USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 339 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 Set 1.1: A 152 CYS SG : rot -144:sc= -1.14 USER MOD Set 1.2: A 155 CYS SG : rot 145:sc= 1.18 USER MOD Set 1.3: A 173 HIS : no HD1:sc= -4.28! K(o=-6.4!,f=-9.1) USER MOD Set 1.4: A 176 CYS SG : rot -166:sc= -2.19 USER MOD Set 2.1: A 145 THR OG1 : rot 180:sc= -1.79 USER MOD Set 2.2: A 161 ASN : amide:sc= -2.71 K(o=-4.5,f=-7.9!) USER MOD Set 3.1: A 139 HIS : no HD1:sc= -2.16 K(o=-1.5,f=-2.9) USER MOD Set 3.2: A 165 CYS SG : rot 159:sc= -0.166 USER MOD Set 3.3: A 167 THR OG1 : rot 67:sc= 0.723 USER MOD Set 3.4: A 168 CYS SG : rot -71:sc= 0.0745 USER MOD Single : A 140 ASN : amide:sc= 0.0171 K(o=0.017,f=-3.7!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.3!) USER MOD Single : A 157 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.227) USER MOD Single : A 166 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 156:sc= -0.235 (180deg=-1.22) USER MOD Single : A 175 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.52) USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0.0363 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N HIS A 139 -0.142 -10.306 -2.490 1.00 0.00 N ATOM 51 CA HIS A 139 0.099 -8.844 -2.298 1.00 0.00 C ATOM 52 C HIS A 139 1.406 -8.647 -1.528 1.00 0.00 C ATOM 53 O HIS A 139 2.034 -9.600 -1.106 1.00 0.00 O ATOM 54 CB HIS A 139 -1.069 -8.247 -1.508 1.00 0.00 C ATOM 55 CG HIS A 139 -1.435 -6.877 -2.032 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.163 -6.452 -3.354 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.078 -5.829 -1.427 1.00 0.00 C ATOM 58 CE1 HIS A 139 -1.655 -5.203 -3.457 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.216 -4.794 -2.311 1.00 0.00 N ATOM 0 HA HIS A 139 0.175 -8.345 -3.264 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.933 -8.908 -1.574 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.801 -8.177 -0.454 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.424 -5.821 -0.404 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.604 -4.604 -4.354 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -2.657 -3.892 -2.133 1.00 0.00 H new ATOM 67 N ASN A 140 1.820 -7.423 -1.353 1.00 0.00 N ATOM 68 CA ASN A 140 3.090 -7.151 -0.624 1.00 0.00 C ATOM 69 C ASN A 140 3.077 -5.712 -0.117 1.00 0.00 C ATOM 70 O ASN A 140 2.432 -4.851 -0.690 1.00 0.00 O ATOM 71 CB ASN A 140 4.277 -7.349 -1.573 1.00 0.00 C ATOM 72 CG ASN A 140 5.456 -7.942 -0.801 1.00 0.00 C ATOM 73 OD1 ASN A 140 5.826 -7.444 0.243 1.00 0.00 O ATOM 74 ND2 ASN A 140 6.068 -8.993 -1.277 1.00 0.00 N ATOM 0 H ASN A 140 1.329 -6.593 -1.686 1.00 0.00 H new ATOM 0 HA ASN A 140 3.184 -7.836 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.995 -8.011 -2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.563 -6.396 -2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 140 6.857 -9.396 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 140 5.757 -9.411 -2.154 1.00 0.00 H new ATOM 81 N PHE A 141 3.784 -5.442 0.946 1.00 0.00 N ATOM 82 CA PHE A 141 3.819 -4.057 1.492 1.00 0.00 C ATOM 83 C PHE A 141 5.255 -3.705 1.873 1.00 0.00 C ATOM 84 O PHE A 141 5.798 -4.218 2.832 1.00 0.00 O ATOM 85 CB PHE A 141 2.918 -3.966 2.728 1.00 0.00 C ATOM 86 CG PHE A 141 1.550 -4.519 2.400 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.809 -3.986 1.336 1.00 0.00 C ATOM 88 CD2 PHE A 141 1.025 -5.569 3.161 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.457 -4.503 1.036 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.240 -6.087 2.862 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.982 -5.554 1.799 1.00 0.00 C ATOM 0 H PHE A 141 4.341 -6.124 1.461 1.00 0.00 H new ATOM 0 HA PHE A 141 3.459 -3.357 0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.359 -4.525 3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.834 -2.929 3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.215 -3.176 0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.597 -5.980 3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.028 -4.092 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.645 -6.897 3.450 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.958 -5.954 1.568 1.00 0.00 H new ATOM 101 N ALA A 142 5.873 -2.829 1.121 1.00 0.00 N ATOM 102 CA ALA A 142 7.276 -2.433 1.424 1.00 0.00 C ATOM 103 C ALA A 142 7.317 -0.934 1.715 1.00 0.00 C ATOM 104 O ALA A 142 7.140 -0.117 0.831 1.00 0.00 O ATOM 105 CB ALA A 142 8.168 -2.746 0.221 1.00 0.00 C ATOM 0 H ALA A 142 5.462 -2.371 0.308 1.00 0.00 H new ATOM 0 HA ALA A 142 7.636 -2.987 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.195 -2.456 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.131 -3.815 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.815 -2.191 -0.648 1.00 0.00 H new ATOM 111 N ARG A 143 7.538 -0.572 2.951 1.00 0.00 N ATOM 112 CA ARG A 143 7.581 0.873 3.319 1.00 0.00 C ATOM 113 C ARG A 143 8.789 1.542 2.661 1.00 0.00 C ATOM 114 O ARG A 143 9.867 1.584 3.223 1.00 0.00 O ATOM 115 CB ARG A 143 7.696 1.008 4.838 1.00 0.00 C ATOM 116 CG ARG A 143 7.039 2.314 5.288 1.00 0.00 C ATOM 117 CD ARG A 143 6.992 2.362 6.815 1.00 0.00 C ATOM 118 NE ARG A 143 6.931 3.778 7.270 1.00 0.00 N ATOM 119 CZ ARG A 143 6.266 4.088 8.348 1.00 0.00 C ATOM 120 NH1 ARG A 143 4.967 3.967 8.370 1.00 0.00 N ATOM 121 NH2 ARG