USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=11 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 Set 1.1: A 138 THR OG1 : rot -84:sc= -1.63 USER MOD Set 1.2: A 183 MET CE :methyl 155:sc= -2.21 (180deg=-0.063) USER MOD Set 2.1: A 144 LYS NZ :NH3+ -147:sc= -0.0298 (180deg=-0.537) USER MOD Set 2.2: A 166 GLN : amide:sc= -0.24 K(o=-0.27,f=-2.7!) USER MOD Single : A 137 THR OG1 : rot 5:sc= 0.443 USER MOD Single : A 140 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.8!) USER MOD Single : A 145 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 ASN : amide:sc= -1.85 X(o=-1.8,f=-1.9!) USER MOD Single : A 167 THR OG1 : rot 91:sc= 0.596 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= -0.028 X(o=-0.028,f=0) USER MOD Single : A 177 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.000496) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 136 -2.284 -14.555 3.310 1.00 0.00 N ATOM 2 CA LEU A 136 -1.110 -15.448 3.091 1.00 0.00 C ATOM 3 C LEU A 136 -0.735 -15.442 1.606 1.00 0.00 C ATOM 4 O LEU A 136 -1.496 -15.875 0.764 1.00 0.00 O ATOM 5 CB LEU A 136 -1.465 -16.874 3.535 1.00 0.00 C ATOM 6 CG LEU A 136 -0.742 -17.206 4.844 1.00 0.00 C ATOM 7 CD1 LEU A 136 -1.640 -18.082 5.720 1.00 0.00 C ATOM 8 CD2 LEU A 136 0.554 -17.957 4.534 1.00 0.00 C ATOM 0 HA LEU A 136 -0.262 -15.091 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -2.543 -16.964 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -1.181 -17.587 2.761 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.511 -16.282 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -1.123 -18.317 6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -2.564 -17.548 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -1.874 -19.006 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 136 1.069 -18.194 5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 136 0.321 -18.880 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.196 -17.333 3.912 1.00 0.00 H new ATOM 22 N THR A 137 0.438 -14.950 1.284 1.00 0.00 N ATOM 23 CA THR A 137 0.898 -14.901 -0.145 1.00 0.00 C ATOM 24 C THR A 137 -0.184 -14.284 -1.043 1.00 0.00 C ATOM 25 O THR A 137 -0.398 -14.715 -2.159 1.00 0.00 O ATOM 26 CB THR A 137 1.229 -16.317 -0.636 1.00 0.00 C ATOM 27 OG1 THR A 137 0.034 -17.078 -0.741 1.00 0.00 O ATOM 28 CG2 THR A 137 2.182 -16.991 0.351 1.00 0.00 C ATOM 0 H THR A 137 1.106 -14.575 1.958 1.00 0.00 H new ATOM 0 HA THR A 137 1.792 -14.279 -0.197 1.00 0.00 H new ATOM 0 HB THR A 137 1.705 -16.258 -1.615 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.737 -16.503 -0.555 1.00 0.00 H new ATOM 0 HG21 THR A 137 2.416 -17.996 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.101 -16.409 0.425 1.00 0.00 H new ATOM 0 HG23 THR A 137 1.709 -17.049 1.331 1.00 0.00 H new ATOM 36 N THR A 138 -0.858 -13.272 -0.558 1.00 0.00 N ATOM 37 CA THR A 138 -1.923 -12.611 -1.370 1.00 0.00 C ATOM 38 C THR A 138 -1.686 -11.091 -1.421 1.00 0.00 C ATOM 39 O THR A 138 -2.546 -10.341 -1.840 1.00 0.00 O ATOM 40 CB THR A 138 -3.285 -12.898 -0.738 1.00 0.00 C ATOM 41 OG1 THR A 138 -3.189 -12.743 0.672 1.00 0.00 O ATOM 42 CG2 THR A 138 -3.710 -14.330 -1.072 1.00 0.00 C ATOM 0 H THR A 138 -0.715 -12.874 0.370 1.00 0.00 H new ATOM 0 HA THR A 138 -1.897 -13.004 -2.386 1.00 0.00 H new ATOM 0 HB THR A 138 -4.027 -12.202 -1.130 1.00 0.00 H new ATOM 0 HG1 THR A 138 -2.846 -13.570 1.069 1.00 0.00 H new ATOM 0 HG21 THR A 138 -4.681 -14.536 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 138 -3.780 -14.446 -2.154 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.972 -15.030 -0.679 1.00 0.00 H new ATOM 50 N HIS A 139 -0.527 -10.636 -1.002 1.00 0.00 N ATOM 51 CA HIS A 139 -0.224 -9.173 -1.024 1.00 0.00 C ATOM 52 C HIS A 139 1.170 -8.959 -0.448 1.00 0.00 C ATOM 53 O HIS A 139 1.821 -9.890 -0.013 1.00 0.00 O ATOM 54 CB HIS A 139 -1.250 -8.407 -0.183 1.00 0.00 C ATOM 55 CG HIS A 139 -1.577 -7.069 -0.819 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.360 -6.783 -2.189 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.120 -5.929 -0.284 1.00 0.00 C ATOM 58 CE1 HIS A 139 -1.780 -5.520 -2.383 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.245 -4.971 -1.255 1.00 0.00 N ATOM 0 H HIS A 139 0.226 -11.223 -0.643 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.270 -8.805 -2.049 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.160 -8.999 -0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.859 -8.251 0.822 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.407 -5.805 0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.746 -5.010 -3.335 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -2.618 -4.028 -1.141 1.00 0.00 H new ATOM 67 N ASN A 140 1.628 -7.744 -0.453 1.00 0.00 N ATOM 68 CA ASN A 140 2.991 -7.454 0.082 1.00 0.00 C ATOM 69 C ASN A 140 3.078 -5.992 0.504 1.00 0.00 C ATOM 70 O ASN A 140 2.362 -5.148 -0.002 1.00 0.00 O ATOM 71 CB ASN A 140 4.033 -7.735 -1.003 1.00 0.00 C ATOM 72 CG ASN A 140 5.357 -8.140 -0.349 1.00 0.00 C ATOM 73 OD1 ASN A 140 5.367 -8.767 0.692 1.00 0.00 O ATOM 74 ND2 ASN A 140 6.482 -7.806 -0.920 1.00 0.00 N ATOM 0 H ASN A 140 1.119 -6.933 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 140 3.183 -8.090 0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.682 -8.530 -1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.177 -6.849 -1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 140 7.369 -8.071 -0.493 1.00 0.00 H new ATOM 0 HD22 ASN A 140 6.474 -7.280 -1.794 1.00 0.00 H new ATOM 81 N PHE A 141 3.947 -5.688 1.432 1.00 0.00 N ATOM 82 CA PHE A 141 4.087 -4.281 1.898 1.00 0.00 C ATOM 83 C PHE A 141 5.563 -3.964 2.141 1.00 0.00 C ATOM 84 O PHE A 141 6.229 -4.621 2.918 1.00 0.00 O ATOM 85 CB PHE A 141 3.309 -4.098 3.201 1.00 0.00 C ATOM 86 CG PHE A 141 1.833 -3.979 2.902 1.00 0.00 C ATOM 87 CD1 PHE A 141 1.092 -5.117 2.557 1.00 0.00 C ATOM 88 CD2 PHE A 141 1.206 -2.732 2.977 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.278 -5.004 2.290 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.161 -2.618 2.708 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.904 -3.755 2.366 1.00 0.00 C ATOM 0 H PHE A 141 4.567 -6.358 1.888 1.00 0.00 H new ATOM 0 HA PHE A 141 3.692 -3.608 1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.488 -4.944 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.657 -3.206 3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.577 -6.080 2.497 