USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 416 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 139 HIS HD1 : A 139 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD NoAdj-H: A 173 HIS HD1 : A 173 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 140 ASN : amide:sc= -0.0131 K(o=-0.013,f=-0.58) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.7!) USER MOD Single : A 157 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0673) USER MOD Single : A 161 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.2!) USER MOD Single : A 166 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0 USER MOD Single : A 183 MET CE :methyl 162:sc= -0.0162 (180deg=-0.741) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 136 -1.328 -9.156 8.572 1.00 0.00 N ATOM 2 CA LEU A 136 -2.342 -9.771 7.669 1.00 0.00 C ATOM 3 C LEU A 136 -1.641 -10.695 6.671 1.00 0.00 C ATOM 4 O LEU A 136 -0.435 -10.655 6.517 1.00 0.00 O ATOM 5 CB LEU A 136 -3.083 -8.667 6.910 1.00 0.00 C ATOM 6 CG LEU A 136 -4.104 -8.007 7.838 1.00 0.00 C ATOM 7 CD1 LEU A 136 -4.251 -6.529 7.468 1.00 0.00 C ATOM 8 CD2 LEU A 136 -5.456 -8.707 7.688 1.00 0.00 C ATOM 0 HA LEU A 136 -3.054 -10.348 8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -2.374 -7.924 6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -3.585 -9.085 6.038 1.00 0.00 H new ATOM 0 HG LEU A 136 -3.764 -8.090 8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.979 -6.059 8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -3.288 -6.030 7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -4.591 -6.444 6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.184 -8.237 8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.796 -8.624 6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -5.352 -9.759 7.952 1.00 0.00 H new ATOM 22 N THR A 137 -2.392 -11.527 5.995 1.00 0.00 N ATOM 23 CA THR A 137 -1.780 -12.460 5.004 1.00 0.00 C ATOM 24 C THR A 137 -2.410 -12.225 3.629 1.00 0.00 C ATOM 25 O THR A 137 -2.663 -13.155 2.884 1.00 0.00 O ATOM 26 CB THR A 137 -2.035 -13.905 5.444 1.00 0.00 C ATOM 27 OG1 THR A 137 -1.875 -14.005 6.852 1.00 0.00 O ATOM 28 CG2 THR A 137 -1.039 -14.835 4.750 1.00 0.00 C ATOM 0 H THR A 137 -3.405 -11.600 6.088 1.00 0.00 H new ATOM 0 HA THR A 137 -0.706 -12.281 4.946 1.00 0.00 H new ATOM 0 HB THR A 137 -3.050 -14.194 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.040 -14.929 7.135 1.00 0.00 H new ATOM 0 HG21 THR A 137 -1.221 -15.863 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 137 -1.162 -14.758 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 137 -0.023 -14.548 5.021 1.00 0.00 H new ATOM 36 N THR A 138 -2.665 -10.985 3.290 1.00 0.00 N ATOM 37 CA THR A 138 -3.281 -10.677 1.968 1.00 0.00 C ATOM 38 C THR A 138 -2.155 -10.459 0.926 1.00 0.00 C ATOM 39 O THR A 138 -1.227 -11.246 0.874 1.00 0.00 O ATOM 40 CB THR A 138 -4.199 -9.451 2.128 1.00 0.00 C ATOM 41 OG1 THR A 138 -4.921 -9.223 0.925 1.00 0.00 O ATOM 42 CG2 THR A 138 -3.380 -8.212 2.489 1.00 0.00 C ATOM 0 H THR A 138 -2.471 -10.173 3.876 1.00 0.00 H new ATOM 0 HA THR A 138 -3.896 -11.502 1.608 1.00 0.00 H new ATOM 0 HB THR A 138 -4.904 -9.649 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 138 -5.504 -8.443 1.036 1.00 0.00 H new ATOM 0 HG21 THR A 138 -4.045 -7.355 2.598 1.00 0.00 H new ATOM 0 HG22 THR A 138 -2.854 -8.385 3.428 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.656 -8.011 1.699 1.00 0.00 H new ATOM 50 N HIS A 139 -2.216 -9.438 0.087 1.00 0.00 N ATOM 51 CA HIS A 139 -1.136 -9.254 -0.932 1.00 0.00 C ATOM 52 C HIS A 139 0.153 -8.761 -0.251 1.00 0.00 C ATOM 53 O HIS A 139 0.474 -9.207 0.835 1.00 0.00 O ATOM 54 CB HIS A 139 -1.610 -8.294 -2.034 1.00 0.00 C ATOM 55 CG HIS A 139 -1.843 -6.909 -1.495 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.817 -5.766 -2.326 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.145 -6.459 -0.238 1.00 0.00 C ATOM 58 CE1 HIS A 139 -2.109 -4.720 -1.525 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.312 -5.101 -0.259 1.00 0.00 N ATOM 0 H HIS A 139 -2.958 -8.738 0.069 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.912 -10.210 -1.405 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -0.866 -8.256 -2.830 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -2.531 -8.673 -2.477 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.238 -7.082 0.639 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -2.171 -3.697 -1.866 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -2.545 -4.500 0.532 1.00 0.00 H new ATOM 67 N ASN A 140 0.918 -7.880 -0.873 1.00 0.00 N ATOM 68 CA ASN A 140 2.192 -7.430 -0.230 1.00 0.00 C ATOM 69 C ASN A 140 2.175 -5.923 0.030 1.00 0.00 C ATOM 70 O ASN A 140 1.518 -5.163 -0.651 1.00 0.00 O ATOM 71 CB ASN A 140 3.368 -7.778 -1.151 1.00 0.00 C ATOM 72 CG ASN A 140 4.524 -8.345 -0.320 1.00 0.00 C ATOM 73 OD1 ASN A 140 5.570 -7.738 -0.220 1.00 0.00 O ATOM 74 ND2 ASN A 140 4.373 -9.491 0.285 1.00 0.00 N ATOM 0 H ASN A 140 0.714 -7.464 -1.782 1.00 0.00 H new ATOM 0 HA ASN A 140 2.299 -7.940 0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.054 -8.506 -1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 140 3.696 -6.889 -1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 140 5.135 -9.878 0.843 1.00 0.00 H new ATOM 0 HD22 ASN A 140 3.493 -10.000 0.200 1.00 0.00 H new ATOM 81 N PHE A 141 2.901 -5.493 1.027 1.00 0.00 N ATOM 82 CA PHE A 141 2.956 -4.037 1.350 1.00 0.00 C ATOM 83 C PHE A 141 4.221 -3.759 2.167 1.00 0.00 C ATOM 84 O PHE A 141 4.301 -4.094 3.335 1.00 0.00 O ATOM 85 CB PHE A 141 1.704 -3.569 2.131 1.00 0.00 C ATOM 86 CG PHE A 141 0.850 -4.736 2.587 1.00 0.00 C ATOM 87 CD1 PHE A 141 1.396 -5.718 3.419 1.00 0.00 C ATOM 88 CD2 PHE A 141 -0.489 -4.821 2.188 1.00 0.00 C ATOM 89 CE1 PHE A 141 0.606 -6.788 3.852 1.00 0.00 C ATOM 90 CE2 PHE A 141 -1.281 -5.888 2.626 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.733 -6.871 3.459 1.00 0.00 C ATOM 0 H PHE A 141 3.461 -6.091 1.635 1.00 0.00 H new ATOM 0 HA PHE A 141 2.978 -3.477 0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 141 2.015 -2.986 2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.109 -2.909 1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.429 -5.650 3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.910 -4.064 1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.030 -7.550 4.490 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.315 -5.953 2.322 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.345 -7.694 3.798 1.00 0.00 H new ATOM 101 N ALA A 142 5.204 -3.143 1.564 1.00 0.00 N ATOM 102 CA ALA A 142 6.466 -2.832 2.295 1.00 0.00 C ATOM 103 C ALA A 142 6.653 -1.315 2.307 1.00 0.00 C ATOM 104 O ALA A 142 5.988 -0.605 1.583 1.00 0.00 O ATOM 105 CB ALA A 142 7.649 -3.495 1.586 1.00 0.00 C ATOM 0 H ALA A 142 5.186 -2.840 0.590 1.00 0.00 H new ATOM 0 HA ALA A 142 6.413 -3.211 3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 142 8.570 -3.266 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 142 7.501 -4.575 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.720 -3.117 0.566 1.00 0.00 H new ATOM 111 N ARG A 143 7.547 -0.813 3.120 1.00 0.00 N ATOM 112 CA ARG A 143 7.757 0.672 3.167 1.00 0.00 C ATOM 113 C ARG A 143 8.951 1.046 2.286 1.00 0.00 C ATOM 114 O ARG A 143 10.043 0.536 2.449 1.00 0.00 O ATOM 115 CB ARG A 143 7.998 1.196 4.614 1.00 0.00 C ATOM 116 CG ARG A 143 8.184 0.056 5.631 1.00 0.00 C ATOM 117 CD ARG A 143 9.585 -0.546 5.487 1.00 0.00 C ATOM 118 NE ARG A 143 10.479 0.016 6.539 1.00 0.00 N ATOM 119 CZ ARG A 143 11.104 1.141 6.331 1.00 0.00 C ATOM 120 NH1 ARG A 143 12.266 1.142 5.737 1.00 0.00 N ATOM 121 NH2 ARG A 143 10.567 2.267 6.717 1.00 0.00 N ATOM 0 H ARG A 143 8.137 -1.358 3.749 1.00 0.00 H new ATOM 0 HA ARG A 143 6.845 1.141 2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.881 1.834 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 143 7.154 1.815 4.918 1.00 0.00 H new ATOM 0 HG2 ARG A 143 8.043 0.434 6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 143 7.429 -0.714 5.470 1.00 0.00 H new ATOM 0 HD2 ARG A 143 9.537 -1.631 5.577 1.00 0.00 H new ATOM 0 HD3 ARG A 143 9.987 -0.326 4.498 1.00 0.00 H new ATOM 0 HE ARG A 143 10.602 -0.480 7.422 1.00 0.00 H new ATOM 0 HH11 ARG A 143 12.685 0.262 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 143 12.755 2.022 5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 143 9.659 2.266 7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 143 11.056 3.147 6.554 1.00 0.00 H new ATOM 135 N LYS A 144 8.743 1.938 1.354 1.00 0.00 N ATOM 136 CA LYS A 144 9.848 2.365 0.450 1.00 0.00 C ATOM 137 C LYS A 144 9.351 3.498 -0.450 1.00 0.00 C ATOM 138 O LYS A 144 8.190 3.547 -0.810 1.00 0.00 O ATOM 139 CB LYS A 144 10.296 1.180 -0.411 1.00 0.00 C ATOM 140 CG LYS A 144 9.095 0.609 -1.171 1.00 0.00 C ATOM 141 CD LYS A 144 9.275 -0.899 -1.354 1.00 0.00 C ATOM 142 CE LYS A 144 10.421 -1.161 -2.332 1.00 0.00 C ATOM 143 NZ LYS A 144 10.338 -2.562 -2.832 1.00 0.00 N ATOM 0 H LYS A 144 7.846 2.392 1.180 1.00 0.00 H new ATOM 0 HA LYS A 144 10.693 2.714 1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.065 1.500 -1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.740 0.409 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 144 8.175 0.812 -0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 144 9.002 1.095 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 144 9.487 -1.370 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.353 -1.343 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 144 10.368 -0.462 -3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 144 11.379 -0.996 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 11.117 -2.740 -3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.409 -3.221 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 9.429 -2.704 -3.318 1.00 0.00 H new ATOM 157 N THR A 145 10.220 4.405 -0.820 1.00 0.00 N ATOM 158 CA THR A 145 9.796 5.532 -1.701 1.00 0.00 C ATOM 159 C THR A 145 9.743 5.037 -3.147 1.00 0.00 C ATOM 160 O THR A 145 10.259 3.981 -3.465 1.00 0.00 O ATOM 161 CB THR A 145 10.802 6.681 -1.585 1.00 0.00 C ATOM 162 OG1 THR A 145 11.044 6.958 -0.212 1.00 0.00 O ATOM 163 CG2 THR A 145 10.240 7.931 -2.267 1.00 0.00 C ATOM 0 H THR A 145 11.203 4.412 -0.550 1.00 0.00 H new ATOM 0 HA THR A 145 8.812 5.889 -1.398 1.00 0.00 H new ATOM 0 HB THR A 145 11.735 6.396 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.689 7.692 -0.135 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.959 8.746 -2.182 1.00 0.00 H new ATOM 0 HG22 THR A 145 10.055 7.719 -3.320 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.306 8.219 -1.785 1.00 0.00 H new ATOM 171 N PHE A 146 9.112 5.779 -4.022 1.00 0.00 N ATOM 172 CA PHE A 146 9.012 5.335 -5.447 1.00 0.00 C ATOM 173 C PHE A 146 9.765 6.311 -6.348 1.00 0.00 C ATOM 174 O PHE A 146 10.070 7.422 -5.957 1.00 0.00 O ATOM 175 CB PHE A 146 7.529 5.272 -5.877 1.00 0.00 C ATOM 176 CG PHE A 146 6.651 4.742 -4.751 1.00 0.00 C ATOM 177 CD1 PHE A 146 7.131 3.756 -3.873 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.358 5.251 -4.584 1.00 0.00 C ATOM 179 CE1 PHE A 146 6.320 3.286 -2.837 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.549 4.777 -3.544 1.00 0.00 C ATOM 181 CZ PHE A 146 5.030 3.796 -2.671 1.00 0.00 C ATOM 0 H PHE A 146 8.663 6.671 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 146 9.455 4.343 -5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.190 6.266 -6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.428 4.631 -6.753 1.00 0.00 H new ATOM 0 HD1 PHE A 146 8.128 3.361 -3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 146 4.984 6.009 -5.257 1.00 0.00 H new ATOM 0 HE1 PHE A 146 6.691 2.527 -2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.551 5.170 -3.416 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.405 3.433 -1.869 1.00 0.00 H new ATOM 191 N LEU A 147 10.069 5.900 -7.552 1.00 0.00 N ATOM 192 CA LEU A 147 10.805 6.792 -8.493 1.00 0.00 C ATOM 193 C LEU A 147 9.810 7.676 -9.246 1.00 0.00 C ATOM 194 O LEU A 147 8.719 7.255 -9.578 1.00 0.00 O ATOM 195 CB LEU A 147 11.591 5.942 -9.498 1.00 0.00 C ATOM 196 CG LEU A 147 10.649 4.943 -10.189 1.00 0.00 C ATOM 197 CD1 LEU A 147 10.917 4.942 -11.698 1.00 0.00 C ATOM 198 CD2 LEU A 147 10.892 3.535 -9.631 1.00 0.00 C ATOM 0 H LEU A 147 9.837 4.979 -7.924 1.00 0.00 H new ATOM 0 HA LEU A 147 11.495 7.420 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 147 12.062 6.585 -10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 147 12.391 5.407 -8.987 1.00 0.00 H new ATOM 0 HG LEU A 147 9.616 5.236 -10.002 1.00 0.00 H new ATOM 0 HD11 LEU A 147 10.248 4.233 -12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 147 10.743 5.940 -12.099 1.00 0.00 H new ATOM 0 HD13 LEU A 147 11.951 4.652 -11.884 1.00 0.00 H new ATOM 0 HD21 