A 137 3.878 14.690 0.319 1.00 0.00 C ATOM 171 O SER A 137 4.905 15.288 0.000 1.00 0.00 O ATOM 172 CB SER A 137 1.834 15.604 -0.798 1.00 0.00 C ATOM 173 OG SER A 137 2.510 16.765 -1.246 1.00 0.00 O ATOM 0 H SER A 137 1.311 13.335 0.320 1.00 0.00 H new ATOM 0 HA SER A 137 3.260 14.258 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.016 15.370 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.390 15.792 0.180 1.00 0.00 H new ATOM 0 HG SER A 137 1.878 17.513 -1.296 1.00 0.00 H new ATOM 179 N LYS A 138 3.646 14.256 1.554 1.00 0.00 N ATOM 180 CA LYS A 138 4.609 14.462 2.630 1.00 0.00 C ATOM 181 C LYS A 138 5.464 13.216 2.842 1.00 0.00 C ATOM 182 O LYS A 138 5.844 12.897 3.968 1.00 0.00 O ATOM 183 CB LYS A 138 3.885 14.824 3.928 1.00 0.00 C ATOM 184 CG LYS A 138 4.715 15.682 4.868 1.00 0.00 C ATOM 185 CD LYS A 138 4.454 15.328 6.323 1.00 0.00 C ATOM 186 CE LYS A 138 5.724 15.411 7.155 1.00 0.00 C ATOM 187 NZ LYS A 138 6.225 16.809 7.264 1.00 0.00 N ATOM 0 H LYS A 138 2.800 13.760 1.834 1.00 0.00 H new ATOM 0 HA LYS A 138 5.264 15.286 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.963 15.353 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.600 13.907 4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.773 15.549 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.484 16.734 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.704 16.004 6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.043 14.320 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.531 15.015 8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 138 6.494 14.783 6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.092 16.823 7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.433 17.178 6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.501 17.403 7.715 1.00 0.00 H new ATOM 201 N VAL A 139 5.764 12.516 1.752 1.00 0.00 N ATOM 202 CA VAL A 139 6.574 11.307 1.819 1.00 0.00 C ATOM 203 C VAL A 139 7.928 11.513 1.150 1.00 0.00 C ATOM 204 O VAL A 139 8.217 12.592 0.629 1.00 0.00 O ATOM 205 CB VAL A 139 5.862 10.111 1.158 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.766 9.574 2.064 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.295 10.510 -0.196 1.00 0.00 C ATOM 0 H VAL A 139 5.458 12.766 0.812 1.00 0.00 H new ATOM 0 HA VAL A 139 6.724 11.089 2.876 1.00 0.00 H new ATOM 0 HB VAL A 139 6.593 9.318 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.275 8.730 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 139 5.202 9.247 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 139 4.034 10.359 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.796 9.653 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.578 11.321 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.104 10.843 -0.846 1.00 0.00 H new ATOM 217 N LYS A 140 8.755 10.473 1.165 1.00 0.00 N ATOM 218 CA LYS A 140 10.080 10.542 0.558 1.00 0.00 C ATOM 219 C LYS A 140 10.058 10.001 -0.866 1.00 0.00 C ATOM 220 O LYS A 140 10.209 10.753 -1.831 1.00 0.00 O ATOM 221 CB LYS A 140 11.089 9.755 1.398 1.00 0.00 C ATOM 222 CG LYS A 140 11.217 10.260 2.826 1.00 0.00 C ATOM 223 CD LYS A 140 11.759 11.679 2.869 1.00 0.00 C ATOM 224 CE LYS A 140 12.165 12.079 4.277 1.00 0.00 C ATOM 225 NZ LYS A 140 10.988 12.180 5.185 1.00 0.00 N ATOM 0 H LYS A 140 8.532 9.573 1.590 1.00 0.00 H new ATOM 0 HA LYS A 140 10.381 11.589 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.793 8.706 1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 140 12.065 9.802 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.243 10.227 3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.877 9.600 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 140 12.619 11.761 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 140 11.002 12.370 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 140 12.869 11.347 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 140 12.684 13.037 4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 11.306 12.455 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 10.328 12.896 4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 10.507 11.259 5.234 1.00 0.00 H new ATOM 239 N ASP A 141 9.871 8.697 -0.989 1.00 0.00 N ATOM 240 CA ASP A 141 9.829 8.047 -2.294 1.00 0.00 C ATOM 241 C ASP A 141 9.460 6.572 -2.159 1.00 0.00 C ATOM 242 O ASP A 141 8.720 6.030 -2.979 1.00 0.00 O ATOM 243 CB ASP A 141 11.180 8.183 -2.997 1.00 0.00 C ATOM 244 CG ASP A 141 11.059 8.099 -4.506 1.00 0.00 C ATOM 245 OD1 ASP A 141 10.804 6.989 -5.020 1.00 0.00 O ATOM 246 OD2 ASP A 141 11.216 9.143 -5.174 1.00 0.00 O ATOM 0 H ASP A 141 9.745 8.064 -0.199 1.00 0.00 H new ATOM 0 HA ASP A 141 9.063 8.540 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.634 9.136 -2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.850 7.399 -2.645 1.00 0.00 H new ATOM 251 N TYR A 142 9.982 5.927 -1.119 1.00 0.00 N ATOM 252 CA TYR A 142 9.709 4.513 -0.874 1.00 0.00 C ATOM 253 C TYR A 142 8.211 4.224 -0.912 1.00 0.00 C ATOM 254 O TYR A 142 7.791 3.112 -1.229 1.00 0.00 O ATOM 255 CB TYR A 142 10.286 4.090 0.479 1.00 0.00 C ATOM 256 CG TYR A 142 10.602 2.615 0.569 1.00 0.00 C ATOM 257 CD1 TYR A 142 9.593 1.680 0.769 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.909 2.155 0.454 1.00 0.00 C ATOM 259 CE1 TYR A 142 9.878 0.331 0.852 1.00 0.00 C ATOM 260 CE2 TYR A 142 12.200 0.807 0.537 1.00 0.00 C ATOM 261 CZ TYR A 142 11.182 -0.102 0.735 1.00 0.00 C ATOM 262 OH TYR A 142 11.469 -1.444 0.818 1.00 0.00 O ATOM 0 H TYR A 142 10.597 6.362 -0.431 1.00 0.00 H new ATOM 0 HA TYR A 