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.778 -1.856 3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.851 -5.880 2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.644 -1.654 2.764 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.961 -3.668 2.161 1.00 0.00 H new ATOM 101 N ALA A 142 6.072 -2.956 1.485 1.00 0.00 N ATOM 102 CA ALA A 142 7.500 -2.572 1.671 1.00 0.00 C ATOM 103 C ALA A 142 7.594 -1.047 1.697 1.00 0.00 C ATOM 104 O ALA A 142 7.395 -0.391 0.694 1.00 0.00 O ATOM 105 CB ALA A 142 8.334 -3.120 0.511 1.00 0.00 C ATOM 0 H ALA A 142 5.555 -2.378 0.823 1.00 0.00 H new ATOM 0 HA ALA A 142 7.880 -2.985 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.378 -2.838 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.252 -4.207 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.967 -2.706 -0.428 1.00 0.00 H new ATOM 111 N ARG A 143 7.873 -0.481 2.845 1.00 0.00 N ATOM 112 CA ARG A 143 7.954 1.006 2.951 1.00 0.00 C ATOM 113 C ARG A 143 9.113 1.546 2.102 1.00 0.00 C ATOM 114 O ARG A 143 10.229 1.684 2.567 1.00 0.00 O ATOM 115 CB ARG A 143 8.163 1.410 4.416 1.00 0.00 C ATOM 116 CG ARG A 143 9.415 0.730 4.978 1.00 0.00 C ATOM 117 CD ARG A 143 9.204 0.420 6.460 1.00 0.00 C ATOM 118 NE ARG A 143 9.711 1.556 7.281 1.00 0.00 N ATOM 119 CZ ARG A 143 10.988 1.665 7.525 1.00 0.00 C ATOM 120 NH1 ARG A 143 11.619 0.704 8.143 1.00 0.00 N ATOM 121 NH2 ARG A 143 11.636 2.734 7.150 1.00 0.00 N ATOM 0 H ARG A 143 8.048 -0.986 3.714 1.00 0.00 H new ATOM 0 HA ARG A 143 7.020 1.431 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.263 2.493 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 143 7.291 1.129 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 143 9.620 -0.189 4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 143 10.282 1.378 4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 143 8.145 0.256 6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 143 9.726 -0.498 6.729 1.00 0.00 H new ATOM 0 HE ARG A 143 9.060 2.248 7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 143 11.114 -0.132 8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 143 12.617 0.789 8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 143 11.144 3.485 6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 143 12.634 2.818 7.341 1.00 0.00 H new ATOM 135 N LYS A 144 8.846 1.867 0.865 1.00 0.00 N ATOM 136 CA LYS A 144 9.912 2.422 -0.026 1.00 0.00 C ATOM 137 C LYS A 144 9.294 3.529 -0.879 1.00 0.00 C ATOM 138 O LYS A 144 8.133 3.465 -1.240 1.00 0.00 O ATOM 139 CB LYS A 144 10.510 1.329 -0.940 1.00 0.00 C ATOM 140 CG LYS A 144 9.540 0.150 -1.108 1.00 0.00 C ATOM 141 CD LYS A 144 10.063 -0.790 -2.193 1.00 0.00 C ATOM 142 CE LYS A 144 11.392 -1.414 -1.754 1.00 0.00 C ATOM 143 NZ LYS A 144 11.222 -2.888 -1.607 1.00 0.00 N ATOM 0 H LYS A 144 7.930 1.769 0.428 1.00 0.00 H new ATOM 0 HA LYS A 144 10.722 2.815 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 144 10.741 1.755 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 144 11.449 0.972 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 144 9.437 -0.387 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.549 0.516 -1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 144 9.332 -1.574 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 144 10.200 -0.242 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 144 12.168 -1.198 -2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 144 11.717 -0.978 -0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 11.834 -3.233 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.230 -3.102 -1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 11.484 -3.358 -2.497 1.00 0.00 H new ATOM 157 N THR A 145 10.051 4.550 -1.190 1.00 0.00 N ATOM 158 CA THR A 145 9.499 5.673 -2.004 1.00 0.00 C ATOM 159 C THR A 145 9.491 5.291 -3.484 1.00 0.00 C ATOM 160 O THR A 145 10.154 4.359 -3.900 1.00 0.00 O ATOM 161 CB THR A 145 10.358 6.923 -1.802 1.00 0.00 C ATOM 162 OG1 THR A 145 10.675 7.060 -0.424 1.00 0.00 O ATOM 163 CG2 THR A 145 9.586 8.156 -2.277 1.00 0.00 C ATOM 0 H THR A 145 11.028 4.654 -0.915 1.00 0.00 H new ATOM 0 HA THR A 145 8.478 5.877 -1.683 1.00 0.00 H new ATOM 0 HB THR A 145 11.279 6.830 -2.378 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.227 7.859 -0.293 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.198 9.046 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.344 8.049 -3.334 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.665 8.252 -1.702 1.00 0.00 H new ATOM 171 N PHE A 146 8.739 6.008 -4.278 1.00 0.00 N ATOM 172 CA PHE A 146 8.666 5.702 -5.737 1.00 0.00 C ATOM 173 C PHE A 146 9.581 6.655 -6.509 1.00 0.00 C ATOM 174 O PHE A 146 9.827 7.769 -6.086 1.00 0.00 O ATOM 175 CB PHE A 146 7.227 5.882 -6.226 1.00 0.00 C ATOM 176 CG PHE A 146 6.287 5.069 -5.366 1.00 0.00 C ATOM 177 CD1 PHE A 146 5.892 5.548 -4.111 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.811 3.835 -5.825 1.00 0.00 C ATOM 179 CE1 PHE A 146 5.022 4.795 -3.315 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.940 3.082 -5.029 1.00 0.00 C ATOM 181 CZ PHE A 146 4.546 3.561 -3.775 1.00 0.00 C ATOM 0 H PHE A 146 8.169 6.798 -3.976 1.00 0.00 H new ATOM 0 HA PHE A 146 8.985 4.673 -5.904 1.00 0.00 H new ATOM 0 HB2 PHE A 146 6.950 6.935 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.145 5.568 -7.267 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.259 6.500 -3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 146 6.116 3.464 -6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.718 5.165 -2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.572 2.130 -5.383 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.874 2.979 -3.161 1.00 0.00 H new ATOM 191 N LEU A 147 10.077 6.227 -7.642 1.00 0.00 N ATOM 192 CA LEU A 147 10.968 7.104 -8.454 1.00 0.00 C ATOM 193 C LEU A 147 10.117 8.195 -9.114 1.00 0.00 C ATOM 194 O LEU A 147 9.007 7.947 -9.542 1.00 0.00 O ATOM 195 CB LEU A 147 11.669 6.261 -9.535 1.00 0.00 C ATOM 196 CG LEU A 147 13.186 6.224 -9.290 1.00 0.00 C ATOM 197 CD1 LEU A 147 13.756 7.644 -9.331 1.00 0.00 C ATOM 198 CD2 LEU A 147 13.476 5.597 -7.922 1.00 0.00 C ATOM 0 H LEU A 147 9.901 5.304 -8.039 1.00 0.00 H new ATOM 0 HA LEU A 147 11.724 7.564 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 147 11.269 5.247 -9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 147 11.464 6.679 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 147 13.656 5.625 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 