LEU A 147 10.223 2.828 -10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 147 11.926 3.244 -9.815 1.00 0.00 H new ATOM 0 HD23 LEU A 147 10.700 3.531 -8.558 1.00 0.00 H new ATOM 210 N LYS A 148 10.185 8.902 -9.517 1.00 0.00 N ATOM 211 CA LYS A 148 9.272 9.833 -10.250 1.00 0.00 C ATOM 212 C LYS A 148 7.977 10.024 -9.456 1.00 0.00 C ATOM 213 O LYS A 148 7.741 9.355 -8.468 1.00 0.00 O ATOM 214 CB LYS A 148 8.944 9.253 -11.629 1.00 0.00 C ATOM 215 CG LYS A 148 10.242 8.940 -12.374 1.00 0.00 C ATOM 216 CD LYS A 148 9.921 8.162 -13.652 1.00 0.00 C ATOM 217 CE LYS A 148 9.470 9.135 -14.744 1.00 0.00 C ATOM 218 NZ LYS A 148 10.639 9.507 -15.591 1.00 0.00 N ATOM 0 H LYS A 148 11.089 9.300 -9.261 1.00 0.00 H new ATOM 0 HA LYS A 148 9.767 10.797 -10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.347 8.348 -11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.346 9.963 -12.201 1.00 0.00 H new ATOM 0 HG2 LYS A 148 10.765 9.864 -12.620 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.908 8.357 -11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 148 10.800 7.609 -13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 148 9.138 7.429 -13.457 1.00 0.00 H new ATOM 0 HE2 LYS A 148 8.694 8.676 -15.357 1.00 0.00 H new ATOM 0 HE3 LYS A 148 9.035 10.027 -14.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 10.333 10.168 -16.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 11.365 9.961 -15.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 11.035 8.652 -16.031 1.00 0.00 H new ATOM 232 N LEU A 149 7.140 10.933 -9.885 1.00 0.00 N ATOM 233 CA LEU A 149 5.857 11.177 -9.166 1.00 0.00 C ATOM 234 C LEU A 149 4.935 9.967 -9.336 1.00 0.00 C ATOM 235 O LEU A 149 4.900 9.346 -10.381 1.00 0.00 O ATOM 236 CB LEU A 149 5.177 12.420 -9.745 1.00 0.00 C ATOM 237 CG LEU A 149 4.050 12.868 -8.812 1.00 0.00 C ATOM 238 CD1 LEU A 149 4.584 13.920 -7.837 1.00 0.00 C ATOM 239 CD2 LEU A 149 2.915 13.473 -9.639 1.00 0.00 C ATOM 0 H LEU A 149 7.292 11.519 -10.706 1.00 0.00 H new ATOM 0 HA LEU A 149 6.060 11.332 -8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 149 5.905 13.223 -9.865 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.778 12.201 -10.735 1.00 0.00 H new ATOM 0 HG LEU A 149 3.677 12.009 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 149 3.782 14.240 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 149 5.395 13.492 -7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 149 4.956 14.779 -8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 149 2.112 13.792 -8.975 1.00 0.00 H new ATOM 0 HD22 LEU A 149 3.289 14.332 -10.196 1.00 0.00 H new ATOM 0 HD23 LEU A 149 2.535 12.726 -10.336 1.00 0.00 H new ATOM 251 N ALA A 150 4.189 9.634 -8.313 1.00 0.00 N ATOM 252 CA ALA A 150 3.263 8.468 -8.403 1.00 0.00 C ATOM 253 C ALA A 150 1.827 8.950 -8.180 1.00 0.00 C ATOM 254 O ALA A 150 1.553 10.134 -8.231 1.00 0.00 O ATOM 255 CB ALA A 150 3.636 7.440 -7.329 1.00 0.00 C ATOM 0 H ALA A 150 4.183 10.122 -7.417 1.00 0.00 H new ATOM 0 HA ALA A 150 3.343 8.006 -9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.961 6.587 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.661 7.104 -7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.552 7.897 -6.343 1.00 0.00 H new ATOM 261 N PHE A 151 0.912 8.045 -7.937 1.00 0.00 N ATOM 262 CA PHE A 151 -0.509 8.449 -7.707 1.00 0.00 C ATOM 263 C PHE A 151 -1.240 7.335 -6.953 1.00 0.00 C ATOM 264 O PHE A 151 -1.152 6.175 -7.310 1.00 0.00 O ATOM 265 CB PHE A 151 -1.196 8.692 -9.054 1.00 0.00 C ATOM 266 CG PHE A 151 -1.193 10.166 -9.380 1.00 0.00 C ATOM 267 CD1 PHE A 151 -2.168 11.007 -8.826 1.00 0.00 C ATOM 268 CD2 PHE A 151 -0.223 10.694 -10.239 1.00 0.00 C ATOM 269 CE1 PHE A 151 -2.171 12.373 -9.132 1.00 0.00 C ATOM 270 CE2 PHE A 151 -0.225 12.060 -10.544 1.00 0.00 C ATOM 271 CZ PHE A 151 -1.198 12.900 -9.990 1.00 0.00 C ATOM 0 H PHE A 151 1.088 7.042 -7.888 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.536 9.365 -7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -0.682 8.137 -9.839 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.220 8.321 -9.021 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.917 10.601 -8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.528 10.047 -10.667 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -2.924 13.020 -8.706 1.00 0.00 H new ATOM 0 HE2 PHE A 151 0.525 12.466 -11.207 1.00 0.00 H new ATOM 0 HZ PHE A 151 -1.198 13.954 -10.224 1.00 0.00 H new ATOM 281 N CYS A 152 -1.949 7.678 -5.904 1.00 0.00 N ATOM 282 CA CYS A 152 -2.670 6.636 -5.113 1.00 0.00 C ATOM 283 C CYS A 152 -4.026 6.312 -5.738 1.00 0.00 C ATOM 284 O CYS A 152 -4.934 7.123 -5.735 1.00 0.00 O ATOM 285 CB CYS A 152 -2.903 7.134 -3.695 1.00 0.00 C ATOM 286 SG CYS A 152 -3.438 5.736 -2.689 1.00 0.00 S ATOM 0 H CYS A 152 -2.058 8.633 -5.563 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.053 5.737 -5.106 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -1.989 7.567 -3.289 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.659 7.920 -3.687 1.00 0.00 H new ATOM 291 N ASP A 153 -4.177 5.113 -6.244 1.00 0.00 N ATOM 292 CA ASP A 153 -5.489 4.712 -6.855 1.00 0.00 C ATOM 293 C ASP A 153 -6.603 4.638 -5.785 1.00 0.00 C ATOM 294 O ASP A 153 -7.769 4.510 -6.107 1.00 0.00 O ATOM 295 CB ASP A 153 -5.339 3.342 -7.517 1.00 0.00 C ATOM 296 CG ASP A 153 -4.640 3.502 -8.869 1.00 0.00 C ATOM 297 OD1 ASP A 153 -5.198 4.165 -9.727 1.00 0.00 O ATOM 298 OD2 ASP A 153 -3.557 2.961 -9.023 1.00 0.00 O ATOM 0 H ASP A 153 -3.453 4.395 -6.262 1.00 0.00 H new ATOM 0 HA ASP A 153 -5.768 5.463 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -4.763 2.677 -6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.318 2.883 -7.654 1.00 0.00 H new ATOM 303 N ILE A 154 -6.254 4.705 -4.523 1.00 0.00 N ATOM 304 CA ILE A 154 -7.275 4.625 -3.425 1.00 0.00 C ATOM 305 C ILE A 154 -7.728 6.025 -3.028 1.00 0.00 C ATOM 306 O ILE A 154 -8.822 6.210 -2.528 1.00 0.00 O ATOM 307 CB ILE A 154 -6.605 3.960 -2.210 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.175 2.521 -2.622 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.532 3.979 -0.962 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.181 1.455 -2.156 1.00 0.00 C ATOM 0 H ILE A 154 -5.292 4.813 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.140 4.054 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.719 4.522 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.072 