142 10.188 3.937 -1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.195 4.660 0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.576 4.349 1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.570 2.014 0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 142 12.710 2.863 0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 142 9.082 -0.382 1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 142 13.221 0.466 0.447 1.00 0.00 H new ATOM 0 HH TYR A 142 12.434 -1.579 0.714 1.00 0.00 H new ATOM 272 N HIS A 143 7.409 5.233 -0.586 1.00 0.00 N ATOM 273 CA HIS A 143 5.956 5.086 -0.584 1.00 0.00 C ATOM 274 C HIS A 143 5.331 5.836 -1.757 1.00 0.00 C ATOM 275 O HIS A 143 4.282 5.444 -2.267 1.00 0.00 O ATOM 276 CB HIS A 143 5.373 5.598 0.733 1.00 0.00 C ATOM 277 CG HIS A 143 5.562 4.653 1.880 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.438 4.892 2.917 1.00 0.00 N ATOM 279 CD2 HIS A 143 4.982 3.459 2.149 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.390 3.888 3.774 1.00 0.00 C ATOM 281 NE2 HIS A 143 5.512 3.006 3.331 1.00 0.00 N ATOM 0 H HIS A 143 7.739 6.161 -0.320 1.00 0.00 H new ATOM 0 HA HIS A 143 5.723 4.026 -0.689 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.837 6.553 0.979 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.308 5.787 0.600 1.00 0.00 H new ATOM 0 HD1 HIS A 143 7.031 5.717 3.008 1.00 0.00 H new ATOM 0 HD2 HIS A 143 4.240 2.957 1.546 1.00 0.00 H new ATOM 0 HE1 HIS A 143 6.969 3.803 4.681 1.00 0.00 H new ATOM 289 N ARG A 144 5.983 6.916 -2.177 1.00 0.00 N ATOM 290 CA ARG A 144 5.491 7.722 -3.288 1.00 0.00 C ATOM 291 C ARG A 144 5.416 6.897 -4.570 1.00 0.00 C ATOM 292 O ARG A 144 4.373 6.837 -5.221 1.00 0.00 O ATOM 293 CB ARG A 144 6.393 8.938 -3.502 1.00 0.00 C ATOM 294 CG ARG A 144 5.633 10.210 -3.842 1.00 0.00 C ATOM 295 CD ARG A 144 6.133 10.834 -5.134 1.00 0.00 C ATOM 296 NE ARG A 144 6.039 12.292 -5.112 1.00 0.00 N ATOM 297 CZ ARG A 144 6.135 13.057 -6.196 1.00 0.00 C ATOM 298 NH1 ARG A 144 6.325 12.509 -7.389 1.00 0.00 N ATOM 299 NH2 ARG A 144 6.039 14.375 -6.086 1.00 0.00 N ATOM 0 H ARG A 144 6.853 7.253 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 144 4.486 8.063 -3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.981 9.107 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 144 7.097 8.720 -4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 144 4.570 9.986 -3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 144 5.739 10.926 -3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 144 7.169 10.540 -5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 144 5.553 10.446 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 144 5.891 12.750 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 144 6.398 11.496 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 144 6.398 13.101 -8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 144 5.892 14.801 -5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 144 6.112 14.963 -6.916 1.00 0.00 H new ATOM 313 N ARG A 145 6.528 6.263 -4.926 1.00 0.00 N ATOM 314 CA ARG A 145 6.589 5.443 -6.130 1.00 0.00 C ATOM 315 C ARG A 145 5.793 4.154 -5.954 1.00 0.00 C ATOM 316 O ARG A 145 5.049 3.744 -6.844 1.00 0.00 O ATOM 317 CB ARG A 145 8.044 5.116 -6.475 1.00 0.00 C ATOM 318 CG ARG A 145 8.269 4.835 -7.952 1.00 0.00 C ATOM 319 CD ARG A 145 9.455 5.618 -8.496 1.00 0.00 C ATOM 320 NE ARG A 145 9.626 5.423 -9.933 1.00 0.00 N ATOM 321 CZ ARG A 145 10.200 4.351 -10.474 1.00 0.00 C ATOM 322 NH1 ARG A 145 10.656 3.373 -9.701 1.00 0.00 N ATOM 323 NH2 ARG A 145 10.316 4.255 -11.791 1.00 0.00 N ATOM 0 H ARG A 145 7.400 6.301 -4.398 1.00 0.00 H new ATOM 0 HA ARG A 145 6.147 6.011 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.677 5.950 -6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 145 8.360 4.248 -5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 145 8.438 3.768 -8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 145 7.372 5.095 -8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 145 9.315 6.679 -8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 145 10.362 5.308 -7.978 1.00 0.00 H new ATOM 0 HE ARG A 145 9.285 6.152 -10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 145 10.567 3.441 -8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 145 11.095 2.554 -10.121 1.00 0.00 H new ATOM 0 HH21 ARG A 145 9.965 5.003 -12.390 1.00 0.00 H new ATOM 0 HH22 ARG A 145 10.756 3.433 -12.206 1.00 0.00 H new ATOM 337 N HIS A 146 5.955 3.518 -4.798 1.00 0.00 N ATOM 338 CA HIS A 146 5.252 2.274 -4.504 1.00 0.00 C ATOM 339 C HIS A 146 3.738 2.468 -4.569 1.00 0.00 C ATOM 340 O HIS A 146 2.988 1.507 -4.744 1.00 0.00 O ATOM 341 CB HIS A 146 5.652 1.751 -3.123 1.00 0.00 C ATOM 342 CG HIS A 146 6.938 0.985 -3.123 1.00 0.00 C ATOM 343 ND1 HIS A 146 8.171 1.581 -3.291 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.181 -0.340 -2.973 1.00 0.00 C ATOM 345 CE1 HIS A 146 9.114 0.658 -3.244 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.540 -0.515 -3.053 1.00 0.00 N ATOM 0 H HIS A 146 6.567 3.843 -4.050 1.00 0.00 H new ATOM 0 HA HIS A 146 5.536 1.542 -5.260 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.740 2.593 -2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.857 1.110 -2.742 1.00 0.00 H new ATOM 0 HD1 HIS A 146 8.329 2.579 -3.430 1.00 0.00 H new ATOM 0 HD2 HIS A 146 6.443 -1.114 -2.819 1.00 0.00 H new ATOM 0 HE1 HIS A 146 10.175 0.833 -3.345 1.00 0.00 H new ATOM 354 N LYS A 147 3.294 3.714 -4.423 1.00 0.00 N ATOM 355 CA LYS A 147 1.869 4.028 -4.464 1.00 0.00 C