147 14.831 7.610 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 147 13.561 8.086 -10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 147 13.282 8.249 -8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 147 14.553 5.573 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 147 13.000 6.190 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 147 13.082 4.581 -7.897 1.00 0.00 H new ATOM 210 N LYS A 148 10.632 9.396 -9.189 1.00 0.00 N ATOM 211 CA LYS A 148 9.867 10.518 -9.812 1.00 0.00 C ATOM 212 C LYS A 148 8.552 10.742 -9.043 1.00 0.00 C ATOM 213 O LYS A 148 8.514 11.515 -8.103 1.00 0.00 O ATOM 214 CB LYS A 148 9.588 10.199 -11.288 1.00 0.00 C ATOM 215 CG LYS A 148 10.890 10.296 -12.083 1.00 0.00 C ATOM 216 CD LYS A 148 10.588 10.191 -13.579 1.00 0.00 C ATOM 217 CE LYS A 148 11.592 11.037 -14.362 1.00 0.00 C ATOM 218 NZ LYS A 148 11.049 11.323 -15.721 1.00 0.00 N ATOM 0 H LYS A 148 11.557 9.649 -8.842 1.00 0.00 H new ATOM 0 HA LYS A 148 10.457 11.433 -9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 148 9.165 9.199 -11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.851 10.895 -11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 148 11.389 11.241 -11.868 1.00 0.00 H new ATOM 0 HG3 LYS A 148 11.571 9.500 -11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 148 10.644 9.151 -13.900 1.00 0.00 H new ATOM 0 HD3 LYS A 148 9.573 10.533 -13.781 1.00 0.00 H new ATOM 0 HE2 LYS A 148 11.788 11.970 -13.833 1.00 0.00 H new ATOM 0 HE3 LYS A 148 12.543 10.510 -14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 11.732 11.899 -16.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 10.884 10.428 -16.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 10.152 11.842 -15.634 1.00 0.00 H new ATOM 232 N LEU A 149 7.481 10.081 -9.422 1.00 0.00 N ATOM 233 CA LEU A 149 6.189 10.272 -8.697 1.00 0.00 C ATOM 234 C LEU A 149 5.173 9.219 -9.150 1.00 0.00 C ATOM 235 O LEU A 149 5.143 8.826 -10.302 1.00 0.00 O ATOM 236 CB LEU A 149 5.640 11.668 -8.993 1.00 0.00 C ATOM 237 CG LEU A 149 4.848 12.172 -7.786 1.00 0.00 C ATOM 238 CD1 LEU A 149 5.761 13.015 -6.894 1.00 0.00 C ATOM 239 CD2 LEU A 149 3.674 13.029 -8.267 1.00 0.00 C ATOM 0 H LEU A 149 7.449 9.421 -10.199 1.00 0.00 H new ATOM 0 HA LEU A 149 6.362 10.165 -7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.459 12.352 -9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 149 5.000 11.639 -9.875 1.00 0.00 H new ATOM 0 HG LEU A 149 4.469 11.321 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 149 5.197 13.375 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 149 6.598 12.406 -6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 149 6.139 13.865 -7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 149 3.109 13.388 -7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 149 4.053 13.880 -8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 149 3.023 12.430 -8.904 1.00 0.00 H new ATOM 251 N ALA A 150 4.337 8.770 -8.248 1.00 0.00 N ATOM 252 CA ALA A 150 3.309 7.748 -8.604 1.00 0.00 C ATOM 253 C ALA A 150 1.917 8.309 -8.270 1.00 0.00 C ATOM 254 O ALA A 150 1.732 9.510 -8.230 1.00 0.00 O ATOM 255 CB ALA A 150 3.575 6.464 -7.810 1.00 0.00 C ATOM 0 H ALA A 150 4.324 9.071 -7.273 1.00 0.00 H new ATOM 0 HA ALA A 150 3.356 7.516 -9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.826 5.715 -8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.567 6.084 -8.054 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.522 6.679 -6.743 1.00 0.00 H new ATOM 261 N PHE A 151 0.939 7.462 -8.037 1.00 0.00 N ATOM 262 CA PHE A 151 -0.433 7.966 -7.715 1.00 0.00 C ATOM 263 C PHE A 151 -1.206 6.909 -6.912 1.00 0.00 C ATOM 264 O PHE A 151 -1.234 5.748 -7.270 1.00 0.00 O ATOM 265 CB PHE A 151 -1.187 8.243 -9.015 1.00 0.00 C ATOM 266 CG PHE A 151 -0.906 9.643 -9.504 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.694 10.711 -9.060 1.00 0.00 C ATOM 268 CD2 PHE A 151 0.138 9.872 -10.409 1.00 0.00 C ATOM 269 CE1 PHE A 151 -1.438 12.008 -9.520 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.393 11.170 -10.869 1.00 0.00 C ATOM 271 CZ PHE A 151 -0.395 12.237 -10.425 1.00 0.00 C ATOM 0 H PHE A 151 1.033 6.447 -8.056 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.346 8.880 -7.127 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -0.890 7.520 -9.775 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.258 8.116 -8.855 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.499 10.534 -8.363 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.746 9.048 -10.752 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -2.045 12.832 -9.177 1.00 0.00 H new ATOM 0 HE2 PHE A 151 1.198 11.347 -11.567 1.00 0.00 H new ATOM 0 HZ PHE A 151 -0.199 13.238 -10.781 1.00 0.00 H new ATOM 281 N CYS A 152 -1.832 7.308 -5.829 1.00 0.00 N ATOM 282 CA CYS A 152 -2.608 6.334 -4.996 1.00 0.00 C ATOM 283 C CYS A 152 -4.022 6.166 -5.558 1.00 0.00 C ATOM 284 O CYS A 152 -4.817 7.086 -5.545 1.00 0.00 O ATOM 285 CB CYS A 152 -2.707 6.864 -3.568 1.00 0.00 C ATOM 286 SG CYS A 152 -3.502 5.629 -2.509 1.00 0.00 S ATOM 0 H CYS A 152 -1.839 8.269 -5.486 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.097 5.371 -5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -1.713 7.097 -3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.279 7.792 -3.553 1.00 0.00 H new ATOM 291 N ASP A 153 -4.341 4.990 -6.031 1.00 0.00 N ATOM 292 CA ASP A 153 -5.711 4.746 -6.589 1.00 0.00 C ATOM 293 C ASP A 153 -6.787 4.947 -5.501 1.00 0.00 C ATOM 294 O ASP A 153 -7.947 5.146 -5.804 1.00 0.00 O ATOM 295 CB ASP A 153 -5.792 3.313 -7.122 1.00 0.00 C ATOM 296 CG ASP A 153 -5.209 3.262 -8.535 1.00 0.00 C ATOM 297 OD1 ASP A 153 -5.798 3.861 -9.419 1.00 0.00 O ATOM 298 OD2 ASP A 153 -4.185 2.623 -8.711 1.00 0.00 O ATOM 0 H ASP A 153 -3.714 4.186 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 153 -5.892 5.457 -7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.243 2.638 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.828 2.975 -7.132 1.00 0.00 H new ATOM 303 N ILE A 154 -6.414 4.883 -4.245 1.00 0.00 N ATOM 304 CA ILE A 154 -7.413 5.052 -3.136 1.00 0.00 C ATOM 305 C ILE A 154 -7.648 6.533 -2.844 1.00 0.00 C ATOM 306 O ILE A 154 -8.718 6.921 -2.410 1.00 0.00 O ATOM 307 CB ILE A 154 -6.857 4.396 -1.863 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.534 2.901 -2.166 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.846 4.570 -0.679 