2.471 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.195 2.302 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.024 3.501 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.770 5.010 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.453 3.439 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -6.837 0.469 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.265 1.484 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.156 1.656 -2.600 1.00 0.00 H new ATOM 322 N CYS A 155 -6.875 6.996 -3.191 1.00 0.00 N ATOM 323 CA CYS A 155 -7.231 8.366 -2.758 1.00 0.00 C ATOM 324 C CYS A 155 -7.734 9.222 -3.926 1.00 0.00 C ATOM 325 O CYS A 155 -8.920 9.275 -4.172 1.00 0.00 O ATOM 326 CB CYS A 155 -6.006 8.970 -2.106 1.00 0.00 C ATOM 327 SG CYS A 155 -5.722 8.110 -0.538 1.00 0.00 S ATOM 0 H CYS A 155 -5.948 6.896 -3.605 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.055 8.329 -2.046 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.139 8.869 -2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.153 10.036 -1.934 1.00 0.00 H new ATOM 332 N GLN A 156 -6.855 9.890 -4.643 1.00 0.00 N ATOM 333 CA GLN A 156 -7.293 10.754 -5.797 1.00 0.00 C ATOM 334 C GLN A 156 -6.137 11.637 -6.299 1.00 0.00 C ATOM 335 O GLN A 156 -6.190 12.138 -7.407 1.00 0.00 O ATOM 336 CB GLN A 156 -8.466 11.673 -5.386 1.00 0.00 C ATOM 337 CG GLN A 156 -9.793 11.113 -5.925 1.00 0.00 C ATOM 338 CD GLN A 156 -10.585 12.224 -6.617 1.00 0.00 C ATOM 339 OE1 GLN A 156 -10.012 13.148 -7.162 1.00 0.00 O ATOM 340 NE2 GLN A 156 -11.890 12.175 -6.620 1.00 0.00 N ATOM 0 H GLN A 156 -5.848 9.875 -4.479 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.613 10.082 -6.594 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.511 11.754 -4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.303 12.679 -5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.597 10.303 -6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.379 10.692 -5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -12.372 11.401 -6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -12.427 12.911 -7.079 1.00 0.00 H new ATOM 349 N LYS A 157 -5.108 11.848 -5.510 1.00 0.00 N ATOM 350 CA LYS A 157 -3.988 12.710 -5.972 1.00 0.00 C ATOM 351 C LYS A 157 -2.707 11.890 -6.009 1.00 0.00 C ATOM 352 O LYS A 157 -2.722 10.694 -5.812 1.00 0.00 O ATOM 353 CB LYS A 157 -3.816 13.892 -5.010 1.00 0.00 C ATOM 354 CG LYS A 157 -3.620 13.380 -3.573 1.00 0.00 C ATOM 355 CD LYS A 157 -4.768 13.867 -2.679 1.00 0.00 C ATOM 356 CE LYS A 157 -4.218 14.300 -1.319 1.00 0.00 C ATOM 357 NZ LYS A 157 -3.528 15.615 -1.458 1.00 0.00 N ATOM 0 H LYS A 157 -5.002 11.460 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.207 13.090 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -2.958 14.493 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -4.691 14.540 -5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -3.582 12.291 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -2.667 13.734 -3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.283 14.701 -3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.502 13.072 -2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -5.029 14.377 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -3.523 13.551 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -3.409 16.046 -0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -2.595 15.473 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -4.098 16.245 -2.058 1.00 0.00 H new ATOM 371 N PHE A 158 -1.606 12.529 -6.283 1.00 0.00 N ATOM 372 CA PHE A 158 -0.289 11.830 -6.366 1.00 0.00 C ATOM 373 C PHE A 158 -0.086 10.859 -5.177 1.00 0.00 C ATOM 374 O PHE A 158 -0.830 10.864 -4.214 1.00 0.00 O ATOM 375 CB PHE A 158 0.812 12.909 -6.334 1.00 0.00 C ATOM 376 CG PHE A 158 0.957 13.416 -4.916 1.00 0.00 C ATOM 377 CD1 PHE A 158 -0.038 14.223 -4.359 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.048 13.010 -4.147 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.062 14.630 -3.028 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.156 13.423 -2.819 1.00 0.00 C ATOM 381 CZ PHE A 158 1.161 14.233 -2.254 1.00 0.00 C ATOM 0 H PHE A 158 -1.560 13.533 -6.458 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.249 11.242 -7.283 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.757 12.494 -6.685 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.556 13.730 -7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.883 14.531 -4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.808 12.377 -4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.708 15.251 -2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 158 3.006 13.119 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.241 14.550 -1.225 1.00 0.00 H new ATOM 391 N LEU A 159 0.958 10.086 -5.235 1.00 0.00 N ATOM 392 CA LEU A 159 1.294 9.159 -4.119 1.00 0.00 C ATOM 393 C LEU A 159 2.756 9.402 -3.758 1.00 0.00 C ATOM 394 O LEU A 159 3.573 9.681 -4.617 1.00 0.00 O ATOM 395 CB LEU A 159 1.099 7.710 -4.569 1.00 0.00 C ATOM 396 CG LEU A 159 1.444 6.737 -3.435 1.00 0.00 C ATOM 397 CD1 LEU A 159 0.619 7.051 -2.183 1.00 0.00 C ATOM 398 CD2 LEU A 159 1.122 5.323 -3.900 1.00 0.00 C ATOM 0 H LEU A 159 1.606 10.056 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 159 0.649 9.335 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.066 7.558 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.729 7.505 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 159 2.501 6.834 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.879 6.349 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 159 0.832 8.067 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.442 6.960 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 159 1.361 4.616 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 159 0.062 5.252 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 159 1.713 5.088 -4.785 1.00 0.00 H new ATOM 410 N LEU A 160 3.088 9.331 -2.502 1.00 0.00 N ATOM 411 CA LEU A 160 4.482 9.590 -2.079 1.00 0.00 C ATOM 412 C LEU A 160 5.057 8.346 -1.413 1.00 0.00 C ATOM 413 O LEU A 160 4.452 7.291 -1.428 1.00 0.00 O ATOM 414 CB LEU A 160 4.465 10.743 -1.079 1.00 0.00 C ATOM 415 CG LEU A 160 3.504 10.422 0.073 1.00 0.00 C ATOM 416 CD1 LEU A 160 4.084 10.947 1.388 1.00 0.00 C ATOM 417 CD2 LEU A 160 2.152 11.092 -0.187 1.00 0.00 C ATOM 0 H LEU A 160 2.444 9.102 