ATOM 356 C LYS A 147 1.140 3.400 -3.280 1.00 0.00 C ATOM 357 O LYS A 147 0.379 2.445 -3.438 1.00 0.00 O ATOM 358 CB LYS A 147 1.253 3.546 -5.782 1.00 0.00 C ATOM 359 CG LYS A 147 0.935 4.673 -6.751 1.00 0.00 C ATOM 360 CD LYS A 147 -0.358 4.412 -7.506 1.00 0.00 C ATOM 361 CE LYS A 147 -0.428 5.222 -8.790 1.00 0.00 C ATOM 362 NZ LYS A 147 -1.110 4.474 -9.883 1.00 0.00 N ATOM 0 H LYS A 147 3.900 4.521 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 147 1.758 5.110 -4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 147 1.940 2.849 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 147 0.338 2.994 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.855 5.612 -6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 147 1.755 4.786 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 147 -0.436 3.350 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 147 -1.208 4.661 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 147 -0.960 6.155 -8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 147 0.580 5.488 -9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 -1.137 5.061 -10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 -0.589 3.596 -10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 -2.081 4.242 -9.592 1.00 0.00 H new ATOM 376 N VAL A 148 1.380 3.945 -2.091 1.00 0.00 N ATOM 377 CA VAL A 148 0.749 3.442 -0.876 1.00 0.00 C ATOM 378 C VAL A 148 1.212 4.231 0.346 1.00 0.00 C ATOM 379 O VAL A 148 2.294 4.817 0.342 1.00 0.00 O ATOM 380 CB VAL A 148 1.055 1.947 -0.657 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.554 1.718 -0.530 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.320 1.421 0.567 1.00 0.00 C ATOM 0 H VAL A 148 2.007 4.736 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.327 3.566 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 148 0.701 1.394 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.748 0.657 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.051 2.049 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.938 2.284 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.550 0.364 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.637 1.978 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.754 1.544 0.427 1.00 0.00 H new ATOM 392 N CYS A 149 0.387 4.242 1.388 1.00 0.00 N ATOM 393 CA CYS A 149 0.718 4.957 2.612 1.00 0.00 C ATOM 394 C CYS A 149 1.484 4.056 3.577 1.00 0.00 C ATOM 395 O CYS A 149 1.738 2.889 3.279 1.00 0.00 O ATOM 396 CB CYS A 149 -0.553 5.492 3.278 1.00 0.00 C ATOM 397 SG CYS A 149 -1.625 4.214 3.976 1.00 0.00 S ATOM 0 H CYS A 149 -0.514 3.764 1.408 1.00 0.00 H new ATOM 0 HA CYS A 149 1.358 5.800 2.351 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.269 6.184 4.071 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.120 6.064 2.544 1.00 0.00 H new ATOM 402 N GLU A 150 1.854 4.604 4.727 1.00 0.00 N ATOM 403 CA GLU A 150 2.597 3.852 5.732 1.00 0.00 C ATOM 404 C GLU A 150 1.718 2.799 6.404 1.00 0.00 C ATOM 405 O GLU A 150 2.217 1.790 6.904 1.00 0.00 O ATOM 406 CB GLU A 150 3.170 4.800 6.787 1.00 0.00 C ATOM 407 CG GLU A 150 4.565 5.307 6.457 1.00 0.00 C ATOM 408 CD GLU A 150 4.772 6.752 6.865 1.00 0.00 C ATOM 409 OE1 GLU A 150 4.464 7.649 6.052 1.00 0.00 O ATOM 410 OE2 GLU A 150 5.245 6.987 7.998 1.00 0.00 O ATOM 0 H GLU A 150 1.652 5.569 4.988 1.00 0.00 H new ATOM 0 HA GLU A 150 3.414 3.339 5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.500 5.652 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.197 4.287 7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 150 5.303 4.682 6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.740 5.207 5.386 1.00 0.00 H new ATOM 417 N ILE A 151 0.411 3.040 6.419 1.00 0.00 N ATOM 418 CA ILE A 151 -0.529 2.112 7.037 1.00 0.00 C ATOM 419 C ILE A 151 -0.590 0.788 6.276 1.00 0.00 C ATOM 420 O ILE A 151 -0.142 -0.244 6.773 1.00 0.00 O ATOM 421 CB ILE A 151 -1.946 2.713 7.117 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.896 4.116 7.727 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.861 1.809 7.930 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.249 4.158 9.094 1.00 0.00 C ATOM 0 H ILE A 151 -0.021 3.869 6.011 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.164 1.926 8.047 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.348 2.790 6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.349 4.776 7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -2.911 4.507 7.802 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.858 2.248 7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.918 0.829 7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.464 1.702 8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.248 5.183 9.465 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.809 3.524 9.781 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.223 3.797 9.022 1.00 0.00 H new ATOM 436 N HIS A 152 -1.154 0.827 5.073 1.00 0.00 N ATOM 437 CA HIS A 152 -1.280 -0.370 4.249 1.00 0.00 C ATOM 438 C HIS A 152 0.090 -0.935 3.883 1.00 0.00 C ATOM 439 O HIS A 152 0.238 -2.139 3.671 1.00 0.00 O ATOM 440 CB HIS A 152 -2.072 -0.058 2.977 1.00 0.00 C ATOM 441 CG HIS A 152 -3.508 0.279 3.237 1.00 0.00 C ATOM 442 ND1 HIS A 152 -4.026 1.546 3.077 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.540 -0.495 3.654 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.311 1.540 3.384 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.648 0.313 3.736 1.00 0.00 N ATOM 0 H HIS A 152 -1.531 1.674 4.647 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.815 -1.121 4.830 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.599 0.776 2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -2.024 -0.917 2.308 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.499 -1.550 3.880 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.973 2.393 3.352 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.580 0.013 4.022 1.00 0.00 H new ATOM 452 N SER A 153 1.089 -0.061 3.809 1.00 0.00 N ATOM 453 CA SER A 153 2.445 -0.480 3.467 1.00 0.00 C ATOM 454 C SER A 153 2.962 -1.518 4.458 1.00 0.00 C ATOM 455 O SER A 153 3.750 -2.394 4.100 1.00 0.00 O ATOM 456 CB SER A 153 3.384 0.727 3.440 1.00 0.00 C ATOM 457 OG SER A 153 4.740 0.318 3.408 1.00 0.00 O ATOM 0 H SER A 153 0.986 0.939 3.981 1.00 0.00 H new ATOM 0 HA SER A 153 2.418 -0.933 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.166 1.342 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.209 1.348 4.319 1.00 0.00 H new ATOM 0 HG SER A 153 5.319 1.107 3.357 1.00 0.00 H new ATOM 463 N LYS A 154 2.512 -1.413 5.704 1.00 0.00 N ATOM 464 CA LYS A 154 2.929 -2.344 6.748 1.00 0.00 C ATOM 465 C LYS A 154 1.720 -2.980 7.422 1.00 0.00 C ATOM 466 O LYS A 154 1.748 -3.282 8.616 1.00 0.00 O ATOM 467 CB LYS A 154 3.789 -1.623 7.788 1.00 0.00 C ATOM 468 CG LYS A 154 5.199 -1.323 7.309 1.00 0.00 C ATOM 469 CD LYS A 154 6.133 -1.017 8.471 1.00 0.00 C ATOM 470 CE LYS A 154 6.431 0.471 8.570 1.00 0.00 C ATOM 471 NZ LYS A 154 6.614 0.910 9.981 1.00 0.00 N ATOM 0 H LYS A 154 1.859 -0.694 6.016 1.00 0.00 H new ATOM 0 HA LYS A 154 3.520 -3.134 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.302 -0.688 8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.843 -2.234 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.582 -2.175 6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.179 -0.475 6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 154 5.682 -1.362 9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 154 7.065 -1.568 8.345 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.331 0.699 8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 154 5.615 1.035 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 6.815 1.930 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 5.746 0.716 10.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 7.409 0.391 10.406 1.00 0.00 H new ATOM 485 N ALA A 155 0.658 -3.183 6.650 1.00 0.00 N ATOM 486 CA ALA A 155 -0.564 -3.785 7.172 1.00 0.00 C ATOM 487 C ALA A 155 -0.662 -5.256 6.781 1.00 0.00 C ATOM 488 O ALA A 155 0.129 -5.749 5.976 1.00 0.00 O ATOM 489 CB ALA A 155 -1.782 -3.024 6.673 1.00 0.00 C ATOM 0 H ALA A 155 0.618 -2.940 5.660 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.532 -3.726 8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.687 -3.484 7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.725 -1.988 7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.808 -3.054 5.584 1.00 0.00 H new ATOM 495 N THR A 156 -1.636 -5.953 7.356 1.00 0.00 N ATOM 496 CA THR A 156 -1.838 -7.367 7.068 1.00 0.00 C ATOM 497 C THR A 156 -2.763 -7.556 5.870 1.00 0.00 C ATOM 498 O THR A 156 -2.640 -8.529 5.126 1.00 0.00 O ATOM 499 CB THR A 156 -2.427 -8.110 8.281 1.00 0.00 C ATOM 500 OG1 THR A 156 -3.238 -7.219 9.057 1.00 0.00 O ATOM 501 CG2 THR A 156 -1.321 -8.685 9.154 1.00 0.00 C ATOM 0 H THR A 156 -2.298 -5.561 8.025 1.00 0.00 H new ATOM 0 HA THR A 156 -0.859 -7.786 6.838 1.00 0.00 H new ATOM 0 HB THR A 156 -3.041 -8.931 7.911 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.610 -7.700 9.825 1.00 0.00 H new ATOM 0 HG21 THR A 156 -1.762 -9.205 10.004 1.00 0.00 H new ATOM 0 HG22 THR A 156 -0.724 -9.385 8.570 1.00 0.00 H new ATOM 0 HG23 THR A 156 -0.684 -7.877 9.514 1.00 0.00 H new ATOM 509 N THR A 157 -3.688 -6.620 5.692 1.00 0.00 N ATOM 510 CA THR A 157 -4.636 -6.684 4.584 1.00 0.00 C ATOM 511 C THR A 157 -4.887 -5.300 3.996 1.00 0.00 C ATOM 512 O THR A 157 -4.519 -4.287 4.589 1.00 0.00 O ATOM 513 CB THR A 157 -5.979 -7.292 5.028 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.339 -6.797 6.323 1.00 0.00 O ATOM 515 CG2 THR A 157 -5.897 -8.811 5.066 1.00 0.00 C ATOM 0 H THR A 157 -3.802 -5.808 6.299 1.00 0.00 H new ATOM 0 HA THR A 157 -4.190 -7.324 3.823 1.00 0.00 H new ATOM 0 HB THR A 157 -6.741 -7.001 4.305 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.195 -7.188 6.596 1.00 0.00 H new ATOM 0 HG21 THR A 157 -6.857 -9.219 5.382 1.00 0.00 H new ATOM 0 HG22 THR A 157 -5.652 -9.187 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.123 -9.116 5.770 1.00 0.00 H new ATOM 523 N ALA A 158 -5.518 -5.265 2.827 1.00 0.00 N ATOM 524 CA ALA A 158 -5.819 -4.005 2.159 1.00 0.00 C ATOM 525 C ALA A 158 -6.904 -4.189 1.103 1.00 0.00 C ATOM 526 O ALA A 158 -7.379 -5.300 0.873 1.00 0.00 O ATOM 527 CB ALA A 158 -4.560 -3.428 1.530 1.00 0.00 C ATOM 0 H ALA A 158 -5.831 -6.095 2.323 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.192 -3.305 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.799 -2.487 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.814 -3.251 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.163 -4.132 0.799 1.00 0.00 H new ATOM 533 N LEU A 159 -7.289 -3.090 0.461 1.00 0.00 N ATOM 534 CA LEU A 159 -8.318 -3.129 -0.571 1.00 0.00 C ATOM 535 C LEU A 159 -7.921 -2.269 -1.768 1.00 0.00 C ATOM 536 O LEU A 159 -8.075 -1.049 -1.743 1.00 0.00 O ATOM 537 CB LEU A 159 -9.657 -2.650 -0.005 1.00 0.00 C ATOM 538 CG LEU A 159 -10.896 -3.174 -0.735 1.00 0.00 C ATOM 539 CD1 LEU A 159 -10.820 -2.847 -2.219 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.043 -4.674 -0.524 1.00 0.00 C ATOM 0 H LEU A 159 -6.904 -2.162 0.638 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.422 -4.161 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.718 -2.948 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.675 -1.560 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 159 -11.775 -2.680 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.709 -3.227 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -10.763 -1.767 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -9.933 -3.313 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -11.929 -5.030 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.161 -5.184 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.144 -4.883 0.541 1.00 0.00 H new ATOM 552 N VAL A 160 -7.412 -2.914 -2.811 1.00 0.00 N ATOM 553 CA VAL A 160 -6.993 -2.207 -4.017 1.00 0.00 C ATOM 554 C VAL A 160 -7.563 -2.868 -5.267 1.00 0.00 C ATOM 555 O VAL A 160 -7.380 -4.066 -5.484 1.00 0.00 O ATOM 556 CB VAL A 160 -5.458 -2.152 -4.135 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.042 -1.184 -5.232 1.00 0.00 C ATOM 558 CG2 VAL A 160 -4.830 -1.764 -2.802 1.00 0.00 C ATOM 0 H VAL A 160 -7.279 -3.925 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.379 -1.191 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.097 -3.145 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -3.955 -1.158 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.458 -1.513 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.415 -0.187 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.746 -1.731 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.196 -0.783 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.099 -2.501 -2.045 1.00 0.00 H new ATOM 568 N GLY A 161 -8.254 -2.080 -6.084 1.00 0.00 N ATOM 569 CA GLY A 161 -8.838 -2.607 -7.302 1.00 0.00 C ATOM 570 C GLY A 161 -9.973 -3.577 -7.030 1.00 0.00 C ATOM 571 O GLY A 161 -10.161 -4.544 -7.768 1.00 0.00 O ATOM 0 H GLY A 161 -8.420 -1.086 -5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.208 -1.782 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.065 -3.110 -7.883 1.00 0.00 H new ATOM 575 N GLY A 162 -10.729 -3.317 -5.969 1.00 0.00 N ATOM 576 CA GLY A 162 -11.841 -4.182 -5.621 1.00 0.00 C ATOM 577 C GLY A 162 -11.391 -5.574 -5.221 1.00 0.00 C ATOM 578 O GLY A 162 -12.128 -6.544 -5.391 1.00 0.00 O ATOM 0 H GLY A 162 -10.592 -2.523 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.402 -3.735 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.521 -4.253 -6.470 1.00 0.00 H new ATOM 582 N ILE A 163 -10.177 -5.670 -4.689 1.00 0.00 N ATOM 583 CA ILE A 163 -9.630 -6.953 -4.263 1.00 0.00 C ATOM 584 C ILE A 163 -8.732 -6.789 -3.040 1.00 0.00 C ATOM 585 O ILE A 163 -8.231 -5.699 -2.769 1.00 0.00 O ATOM 586 CB ILE A 163 -8.824 -7.623 -5.391 1.00 0.00 C ATOM 587 CG1 ILE A 163 -9.630 -7.631 -6.691 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.434 -9.040 -4.995 1.00 0.00 C ATOM 589 CD1 ILE A 163 -8.880 -8.220 -7.865 1.00 0.00 C ATOM 0 H ILE A 163 -9.554 -4.876 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.478 -7.588 -4.006 1.00 0.00 H new ATOM 0 HB ILE A 163 -7.913 -7.048 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.548 -8.198 -6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -9.923 -6.609 -6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -7.865 -9.500 -5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -7.824 -9.011 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.334 -9.626 -4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -9.513 -8.193 -8.752 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -7.975 -7.640 -8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -8.610 -9.253 -7.643 1.00 0.00 H new ATOM 601 N MET A 164 -8.534 -7.879 -2.308 1.00 0.00 N ATOM 602 CA MET A 164 -7.697 -7.856 -1.113 1.00 0.00 C ATOM 603 C MET A 164 -6.242 -8.152 -1.466 1.00 0.00 C ATOM 604 O MET A 164 -5.955 -8.801 -2.470 1.00 0.00 O ATOM 605 CB MET A 164 -8.204 -8.874 -0.090 1.00 0.00 C ATOM 606 CG MET A 164 -9.202 -8.295 0.900 1.00 0.00 C ATOM 607 SD MET A 164 -8.473 -7.974 2.517 1.00 0.00 S ATOM 608 CE MET A 164 -9.039 -6.302 2.819 1.00 0.00 C ATOM 0 H MET A 164 -8.941 -8.790 -2.520 1.00 0.00 H new ATOM 0 HA MET A 164 -7.752 -6.858 -0.678 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.669 -9.706 -0.618 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.354 -9.280 0.459 1.00 0.00 H new ATOM 0 HG2 MET A 164 -9.608 -7.367 0.499 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.037 -8.986 1.013 1.00 0.00 H new ATOM 0 HE1 MET A 164 -8.201 -5.688 3.149 1.00 0.00 H new ATOM 0 HE2 MET A 164 -9.454 -5.887 1.900 1.00 0.00 H new ATOM 0 HE3 MET A 164 -9.807 -6.312 3.592 1.00 0.00 H new ATOM 618 N GLN A 165 -5.328 -7.672 -0.628 1.00 0.00 N ATOM 619 CA GLN A 165 -3.902 -7.885 -0.849 1.00 0.00 C ATOM 620 C GLN A 165 -3.096 -7.493 0.384 1.00 0.00 C ATOM 621 O GLN A 165 -3.657 -7.076 1.399 1.00 0.00 O ATOM 622 CB GLN A 165 -3.425 -7.082 -2.061 1.00 0.00 C ATOM 623 CG GLN A 165 -3.976 -5.665 -2.108 1.00 0.00 C ATOM 624 CD GLN A 165 -4.757 -5.382 -3.377 1.00 0.00 C ATOM 625 OE1 GLN A 165 -5.915 -4.968 -3.328 1.00 0.00 O ATOM 626 NE2 GLN A 165 -4.125 -5.606 -4.523 1.00 0.00 N ATOM 0 H GLN A 165 -5.549 -7.133 0.209 1.00 0.00 H new ATOM 0 HA GLN A 165 -3.745 -8.946 -1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.336 -7.039 -2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -3.716 -7.606 -2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -4.622 -5.502 -1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.152 -4.956 -2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -3.165 -5.949 -4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -4.600 -5.435 -5.409 1.00 0.00 H new ATOM 635 N ARG A 166 -1.776 -7.628 0.290 1.00 0.00 N ATOM 636 CA ARG A 166 -0.893 -7.288 1.399 1.00 0.00 C ATOM 637 C ARG A 166 0.463 -6.811 0.888 1.00 0.00 C ATOM 638 O ARG A 166 1.074 -7.452 0.033 1.00 0.00 O ATOM 639 CB ARG A 166 -0.709 -8.495 2.321 1.00 0.00 C ATOM 640 CG ARG A 166 -0.010 -8.159 3.629 1.00 0.00 C ATOM 641 CD ARG A 166 1.466 -8.526 3.584 1.00 0.00 C ATOM 642 NE ARG A 166 1.965 -8.949 4.891 1.00 0.00 N ATOM 643 CZ ARG A 166 3.232 -9.276 5.129 1.00 0.00 C ATOM 644 NH1 ARG A 166 4.132 -9.232 4.152 1.00 0.00 N ATOM 645 NH2 ARG A 166 3.604 -9.649 6.347 1.00 0.00 N ATOM 0 H ARG A 166 -1.296 -7.970 -0.542 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.354 -6.477 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -1.686 -8.926 2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -0.134 -9.258 1.797 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -0.115 -7.094 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -0.493 -8.691 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 166 1.618 -9.327 2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 166 2.042 -7.669 3.236 1.00 0.00 H new ATOM 0 HE ARG A 166 1.303 -8.996 5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 166 3.852 -8.946 3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 166 5.102 -9.484 4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 166 2.918 -9.685 7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 166 4.576 -9.900 6.529 1.00 0.00 H new ATOM 659 N PHE A 167 0.928 -5.684 1.418 1.00 0.00 N ATOM 660 CA PHE A 167 2.211 -5.123 1.015 1.00 0.00 C ATOM 661 C PHE A 167 3.357 -6.054 1.397 1.00 0.00 C ATOM 662 O PHE A 167 3.641 -6.253 2.580 1.00 0.00 O ATOM 663 CB PHE A 167 2.417 -3.751 1.661 1.00 0.00 C ATOM 664 CG PHE A 167 3.216 -2.803 0.813 1.00 0.00 C ATOM 665 CD1 PHE A 167 2.708 -2.327 -0.386 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.475 -2.386 1.214 1.00 0.00 C ATOM 667 CE1 PHE A 167 3.441 -1.456 -1.168 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.212 -1.515 0.436 1.00 0.00 C ATOM 669 CZ PHE A 167 4.694 -1.048 -0.756 1.00 0.00 C ATOM 0 H PHE A 167 0.435 -5.142 2.127 1.00 0.00 H new ATOM 0 HA PHE A 167 2.205 -5.010 -0.069 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.444 -3.307 1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.920 -3.881 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 167 1.728 -2.641 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.885 -2.746 2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 167 3.034 -1.094 -2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 167 6.193 -1.199 0.760 1.00 0.00 H new ATOM 0 HZ PHE A 167 5.268 -0.365 -1.365 1.00 0.00 H new ATOM 679 N CYS A 168 4.012 -6.622 0.391 1.00 0.00 N ATOM 680 CA CYS A 168 5.128 -7.533 0.621 1.00 0.00 C ATOM 681 C CYS A 168 6.425 -6.768 0.886 1.00 0.00 C ATOM 682 O CYS A 168 7.431 -7.359 1.279 1.00 0.00 O ATOM 683 CB CYS A 168 5.309 -8.462 -0.581 1.00 0.00 C ATOM 684 SG CYS A 168 5.665 -10.178 -0.140 1.00 0.00 S ATOM 0 H CYS A 168 3.790 -6.468 -0.592 1.00 0.00 H new ATOM 0 HA CYS A 168 4.897 -8.127 1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.404 -8.434 -1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.120 -8.082 -1.202 1.00 0.00 H new ATOM 0 HG CYS A 168 4.694 -10.941 -0.546 1.00 0.00 H new ATOM 690 N GLN A 169 6.396 -5.452 0.671 1.00 0.00 N ATOM 691 CA GLN A 169 7.571 -4.612 0.888 1.00 0.00 C ATOM 692 C GLN A 169 8.686 -4.968 -0.091 1.00 0.00 C ATOM 693 O GLN A 169 8.929 -4.243 -1.057 1.00 0.00 O ATOM 694 CB GLN A 169 8.071 -4.752 2.328 1.00 0.00 C ATOM 695 CG GLN A 169 7.510 -3.700 3.272 1.00 0.00 C ATOM 696 CD GLN A 169 8.308 -3.583 4.555 1.00 0.00 C ATOM 697 OE1 GLN A 169 8.569 -4.580 5.230 1.00 0.00 O ATOM 698 NE2 GLN A 169 8.698 -2.361 4.901 1.00 0.00 N ATOM 0 H GLN A 169 5.571 -4.947 0.347 1.00 0.00 H new ATOM 0 HA GLN A 169 7.280 -3.576 0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 169 7.806 -5.741 2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 169 9.159 -4.690 2.334 1.00 0.00 H new ATOM 0 HG2 GLN A 169 7.497 -2.734 2.767 1.00 0.00 H new ATOM 0 HG3 GLN A 169 6.476 -3.948 3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 169 8.459 -1.563 4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 169 9.236 -2.220 5.756 1.00 0.00 H new ATOM 707 N GLN A 170 9.362 -6.083 0.163 1.00 0.00 N ATOM 708 CA GLN A 170 10.452 -6.531 -0.698 1.00 0.00 C ATOM 709 C GLN A 170 9.980 -6.680 -2.141 1.00 0.00 C ATOM 710 O GLN A 170 10.559 -6.094 -3.057 1.00 0.00 O ATOM 711 CB GLN A 170 11.017 -7.860 -0.190 1.00 0.00 C ATOM 712 CG GLN A 170 12.356 -7.722 0.516 1.00 0.00 C ATOM 713 CD GLN A 170 13.344 -8.797 0.111 1.00 0.00 C ATOM 714 OE1 GLN A 170 13.931 -9.469 0.957 1.00 0.00 O ATOM 715 NE2 GLN A 170 13.534 -8.964 -1.194 1.00 0.00 N ATOM 0 H GLN A 170 9.175 -6.694 0.958 1.00 0.00 H new ATOM 0 HA GLN A 170 11.239 -5.777 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 170 10.300 -8.312 0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 170 11.128 -8.543 -1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 170 12.780 -6.743 0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 170 12.200 -7.765 1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 170 13.026 -8.384 -1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 