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.641 1.947 -1.677 1.00 0.00 C ATOM 0 H ILE A 154 -5.456 4.720 -3.936 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.352 4.589 -3.439 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.932 4.886 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.397 2.773 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.591 2.633 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.433 4.098 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.002 5.632 -0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.798 4.102 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.366 0.919 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.762 2.052 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.580 2.194 -2.173 1.00 0.00 H new ATOM 322 N CYS A 155 -6.647 7.347 -3.016 1.00 0.00 N ATOM 323 CA CYS A 155 -6.794 8.785 -2.679 1.00 0.00 C ATOM 324 C CYS A 155 -6.973 9.650 -3.937 1.00 0.00 C ATOM 325 O CYS A 155 -7.190 10.843 -3.845 1.00 0.00 O ATOM 326 CB CYS A 155 -5.561 9.189 -1.898 1.00 0.00 C ATOM 327 SG CYS A 155 -5.491 8.200 -0.374 1.00 0.00 S ATOM 0 H CYS A 155 -5.732 7.077 -3.376 1.00 0.00 H new ATOM 0 HA CYS A 155 -7.692 8.942 -2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -4.664 9.027 -2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -5.596 10.252 -1.658 1.00 0.00 H new ATOM 332 N GLN A 156 -6.917 9.058 -5.105 1.00 0.00 N ATOM 333 CA GLN A 156 -7.118 9.831 -6.369 1.00 0.00 C ATOM 334 C GLN A 156 -6.106 10.977 -6.503 1.00 0.00 C ATOM 335 O GLN A 156 -6.285 11.854 -7.331 1.00 0.00 O ATOM 336 CB GLN A 156 -8.534 10.410 -6.389 1.00 0.00 C ATOM 337 CG GLN A 156 -9.552 9.270 -6.483 1.00 0.00 C ATOM 338 CD GLN A 156 -9.811 8.936 -7.954 1.00 0.00 C ATOM 339 OE1 GLN A 156 -10.356 9.740 -8.684 1.00 0.00 O ATOM 340 NE2 GLN A 156 -9.438 7.777 -8.422 1.00 0.00 N ATOM 0 H GLN A 156 -6.739 8.062 -5.237 1.00 0.00 H new ATOM 0 HA GLN A 156 -6.970 9.148 -7.206 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.711 10.996 -5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.650 11.086 -7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.178 8.390 -5.960 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.483 9.559 -5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -8.981 7.103 -7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -9.604 7.545 -9.401 1.00 0.00 H new ATOM 349 N LYS A 157 -5.045 10.987 -5.729 1.00 0.00 N ATOM 350 CA LYS A 157 -4.048 12.078 -5.860 1.00 0.00 C ATOM 351 C LYS A 157 -2.675 11.447 -6.040 1.00 0.00 C ATOM 352 O LYS A 157 -2.546 10.243 -6.131 1.00 0.00 O ATOM 353 CB LYS A 157 -4.058 12.943 -4.595 1.00 0.00 C ATOM 354 CG LYS A 157 -4.907 14.193 -4.835 1.00 0.00 C ATOM 355 CD LYS A 157 -6.386 13.855 -4.632 1.00 0.00 C ATOM 356 CE LYS A 157 -7.215 15.143 -4.599 1.00 0.00 C ATOM 357 NZ LYS A 157 -8.407 14.986 -5.480 1.00 0.00 N ATOM 0 H LYS A 157 -4.834 10.287 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.289 12.708 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -4.459 12.374 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -3.040 13.228 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.607 14.986 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.744 14.567 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -6.734 13.209 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.518 13.303 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -7.529 15.360 -3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -6.611 15.986 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -8.971 15.859 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -8.096 14.798 -6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -8.986 14.191 -5.142 1.00 0.00 H new ATOM 371 N PHE A 158 -1.652 12.248 -6.081 1.00 0.00 N ATOM 372 CA PHE A 158 -0.268 11.719 -6.237 1.00 0.00 C ATOM 373 C PHE A 158 0.014 10.681 -5.130 1.00 0.00 C ATOM 374 O PHE A 158 -0.670 10.646 -4.124 1.00 0.00 O ATOM 375 CB PHE A 158 0.703 12.905 -6.073 1.00 0.00 C ATOM 376 CG PHE A 158 0.705 13.317 -4.615 1.00 0.00 C ATOM 377 CD1 PHE A 158 -0.291 14.161 -4.120 1.00 0.00 C ATOM 378 CD2 PHE A 158 1.662 12.780 -3.751 1.00 0.00 C ATOM 379 CE1 PHE A 158 -0.321 14.481 -2.761 1.00 0.00 C ATOM 380 CE2 PHE A 158 1.629 13.090 -2.391 1.00 0.00 C ATOM 381 CZ PHE A 158 0.638 13.942 -1.893 1.00 0.00 C ATOM 0 H PHE A 158 -1.715 13.264 -6.012 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.146 11.245 -7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.707 12.621 -6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.394 13.739 -6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -1.037 14.566 -4.787 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.429 12.124 -4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -1.083 15.144 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 158 2.368 12.672 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.612 14.184 -0.841 1.00 0.00 H new ATOM 391 N LEU A 159 1.046 9.897 -5.278 1.00 0.00 N ATOM 392 CA LEU A 159 1.404 8.935 -4.198 1.00 0.00 C ATOM 393 C LEU A 159 2.805 9.282 -3.703 1.00 0.00 C ATOM 394 O LEU A 159 3.666 9.676 -4.470 1.00 0.00 O ATOM 395 CB LEU A 159 1.359 7.489 -4.702 1.00 0.00 C ATOM 396 CG LEU A 159 1.797 6.524 -3.582 1.00 0.00 C ATOM 397 CD1 LEU A 159 0.910 6.689 -2.336 1.00 0.00 C ATOM 398 CD2 LEU A 159 1.689 5.094 -4.091 1.00 0.00 C ATOM 0 H LEU A 159 1.655 9.881 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 159 0.682 9.014 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.350 7.242 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.013 7.376 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 159 2.826 6.752 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 159 1.239 5.997 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 159 0.988 7.712 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.127 6.475 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 159 1.997 4.404 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 159 0.657 4.885 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.336 4.967 -4.959 1.00 0.00 H new ATOM 410 N LEU A 160 3.027 9.156 -2.426 1.00 0.00 N ATOM 411 CA LEU A 160 4.349 9.492 -1.852 1.00 0.00 C ATOM 412 C LEU A 160 4.951 8.247 -1.205 1.00 0.00 C ATOM 413 O LEU A 160 4.428 7.157 -1.343 1.00 0.00 O ATOM 414 CB LEU A 160 4.150 10.581 -0.799 1.00 0.00 C ATOM 415 CG LEU A 160 3.084 10.144 0.225 