A 143 6.899 4.519 9.405 1.00 0.00 N ATOM 0 H ARG A 143 7.691 -1.218 3.725 1.00 0.00 H new ATOM 0 HA ARG A 143 6.668 1.357 2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 143 7.215 0.160 5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 143 8.744 0.995 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 143 7.599 3.166 4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 143 6.031 2.385 4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 143 6.122 1.815 7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 143 7.873 1.874 7.231 1.00 0.00 H new ATOM 0 HE ARG A 143 7.409 4.506 6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 143 4.472 3.630 7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 143 4.446 4.209 9.213 1.00 0.00 H new ATOM 0 HH21 ARG A 143 7.914 4.614 9.388 1.00 0.00 H new ATOM 0 HH22 ARG A 143 6.378 4.761 10.248 1.00 0.00 H new ATOM 135 N LYS A 144 8.615 2.066 1.475 1.00 0.00 N ATOM 136 CA LYS A 144 9.747 2.739 0.771 1.00 0.00 C ATOM 137 C LYS A 144 9.182 3.765 -0.214 1.00 0.00 C ATOM 138 O LYS A 144 7.985 3.837 -0.422 1.00 0.00 O ATOM 139 CB LYS A 144 10.577 1.698 0.009 1.00 0.00 C ATOM 140 CG LYS A 144 9.649 0.757 -0.768 1.00 0.00 C ATOM 141 CD LYS A 144 10.250 0.458 -2.139 1.00 0.00 C ATOM 142 CE LYS A 144 11.356 -0.589 -1.992 1.00 0.00 C ATOM 143 NZ LYS A 144 11.633 -1.210 -3.319 1.00 0.00 N ATOM 0 H LYS A 144 7.733 2.056 0.962 1.00 0.00 H new ATOM 0 HA LYS A 144 10.385 3.239 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.261 2.197 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 144 11.188 1.126 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 144 9.507 -0.170 -0.212 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.666 1.213 -0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 144 9.477 0.094 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 144 10.654 1.370 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 144 12.261 -0.125 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 144 11.054 -1.354 -1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 12.385 -1.922 -3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.769 -1.666 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 11.938 -0.476 -3.989 1.00 0.00 H new ATOM 157 N THR A 145 10.031 4.560 -0.814 1.00 0.00 N ATOM 158 CA THR A 145 9.542 5.587 -1.780 1.00 0.00 C ATOM 159 C THR A 145 9.538 5.003 -3.193 1.00 0.00 C ATOM 160 O THR A 145 10.200 4.022 -3.472 1.00 0.00 O ATOM 161 CB THR A 145 10.460 6.810 -1.734 1.00 0.00 C ATOM 162 OG1 THR A 145 10.689 7.178 -0.383 1.00 0.00 O ATOM 163 CG2 THR A 145 9.800 7.973 -2.478 1.00 0.00 C ATOM 0 H THR A 145 11.041 4.542 -0.676 1.00 0.00 H new ATOM 0 HA THR A 145 8.529 5.884 -1.510 1.00 0.00 H new ATOM 0 HB THR A 145 11.411 6.570 -2.210 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.278 7.961 -0.352 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.454 8.844 -2.445 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.626 7.689 -3.516 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.849 8.215 -2.004 1.00 0.00 H new ATOM 171 N PHE A 146 8.791 5.603 -4.085 1.00 0.00 N ATOM 172 CA PHE A 146 8.728 5.095 -5.485 1.00 0.00 C ATOM 173 C PHE A 146 9.970 5.552 -6.254 1.00 0.00 C ATOM 174 O PHE A 146 10.855 6.180 -5.700 1.00 0.00 O ATOM 175 CB PHE A 146 7.472 5.644 -6.167 1.00 0.00 C ATOM 176 CG PHE A 146 6.258 4.895 -5.668 1.00 0.00 C ATOM 177 CD1 PHE A 146 5.920 4.926 -4.309 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.471 4.163 -6.566 1.00 0.00 C ATOM 179 CE1 PHE A 146 4.798 4.231 -3.850 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.346 3.468 -6.105 1.00 0.00 C ATOM 181 CZ PHE A 146 4.012 3.503 -4.747 1.00 0.00 C ATOM 0 H PHE A 146 8.220 6.428 -3.900 1.00 0.00 H new ATOM 0 HA PHE A 146 8.692 4.006 -5.476 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.367 6.708 -5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.558 5.539 -7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.527 5.488 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.732 4.135 -7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.538 4.257 -2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.737 2.906 -6.797 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.145 2.966 -4.391 1.00 0.00 H new ATOM 191 N LEU A 147 10.040 5.242 -7.523 1.00 0.00 N ATOM 192 CA LEU A 147 11.222 5.653 -8.338 1.00 0.00 C ATOM 193 C LEU A 147 11.147 7.156 -8.623 1.00 0.00 C ATOM 194 O LEU A 147 12.130 7.865 -8.520 1.00 0.00 O ATOM 195 CB LEU A 147 11.224 4.875 -9.662 1.00 0.00 C ATOM 196 CG LEU A 147 12.652 4.441 -10.030 1.00 0.00 C ATOM 197 CD1 LEU A 147 13.555 5.669 -10.168 1.00 0.00 C ATOM 198 CD2 LEU A 147 13.209 3.517 -8.941 1.00 0.00 C ATOM 0 H LEU A 147 9.326 4.720 -8.032 1.00 0.00 H new ATOM 0 HA LEU A 147 12.138 5.435 -7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 147 10.582 3.998 -9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 147 10.811 5.496 -10.456 1.00 0.00 H new ATOM 0 HG LEU A 147 12.625 3.908 -10.980 1.00 0.00 H new ATOM 0 HD11 LEU A 147 14.564 5.351 -10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 147 13.166 6.320 -10.951 1.00 0.00 H new ATOM 0 HD13 LEU A 147 13.578 6.211 -9.223 1.00 0.00 H new ATOM 0 HD21 LEU A 147 14.221 3.212 -9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 147 13.227 4.047 -7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 147 12.575 2.635 -8.853 1.00 0.00 H new ATOM 210 N LYS A 148 9.986 7.641 -8.982 1.00 0.00 N ATOM 211 CA LYS A 148 9.835 9.097 -9.279 1.00 0.00 C ATOM 212 C LYS A 148 8.498 9.593 -8.727 1.00 0.00 C ATOM 213 O LYS A 148 8.447 10.291 -7.731 1.00 0.00 O ATOM 214 CB LYS A 148 9.878 9.315 -10.794 1.00 0.00 C ATOM 215 CG LYS A 148 11.329 9.518 -11.247 1.00 0.00 C ATOM 216 CD LYS A 148 11.596 11.009 -11.478 1.00 0.00 C ATOM 217 CE LYS A 148 11.434 11.334 -12.964 1.00 0.00 C ATOM 218 NZ LYS A 148 11.724 12.778 -13.191 1.00 0.00 N ATOM 0 H LYS A 148 9.134 7.090 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 148 10.648 9.651 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 148 9.444 8.457 -11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 148 9.278 10.184 -11.063 1.00 0.00 H new ATOM 0 HG2 LYS A 148 12.013 9.129 -10.493 1.00 0.00 H new ATOM 0 HG3 LYS A 148 11.515 8.959 -12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 148 10.904 11.609 -10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 148 12.603 11.264 -11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 148 12.110 10.719 -13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 148 10.421 11.100 -13.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 11.614 13.000 -14.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 11.062 13.357 -12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 12.699 12.987 -12.895 1.00 0.00 H new ATOM 232 N LEU A 149 7.418 9.233 -9.367 1.00 0.00 N ATOM 233 CA LEU A 149 6.073 9.672 -8.892 1.00 0.00 C ATOM 234 C LEU A 149 5.033 8.606 -9.247 1.00 0.00 C ATOM 235 O LEU A 149 5.015 8.082 -10.344 1.00 0.00 O ATOM 236 CB LEU A 149 5.700 11.002 -9.560 1.00 0.00 C ATOM 237 CG LEU A 149 5.023 11.940 -8.545 1.00 0.00 C ATOM 238 CD1 LEU A 149 3.758 11.284 -7.982 1.00 0.00 C ATOM 239 CD2 LEU A 149 5.990 12.250 -7.398 1.00 0.00 C ATOM 0 H LEU A 149 7.409 8.650 -10.204 1.00 0.00 H new ATOM 0 HA LEU A 149 6.096 9.808 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.594 11.477 -9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 149 5.029 10.819 -10.400 1.00 0.00 H new ATOM 0 HG LEU A 149 4.751 12.866 -9.051 1.00 0.00 H new ATOM 0 HD11 LEU A 149 3.288 11.957 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 149 3.063 11.077 -8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 149 4.023 10.351 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 149 5.505 12.914 -6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 149 6.272 11.323 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 149 6.882 12.734 -7.795 1.00 0.00 H new ATOM 251 N ALA A 150 4.170 8.284 -8.319 1.00 0.00 N ATOM 252 CA ALA A 150 3.123 7.253 -8.579 1.00 0.00 C ATOM 253 C ALA A 150 1.745 7.864 -8.291 1.00 0.00 C ATOM 254 O ALA A 150 1.600 9.070 -8.255 1.00 0.00 O ATOM 255 CB ALA A 150 3.381 6.049 -7.664 1.00 0.00 C ATOM 0 H ALA A 150 4.146 8.694 -7.386 1.00 0.00 H new ATOM 0 HA ALA A 150 3.153 6.923 -9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.623 5.287 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.367 5.636 -7.875 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.336 6.367 -6.622 1.00 0.00 H new ATOM 261 N PHE A 151 0.735 7.049 -8.089 1.00 0.00 N ATOM 262 CA PHE A 151 -0.630 7.592 -7.800 1.00 0.00 C ATOM 263 C PHE A 151 -1.426 6.573 -6.964 1.00 0.00 C ATOM 264 O PHE A 151 -1.446 5.398 -7.271 1.00 0.00 O ATOM 265 CB PHE A 151 -1.368 7.839 -9.113 1.00 0.00 C ATOM 266 CG PHE A 151 -1.110 9.238 -9.621 1.00 0.00 C ATOM 267 CD1 PHE A 151 0.011 9.502 -10.416 1.00 0.00 C ATOM 268 CD2 PHE A 151 -2.003 10.271 -9.308 1.00 0.00 C ATOM 269 CE1 PHE A 151 0.244 10.796 -10.893 1.00 0.00 C ATOM 270 CE2 PHE A 151 -1.771 11.565 -9.787 1.00 0.00 C ATOM 271 CZ PHE A 151 -0.648 11.828 -10.580 1.00 0.00 C ATOM 0 H PHE A 151 0.798 6.031 -8.112 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.534 8.526 -7.247 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.046 7.112 -9.858 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.438 7.692 -8.967 1.00 0.00 H new ATOM 0 HD1 PHE A 151 0.697 8.705 -10.662 1.00 0.00 H new ATOM 0 HD2 PHE A 151 -2.870 10.069 -8.697 1.00 0.00 H new ATOM 0 HE1 PHE A 151 1.112 10.999 -11.503 1.00 0.00 H new ATOM 0 HE2 PHE A 151 -2.459 12.361 -9.545 1.00 0.00 H new ATOM 0 HZ PHE A 151 -0.470 12.827 -10.950 1.00 0.00 H new ATOM 281 N CYS A 152 -2.080 7.015 -5.912 1.00 0.00 N ATOM 282 CA CYS A 152 -2.872 6.076 -5.054 1.00 0.00 C ATOM 283 C CYS A 152 -4.292 5.903 -5.592 1.00 0.00 C ATOM 284 O CYS A 152 -5.102 6.806 -5.517 1.00 0.00 O ATOM 285 CB CYS A 152 -2.970 6.644 -3.647 1.00 0.00 C ATOM 286 SG CYS A 152 -3.713 5.407 -2.554 1.00 0.00 S ATOM 0 H CYS A 152 -2.098 7.990 -5.611 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.366 5.111 -5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -1.980 6.919 -3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.573 7.552 -3.650 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.470 6.000 -1.679 1.00 0.00 H new ATOM 291 N ASP A 153 -4.613 4.739 -6.095 1.00 0.00 N ATOM 292 CA ASP A 153 -5.998 4.497 -6.606 1.00 0.00 C ATOM 293 C ASP A 153 -7.017 4.614 -5.450 1.00 0.00 C ATOM 294 O ASP A 153 -8.194 4.819 -5.678 1.00 0.00 O ATOM 295 CB ASP A 153 -6.075 3.092 -7.220 1.00 0.00 C ATOM 296 CG ASP A 153 -6.133 3.193 -8.746 1.00 0.00 C ATOM 297 OD1 ASP A 153 -5.099 3.442 -9.344 1.00 0.00 O ATOM 298 OD2 ASP A 153 -7.212 3.020 -9.291 1.00 0.00 O ATOM 0 H ASP A 153 -3.977 3.945 -6.175 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.236 5.243 -7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.207 2.506 -6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.957 2.571 -6.848 1.00 0.00 H new ATOM 303 N ILE A 154 -6.577 4.471 -4.218 1.00 0.00 N ATOM 304 CA ILE A 154 -7.523 4.559 -3.054 1.00 0.00 C ATOM 305 C ILE A 154 -7.814 6.019 -2.708 1.00 0.00 C ATOM 306 O ILE A 154 -8.880 6.345 -2.218 1.00 0.00 O ATOM 307 CB ILE A 154 -6.878 3.893 -1.824 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.530 2.418 -2.185 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.810 4.010 -0.591 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.637 1.444 -1.751 1.00 0.00 C ATOM 0 H ILE A 154 -5.603 4.297 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.452 4.056 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.954 4.402 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.375 2.335 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.592 2.139 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.338 3.534 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.990 5.062 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.758 3.516 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.354 0.427 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.775 1.507 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.569 1.706 -2.251 1.00 0.00 H new ATOM 322 N CYS A 155 -6.861 6.885 -2.904 1.00 0.00 N ATOM 323 CA CYS A 155 -7.062 8.305 -2.528 1.00 0.00 C ATOM 324 C CYS A 155 -7.284 9.194 -3.761 1.00 0.00 C ATOM 325 O CYS A 155 -7.523 10.378 -3.637 1.00 0.00 O ATOM 326 CB CYS A 155 -5.839 8.741 -1.747 1.00 0.00 C ATOM 327 SG CYS A 155 -5.702 7.713 -0.252 1.00 0.00 S ATOM 0 H CYS A 155 -5.951 6.667 -3.309 1.00 0.00 H new ATOM 0 HA CYS A 155 -7.960 8.408 -1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -4.943 8.638 -2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -5.920 9.794 -1.475 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.448 7.501 0.016 1.00 0.00 H new ATOM 332 N GLN A 156 -7.235 8.629 -4.945 1.00 0.00 N ATOM 333 CA GLN A 156 -7.474 9.426 -6.189 1.00 0.00 C ATOM 334 C GLN A 156 -6.425 10.536 -6.359 1.00 0.00 C ATOM 335 O GLN A 156 -6.580 11.400 -7.203 1.00 0.00 O ATOM 336 CB GLN A 156 -8.874 10.054 -6.135 1.00 0.00 C ATOM 337 CG GLN A 156 -9.870 9.151 -6.869 1.00 0.00 C ATOM 338 CD GLN A 156 -11.265 9.334 -6.269 1.00 0.00 C ATOM 339 OE1 GLN A 156 -11.410 9.464 -5.070 1.00 0.00 O ATOM 340 NE2 GLN A 156 -12.305 9.349 -7.057 1.00 0.00 N ATOM 0 H GLN A 156 -7.038 7.641 -5.103 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.396 8.751 -7.041 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -9.184 10.188 -5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.858 11.043 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.885 9.396 -7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -9.561 8.109 -6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -12.184 9.240 -8.064 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -13.239 9.470 -6.666 1.00 0.00 H new ATOM 349 N LYS A 157 -5.356 10.524 -5.594 1.00 0.00 N ATOM 350 CA LYS A 157 -4.319 11.569 -5.752 1.00 0.00 C ATOM 351 C LYS A 157 -3.009 10.878 -6.107 1.00 0.00 C ATOM 352 O LYS A 157 -2.993 9.729 -6.491 1.00 0.00 O ATOM 353 CB LYS A 157 -4.170 12.343 -4.438 1.00 0.00 C ATOM 354 CG LYS A 157 -5.521 12.945 -4.046 1.00 0.00 C ATOM 355 CD LYS A 157 -5.879 14.072 -5.017 1.00 0.00 C ATOM 356 CE LYS A 157 -6.820 15.062 -4.328 1.00 0.00 C ATOM 357 NZ LYS A 157 -8.048 14.346 -3.875 1.00 0.00 N ATOM 0 H LYS A 157 -5.167 9.831 -4.870 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.595 12.272 -6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.813 11.679 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -3.427 13.132 -4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -6.293 12.176 -4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.478 13.329 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -4.974 14.583 -5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.355 13.661 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -6.320 15.523 -3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -7.087 15.865 -5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -8.799 15.037 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -8.367 13.696 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -7.836 13.805 -3.013 1.00 0.00 H new ATOM 371 N PHE A 158 -1.923 11.572 -5.985 1.00 0.00 N ATOM 372 CA PHE A 158 -0.595 10.985 -6.304 1.00 0.00 C ATOM 373 C PHE A 158 -0.216 9.948 -5.233 1.00 0.00 C ATOM 374 O PHE A 158 -0.929 9.737 -4.271 1.00 0.00 O ATOM 375 CB PHE A 158 0.441 12.122 -6.292 1.00 0.00 C ATOM 376 CG PHE A 158 0.427 12.778 -4.925 1.00 0.00 C ATOM 377 CD1 PHE A 158 1.121 12.184 -3.867 1.00 0.00 C ATOM 378 CD2 PHE A 158 -0.314 13.943 -4.708 1.00 0.00 C ATOM 379 CE1 PHE A 158 1.080 12.754 -2.596 1.00 0.00 C ATOM 380 CE2 PHE A 158 -0.360 14.511 -3.434 1.00 0.00 C ATOM 381 CZ PHE A 158 0.337 13.917 -2.375 1.00 0.00 C ATOM 0 H PHE A 158 -1.895 12.542 -5.671 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.623 