170 14.188 -9.672 -1.528 1.00 0.00 H new ATOM 724 N CYS A 171 8.926 -7.464 -2.336 1.00 0.00 N ATOM 725 CA CYS A 171 8.376 -7.687 -3.668 1.00 0.00 C ATOM 726 C CYS A 171 7.791 -6.400 -4.241 1.00 0.00 C ATOM 727 O CYS A 171 7.705 -6.233 -5.457 1.00 0.00 O ATOM 728 CB CYS A 171 7.297 -8.773 -3.622 1.00 0.00 C ATOM 729 SG CYS A 171 7.794 -10.271 -2.740 1.00 0.00 S ATOM 0 H CYS A 171 8.435 -7.956 -1.589 1.00 0.00 H new ATOM 0 HA CYS A 171 9.188 -8.015 -4.317 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.405 -8.364 -3.147 1.00 0.00 H new ATOM 0 HB3 CYS A 171 7.021 -9.040 -4.642 1.00 0.00 H new ATOM 0 HG CYS A 171 6.996 -10.466 -1.732 1.00 0.00 H new ATOM 735 N SER A 172 7.389 -5.491 -3.356 1.00 0.00 N ATOM 736 CA SER A 172 6.810 -4.218 -3.774 1.00 0.00 C ATOM 737 C SER A 172 5.477 -4.433 -4.481 1.00 0.00 C ATOM 738 O SER A 172 5.144 -5.552 -4.873 1.00 0.00 O ATOM 739 CB SER A 172 7.777 -3.469 -4.695 1.00 0.00 C ATOM 740 OG SER A 172 9.110 -3.912 -4.507 1.00 0.00 O ATOM 0 H SER A 172 7.454 -5.613 -2.345 1.00 0.00 H new ATOM 0 HA SER A 172 6.634 -3.618 -2.881 1.00 0.00 H new ATOM 0 HB2 SER A 172 7.484 -3.620 -5.734 1.00 0.00 H new ATOM 0 HB3 SER A 172 7.715 -2.399 -4.498 1.00 0.00 H new ATOM 0 HG SER A 172 9.706 -3.419 -5.108 1.00 0.00 H new ATOM 746 N ARG A 173 4.717 -3.355 -4.642 1.00 0.00 N ATOM 747 CA ARG A 173 3.417 -3.425 -5.302 1.00 0.00 C ATOM 748 C ARG A 173 2.454 -4.307 -4.513 1.00 0.00 C ATOM 749 O ARG A 173 2.857 -5.308 -3.920 1.00 0.00 O ATOM 750 CB ARG A 173 3.572 -3.964 -6.726 1.00 0.00 C ATOM 751 CG ARG A 173 2.421 -3.589 -7.647 1.00 0.00 C ATOM 752 CD ARG A 173 2.893 -2.739 -8.816 1.00 0.00 C ATOM 753 NE ARG A 173 3.365 -3.556 -9.932 1.00 0.00 N ATOM 754 CZ ARG A 173 2.557 -4.174 -10.791 1.00 0.00 C ATOM 755 NH1 ARG A 173 1.239 -4.071 -10.667 1.00 0.00 N ATOM 756 NH2 ARG A 173 3.069 -4.896 -11.779 1.00 0.00 N ATOM 0 H ARG A 173 4.978 -2.422 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 173 3.005 -2.417 -5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 173 4.503 -3.587 -7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 173 3.657 -5.050 -6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 173 1.946 -4.495 -8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 173 1.665 -3.044 -7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 173 2.076 -2.101 -9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 173 3.695 -2.080 -8.484 1.00 0.00 H new ATOM 0 HE ARG A 173 4.372 -3.659 -10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 173 0.840 -3.516 -9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 173 0.626 -4.547 -11.329 1.00 0.00 H new ATOM 0 HH21 ARG A 173 4.081 -4.977 -11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 173 2.451 -5.370 -12.438 1.00 0.00 H new ATOM 770 N PHE A 174 1.180 -3.928 -4.510 1.00 0.00 N ATOM 771 CA PHE A 174 0.160 -4.684 -3.794 1.00 0.00 C ATOM 772 C PHE A 174 -0.055 -6.051 -4.436 1.00 0.00 C ATOM 773 O PHE A 174 -0.351 -6.148 -5.628 1.00 0.00 O ATOM 774 CB PHE A 174 -1.156 -3.906 -3.765 1.00 0.00 C ATOM 775 CG PHE A 174 -1.236 -2.902 -2.651 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.122 -3.305 -1.330 1.00 0.00 C ATOM 777 CD2 PHE A 174 -1.425 -1.557 -2.925 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.195 -2.383 -0.302 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.499 -0.631 -1.902 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.384 -1.045 -0.589 1.00 0.00 C ATOM 0 H PHE A 174 0.830 -3.102 -4.995 1.00 0.00 H new ATOM 0 HA PHE A 174 0.506 -4.834 -2.771 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -1.285 -3.391 -4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.983 -4.610 -3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.975 -4.350 -1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -1.516 -1.229 -3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.104 -2.708 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.646 0.415 -2.129 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.442 -0.323 0.212 1.00 0.00 H new ATOM 790 N HIS A 175 0.093 -7.103 -3.638 1.00 0.00 N ATOM 791 CA HIS A 175 -0.084 -8.465 -4.127 1.00 0.00 C ATOM 792 C HIS A 175 -1.349 -9.092 -3.548 1.00 0.00 C ATOM 793 O HIS A 175 -1.549 -9.096 -2.332 1.00 0.00 O ATOM 794 CB HIS A 175 1.132 -9.321 -3.772 1.00 0.00 C ATOM 795 CG HIS A 175 2.326 -9.051 -4.637 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.337 -8.089 -5.626 1.00 0.00 N ATOM 797 CD2 HIS A 175 3.553 -9.622 -4.655 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.519 -8.083 -6.217 1.00 0.00 C ATOM 799 NE2 HIS A 175 4.274 -9.002 -5.646 1.00 0.00 N ATOM 0 H HIS A 175 0.335 -7.038 -2.649 1.00 0.00 H new ATOM 0 HA HIS A 175 -0.185 -8.423 -5.212 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.400 -9.143 -2.731 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.863 -10.374 -3.857 1.00 0.00 H new ATOM 0 HD2 HIS A 175 3.900 -10.416 -4.011 1.00 0.00 H new ATOM 0 HE1 HIS A 175 3.816 -7.436 -7.029 1.00 0.00 H new ATOM 0 HE2 HIS A 175 5.238 -9.217 -5.900 1.00 0.00 H new ATOM 807 N VAL A 176 -2.200 -9.617 -4.423 1.00 0.00 N ATOM 808 CA VAL A 176 -3.444 -10.245 -3.999 1.00 0.00 C ATOM 809 C VAL A 176 -3.178 -11.407 -3.045 1.00 0.00 C ATOM 810 O VAL A 176 -2.199 -12.136 -3.198 1.00 0.00 O ATOM 811 CB VAL A 176 -4.256 -10.757 -5.206 1.00 0.00 C ATOM 812 CG1 VAL A 176 -3.472 -11.814 -5.970 1.00 0.00 C ATOM 813 CG2 VAL A 176 -5.602 -11.302 -4.756 1.00 0.00 C ATOM 0 H VAL A 176 -2.050 -9.620 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 