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.633 10.305 1.646 1.00 0.00 C ATOM 417 CD2 LEU A 160 1.830 11.013 0.068 1.00 0.00 C ATOM 0 H LEU A 160 2.336 8.830 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 160 5.025 9.846 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.093 10.781 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 160 3.844 11.510 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 160 2.830 9.099 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 160 2.876 9.995 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.522 9.686 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.893 11.349 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.078 10.702 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 160 2.088 12.058 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.431 10.898 -0.940 1.00 0.00 H new ATOM 429 N ASN A 161 6.047 8.396 -0.501 1.00 0.00 N ATOM 430 CA ASN A 161 6.688 7.215 0.155 1.00 0.00 C ATOM 431 C ASN A 161 5.680 6.546 1.094 1.00 0.00 C ATOM 432 O ASN A 161 5.424 7.020 2.183 1.00 0.00 O ATOM 433 CB ASN A 161 7.917 7.665 0.952 1.00 0.00 C ATOM 434 CG ASN A 161 7.530 8.784 1.923 1.00 0.00 C ATOM 435 OD1 ASN A 161 7.181 8.526 3.058 1.00 0.00 O ATOM 436 ND2 ASN A 161 7.583 10.025 1.524 1.00 0.00 N ATOM 0 H ASN A 161 6.525 9.285 -0.353 1.00 0.00 H new ATOM 0 HA ASN A 161 7.001 6.504 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.332 6.821 1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.694 8.015 0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 161 7.332 10.778 2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 161 7.876 10.242 0.571 1.00 0.00 H new ATOM 443 N GLY A 162 5.102 5.452 0.670 1.00 0.00 N ATOM 444 CA GLY A 162 4.105 4.755 1.528 1.00 0.00 C ATOM 445 C GLY A 162 4.392 3.261 1.514 1.00 0.00 C ATOM 446 O GLY A 162 5.458 2.826 1.899 1.00 0.00 O ATOM 0 H GLY A 162 5.279 5.013 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.154 5.137 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.096 4.947 1.164 1.00 0.00 H new ATOM 450 N PHE A 163 3.448 2.475 1.073 1.00 0.00 N ATOM 451 CA PHE A 163 3.660 1.003 1.031 1.00 0.00 C ATOM 452 C PHE A 163 3.086 0.440 -0.273 1.00 0.00 C ATOM 453 O PHE A 163 1.889 0.482 -0.500 1.00 0.00 O ATOM 454 CB PHE A 163 2.937 0.349 2.211 1.00 0.00 C ATOM 455 CG PHE A 163 3.605 0.738 3.507 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.401 2.013 4.047 1.00 0.00 C ATOM 457 CD2 PHE A 163 4.426 -0.180 4.173 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.018 2.371 5.251 1.00 0.00 C ATOM 459 CE2 PHE A 163 5.041 0.176 5.377 1.00 0.00 C ATOM 460 CZ PHE A 163 4.838 1.452 5.915 1.00 0.00 C ATOM 0 H PHE A 163 2.537 2.791 0.739 1.00 0.00 H new ATOM 0 HA PHE A 163 4.728 0.793 1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.892 0.658 2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.947 -0.735 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 163 2.767 2.721 3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 163 4.584 -1.164 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 163 3.861 3.355 5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 163 5.672 -0.533 5.892 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.315 1.728 6.844 1.00 0.00 H new ATOM 470 N ARG A 164 3.927 -0.087 -1.127 1.00 0.00 N ATOM 471 CA ARG A 164 3.428 -0.661 -2.415 1.00 0.00 C ATOM 472 C ARG A 164 3.764 -2.153 -2.493 1.00 0.00 C ATOM 473 O ARG A 164 4.891 -2.560 -2.286 1.00 0.00 O ATOM 474 CB ARG A 164 4.085 0.033 -3.612 1.00 0.00 C ATOM 475 CG ARG A 164 5.572 0.307 -3.343 1.00 0.00 C ATOM 476 CD ARG A 164 6.366 0.114 -4.639 1.00 0.00 C ATOM 477 NE ARG A 164 7.804 -0.092 -4.319 1.00 0.00 N ATOM 478 CZ ARG A 164 8.714 0.647 -4.897 1.00 0.00 C ATOM 479 NH1 ARG A 164 8.973 1.841 -4.439 1.00 0.00 N ATOM 480 NH2 ARG A 164 9.364 0.190 -5.933 1.00 0.00 N ATOM 0 H ARG A 164 4.936 -0.145 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 164 2.349 -0.510 -2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 164 3.982 -0.591 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.571 0.971 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.705 1.323 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 164 5.944 -0.367 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 164 5.979 -0.744 -5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 164 6.248 0.986 -5.283 1.00 0.00 H new ATOM 0 HE ARG A 164 8.080 -0.810 -3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 164 8.465 2.198 -3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 164 9.683 2.417 -4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 164 9.162 -0.743 -6.291 1.00 0.00 H new ATOM 0 HH22 ARG A 164 10.074 0.766 -6.384 1.00 0.00 H new ATOM 494 N CYS A 165 2.787 -2.964 -2.819 1.00 0.00 N ATOM 495 CA CYS A 165 3.031 -4.433 -2.949 1.00 0.00 C ATOM 496 C CYS A 165 3.945 -4.653 -4.150 1.00 0.00 C ATOM 497 O CYS A 165 3.613 -4.283 -5.263 1.00 0.00 O ATOM 498 CB CYS A 165 1.694 -5.145 -3.184 1.00 0.00 C ATOM 499 SG CYS A 165 1.924 -6.943 -3.314 1.00 0.00 S ATOM 0 H CYS A 165 1.828 -2.670 -3.001 1.00 0.00 H new ATOM 0 HA CYS A 165 3.493 -4.829 -2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.010 -4.921 -2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.233 -4.767 -4.097 1.00 0.00 H new ATOM 504 N GLN A 166 5.093 -5.246 -3.927 1.00 0.00 N ATOM 505 CA GLN A 166 6.054 -5.487 -5.050 1.00 0.00 C ATOM 506 C GLN A 166 5.768 -6.835 -5.737 1.00 0.00 C ATOM 507 O GLN A 166 6.609 -7.369 -6.435 1.00 0.00 O ATOM 508 CB GLN A 166 7.487 -5.489 -4.495 1.00 0.00 C ATOM 509 CG GLN A 166 8.188 -4.179 -4.870 1.00 0.00 C ATOM 510 CD GLN A 166 9.669 -4.447 -5.154 1.00 0.00 C ATOM 511 OE1 GLN A 166 10.046 -5.549 -5.498 1.00 0.00 O ATOM 512 NE2 GLN A 166 10.531 -3.475 -5.024 1.00 0.00 N ATOM 0 H GLN A 166 5.407 -5.574 -3.014 1.00 0.00 H new ATOM 0 HA GLN A 166 5.937 -4.693 -5.788 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.467 -5.605 -3.411 1.00 0.00 H new ATOM 0 HB3 GLN A 166 8.042 -6.337 -4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 166 7.713 -3.740 -5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 166 8.088 -3.457 -4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 166 10.216 -2.549 -4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 166 11.520 -3.642 -5.211 1.00 0.00 H new ATOM 521 N THR A 167 4.591 -7.376 -5.560 1.00 0.00 N ATOM 522 CA THR A 167 4.241 -8.671 -6.212 1.00 0.00 C ATOM 523 C THR A 167 