10.497 -7.278 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.434 11.731 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.207 12.854 -7.065 1.00 0.00 H new ATOM 0 HD1 PHE A 158 1.690 11.282 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -0.850 14.403 -5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 158 1.622 12.297 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.934 15.410 -3.265 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.301 14.357 -1.389 1.00 0.00 H new ATOM 391 N LEU A 159 0.931 9.350 -5.381 1.00 0.00 N ATOM 392 CA LEU A 159 1.428 8.369 -4.370 1.00 0.00 C ATOM 393 C LEU A 159 2.742 8.908 -3.805 1.00 0.00 C ATOM 394 O LEU A 159 3.601 9.357 -4.543 1.00 0.00 O ATOM 395 CB LEU A 159 1.697 7.017 -5.043 1.00 0.00 C ATOM 396 CG LEU A 159 1.599 5.857 -4.039 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.526 6.076 -2.844 1.00 0.00 C ATOM 398 CD2 LEU A 159 0.164 5.735 -3.540 1.00 0.00 C ATOM 0 H LEU A 159 1.558 9.500 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 159 0.687 8.234 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.981 6.862 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.689 7.025 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 159 1.902 4.943 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 159 2.433 5.238 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 159 3.557 6.147 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.251 6.999 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.095 4.912 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.131 6.663 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.499 5.542 -4.383 1.00 0.00 H new ATOM 410 N LEU A 160 2.906 8.879 -2.510 1.00 0.00 N ATOM 411 CA LEU A 160 4.151 9.392 -1.897 1.00 0.00 C ATOM 412 C LEU A 160 4.839 8.246 -1.153 1.00 0.00 C ATOM 413 O LEU A 160 4.347 7.135 -1.135 1.00 0.00 O ATOM 414 CB LEU A 160 3.776 10.508 -0.918 1.00 0.00 C ATOM 415 CG LEU A 160 2.826 9.969 0.172 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.488 10.094 1.546 1.00 0.00 C ATOM 417 CD2 LEU A 160 1.522 10.773 0.171 1.00 0.00 C ATOM 0 H LEU A 160 2.219 8.517 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 160 4.829 9.783 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 160 4.676 10.914 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 160 3.297 11.326 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 160 2.610 8.921 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 160 2.813 9.712 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.413 9.518 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.711 11.142 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.856 10.387 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.741 11.822 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.040 10.683 -0.802 1.00 0.00 H new ATOM 429 N ASN A 161 5.972 8.494 -0.540 1.00 0.00 N ATOM 430 CA ASN A 161 6.689 7.403 0.200 1.00 0.00 C ATOM 431 C ASN A 161 5.723 6.728 1.185 1.00 0.00 C ATOM 432 O ASN A 161 5.489 7.225 2.272 1.00 0.00 O ATOM 433 CB ASN A 161 7.867 8.002 0.973 1.00 0.00 C ATOM 434 CG ASN A 161 8.690 6.884 1.621 1.00 0.00 C ATOM 435 OD1 ASN A 161 8.248 5.755 1.711 1.00 0.00 O ATOM 436 ND2 ASN A 161 9.881 7.155 2.083 1.00 0.00 N ATOM 0 H ASN A 161 6.432 9.404 -0.519 1.00 0.00 H new ATOM 0 HA ASN A 161 7.056 6.664 -0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.496 8.585 0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 161 7.500 8.686 1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 161 10.439 6.420 2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 161 10.254 8.102 2.008 1.00 0.00 H new ATOM 443 N GLY A 162 5.145 5.611 0.802 1.00 0.00 N ATOM 444 CA GLY A 162 4.181 4.924 1.707 1.00 0.00 C ATOM 445 C GLY A 162 4.381 3.413 1.637 1.00 0.00 C ATOM 446 O GLY A 162 5.412 2.900 2.024 1.00 0.00 O ATOM 0 H GLY A 162 5.302 5.152 -0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.322 5.270 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.160 5.177 1.422 1.00 0.00 H new ATOM 450 N PHE A 163 3.396 2.699 1.155 1.00 0.00 N ATOM 451 CA PHE A 163 3.514 1.214 1.070 1.00 0.00 C ATOM 452 C PHE A 163 3.052 0.724 -0.307 1.00 0.00 C ATOM 453 O PHE A 163 1.891 0.843 -0.659 1.00 0.00 O ATOM 454 CB PHE A 163 2.621 0.578 2.139 1.00 0.00 C ATOM 455 CG PHE A 163 3.382 0.438 3.435 1.00 0.00 C ATOM 456 CD1 PHE A 163 4.229 -0.657 3.633 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.227 1.397 4.443 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.926 -0.792 4.841 1.00 0.00 C ATOM 459 CE2 PHE A 163 3.922 1.262 5.651 1.00 0.00 C ATOM 460 CZ PHE A 163 4.772 0.167 5.850 1.00 0.00 C ATOM 0 H PHE A 163 2.514 3.082 0.816 1.00 0.00 H new ATOM 0 HA PHE A 163 4.556 0.933 1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.733 1.191 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.278 -0.400 1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 163 4.346 -1.398 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 163 2.571 2.241 4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 163 5.582 -1.636 4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 163 3.803 2.002 6.429 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.309 0.062 6.781 1.00 0.00 H new ATOM 470 N ARG A 164 3.946 0.165 -1.082 1.00 0.00 N ATOM 471 CA ARG A 