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 160 5.098 9.843 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.469 10.913 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.156 11.662 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 160 3.370 9.342 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 160 3.400 10.718 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 160 5.046 10.471 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.220 12.026 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.469 10.864 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 160 2.288 12.171 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.735 10.719 -1.122 1.00 0.00 H new ATOM 429 N ASN A 161 6.222 8.461 -0.816 1.00 0.00 N ATOM 430 CA ASN A 161 6.839 7.282 -0.135 1.00 0.00 C ATOM 431 C ASN A 161 5.846 6.730 0.887 1.00 0.00 C ATOM 432 O ASN A 161 5.636 7.309 1.937 1.00 0.00 O ATOM 433 CB ASN A 161 8.129 7.712 0.570 1.00 0.00 C ATOM 434 CG ASN A 161 7.837 8.886 1.508 1.00 0.00 C ATOM 435 OD1 ASN A 161 7.697 10.010 1.069 1.00 0.00 O ATOM 436 ND2 ASN A 161 7.739 8.670 2.792 1.00 0.00 N ATOM 0 H ASN A 161 6.769 9.321 -0.773 1.00 0.00 H new ATOM 0 HA ASN A 161 7.079 6.511 -0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.542 6.876 1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.879 8.000 -0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 161 7.545 9.445 3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 161 7.856 7.726 3.161 1.00 0.00 H new ATOM 443 N GLY A 162 5.215 5.633 0.567 1.00 0.00 N ATOM 444 CA GLY A 162 4.208 5.058 1.504 1.00 0.00 C ATOM 445 C GLY A 162 4.368 3.547 1.587 1.00 0.00 C ATOM 446 O GLY A 162 5.263 3.043 2.243 1.00 0.00 O ATOM 0 H GLY A 162 5.352 5.112 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.329 5.498 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.202 5.306 1.165 1.00 0.00 H new ATOM 450 N PHE A 163 3.500 2.820 0.936 1.00 0.00 N ATOM 451 CA PHE A 163 3.584 1.338 0.984 1.00 0.00 C ATOM 452 C PHE A 163 3.079 0.731 -0.330 1.00 0.00 C ATOM 453 O PHE A 163 1.923 0.867 -0.689 1.00 0.00 O ATOM 454 CB PHE A 163 2.720 0.821 2.136 1.00 0.00 C ATOM 455 CG PHE A 163 3.550 0.748 3.396 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.723 1.890 4.187 1.00 0.00 C ATOM 457 CD2 PHE A 163 4.144 -0.462 3.774 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.491 1.822 5.355 1.00 0.00 C ATOM 459 CE2 PHE A 163 4.912 -0.530 4.942 1.00 0.00 C ATOM 460 CZ PHE A 163 5.086 0.612 5.733 1.00 0.00 C ATOM 0 H PHE A 163 2.736 3.193 0.373 1.00 0.00 H new ATOM 0 HA PHE A 163 4.624 1.049 1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.866 1.481 2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.322 -0.164 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 163 3.264 2.823 3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 163 4.010 -1.343 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 163 4.625 2.703 5.965 1.00 0.00 H new ATOM 0 HE2 PHE A 163 5.370 -1.463 5.233 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.679 0.560 6.634 1.00 0.00 H new ATOM 470 N ARG A 164 3.947 0.064 -1.041 1.00 0.00 N ATOM 471 CA ARG A 164 3.551 -0.578 -2.331 1.00 0.00 C ATOM 472 C ARG A 164 3.758 -2.090 -2.244 1.00 0.00 C ATOM 473 O ARG A 164 4.606 -2.561 -1.511 1.00 0.00 O ATOM 474 CB ARG A 164 4.429 -0.064 -3.479 1.00 0.00 C ATOM 475 CG ARG A 164 5.885 0.088 -3.025 1.00 0.00 C ATOM 476 CD ARG A 164 6.723 0.643 -4.178 1.00 0.00 C ATOM 477 NE ARG A 164 7.282 -0.488 -4.973 1.00 0.00 N ATOM 478 CZ ARG A 164 7.480 -0.349 -6.256 1.00 0.00 C ATOM 479 NH1 ARG A 164 6.498 -0.542 -7.094 1.00 0.00 N ATOM 480 NH2 ARG A 164 8.662 -0.021 -6.702 1.00 0.00 N ATOM 0 H ARG A 164 4.925 -0.066 -0.782 1.00 0.00 H new ATOM 0 HA ARG A 164 2.504 -0.336 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.376 -0.755 -4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 164 4.051 0.896 -3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.941 0.756 -2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.280 -0.876 -2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 164 6.109 1.281 -4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 164 7.531 1.263 -3.789 1.00 0.00 H new ATOM 0 HE ARG A 164 7.510 -1.370 -4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 164 5.575 -0.802 -6.747 1.00 0.00 H new ATOM 0 HH12 ARG A 164 6.654 -0.433 -8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 164 9.431 0.127 -6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 164 8.817 0.088 -7.704 1.00 0.00 H new ATOM 494 N CYS A 165 3.021 -2.852 -3.020 1.00 0.00 N ATOM 495 CA CYS A 165 3.224 -4.332 -3.006 1.00 0.00 C ATOM 496 C CYS A 165 4.268 -4.649 -4.063 1.00 0.00 C ATOM 497 O CYS A 165 4.157 -4.211 -5.200 1.00 0.00 O ATOM 498 CB CYS A 165 1.953 -5.154 -3.344 1.00 0.00 C ATOM 499 SG CYS A 165 0.425 -4.167 -3.314 1.00 0.00 S ATOM 0 H CYS A 165 2.297 -2.515 -3.654 1.00 0.00 H new ATOM 0 HA CYS A 165 3.518 -4.608 -1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 165 2.070 -5.600 -4.332 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.860 -5.975 -2.633 1.00 0.00 H new ATOM 504 N GLN A 166 5.263 -5.410 -3.696 1.00 0.00 N ATOM 505 CA GLN A 166 6.331 -5.782 -4.665 1.00 0.00 C ATOM 506 C GLN A 166 5.964 -7.082 -5.397 1.00 0.00 C ATOM 507 O GLN A 166 6.811 -7.710 -6.006 1.00 0.00 O ATOM 508 CB GLN A 166 7.642 -5.978 -3.905 1.00 0.00 C ATOM 509 CG GLN A 166 7.449 -7.015 -2.796 1.00 0.00 C ATOM 510 CD GLN A 166 8.750 -7.795 -2.593 1.00 0.00 C ATOM 511 OE1 GLN A 166 9.783 -7.216 -2.319 1.00 0.00 O ATOM 512 NE2 GLN A 166 8.745 -9.095 -2.720 1.00 0.00 N ATOM 0 H GLN A 166 5.382 -5.793 -2.758 1.00 0.00 H new ATOM 0 HA GLN A 166 6.439 -4.986 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 166 8.424 -6.306 -4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.970 -5.031 -3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 166 7.160 -6.521 -1.868 1.00 0.00 H new ATOM 0 HG3 GLN A 166 6.641 -7.698 -3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 166 7.879 -9.582 -2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 166 9.608 -9.624 -2.589 1.00 0.00 H new ATOM 521 N THR A 167 4.717 -7.493 -5.347 1.00 0.00 N ATOM 522 CA THR A 167 4.308 -8.747 -6.040 1.00 0.00 C ATOM 523 C THR A 167 3.326 -8.387 -7.160 1.00 0.00 C ATOM 524 O THR A 167 3.463 -8.814 -8.291 1.00 0.00 O ATOM 525 CB THR A 167 3.694 -9.707 -4.998 1.00 0.00 C ATOM 526 