3.112 -8.426 -7.216 1.00 0.00 C ATOM 524 O THR A 167 3.064 -9.032 -8.270 1.00 0.00 O ATOM 525 CB THR A 167 3.786 -9.694 -5.156 1.00 0.00 C ATOM 526 OG1 THR A 167 3.806 -9.105 -3.862 1.00 0.00 O ATOM 527 CG2 THR A 167 4.715 -10.910 -5.173 1.00 0.00 C ATOM 0 H THR A 167 3.851 -6.972 -4.986 1.00 0.00 H new ATOM 0 HA THR A 167 5.117 -9.070 -6.724 1.00 0.00 H new ATOM 0 HB THR A 167 2.770 -10.009 -5.392 1.00 0.00 H new ATOM 0 HG1 THR A 167 2.930 -8.710 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 167 4.386 -11.629 -4.423 1.00 0.00 H new ATOM 0 HG22 THR A 167 4.688 -11.375 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.734 -10.593 -4.950 1.00 0.00 H new ATOM 535 N CYS A 168 2.203 -7.537 -6.891 1.00 0.00 N ATOM 536 CA CYS A 168 1.076 -7.243 -7.818 1.00 0.00 C ATOM 537 C CYS A 168 1.227 -5.827 -8.384 1.00 0.00 C ATOM 538 O CYS A 168 0.741 -5.530 -9.460 1.00 0.00 O ATOM 539 CB CYS A 168 -0.260 -7.379 -7.071 1.00 0.00 C ATOM 540 SG CYS A 168 -0.345 -6.207 -5.684 1.00 0.00 S ATOM 0 H CYS A 168 2.197 -7.004 -6.021 1.00 0.00 H new ATOM 0 HA CYS A 168 1.091 -7.955 -8.643 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -1.086 -7.197 -7.758 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.372 -8.398 -6.700 1.00 0.00 H new ATOM 545 N GLY A 169 1.891 -4.950 -7.667 1.00 0.00 N ATOM 546 CA GLY A 169 2.061 -3.559 -8.167 1.00 0.00 C ATOM 547 C GLY A 169 1.055 -2.659 -7.459 1.00 0.00 C ATOM 548 O GLY A 169 0.525 -1.729 -8.039 1.00 0.00 O ATOM 0 H GLY A 169 2.319 -5.142 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.077 -3.211 -7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 169 1.906 -3.524 -9.245 1.00 0.00 H new ATOM 552 N TYR A 170 0.798 -2.925 -6.203 1.00 0.00 N ATOM 553 CA TYR A 170 -0.166 -2.075 -5.445 1.00 0.00 C ATOM 554 C TYR A 170 0.617 -0.915 -4.844 1.00 0.00 C ATOM 555 O TYR A 170 1.808 -1.023 -4.635 1.00 0.00 O ATOM 556 CB TYR A 170 -0.841 -2.894 -4.333 1.00 0.00 C ATOM 557 CG TYR A 170 -2.336 -2.933 -4.555 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.871 -3.708 -5.593 1.00 0.00 C ATOM 559 CD2 TYR A 170 -3.187 -2.200 -3.721 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.256 -3.748 -5.796 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.572 -2.241 -3.923 1.00 0.00 C ATOM 562 CZ TYR A 170 -5.106 -3.014 -4.960 1.00 0.00 C ATOM 563 OH TYR A 170 -6.471 -3.055 -5.158 1.00 0.00 O ATOM 0 H TYR A 170 1.213 -3.691 -5.673 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.949 -1.705 -6.107 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.440 -3.908 -4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.621 -2.453 -3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.215 -4.275 -6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.776 -1.602 -2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.668 -4.344 -6.597 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -5.228 -1.676 -3.278 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.915 -2.491 -4.491 1.00 0.00 H new ATOM 573 N LYS A 171 -0.022 0.194 -4.592 1.00 0.00 N ATOM 574 CA LYS A 171 0.717 1.361 -4.032 1.00 0.00 C ATOM 575 C LYS A 171 -0.267 2.312 -3.350 1.00 0.00 C ATOM 576 O LYS A 171 -1.205 2.776 -3.975 1.00 0.00 O ATOM 577 CB LYS A 171 1.435 2.064 -5.194 1.00 0.00 C ATOM 578 CG LYS A 171 0.417 2.648 -6.183 1.00 0.00 C ATOM 579 CD LYS A 171 1.124 3.010 -7.490 1.00 0.00 C ATOM 580 CE LYS A 171 1.538 1.731 -8.219 1.00 0.00 C ATOM 581 NZ LYS A 171 1.834 2.044 -9.645 1.00 0.00 N ATOM 0 H LYS A 171 -1.019 0.343 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 171 1.446 1.039 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 171 2.072 2.859 -4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.085 1.356 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.376 1.925 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.055 3.533 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 171 0.462 3.603 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 171 2.001 3.623 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 171 2.416 1.296 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 171 0.741 0.990 -8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 2.115 1.174 -10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 0.985 2.440 -10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 2.608 2.737 -9.695 1.00 0.00 H new ATOM 595 N PHE A 172 -0.087 2.605 -2.075 1.00 0.00 N ATOM 596 CA PHE A 172 -1.059 3.523 -1.408 1.00 0.00 C ATOM 597 C PHE A 172 -0.571 3.985 -0.009 1.00 0.00 C ATOM 598 O PHE A 172 0.286 3.376 0.599 1.00 0.00 O ATOM 599 CB PHE A 172 -2.411 2.802 -1.344 1.00 0.00 C ATOM 600 CG PHE A 172 -2.313 1.518 -0.549 1.00 0.00 C ATOM 601 CD1 PHE A 172 -2.105 1.555 0.832 1.00 0.00 C ATOM 602 CD2 PHE A 172 -2.469 0.288 -1.198 1.00 0.00 C ATOM 603 CE1 PHE A 172 -2.046 0.367 1.566 1.00 0.00 C ATOM 604 CE2 PHE A 172 -2.415 -0.902 -0.464 1.00 0.00 C ATOM 605 CZ PHE A 172 -2.203 -0.863 0.918 1.00 0.00 C ATOM 0 H PHE A 172 0.671 2.256 -1.488 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.156 4.441 -1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.154 3.458 -0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.756 2.581 -2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -1.989 2.504 1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -2.631 0.257 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.879 0.398 2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -2.537 -1.851 -0.965 1.00 0.00 H new ATOM 0 HZ PHE A 172 -2.161 -1.782 1.484 1.00 0.00 H new ATOM 615 N HIS A 173 -1.101 5.102 0.467 1.00 0.00 N ATOM 616 CA HIS A 173 -0.677 5.695 1.798 1.00 0.00 C ATOM 617 C HIS A 173 -1.376 5.006 3.020 1.00 0.00 C ATOM 618 O HIS A 173 -1.656 3.828 3.001 1.00 0.00 O ATOM 619 CB HIS A 173 -1.007 7.203 1.850 1.00 0.00 C ATOM 620 CG HIS A 173 -1.090 7.838 0.519 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.270 7.856 -0.227 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.193 8.593 -0.141 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.018 8.642 -1.283 1.00 0.00 C ATOM 624 NE2 HIS A 173 -0.766 9.109 -1.268 1.00 0.00 N ATOM 0 H HIS A 173 -1.821 5.637 -0.018 1.00 0.00 H new ATOM 0 HA HIS A 173 0.398 5.528 1.871 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -1.956 7.341 2.368 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.245 7.713 2.439 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.826 8.765 0.173 