164 3.560 -0.353 -2.435 1.00 0.00 C ATOM 472 C ARG A 164 3.819 -1.862 -2.506 1.00 0.00 C ATOM 473 O ARG A 164 4.636 -2.398 -1.781 1.00 0.00 O ATOM 474 CB ARG A 164 4.375 0.335 -3.550 1.00 0.00 C ATOM 475 CG ARG A 164 5.724 0.853 -3.025 1.00 0.00 C ATOM 476 CD ARG A 164 6.682 1.086 -4.196 1.00 0.00 C ATOM 477 NE ARG A 164 7.656 -0.040 -4.273 1.00 0.00 N ATOM 478 CZ ARG A 164 8.365 -0.214 -5.354 1.00 0.00 C ATOM 479 NH1 ARG A 164 9.036 0.783 -5.862 1.00 0.00 N ATOM 480 NH2 ARG A 164 8.404 -1.386 -5.928 1.00 0.00 N ATOM 0 H ARG A 164 4.929 0.043 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 164 2.502 -0.139 -2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.547 -0.369 -4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.801 1.165 -3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.577 1.781 -2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.154 0.133 -2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 164 6.122 1.161 -5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 164 7.211 2.030 -4.065 1.00 0.00 H new ATOM 0 HE ARG A 164 7.768 -0.674 -3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 164 9.006 1.699 -5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 164 9.590 0.647 -6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 164 7.880 -2.166 -5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 164 8.958 -1.522 -6.773 1.00 0.00 H new ATOM 494 N CYS A 165 3.135 -2.545 -3.394 1.00 0.00 N ATOM 495 CA CYS A 165 3.343 -4.022 -3.546 1.00 0.00 C ATOM 496 C CYS A 165 4.454 -4.235 -4.572 1.00 0.00 C ATOM 497 O CYS A 165 4.356 -3.787 -5.700 1.00 0.00 O ATOM 498 CB CYS A 165 2.037 -4.676 -4.030 1.00 0.00 C ATOM 499 SG CYS A 165 2.218 -6.477 -4.182 1.00 0.00 S ATOM 0 H CYS A 165 2.440 -2.142 -4.022 1.00 0.00 H new ATOM 0 HA CYS A 165 3.623 -4.474 -2.594 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.232 -4.447 -3.331 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.752 -4.254 -4.994 1.00 0.00 H new ATOM 0 HG CYS A 165 1.045 -7.036 -4.146 1.00 0.00 H new ATOM 504 N GLN A 166 5.523 -4.886 -4.182 1.00 0.00 N ATOM 505 CA GLN A 166 6.665 -5.103 -5.125 1.00 0.00 C ATOM 506 C GLN A 166 6.438 -6.343 -6.004 1.00 0.00 C ATOM 507 O GLN A 166 7.349 -6.809 -6.663 1.00 0.00 O ATOM 508 CB GLN A 166 7.954 -5.289 -4.322 1.00 0.00 C ATOM 509 CG GLN A 166 9.151 -4.825 -5.156 1.00 0.00 C ATOM 510 CD GLN A 166 10.449 -5.245 -4.466 1.00 0.00 C ATOM 511 OE1 GLN A 166 10.499 -5.357 -3.256 1.00 0.00 O ATOM 512 NE2 GLN A 166 11.512 -5.483 -5.187 1.00 0.00 N ATOM 0 H GLN A 166 5.654 -5.277 -3.249 1.00 0.00 H new ATOM 0 HA GLN A 166 6.741 -4.231 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.902 -4.719 -3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 166 8.074 -6.337 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 166 9.101 -5.258 -6.155 1.00 0.00 H new ATOM 0 HG3 GLN A 166 9.125 -3.742 -5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 166 11.471 -5.389 -6.202 1.00 0.00 H new ATOM 0 HE22 GLN A 166 12.383 -5.762 -4.735 1.00 0.00 H new ATOM 521 N THR A 167 5.242 -6.882 -6.029 1.00 0.00 N ATOM 522 CA THR A 167 4.978 -8.084 -6.872 1.00 0.00 C ATOM 523 C THR A 167 3.942 -7.737 -7.947 1.00 0.00 C ATOM 524 O THR A 167 3.998 -8.247 -9.051 1.00 0.00 O ATOM 525 CB THR A 167 4.463 -9.242 -6.002 1.00 0.00 C ATOM 526 OG1 THR A 167 4.447 -8.853 -4.633 1.00 0.00 O ATOM 527 CG2 THR A 167 5.371 -10.465 -6.172 1.00 0.00 C ATOM 0 H THR A 167 4.439 -6.539 -5.501 1.00 0.00 H new ATOM 0 HA THR A 167 5.907 -8.395 -7.351 1.00 0.00 H new ATOM 0 HB THR A 167 3.451 -9.495 -6.317 1.00 0.00 H new ATOM 0 HG1 THR A 167 3.772 -8.155 -4.499 1.00 0.00 H new ATOM 0 HG21 THR A 167 5.001 -11.282 -5.553 1.00 0.00 H new ATOM 0 HG22 THR A 167 5.373 -10.774 -7.217 1.00 0.00 H new ATOM 0 HG23 THR A 167 6.386 -10.210 -5.867 1.00 0.00 H new ATOM 535 N CYS A 168 3.001 -6.873 -7.641 1.00 0.00 N ATOM 536 CA CYS A 168 1.973 -6.497 -8.658 1.00 0.00 C ATOM 537 C CYS A 168 2.096 -5.007 -9.022 1.00 0.00 C ATOM 538 O CYS A 168 1.473 -4.545 -9.962 1.00 0.00 O ATOM 539 CB CYS A 168 0.553 -6.813 -8.129 1.00 0.00 C ATOM 540 SG CYS A 168 0.080 -5.712 -6.758 1.00 0.00 S ATOM 0 H CYS A 168 2.903 -6.416 -6.735 1.00 0.00 H new ATOM 0 HA CYS A 168 2.144 -7.085 -9.560 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -0.168 -6.713 -8.941 1.00 0.00 H new ATOM 0 HB3 CYS A 168 0.513 -7.849 -7.793 1.00 0.00 H new ATOM 0 HG CYS A 168 0.775 -6.012 -5.701 1.00 0.00 H new ATOM 545 N GLY A 169 2.885 -4.250 -8.291 1.00 0.00 N ATOM 546 CA GLY A 169 3.025 -2.800 -8.605 1.00 0.00 C ATOM 547 C GLY A 169 1.855 -2.056 -7.975 1.00 0.00 C ATOM 548 O GLY A 169 1.149 -1.312 -8.632 1.00 0.00 O ATOM 0 H GLY A 169 3.433 -4.577 -7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.970 -2.418 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 169 3.036 -2.645 -9.684 1.00 0.00 H new ATOM 552 N TYR A 170 1.644 -2.259 -6.702 1.00 0.00 N ATOM 553 CA TYR A 170 0.518 -1.576 -6.008 1.00 0.00 C ATOM 554 C TYR A 170 1.031 -0.279 -5.392 1.00 0.00 C ATOM 555 O TYR A 170 2.225 -0.072 -5.281 1.00 0.00 O ATOM 556 CB TYR A 170 -0.057 -2.488 -4.922 1.00 0.00 C ATOM 557 CG TYR A 170 -1.499 -2.124 -4.657 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.413 -2.017 -5.715 1.00 0.00 C ATOM 559 CD2 TYR A 170 -1.922 -1.897 -3.347 1.00 0.00 C ATOM 560 CE1 TYR A 