OG1 THR A 167 3.858 -11.047 -5.433 1.00 0.00 O ATOM 527 CG2 THR A 167 2.202 -9.433 -4.750 1.00 0.00 C ATOM 0 H THR A 167 3.967 -7.009 -4.853 1.00 0.00 H new ATOM 0 HA THR A 167 5.159 -9.254 -6.496 1.00 0.00 H new ATOM 0 HB THR A 167 4.219 -9.541 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 167 3.470 -11.656 -4.770 1.00 0.00 H new ATOM 0 HG21 THR A 167 1.821 -10.136 -4.009 1.00 0.00 H new ATOM 0 HG22 THR A 167 2.075 -8.415 -4.382 1.00 0.00 H new ATOM 0 HG23 THR A 167 1.650 -9.554 -5.682 1.00 0.00 H new ATOM 535 N CYS A 168 2.360 -7.574 -6.841 1.00 0.00 N ATOM 536 CA CYS A 168 1.371 -7.129 -7.859 1.00 0.00 C ATOM 537 C CYS A 168 1.847 -5.785 -8.427 1.00 0.00 C ATOM 538 O CYS A 168 1.533 -5.430 -9.548 1.00 0.00 O ATOM 539 CB CYS A 168 -0.015 -6.959 -7.205 1.00 0.00 C ATOM 540 SG CYS A 168 0.098 -5.755 -5.851 1.00 0.00 S ATOM 0 H CYS A 168 2.212 -7.194 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 168 1.289 -7.869 -8.655 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -0.740 -6.622 -7.946 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.370 -7.917 -6.825 1.00 0.00 H new ATOM 545 N GLY A 169 2.597 -5.032 -7.647 1.00 0.00 N ATOM 546 CA GLY A 169 3.083 -3.712 -8.128 1.00 0.00 C ATOM 547 C GLY A 169 2.011 -2.663 -7.853 1.00 0.00 C ATOM 548 O GLY A 169 1.579 -1.957 -8.746 1.00 0.00 O ATOM 0 H GLY A 169 2.888 -5.283 -6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 169 4.011 -3.445 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 169 3.302 -3.757 -9.195 1.00 0.00 H new ATOM 552 N TYR A 170 1.582 -2.551 -6.620 1.00 0.00 N ATOM 553 CA TYR A 170 0.532 -1.530 -6.287 1.00 0.00 C ATOM 554 C TYR A 170 1.165 -0.452 -5.421 1.00 0.00 C ATOM 555 O TYR A 170 2.311 -0.566 -5.047 1.00 0.00 O ATOM 556 CB TYR A 170 -0.636 -2.182 -5.532 1.00 0.00 C ATOM 557 CG TYR A 170 -1.952 -1.711 -6.108 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.343 -2.116 -7.389 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.781 -0.872 -5.357 1.00 0.00 C ATOM 560 CE1 TYR A 170 -3.565 -1.683 -7.918 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.003 -0.438 -5.883 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.394 -0.843 -7.165 1.00 0.00 C ATOM 563 OH TYR A 170 -5.600 -0.417 -7.686 1.00 0.00 O ATOM 0 H TYR A 170 1.907 -3.115 -5.835 1.00 0.00 H new ATOM 0 HA TYR A 170 0.143 -1.096 -7.208 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.566 -3.267 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.582 -1.929 -4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -1.702 -2.763 -7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.478 -0.558 -4.369 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -3.868 -1.997 -8.906 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.643 0.208 -5.301 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.053 0.158 -7.035 1.00 0.00 H new ATOM 573 N LYS A 171 0.445 0.598 -5.113 1.00 0.00 N ATOM 574 CA LYS A 171 1.046 1.684 -4.285 1.00 0.00 C ATOM 575 C LYS A 171 -0.042 2.530 -3.611 1.00 0.00 C ATOM 576 O LYS A 171 -1.070 2.815 -4.200 1.00 0.00 O ATOM 577 CB LYS A 171 1.892 2.563 -5.209 1.00 0.00 C ATOM 578 CG LYS A 171 1.034 3.105 -6.360 1.00 0.00 C ATOM 579 CD LYS A 171 1.275 2.267 -7.617 1.00 0.00 C ATOM 580 CE LYS A 171 2.394 2.899 -8.445 1.00 0.00 C ATOM 581 NZ LYS A 171 3.018 1.861 -9.313 1.00 0.00 N ATOM 0 H LYS A 171 -0.523 0.748 -5.397 1.00 0.00 H new ATOM 0 HA LYS A 171 1.659 1.248 -3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 171 2.319 3.391 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.726 1.986 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.021 3.074 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 171 1.283 4.148 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 171 1.544 1.247 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 171 0.361 2.207 -8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 171 1.995 3.708 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 171 3.145 3.337 -7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 3.779 2.291 -9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 3.412 1.103 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 2.299 1.463 -9.950 1.00 0.00 H new ATOM 595 N PHE A 172 0.177 2.949 -2.380 1.00 0.00 N ATOM 596 CA PHE A 172 -0.851 3.798 -1.692 1.00 0.00 C ATOM 597 C PHE A 172 -0.385 4.224 -0.289 1.00 0.00 C ATOM 598 O PHE A 172 0.681 3.859 0.159 1.00 0.00 O ATOM 599 CB PHE A 172 -2.176 3.046 -1.597 1.00 0.00 C ATOM 600 CG PHE A 172 -1.973 1.626 -1.103 1.00 0.00 C ATOM 601 CD1 PHE A 172 -1.457 1.382 0.178 1.00 0.00 C ATOM 602 CD2 PHE A 172 -2.340 0.555 -1.922 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.307 0.068 0.633 1.00 0.00 C ATOM 604 CE2 PHE A 172 -2.188 -0.759 -1.468 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.672 -1.003 -0.189 1.00 0.00 C ATOM 0 H PHE A 172 1.011 2.742 -1.831 1.00 0.00 H new ATOM 0 HA PHE A 172 -0.990 4.700 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -2.849 3.575 -0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.656 3.027 -2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -1.175 2.209 0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -2.742 0.742 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -0.909 -0.120 1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -2.469 -1.586 -2.104 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.556 -2.018 0.162 1.00 0.00 H new ATOM 615 N HIS A 173 -1.176 5.029 0.390 1.00 0.00 N ATOM 616 CA HIS A 173 -0.784 5.530 1.752 1.00 0.00 C ATOM 617 C HIS A 173 -1.377 4.641 2.874 1.00 0.00 C ATOM 618 O HIS A 173 -1.764 3.512 2.649 1.00 0.00 O ATOM 619 CB HIS A 173 -1.288 6.970 1.958 1.00 0.00 C ATOM 620 CG HIS A 173 -1.436 7.711 0.680 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.612 7.671 -0.074 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.610 8.593 0.070 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.427 8.542 -1.075 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.226 9.122 -1.024 1.00 0.00 N ATOM 0 H HIS A 173 -2.081 5.362 0.057 1.00 0.00 H new ATOM 0 HA HIS A 173 0.304 5.498 1.806 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.249 6.945 2.472 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.593 7.505 2.606 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.388 8.840 0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.165 8.751 -1.836 