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -2.740 8.870 -2.053 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.329 9.723 -1.955 1.00 0.00 H new ATOM 632 N GLU A 174 -1.629 5.751 4.106 1.00 0.00 N ATOM 633 CA GLU A 174 -2.267 5.163 5.332 1.00 0.00 C ATOM 634 C GLU A 174 -3.803 5.131 5.215 1.00 0.00 C ATOM 635 O GLU A 174 -4.458 4.371 5.904 1.00 0.00 O ATOM 636 CB GLU A 174 -1.871 6.006 6.551 1.00 0.00 C ATOM 637 CG GLU A 174 -1.519 5.088 7.723 1.00 0.00 C ATOM 638 CD GLU A 174 -0.121 4.505 7.511 1.00 0.00 C ATOM 639 OE1 GLU A 174 0.838 5.185 7.837 1.00 0.00 O ATOM 640 OE2 GLU A 174 -0.033 3.390 7.025 1.00 0.00 O ATOM 0 H GLU A 174 -1.413 6.745 4.178 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.917 4.137 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -1.019 6.640 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -2.691 6.668 6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -1.554 5.645 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -2.252 4.285 7.803 1.00 0.00 H new ATOM 647 N HIS A 175 -4.385 5.911 4.328 1.00 0.00 N ATOM 648 CA HIS A 175 -5.882 5.881 4.145 1.00 0.00 C ATOM 649 C HIS A 175 -6.249 4.727 3.216 1.00 0.00 C ATOM 650 O HIS A 175 -7.261 4.770 2.532 1.00 0.00 O ATOM 651 CB HIS A 175 -6.322 7.150 3.412 1.00 0.00 C ATOM 652 CG HIS A 175 -6.330 8.327 4.350 1.00 0.00 C ATOM 653 ND1 HIS A 175 -6.708 9.612 3.930 1.00 0.00 N ATOM 654 CD2 HIS A 175 -6.012 8.444 5.680 1.00 0.00 C ATOM 655 CE1 HIS A 175 -6.600 10.416 5.003 1.00 0.00 C ATOM 656 NE2 HIS A 175 -6.181 9.745 6.083 1.00 0.00 N ATOM 0 H HIS A 175 -3.891 6.567 3.723 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.352 5.787 5.124 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.648 7.347 2.578 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.317 7.007 2.991 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -5.679 7.635 6.313 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -6.824 11.473 4.994 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -6.020 10.124 7.016 1.00 0.00 H new ATOM 664 N CYS A 176 -5.380 3.767 3.078 1.00 0.00 N ATOM 665 CA CYS A 176 -5.601 2.718 2.088 1.00 0.00 C ATOM 666 C CYS A 176 -4.937 1.408 2.536 1.00 0.00 C ATOM 667 O CYS A 176 -4.756 0.498 1.749 1.00 0.00 O ATOM 668 CB CYS A 176 -4.988 3.242 0.766 1.00 0.00 C ATOM 669 SG CYS A 176 -4.021 4.806 1.019 1.00 0.00 S ATOM 0 H CYS A 176 -4.522 3.677 3.622 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.661 2.497 1.962 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.337 2.478 0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.784 3.421 0.043 1.00 0.00 H new ATOM 674 N SER A 177 -4.599 1.296 3.802 1.00 0.00 N ATOM 675 CA SER A 177 -3.973 0.045 4.312 1.00 0.00 C ATOM 676 C SER A 177 -5.020 -0.729 5.114 1.00 0.00 C ATOM 677 O SER A 177 -5.690 -0.169 5.954 1.00 0.00 O ATOM 678 CB SER A 177 -2.794 0.398 5.220 1.00 0.00 C ATOM 679 OG SER A 177 -3.088 1.597 5.924 1.00 0.00 O ATOM 0 H SER A 177 -4.733 2.025 4.502 1.00 0.00 H new ATOM 0 HA SER A 177 -3.614 -0.561 3.480 1.00 0.00 H new ATOM 0 HB2 SER A 177 -2.605 -0.413 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 177 -1.888 0.523 4.627 1.00 0.00 H new ATOM 0 HG SER A 177 -2.335 1.826 6.508 1.00 0.00 H new ATOM 685 N THR A 178 -5.166 -2.008 4.841 1.00 0.00 N ATOM 686 CA THR A 178 -6.173 -2.878 5.553 1.00 0.00 C ATOM 687 C THR A 178 -7.555 -2.773 4.866 1.00 0.00 C ATOM 688 O THR A 178 -8.279 -3.747 4.781 1.00 0.00 O ATOM 689 CB THR A 178 -6.236 -2.551 7.081 1.00 0.00 C ATOM 690 OG1 THR A 178 -6.364 -3.766 7.804 1.00 0.00 O ATOM 691 CG2 THR A 178 -7.417 -1.629 7.449 1.00 0.00 C ATOM 0 H THR A 178 -4.616 -2.500 4.137 1.00 0.00 H new ATOM 0 HA THR A 178 -5.849 -3.916 5.479 1.00 0.00 H new ATOM 0 HB THR A 178 -5.317 -2.024 7.339 1.00 0.00 H new ATOM 0 HG1 THR A 178 -6.403 -3.573 8.764 1.00 0.00 H new ATOM 0 HG21 THR A 178 -7.408 -1.438 8.522 1.00 0.00 H new ATOM 0 HG22 THR A 178 -7.323 -0.686 6.911 1.00 0.00 H new ATOM 0 HG23 THR A 178 -8.355 -2.112 7.174 1.00 0.00 H new ATOM 699 N LYS A 179 -7.923 -1.609 4.378 1.00 0.00 N ATOM 700 CA LYS A 179 -9.247 -1.460 3.703 1.00 0.00 C ATOM 701 C LYS A 179 -9.241 -2.255 2.393 1.00 0.00 C ATOM 702 O LYS A 179 -10.266 -2.735 1.952 1.00 0.00 O ATOM 703 CB LYS A 179 -9.507 0.027 3.411 1.00 0.00 C ATOM 704 CG LYS A 179 -10.642 0.542 4.307 1.00 0.00 C ATOM 705 CD LYS A 179 -11.952 0.571 3.515 1.00 0.00 C ATOM 706 CE LYS A 179 -12.934 1.528 4.190 1.00 0.00 C ATOM 707 NZ LYS A 179 -12.633 2.927 3.769 1.00 0.00 N ATOM 0 H LYS A 179 -7.361 -0.759 4.420 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.036 -1.841 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -8.600 0.606 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -9.771 0.160 2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -10.748 -0.101 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -10.405 1.541 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -11.763 0.890 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -12.380 -0.430 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -13.957 1.267 3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -12.859 1.439 5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -12.987 3.590 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -11.605 3.045 3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -13.097 3.123 2.859 1.00 0.00 H new ATOM 721 N VAL A 180 -8.091 -2.401 1.775 1.00 0.00 N ATOM 722 CA VAL A 180 -7.995 -3.169 0.487 1.00 0.00 C ATOM 723 C VAL A 180 -8.682 -4.549 0.649 1.00 0.00 C ATOM 724 O VAL A 180 -8.144 -5.409 1.315 1.00 0.00 O ATOM 725 CB VAL A 180 -6.515 -3.375 0.144 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.391 -4.016 -1.239 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.799 -2.020 0.140 1.00 0.00 C ATOM 0 H VAL A 180 -7.207 -2.018 2.110 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.490 -2.614 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.060 -4.028 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.338 -4.161 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.900 -4.980 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.847 -3.364 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.747 -2.165 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -6.257 -1.369 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -5.883 -1.561 1.125 1.00 0.00 H new ATOM 737 N PRO A 181 -9.864 -4.723 0.068 1.00 0.00 N ATOM 738 CA PRO A 181 -10.612 -5.989 