170 -3.748 -1.681 -5.458 1.00 0.00 C ATOM 561 CE2 TYR A 170 -3.256 -1.562 -3.087 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.169 -1.453 -4.141 1.00 0.00 C ATOM 563 OH TYR A 170 -5.486 -1.123 -3.884 1.00 0.00 O ATOM 0 H TYR A 170 2.207 -2.872 -6.112 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.274 -1.351 -6.723 1.00 0.00 H new ATOM 0 HB2 TYR A 170 0.013 -3.530 -5.235 1.00 0.00 H new ATOM 0 HB3 TYR A 170 0.526 -2.390 -4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.087 -2.194 -6.729 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -1.219 -1.980 -2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.452 -1.598 -6.273 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -3.581 -1.388 -2.072 1.00 0.00 H new ATOM 0 HH TYR A 170 -5.610 -1.000 -2.920 1.00 0.00 H new ATOM 573 N LYS A 171 0.142 0.603 -5.017 1.00 0.00 N ATOM 574 CA LYS A 171 0.583 1.914 -4.447 1.00 0.00 C ATOM 575 C LYS A 171 -0.467 2.441 -3.471 1.00 0.00 C ATOM 576 O LYS A 171 -1.600 2.670 -3.856 1.00 0.00 O ATOM 577 CB LYS A 171 0.764 2.955 -5.584 1.00 0.00 C ATOM 578 CG LYS A 171 -0.048 2.584 -6.846 1.00 0.00 C ATOM 579 CD LYS A 171 -1.548 2.688 -6.562 1.00 0.00 C ATOM 580 CE LYS A 171 -2.331 2.733 -7.880 1.00 0.00 C ATOM 581 NZ LYS A 171 -3.152 1.495 -8.009 1.00 0.00 N ATOM 0 H LYS A 171 -0.868 0.475 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 171 1.529 1.762 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 171 0.452 3.937 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 171 1.820 3.030 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 171 0.220 3.248 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 171 0.200 1.570 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 171 -1.873 1.836 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 171 -1.754 3.584 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 171 -2.973 3.613 -7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -1.644 2.816 -8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 -3.957 1.677 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 -2.568 0.730 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 -3.505 1.213 -7.072 1.00 0.00 H new ATOM 595 N PHE A 172 -0.119 2.666 -2.215 1.00 0.00 N ATOM 596 CA PHE A 172 -1.151 3.211 -1.286 1.00 0.00 C ATOM 597 C PHE A 172 -0.562 3.707 0.057 1.00 0.00 C ATOM 598 O PHE A 172 0.353 3.135 0.614 1.00 0.00 O ATOM 599 CB PHE A 172 -2.264 2.156 -1.117 1.00 0.00 C ATOM 600 CG PHE A 172 -1.985 1.153 -0.013 1.00 0.00 C ATOM 601 CD1 PHE A 172 -2.066 1.532 1.326 1.00 0.00 C ATOM 602 CD2 PHE A 172 -1.687 -0.166 -0.341 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.844 0.603 2.338 1.00 0.00 C ATOM 604 CE2 PHE A 172 -1.468 -1.106 0.666 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.545 -0.723 2.010 1.00 0.00 C ATOM 0 H PHE A 172 0.804 2.500 -1.813 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.584 4.111 -1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.206 2.663 -0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.393 1.622 -2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.303 2.555 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.625 -0.463 -1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.902 0.905 3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -1.239 -2.130 0.409 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.374 -1.449 2.791 1.00 0.00 H new ATOM 615 N HIS A 173 -1.098 4.811 0.542 1.00 0.00 N ATOM 616 CA HIS A 173 -0.621 5.454 1.827 1.00 0.00 C ATOM 617 C HIS A 173 -1.206 4.729 3.085 1.00 0.00 C ATOM 618 O HIS A 173 -1.246 3.519 3.136 1.00 0.00 O ATOM 619 CB HIS A 173 -1.044 6.944 1.856 1.00 0.00 C ATOM 620 CG HIS A 173 -1.202 7.534 0.506 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.430 7.523 -0.171 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.344 8.253 -0.245 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.235 8.260 -1.272 1.00 0.00 C ATOM 624 NE2 HIS A 173 -0.981 8.716 -1.358 1.00 0.00 N ATOM 0 H HIS A 173 -1.866 5.308 0.091 1.00 0.00 H new ATOM 0 HA HIS A 173 0.465 5.370 1.857 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -1.985 7.037 2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.299 7.515 2.410 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.692 8.435 -0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.002 8.463 -2.005 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.584 9.290 -2.101 1.00 0.00 H new ATOM 632 N GLU A 174 -1.637 5.459 4.119 1.00 0.00 N ATOM 633 CA GLU A 174 -2.190 4.805 5.349 1.00 0.00 C ATOM 634 C GLU A 174 -3.725 4.691 5.260 1.00 0.00 C ATOM 635 O GLU A 174 -4.334 3.929 5.988 1.00 0.00 O ATOM 636 CB GLU A 174 -1.819 5.639 6.578 1.00 0.00 C ATOM 637 CG GLU A 174 -2.314 7.075 6.393 1.00 0.00 C ATOM 638 CD GLU A 174 -2.327 7.790 7.746 1.00 0.00 C ATOM 639 OE1 GLU A 174 -1.259 7.976 8.306 1.00 0.00 O ATOM 640 OE2 GLU A 174 -3.404 8.141 8.198 1.00 0.00 O ATOM 0 H GLU A 174 -1.623 6.478 4.148 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.766 3.804 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.263 5.203 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -0.739 5.632 6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -1.667 7.607 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -3.315 7.073 5.961 1.00 0.00 H new ATOM 647 N HIS A 