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.848 9.816 -1.669 1.00 0.00 H new ATOM 632 N GLU A 174 -1.438 5.161 4.092 1.00 0.00 N ATOM 633 CA GLU A 174 -1.985 4.380 5.253 1.00 0.00 C ATOM 634 C GLU A 174 -3.510 4.223 5.133 1.00 0.00 C ATOM 635 O GLU A 174 -4.085 3.295 5.667 1.00 0.00 O ATOM 636 CB GLU A 174 -1.656 5.117 6.552 1.00 0.00 C ATOM 637 CG GLU A 174 -1.754 4.147 7.732 1.00 0.00 C ATOM 638 CD GLU A 174 -0.815 4.606 8.850 1.00 0.00 C ATOM 639 OE1 GLU A 174 -0.691 5.805 9.039 1.00 0.00 O ATOM 640 OE2 GLU A 174 -0.234 3.751 9.497 1.00 0.00 O ATOM 0 H GLU A 174 -1.127 6.104 4.326 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.531 3.389 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -0.653 5.540 6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -2.345 5.949 6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -2.780 4.106 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -1.489 3.139 7.411 1.00 0.00 H new ATOM 647 N HIS A 175 -4.162 5.101 4.408 1.00 0.00 N ATOM 648 CA HIS A 175 -5.648 4.988 4.212 1.00 0.00 C ATOM 649 C HIS A 175 -5.970 3.792 3.330 1.00 0.00 C ATOM 650 O HIS A 175 -7.121 3.529 3.032 1.00 0.00 O ATOM 651 CB HIS A 175 -6.132 6.207 3.420 1.00 0.00 C ATOM 652 CG HIS A 175 -6.303 7.386 4.337 1.00 0.00 C ATOM 653 ND1 HIS A 175 -5.461 8.510 4.273 1.00 0.00 N ATOM 654 CD2 HIS A 175 -7.202 7.644 5.339 1.00 0.00 C ATOM 655 CE1 HIS A 175 -5.889 9.364 5.219 1.00 0.00 C ATOM 656 NE2 HIS A 175 -6.941 8.876 5.885 1.00 0.00 N ATOM 0 H HIS A 175 -3.728 5.897 3.940 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.116 4.903 5.193 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.415 6.448 2.635 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.078 5.979 2.929 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -7.994 6.980 5.651 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -5.439 10.326 5.417 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -7.448 9.328 6.646 1.00 0.00 H new ATOM 664 N CYS A 176 -4.965 3.170 2.789 1.00 0.00 N ATOM 665 CA CYS A 176 -5.191 2.127 1.797 1.00 0.00 C ATOM 666 C CYS A 176 -4.404 0.870 2.164 1.00 0.00 C ATOM 667 O CYS A 176 -3.949 0.134 1.311 1.00 0.00 O ATOM 668 CB CYS A 176 -4.712 2.737 0.466 1.00 0.00 C ATOM 669 SG CYS A 176 -4.829 4.589 0.520 1.00 0.00 S ATOM 0 H CYS A 176 -3.985 3.354 3.006 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.235 1.819 1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -3.682 2.437 0.272 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.316 2.352 -0.355 1.00 0.00 H new ATOM 674 N SER A 177 -4.266 0.611 3.441 1.00 0.00 N ATOM 675 CA SER A 177 -3.534 -0.605 3.896 1.00 0.00 C ATOM 676 C SER A 177 -4.519 -1.521 4.626 1.00 0.00 C ATOM 677 O SER A 177 -4.539 -2.718 4.418 1.00 0.00 O ATOM 678 CB SER A 177 -2.406 -0.201 4.847 1.00 0.00 C ATOM 679 OG SER A 177 -1.193 -0.098 4.116 1.00 0.00 O ATOM 0 H SER A 177 -4.633 1.196 4.191 1.00 0.00 H new ATOM 0 HA SER A 177 -3.105 -1.125 3.039 1.00 0.00 H new ATOM 0 HB2 SER A 177 -2.639 0.751 5.323 1.00 0.00 H new ATOM 0 HB3 SER A 177 -2.303 -0.939 5.643 1.00 0.00 H new ATOM 0 HG SER A 177 -0.467 0.162 4.721 1.00 0.00 H new ATOM 685 N THR A 178 -5.342 -0.956 5.473 1.00 0.00 N ATOM 686 CA THR A 178 -6.342 -1.777 6.216 1.00 0.00 C ATOM 687 C THR A 178 -7.719 -1.617 5.560 1.00 0.00 C ATOM 688 O THR A 178 -8.742 -1.785 6.196 1.00 0.00 O ATOM 689 CB THR A 178 -6.410 -1.306 7.671 1.00 0.00 C ATOM 690 OG1 THR A 178 -5.097 -1.033 8.142 1.00 0.00 O ATOM 691 CG2 THR A 178 -7.046 -2.397 8.532 1.00 0.00 C ATOM 0 H THR A 178 -5.363 0.042 5.682 1.00 0.00 H new ATOM 0 HA THR A 178 -6.046 -2.826 6.189 1.00 0.00 H new ATOM 0 HB THR A 178 -7.013 -0.400 7.732 1.00 0.00 H new ATOM 0 HG1 THR A 178 -5.140 -0.730 9.073 1.00 0.00 H new ATOM 0 HG21 THR A 178 -7.094 -2.061 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 178 -8.053 -2.605 8.171 1.00 0.00 H new ATOM 0 HG23 THR A 178 -6.445 -3.304 8.472 1.00 0.00 H new ATOM 699 N LYS A 179 -7.748 -1.299 4.288 1.00 0.00 N ATOM 700 CA LYS A 179 -9.050 -1.132 3.577 1.00 0.00 C ATOM 701 C LYS A 179 -8.974 -1.786 2.189 1.00 0.00 C ATOM 702 O LYS A 179 -9.809 -1.540 1.338 1.00 0.00 O ATOM 703 CB LYS A 179 -9.351 0.360 3.415 1.00 0.00 C ATOM 704 CG LYS A 179 -9.974 0.904 4.701 1.00 0.00 C ATOM 705 CD LYS A 179 -10.372 2.368 4.495 1.00 0.00 C ATOM 706 CE LYS A 179 -11.297 2.811 5.629 1.00 0.00 C ATOM 707 NZ LYS A 179 -11.455 4.292 5.592 1.00 0.00 N ATOM 0 H LYS A 179 -6.921 -1.148 3.711 1.00 0.00 H new ATOM 0 HA LYS A 179 -9.840 -1.608 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -8.434 0.903 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -10.031 0.515 2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -10.849 0.313 4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -9.265 0.821 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -9.482 2.997 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -10.874 2.488 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -12.269 2.328 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -10.885 2.502 6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -12.084 4.593 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -10.525 4.743 5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -11.866 4.575 4.679 1.00 0.00 H new ATOM 721 N VAL A 180 -7.981 -2.614 1.950 1.00 0.00 N ATOM 722 CA VAL A 180 -7.853 -3.279 0.624 1.00 0.00 C ATOM 723 C VAL A 180 -8.875 -4.436 0.537 1.00 0.00 C ATOM 724 O VAL A 180 -8.907 -5.270 1.418 1.00 0.00 O ATOM 725 CB VAL A 180 -6.433 -3.835 0.483 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.251 -4.457 -0.903 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.422 -2.699 0.663 1.00 0.00 C ATOM 0 H VAL A 180 -7.254 -2.854 2.624 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.047 -2.563 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.271 -4.598 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.239 -4.850 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.968 -5.267 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.416 -3.698 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.411 -3.093 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -5.592 -1.937 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -5.543 -2.257 1.652 1.00 0.00 H new ATOM 737 N PRO A 181 -9.687 -4.473 -0.510 1.00 0.00 N ATOM 738 CA PRO A 181 -10.690 -5.542 -0.670 1.00 0.00 C ATOM 739 C PRO A 181 -10.015 -6.821 -1.169 1.00 0.00 C ATOM 740 O PRO A 181 -9.577 -6.896 -2.298 1.00 0.00 O ATOM 741 CB PRO A 181 -11.657 -4.987 -1.720 1.00 0.00 C ATOM 742 CG PRO A 181 -10.871 -3.916 -2.511 1.00 0.00 C ATOM 743 CD PRO A 181 -9.693 -3.484 -1.619 1.00 0.00 C ATOM 0 HA PRO A 181 -11.195 -5.801 0.261 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -12.009 -5.779 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -12.537 -4.552 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -10.512 -4.320 -3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -11.509 -3.065 -2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -8.752 -3.498 -2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -9.829 -2.469 -1.246 1.00 0.00 H new ATOM 751 N THR A 182 -9.919 -7.822 -0.326 1.00 0.00 N ATOM 752 CA THR A 182 -9.261 -9.108 -0.725 1.00 0.00 C ATOM 753 C THR A 182 -7.849 -8.821 -1.274 1.00 0.00 C ATOM 754 O THR A 182 -7.417 -7.683 -1.321 1.00 0.00 O ATOM 755 CB THR A 182 -10.170 -9.856 -1.746 1.00 0.00 C ATOM 756 OG1 THR A 182 -10.208 -11.233 -1.400 1.00 0.00 O ATOM 757 CG2 THR A 182 -9.684 -9.730 -3.205 1.00 0.00 C ATOM 0 H THR A 182 -10.272 -7.803 0.631 1.00 0.00 H new ATOM 0 HA THR A 182 -9.137 -9.762 0.138 1.00 0.00 H new ATOM 0 HB THR A 182 -11.156 -9.395 -1.693 1.00 0.00 H new ATOM 0 HG1 THR A 182 -10.779 -11.714 -2.035 1.00 0.00 H new ATOM 0 HG21 THR A 182 -10.362 -10.274 -3.863 1.00 0.00 H new ATOM 0 HG22 THR A 182 -9.665 -8.679 -3.493 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.681 -10.148 -3.292 1.00 0.00 H new ATOM 765 N MET A 183 -7.137 -9.837 -1.688 1.00 0.00 N ATOM 766 CA MET A 183 -5.765 -9.614 -2.229 1.00 0.00 C ATOM 767 C MET A 183 -5.866 -8.844 -3.546 1.00 0.00 C ATOM 768 O MET A 183 -6.938 -8.433 -3.952 1.00 0.00 O ATOM 769 CB MET A 183 -5.069 -10.963 -2.461 1.00 0.00 C ATOM 770 CG MET A 183 -3.860 -11.084 -1.525 1.00 0.00 C ATOM 771 SD MET A 183 -3.405 -12.826 -1.344 1.00 0.00 S ATOM 772 CE MET A 183 -3.012 -13.144 -3.082 1.00 0.00 C ATOM 0 H MET A 183 -7.446 -10.809 -1.675 1.00 0.00 H new ATOM 0 HA MET A 183 -5.179 -9.037 -1.514 1.00 0.00 H new ATOM 0 HB2 MET A 183 -5.767 -11.780 -2.278 1.00 0.00 H new ATOM 0 HB3 MET A 183 -4.748 -11.044 -3.499 1.00 0.00 H new ATOM 0 HG2 MET A 183 -3.019 -10.518 -1.925 1.00 0.00 H new ATOM 0 HG3 MET A 183 -4.097 -10.656 -0.551 1.00 0.00 H new ATOM 0 HE1 MET A 183 -2.411 -14.050 -3.159 1.00 0.00 H new ATOM 0 HE2 MET A 183 -3.936 -13.272 -3.646 1.00 0.00 H new ATOM 0 HE3 MET A 183 -2.452 -12.302 -3.488 1.00 0.00 H new ATOM 782 N CYS A 184 -4.758 -8.632 -4.208 1.00 0.00 N ATOM 783 CA CYS A 184 -4.774 -7.879 -5.484 1.00 0.00 C ATOM 784 C CYS A 184 -4.334 -8.789 -6.634 1.00 0.00 C ATOM 785 O CYS A 184 -3.541 -8.403 -7.476 1.00 0.00 O ATOM 786 CB CYS A 184 -3.823 -6.692 -5.359 1.00 0.00 C ATOM 787 SG CYS A 184 -2.165 -7.250 -4.920 1.00 0.00 S ATOM 0 H CYS A 184 -3.837 -8.954 -3.911 1.00 0.00 H new ATOM 0 HA CYS A 184 -5.783 -7.523 -5.694 1.00 0.00 H new ATOM 0 HB2 CYS A 184 -3.791 -6.144 -6.301 1.00 0.00 H new ATOM 0 HB3 CYS A 184 -4.193 -6.001 -4.601 1.00 0.00 H new ATOM 792 N VAL A 185 -4.845 -9.991 -6.678 1.00 0.00 N ATOM 793 CA VAL A 185 -4.466 -10.934 -7.773 1.00 0.00 C ATOM 794 C VAL A 185 -5.645 -11.867 -8.063 1.00 0.00 C ATOM 795 O VAL A 185 -5.501 -13.077 -8.102 1.00 0.00 O ATOM 796 CB VAL A 185 -3.247 -11.751 -7.341 1.00 0.00 C ATOM 797 CG1 VAL A 185 -2.764 -12.603 -8.515 1.00 0.00 C ATOM 798 CG2 VAL A 185 -2.125 -10.805 -6.907 1.00 0.00 C ATOM 0 H VAL A 185 -5.511 -10.362 -6.001 1.00 0.00 H new ATOM 0 HA VAL A 185 -4.218 -10.375 -8.675 1.00 0.00 H new ATOM 0 HB VAL A 185 -3.521 -12.398 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -1.895 -13.186 -8.209 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -3.561 -13.277 -8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -2.490 -11.954 -9.347 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -1.257 -11.388 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -1.851 -10.158 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -2.467 -10.194 -6.071 1.00 0.00 H new ATOM 808 N ASP A 186 -6.812 -11.311 -8.267 1.00 0.00 N ATOM 809 CA ASP A 186 -8.010 -12.154 -8.554 1.00 0.00 C ATOM 810 C ASP A 186 -9.179 -11.258 -8.983 1.00 0.00 C ATOM 811 O ASP A 186 -10.207 -11.202 -8.333 1.00 0.00 O ATOM 812 CB ASP A 186 -8.393 -12.946 -7.297 1.00 0.00 C ATOM 813 CG ASP A 186 -8.486 -12.003 -6.093 1.00 0.00 C ATOM 814 OD1 ASP A 186 -8.833 -10.850 -6.292 1.00 0.00 O ATOM 815 OD2 ASP A 186 -8.209 -12.451 -4.992 1.00 0.00 O ATOM 0 H ASP A 186 -6.986 -10.306 -8.247 1.00 0.00 H new ATOM 0 HA ASP A 186 -7.780 -12.851 -9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 186 -9.348 -13.449 -7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 186 -7.652 -13.722 -7.106 1.00 0.00 H new ATOM 820 N TRP A 187 -9.027 -10.559 -10.080 1.00 0.00 N ATOM 821 CA TRP A 187 -10.121 -9.666 -10.564 1.00 0.00 C ATOM 822 C TRP A 187 -11.025 -10.447 -11.519 1.00 0.00 C ATOM 823 O TRP A 187 -10.589 -11.476 -12.010 1.00 0.00 O ATOM 824 CB TRP A 187 -9.514 -8.463 -11.300 1.00 0.00 C ATOM 825 CG TRP A 187 -9.463 -7.284 -10.382 1.00 0.00 C ATOM 826 CD1 TRP A 187 -8.497 -7.057 -9.460 1.00 0.00 C ATOM 827 CD2 TRP A 187 -10.395 -6.169 -10.280 1.00 0.00 C ATOM 828 NE1 TRP A 187 -8.780 -5.875 -8.799 1.00 0.00 N ATOM 829 CE2 TRP A 187 -9.939 -5.290 -9.269 1.00 0.00 C ATOM 830 CE3 TRP A 187 -11.582 -5.838 -10.959 1.00 0.00 C ATOM 831 CZ2 TRP A 187 -10.636 -4.125 -8.944 1.00 0.00 C ATOM 832 CZ3 TRP A 187 -12.285 -4.666 -10.635 1.00 0.00 C ATOM 833 CH2 TRP A 187 -11.812 -3.811 -9.629 1.00 0.00 C ATOM 834 OXT TRP A 187 -12.140 -10.004 -11.744 1.00 0.00 O ATOM 0 H TRP A 187 -8.189 -10.569 -10.662 1.00 0.00 H new ATOM 0 HA TRP A 187 -10.706 -9.312 -9.715 1.00 0.00 H new ATOM 0 HB2 TRP A 187 -8.511 -8.707 -11.650 1.00 0.00 H new ATOM 0 HB3 TRP A 187 -10.110 -8.225 -12.181 1.00 0.00 H new ATOM 0 HD1 TRP A 187 -7.646 -7.694 -9.272 1.00 0.00 H new ATOM 0 HE1 TRP A 187 -8.203 -5.483 -8.055 1.00 0.00 H new ATOM 0 HE3 TRP A 187 -11.955 -6.490 -11.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 187 -10.268 -3.470 -8.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 187 -13.195 -4.422 -11.163 1.00 0.00 H new ATOM 0 HH2 TRP A 187 -12.356 -2.911 -9.384 1.00 0.00 H new TER 845 TRP A 187 HETATM 846 ZN ZN A 1 -4.103 6.463 -0.639 1.00 0.00 ZN HETATM 847 ZN ZN A 2 -1.447 -5.188 -4.228 1.00 0.00 ZN