176 -4.023 -9.481 -3.481 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.438 -9.918 -5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -4.062 -12.163 -6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -2.537 -11.384 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -3.254 -12.654 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -6.159 -11.658 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -5.446 -12.127 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -6.167 -10.512 -4.261 1.00 0.00 H new ATOM 823 N LEU A 177 -4.056 -11.570 -2.060 1.00 0.00 N ATOM 824 CA LEU A 177 -3.915 -12.642 -1.081 1.00 0.00 C ATOM 825 C LEU A 177 -4.039 -14.008 -1.749 1.00 0.00 C ATOM 826 O LEU A 177 -5.064 -14.324 -2.353 1.00 0.00 O ATOM 827 CB LEU A 177 -4.970 -12.500 0.017 1.00 0.00 C ATOM 828 CG LEU A 177 -4.558 -11.629 1.205 1.00 0.00 C ATOM 829 CD1 LEU A 177 -5.030 -10.196 1.006 1.00 0.00 C ATOM 830 CD2 LEU A 177 -5.113 -12.199 2.502 1.00 0.00 C ATOM 0 H LEU A 177 -4.872 -10.974 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.924 -12.565 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.876 -12.082 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -5.224 -13.494 0.386 1.00 0.00 H new ATOM 0 HG LEU A 177 -3.470 -11.626 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -4.728 -9.591 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -4.585 -9.789 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.116 -10.180 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -4.810 -11.567 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -6.201 -12.232 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -4.726 -13.207 2.651 1.00 0.00 H new ATOM 842 N GLU A 178 -2.989 -14.814 -1.637 1.00 0.00 N ATOM 843 CA GLU A 178 -2.981 -16.147 -2.230 1.00 0.00 C ATOM 844 C GLU A 178 -2.150 -17.110 -1.390 1.00 0.00 C ATOM 845 O GLU A 178 -2.594 -18.212 -1.067 1.00 0.00 O ATOM 846 CB GLU A 178 -2.432 -16.091 -3.656 1.00 0.00 C ATOM 847 CG GLU A 178 -3.434 -15.569 -4.673 1.00 0.00 C ATOM 848 CD GLU A 178 -4.544 -16.561 -4.961 1.00 0.00 C ATOM 849 OE1 GLU A 178 -5.500 -16.630 -4.160 1.00 0.00 O ATOM 850 OE2 GLU A 178 -4.457 -17.269 -5.986 1.00 0.00 O ATOM 0 H GLU A 178 -2.132 -14.568 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 178 -4.008 -16.511 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -1.547 -15.455 -3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -2.112 -17.090 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -3.869 -14.640 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -2.914 -15.332 -5.601 1.00 0.00 H new ATOM 857 N GLU A 179 -0.943 -16.684 -1.044 1.00 0.00 N ATOM 858 CA GLU A 179 -0.042 -17.503 -0.242 1.00 0.00 C ATOM 859 C GLU A 179 0.301 -16.809 1.073 1.00 0.00 C ATOM 860 O GLU A 179 0.423 -17.456 2.114 1.00 0.00 O ATOM 861 CB GLU A 179 1.239 -17.804 -1.022 1.00 0.00 C ATOM 862 CG GLU A 179 1.186 -19.111 -1.798 1.00 0.00 C ATOM 863 CD GLU A 179 0.153 -19.088 -2.908 1.00 0.00 C ATOM 864 OE1 GLU A 179 0.158 -18.128 -3.704 1.00 0.00 O ATOM 865 OE2 GLU A 179 -0.660 -20.033 -2.979 1.00 0.00 O ATOM 0 H GLU A 179 -0.564 -15.774 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.550 -18.440 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.432 -16.986 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 179 2.078 -17.837 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 179 2.168 -19.316 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 179 0.959 -19.928 -1.112 1.00 0.00 H new ATOM 872 N PHE A 180 0.458 -15.490 1.020 1.00 0.00 N ATOM 873 CA PHE A 180 0.787 -14.708 2.207 1.00 0.00 C ATOM 874 C PHE A 180 -0.254 -14.915 3.303 1.00 0.00 C ATOM 875 O PHE A 180 -1.454 -14.779 3.066 1.00 0.00 O ATOM 876 CB PHE A 180 0.885 -13.223 1.854 1.00 0.00 C ATOM 877 CG PHE A 180 1.663 -12.953 0.599 1.00 0.00 C ATOM 878 CD1 PHE A 180 3.028 -13.183 0.549 1.00 0.00 C ATOM 879 CD2 PHE A 180 1.028 -12.466 -0.533 1.00 0.00 C ATOM 880 CE1 PHE A 180 3.746 -12.935 -0.605 1.00 0.00 C ATOM 881 CE2 PHE A 180 1.740 -12.215 -1.692 1.00 0.00 C ATOM 882 CZ PHE A 180 3.101 -12.450 -1.727 1.00 0.00 C ATOM 0 H PHE A 180 0.363 -14.940 0.167 1.00 0.00 H new ATOM 0 HA PHE A 180 1.752 -15.050 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -0.121 -12.818 1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 180 1.353 -12.691 2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 180 3.537 -13.561 1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -0.036 -12.280 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 180 4.810 -13.120 -0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 180 1.233 -11.836 -2.567 1.00 0.00 H new ATOM 0 HZ PHE A 180 3.660 -12.255 -2.630 1.00 0.00 H new ATOM 892 N ASP A 181 0.215 -15.244 4.503 1.00 0.00 N ATOM 893 CA ASP A 181 -0.675 -15.469 5.635 1.00 0.00 C ATOM 894 C ASP A 181 -0.872 -14.186 6.437 1.00 0.00 C ATOM 895 O ASP A 181 -0.274 -13.156 6.060 1.00 0.00 O ATOM 896 CB ASP A 181 -0.115 -16.568 6.540 1.00 0.00 C ATOM 897 CG ASP A 181 -0.288 -17.952 5.944 1.00 0.00 C ATOM 898 OD1 ASP A 181 0.237 -18.190 4.836 1.00 0.00 O ATOM 899 OD2 ASP A 181 -0.948 -18.796 6.586 1.00 0.00 O ATOM 900 OXT ASP A 181 -1.624 -14.221 7.434 1.00 0.00 O ATOM 0 H ASP A 181 1.206 -15.360 4.716 1.00 0.00 H new ATOM 0 HA ASP A 181 -1.643 -15.785 5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 181 0.944 -16.383 6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 181 -0.614 -16.527 7.508 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.486 3.535 2.506 1.00 0.00 ZN