175 -4.357 5.411 4.356 1.00 0.00 N ATOM 648 CA HIS A 175 -5.850 5.316 4.196 1.00 0.00 C ATOM 649 C HIS A 175 -6.188 4.152 3.272 1.00 0.00 C ATOM 650 O HIS A 175 -7.222 4.155 2.620 1.00 0.00 O ATOM 651 CB HIS A 175 -6.357 6.568 3.479 1.00 0.00 C ATOM 652 CG HIS A 175 -6.448 7.721 4.439 1.00 0.00 C ATOM 653 ND1 HIS A 175 -6.590 7.533 5.824 1.00 0.00 N ATOM 654 CD2 HIS A 175 -6.422 9.077 4.242 1.00 0.00 C ATOM 655 CE1 HIS A 175 -6.639 8.759 6.374 1.00 0.00 C ATOM 656 NE2 HIS A 175 -6.540 9.721 5.446 1.00 0.00 N ATOM 0 H HIS A 175 -3.900 6.064 3.719 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.297 5.196 5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.686 6.822 2.658 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.336 6.373 3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -6.323 9.564 3.283 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -6.745 8.945 7.432 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -6.550 10.729 5.604 1.00 0.00 H new ATOM 664 N CYS A 176 -5.290 3.224 3.112 1.00 0.00 N ATOM 665 CA CYS A 176 -5.517 2.165 2.132 1.00 0.00 C ATOM 666 C CYS A 176 -4.821 0.873 2.572 1.00 0.00 C ATOM 667 O CYS A 176 -4.440 0.054 1.757 1.00 0.00 O ATOM 668 CB CYS A 176 -4.960 2.675 0.779 1.00 0.00 C ATOM 669 SG CYS A 176 -4.079 4.305 0.934 1.00 0.00 S ATOM 0 H CYS A 176 -4.411 3.165 3.625 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.578 1.934 2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.274 1.933 0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.780 2.776 0.068 1.00 0.00 H new ATOM 0 HG CYS A 176 -3.903 4.817 -0.248 1.00 0.00 H new ATOM 674 N SER A 177 -4.675 0.681 3.861 1.00 0.00 N ATOM 675 CA SER A 177 -4.021 -0.560 4.374 1.00 0.00 C ATOM 676 C SER A 177 -5.096 -1.549 4.834 1.00 0.00 C ATOM 677 O SER A 177 -5.129 -2.687 4.404 1.00 0.00 O ATOM 678 CB SER A 177 -3.119 -0.214 5.561 1.00 0.00 C ATOM 679 OG SER A 177 -2.744 -1.410 6.231 1.00 0.00 O ATOM 0 H SER A 177 -4.983 1.334 4.581 1.00 0.00 H new ATOM 0 HA SER A 177 -3.424 -1.006 3.579 1.00 0.00 H new ATOM 0 HB2 SER A 177 -2.232 0.316 5.216 1.00 0.00 H new ATOM 0 HB3 SER A 177 -3.642 0.452 6.247 1.00 0.00 H new ATOM 0 HG SER A 177 -2.165 -1.192 6.991 1.00 0.00 H new ATOM 685 N THR A 178 -5.972 -1.121 5.706 1.00 0.00 N ATOM 686 CA THR A 178 -7.050 -2.028 6.203 1.00 0.00 C ATOM 687 C THR A 178 -8.338 -1.770 5.420 1.00 0.00 C ATOM 688 O THR A 178 -9.134 -2.665 5.208 1.00 0.00 O ATOM 689 CB THR A 178 -7.297 -1.770 7.694 1.00 0.00 C ATOM 690 OG1 THR A 178 -6.937 -0.431 8.013 1.00 0.00 O ATOM 691 CG2 THR A 178 -6.461 -2.743 8.530 1.00 0.00 C ATOM 0 H THR A 178 -5.987 -0.179 6.097 1.00 0.00 H new ATOM 0 HA THR A 178 -6.741 -3.064 6.063 1.00 0.00 H new ATOM 0 HB THR A 178 -8.353 -1.921 7.917 1.00 0.00 H new ATOM 0 HG1 THR A 178 -7.097 -0.267 8.966 1.00 0.00 H new ATOM 0 HG21 THR A 178 -6.638 -2.558 9.589 1.00 0.00 H new ATOM 0 HG22 THR A 178 -6.745 -3.767 8.288 1.00 0.00 H new ATOM 0 HG23 THR A 178 -5.404 -2.598 8.308 1.00 0.00 H new ATOM 699 N LYS A 179 -8.543 -0.552 4.984 1.00 0.00 N ATOM 700 CA LYS A 179 -9.776 -0.225 4.207 1.00 0.00 C ATOM 701 C LYS A 179 -9.790 -1.035 2.907 1.00 0.00 C ATOM 702 O LYS A 179 -10.838 -1.350 2.377 1.00 0.00 O ATOM 703 CB LYS A 179 -9.787 1.269 3.878 1.00 0.00 C ATOM 704 CG LYS A 179 -11.129 1.648 3.247 1.00 0.00 C ATOM 705 CD LYS A 179 -11.213 3.169 3.103 1.00 0.00 C ATOM 706 CE LYS A 179 -12.677 3.591 2.975 1.00 0.00 C ATOM 707 NZ LYS A 179 -12.749 4.978 2.435 1.00 0.00 N ATOM 0 H LYS A 179 -7.907 0.231 5.134 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.657 -0.474 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -9.623 1.852 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -8.972 1.507 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -11.231 1.173 2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -11.950 1.285 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -10.759 3.652 3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -10.652 3.493 2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -13.208 2.905 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -13.167 3.542 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -13.745 5.265 2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -12.256 5.628 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -12.296 5.010 1.499 1.00 0.00 H new ATOM 721 N VAL A 180 -8.632 -1.372 2.394 1.00 0.00 N ATOM 722 CA VAL A 180 -8.563 -2.161 1.129 1.00 0.00 C ATOM 723 C VAL A 180 -9.270 -3.527 1.333 1.00 0.00 C ATOM 724 O VAL A 180 -8.786 -4.346 2.090 1.00 0.00 O ATOM 725 CB VAL A 180 -7.087 -2.380 0.761 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.367 -3.104 1.902 1.00 0.00 C ATOM 727 CG2 VAL A 180 -6.983 -3.214 -0.522 1.00 0.00 C ATOM 0 H VAL A 180 -7.728 -1.132 2.801 1.00 0.00 H new ATOM 0 HA VAL A 180 -9.062 -1.623 0.323 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.618 -1.410 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.321 -3.256 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.426 -2.502 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.841 -4.070 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -5.933 -3.364 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -7.460 -4.181 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -7.481 -2.690 -1.338 1.00 0.00 H new