0.196 1.00 0.00 C ATOM 739 C PRO A 181 -10.121 -7.050 -0.797 1.00 0.00 C ATOM 740 O PRO A 181 -9.552 -8.055 -0.415 1.00 0.00 O ATOM 741 CB PRO A 181 -12.054 -5.588 -0.131 1.00 0.00 C ATOM 742 CG PRO A 181 -11.973 -4.294 -0.975 1.00 0.00 C ATOM 743 CD PRO A 181 -10.568 -3.703 -0.754 1.00 0.00 C ATOM 0 HA PRO A 181 -10.493 -6.435 1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -12.560 -6.380 -0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -12.626 -5.420 0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -12.139 -4.510 -2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -12.743 -3.585 -0.670 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -10.055 -3.532 -1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -10.617 -2.743 -0.240 1.00 0.00 H new ATOM 751 N THR A 182 -10.369 -6.846 -2.068 1.00 0.00 N ATOM 752 CA THR A 182 -9.961 -7.849 -3.106 1.00 0.00 C ATOM 753 C THR A 182 -8.492 -8.257 -2.945 1.00 0.00 C ATOM 754 O THR A 182 -8.147 -9.412 -3.104 1.00 0.00 O ATOM 755 CB THR A 182 -10.163 -7.244 -4.497 1.00 0.00 C ATOM 756 OG1 THR A 182 -9.505 -5.987 -4.566 1.00 0.00 O ATOM 757 CG2 THR A 182 -11.659 -7.058 -4.760 1.00 0.00 C ATOM 0 H THR A 182 -10.841 -6.020 -2.436 1.00 0.00 H new ATOM 0 HA THR A 182 -10.579 -8.738 -2.981 1.00 0.00 H new ATOM 0 HB THR A 182 -9.745 -7.912 -5.250 1.00 0.00 H new ATOM 0 HG1 THR A 182 -9.632 -5.600 -5.457 1.00 0.00 H new ATOM 0 HG21 THR A 182 -11.803 -6.627 -5.751 1.00 0.00 H new ATOM 0 HG22 THR A 182 -12.160 -8.024 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 182 -12.080 -6.390 -4.009 1.00 0.00 H new ATOM 765 N MET A 183 -7.628 -7.321 -2.644 1.00 0.00 N ATOM 766 CA MET A 183 -6.176 -7.656 -2.489 1.00 0.00 C ATOM 767 C MET A 183 -5.659 -8.242 -3.809 1.00 0.00 C ATOM 768 O MET A 183 -6.380 -8.285 -4.789 1.00 0.00 O ATOM 769 CB MET A 183 -6.003 -8.678 -1.356 1.00 0.00 C ATOM 770 CG MET A 183 -4.846 -8.249 -0.450 1.00 0.00 C ATOM 771 SD MET A 183 -5.181 -8.762 1.253 1.00 0.00 S ATOM 772 CE MET A 183 -4.734 -10.505 1.056 1.00 0.00 C ATOM 0 H MET A 183 -7.863 -6.339 -2.499 1.00 0.00 H new ATOM 0 HA MET A 183 -5.610 -6.758 -2.242 1.00 0.00 H new ATOM 0 HB2 MET A 183 -6.923 -8.753 -0.777 1.00 0.00 H new ATOM 0 HB3 MET A 183 -5.806 -9.666 -1.771 1.00 0.00 H new ATOM 0 HG2 MET A 183 -3.914 -8.695 -0.798 1.00 0.00 H new ATOM 0 HG3 MET A 183 -4.718 -7.168 -0.496 1.00 0.00 H new ATOM 0 HE1 MET A 183 -4.437 -10.916 2.021 1.00 0.00 H new ATOM 0 HE2 MET A 183 -5.591 -11.060 0.674 1.00 0.00 H new ATOM 0 HE3 MET A 183 -3.904 -10.591 0.354 1.00 0.00 H new ATOM 782 N CYS A 184 -4.422 -8.678 -3.855 1.00 0.00 N ATOM 783 CA CYS A 184 -3.885 -9.235 -5.121 1.00 0.00 C ATOM 784 C CYS A 184 -3.906 -10.770 -5.094 1.00 0.00 C ATOM 785 O CYS A 184 -3.341 -11.404 -4.223 1.00 0.00 O ATOM 786 CB CYS A 184 -2.473 -8.667 -5.358 1.00 0.00 C ATOM 787 SG CYS A 184 -1.187 -9.474 -4.361 1.00 0.00 S ATOM 0 H CYS A 184 -3.770 -8.669 -3.071 1.00 0.00 H new ATOM 0 HA CYS A 184 -4.517 -8.937 -5.958 1.00 0.00 H new ATOM 0 HB2 CYS A 184 -2.221 -8.771 -6.413 1.00 0.00 H new ATOM 0 HB3 CYS A 184 -2.478 -7.600 -5.135 1.00 0.00 H new ATOM 792 N VAL A 185 -4.568 -11.361 -6.054 1.00 0.00 N ATOM 793 CA VAL A 185 -4.651 -12.848 -6.124 1.00 0.00 C ATOM 794 C VAL A 185 -4.623 -13.268 -7.594 1.00 0.00 C ATOM 795 O VAL A 185 -5.396 -14.100 -8.033 1.00 0.00 O ATOM 796 CB VAL A 185 -5.953 -13.324 -5.472 1.00 0.00 C ATOM 797 CG1 VAL A 185 -5.984 -14.858 -5.433 1.00 0.00 C ATOM 798 CG2 VAL A 185 -6.040 -12.775 -4.045 1.00 0.00 C ATOM 0 H VAL A 185 -5.060 -10.870 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 185 -3.810 -13.295 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 185 -6.800 -12.962 -6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -6.912 -15.191 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -5.926 -15.249 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -5.136 -15.224 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -6.966 -13.113 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -5.191 -13.135 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -6.025 -11.685 -4.073 1.00 0.00 H new ATOM 808 N ASP A 186 -3.735 -12.688 -8.353 1.00 0.00 N ATOM 809 CA ASP A 186 -3.634 -13.027 -9.807 1.00 0.00 C ATOM 810 C ASP A 186 -2.289 -12.526 -10.349 1.00 0.00 C ATOM 811 O ASP A 186 -1.330 -13.270 -10.421 1.00 0.00 O ATOM 812 CB ASP A 186 -4.798 -12.404 -10.618 1.00 0.00 C ATOM 813 CG ASP A 186 -5.408 -11.181 -9.906 1.00 0.00 C ATOM 814 OD1 ASP A 186 -4.672 -10.469 -9.242 1.00 0.00 O ATOM 815 OD2 ASP A 186 -6.604 -10.981 -10.043 1.00 0.00 O ATOM 0 H ASP A 186 -3.068 -11.988 -8.029 1.00 0.00 H new ATOM 0 HA ASP A 186 -3.700 -14.110 -9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 186 -4.436 -12.107 -11.602 1.00 0.00 H new ATOM 0 HB3 ASP A 186 -5.572 -13.155 -10.776 1.00 0.00 H new ATOM 820 N TRP A 187 -2.210 -11.273 -10.726 1.00 0.00 N ATOM 821 CA TRP A 187 -0.929 -10.724 -11.259 1.00 0.00 C ATOM 822 C TRP A 187 -0.342 -9.733 -10.250 1.00 0.00 C ATOM 823 O TRP A 187 0.669 -9.127 -10.564 1.00 0.00 O ATOM 824 CB TRP A 187 -1.193 -10.006 -12.582 1.00 0.00 C ATOM 825 CG TRP A 187 -1.337 -11.015 -13.675 1.00 0.00 C ATOM 826 CD1 TRP A 187 -2.206 -12.052 -13.664 1.00 0.00 C ATOM 827 CD2 TRP A 187 -0.608 -11.105 -14.934 1.00 0.00 C ATOM 828 NE1 TRP A 187 -2.058 -12.772 -14.836 1.00 0.00 N ATOM 829 CE2 TRP A 187 -1.085 -12.229 -15.651 1.00 0.00 C ATOM 830 CE3 TRP A 187 0.410 -10.330 -15.517 1.00 0.00 C ATOM 831 CZ2 TRP A 187 -0.570 -12.569 -16.902 1.00 0.00 C ATOM 832 CZ3 TRP A 187 0.931 -10.670 -16.776 1.00 0.00 C ATOM 833 CH2 TRP A 187 0.441 -11.787 -17.467 1.00 0.00 C ATOM 834 OXT TRP A 187 -0.914 -9.599 -9.181 1.00 0.00 O ATOM 0 H TRP A 187 -2.981 -10.607 -10.686 1.00 0.00 H new ATOM 0 HA TRP A 187 -0.224 -11.539 -11.423 1.00 0.00 H new ATOM 0 HB2 TRP A 187 -2.098 -9.403 -12.507 1.00 0.00 H new ATOM 0 HB3 TRP A 187 -0.374 -9.324 -12.808 1.00 0.00 H new ATOM 0 HD1 TRP A 187 -2.902 -12.280 -12.870 1.00 0.00 H new ATOM 0 HE1 TRP A 187 -2.602 -13.603 -15.070 1.00 0.00 H new ATOM 0 HE3 TRP A 187 0.794 -9.467 -14.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 187 -0.950 -13.431 -17.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 187 1.713 -10.068 -17.214 1.00 0.00 H new ATOM 0 HH2 TRP A 187 0.845 -12.043 -18.435 1.00 0.00 H new TER 845 TRP A 187 HETATM 846 ZN ZN A 1 -3.828 6.599 -0.460 1.00 0.00 ZN HETATM 847 ZN ZN A 2 -0.274 -7.450 -3.742 1.00 0.00 ZN