USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=11 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 20:sc= -0.743 USER MOD Set 1.2: A 155 CYS SG : rot 147:sc= 1.03 USER MOD Set 1.3: A 173 HIS : no HD1:sc= -5.13! C(o=-7.1!,f=-12!) USER MOD Set 1.4: A 176 CYS SG : rot -168:sc= -2.22 USER MOD Set 2.1: A 139 HIS : no HD1:sc= -1.83 K(o=-3.7,f=-5.4!) USER MOD Set 2.2: A 165 CYS SG : rot -54:sc= -2.21 USER MOD Set 2.3: A 168 CYS SG : rot -72:sc= 0.3 USER MOD Single : A 140 ASN : amide:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.593 X(o=-0.59,f=-0.99) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 ASN : amide:sc= -3.12 K(o=-3.1,f=-9.3!) USER MOD Single : A 166 GLN :FLIP amide:sc= -0.134 F(o=-1.5,f=-0.13) 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= -0.208 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 ----------------------------------------------------------------- ATOM 50 N HIS A 139 -0.431 -10.118 -1.994 1.00 0.00 N ATOM 51 CA HIS A 139 -0.137 -8.668 -1.791 1.00 0.00 C ATOM 52 C HIS A 139 1.170 -8.534 -1.012 1.00 0.00 C ATOM 53 O HIS A 139 1.755 -9.508 -0.580 1.00 0.00 O ATOM 54 CB HIS A 139 -1.279 -8.004 -1.000 1.00 0.00 C ATOM 55 CG HIS A 139 -1.786 -6.763 -1.708 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.226 -6.268 -2.905 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.807 -5.902 -1.395 1.00 0.00 C ATOM 58 CE1 HIS A 139 -1.928 -5.172 -3.232 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.892 -4.916 -2.343 1.00 0.00 N ATOM 0 HA HIS A 139 -0.047 -8.175 -2.759 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.097 -8.713 -0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.928 -7.739 -0.003 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -3.448 -5.988 -0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.737 -4.570 -4.108 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -3.557 -4.143 -2.365 1.00 0.00 H new ATOM 67 N ASN A 140 1.619 -7.328 -0.838 1.00 0.00 N ATOM 68 CA ASN A 140 2.886 -7.087 -0.098 1.00 0.00 C ATOM 69 C ASN A 140 2.881 -5.641 0.389 1.00 0.00 C ATOM 70 O ASN A 140 2.188 -4.804 -0.161 1.00 0.00 O ATOM 71 CB ASN A 140 4.078 -7.318 -1.030 1.00 0.00 C ATOM 72 CG ASN A 140 5.217 -7.981 -0.252 1.00 0.00 C ATOM 73 OD1 ASN A 140 5.355 -9.189 -0.264 1.00 0.00 O ATOM 74 ND2 ASN A 140 6.045 -7.237 0.430 1.00 0.00 N ATOM 0 H ASN A 140 1.157 -6.486 -1.181 1.00 0.00 H new ATOM 0 HA ASN A 140 2.968 -7.769 0.748 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.781 -7.949 -1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.414 -6.370 -1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 140 6.807 -7.669 0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 140 5.930 -6.224 0.440 1.00 0.00 H new ATOM 81 N PHE A 141 3.631 -5.340 1.415 1.00 0.00 N ATOM 82 CA PHE A 141 3.641 -3.940 1.930 1.00 0.00 C ATOM 83 C PHE A 141 5.017 -3.609 2.512 1.00 0.00 C ATOM 84 O PHE A 141 5.351 -4.010 3.611 1.00 0.00 O ATOM 85 CB PHE A 141 2.569 -3.778 3.023 1.00 0.00 C ATOM 86 CG PHE A 141 1.271 -4.435 2.590 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.420 -3.788 1.683 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.923 -5.695 3.096 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.777 -4.399 1.287 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.273 -6.303 2.700 1.00 0.00 C ATOM 91 CZ PHE A 141 -1.122 -5.657 1.797 1.00 0.00 C ATOM 0 H PHE A 141 4.232 -5.996 1.915 1.00 0.00 H new ATOM 0 HA PHE A 141 3.424 -3.259 1.107 1.00 0.00 H new ATOM 0 HB2 PHE A 141 2.918 -4.226 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.400 -2.720 3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.687 -2.818 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.579 -6.197 3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.433 -3.900 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.541 -7.273 3.093 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.045 -6.128 1.492 1.00 0.00 H new ATOM 101 N ALA A 142 5.808 -2.867 1.782 1.00 0.00 N ATOM 102 CA ALA A 142 7.160 -2.482 2.278 1.00 0.00 C ATOM 103 C ALA A 142 7.249 -0.957 2.303 1.00 0.00 C ATOM 104 O ALA A 142 6.831 -0.292 1.374 1.00 0.00 O ATOM 105 CB ALA A 142 8.232 -3.047 1.345 1.00 0.00 C ATOM 0 H ALA A 142 5.572 -2.509 0.856 1.00 0.00 H new ATOM 0 HA ALA A 142 7.320 -2.882 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.219 -2.763 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.154 -4.134 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 142 8.088 -2.647 0.341 1.00 0.00 H new ATOM 111 N ARG A 143 7.774 -0.398 3.363 1.00 0.00 N ATOM 112 CA ARG A 143 7.870 1.089 3.452 1.00 0.00 C ATOM 113 C ARG A 143 9.044 1.592 2.609 1.00 0.00 C ATOM 114 O ARG A 143 10.130 1.816 3.110 1.00 0.00 O ATOM 115 CB ARG A 143 8.072 1.515 4.909 1.00 0.00 C ATOM 116 CG ARG A 143 9.237 0.733 5.526 1.00 0.00 C ATOM 117 CD ARG A 143 10.088 1.669 6.387 1.00 0.00 C ATOM 118 NE ARG A 143 10.725 0.887 7.485 1.00 0.00 N ATOM 119 CZ ARG A 143 11.247 1.506 8.508 1.00 0.00 C ATOM 120 NH1 ARG A 143 12.484 1.917 8.457 1.00 0.00 N ATOM 121 NH2 ARG A 143 10.533 1.711 9.579 1.00 0.00 N ATOM 0 H ARG A 143 8.139 -0.906 4.169 1.00 0.00 H new ATOM 0 HA ARG A 143 6.944 1.521 3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.274 2.585 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 143 7.160 1.336 5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 143 8.855 -0.088 6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 143 9.848 0.291 4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 143 10.853 2.149 5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 143 9.468 2.463 6.803 1.00 0.00 H new ATOM 0 HE ARG A 143 10.753 -0.131 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 143 13.041 1.754 7.618 1.00 0.00 H new ATOM 0 HH12 ARG A 143 12.894 2.401 9.256 1.00 0.00 H new ATOM 0 HH21 ARG A 143 9.566 1.387 9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 143 10.941 2.195 10.379 1.00 0.00 H new ATOM 135 N LYS A 144 8.824 1.786 1.335 1.00 0.00 N ATOM 136 CA LYS A 144 9.913 2.292 0.447 1.00 0.00 C ATOM 137 C LYS A 144 9.340 3.385 -0.453 1.00 0.00 C ATOM 138 O LYS A 144 8.137 3.548 -0.554 1.00 0.00 O ATOM 139 CB LYS A 144 10.494 1.155 -0.413 1.00 0.00 C ATOM 140 CG LYS A 144 9.385 0.203 -0.877 1.00 0.00 C ATOM 141 CD LYS A 144 9.764 -0.405 -2.231 1.00 0.00 C ATOM 142 CE LYS A 144 11.018 -1.271 -2.076 1.00 0.00 C ATOM 143 NZ LYS A 144 11.689 -1.417 -3.399 1.00 0.00 N ATOM 0 H LYS A 144 7.933 1.615 0.869 1.00 0.00 H new ATOM 0 HA LYS A 144 10.719 2.693 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.006 1.573 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 144 11.238 0.602 0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 144 9.238 -0.587 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.441 0.741 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.940 -1.007 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 144 9.945 0.387 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 144 11.701 -0.816 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 144 10.749 -2.251 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 12.540 -2.005 -3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 11.037 -1.869 -4.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 11.959 -0.479 -3.757 1.00 0.00 H new ATOM 157 N THR A 145 10.188 4.148 -1.092 1.00 0.00 N ATOM 158 CA THR A 145 9.698 5.245 -1.965 1.00 0.00 C ATOM 159 C THR A 145 9.260 4.687 -3.319 1.00 0.00 C ATOM 160 O THR A 145 9.434 3.518 -3.607 1.00 0.00 O ATOM 161 CB THR A 145 10.823 6.260 -2.168 1.00 0.00 C ATOM 162 OG1 THR A 145 11.880 5.651 -2.897 1.00 0.00 O ATOM 163 CG2 THR A 145 11.348 6.739 -0.810 1.00 0.00 C ATOM 0 H THR A 145 11.203 4.055 -1.044 1.00 0.00 H new ATOM 0 HA THR A 145 8.843 5.728 -1.492 1.00 0.00 H new ATOM 0 HB THR A 145 10.439 7.116 -2.723 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.602 6.300 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 145 12.149 7.462 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 145 10.538 7.209 -0.252 1.00 0.00 H new ATOM 0 HG23 THR A 145 11.731 5.888 -0.247 1.00 0.00 H new ATOM 171 N PHE A 146 8.677 5.520 -4.143 1.00 0.00 N ATOM 172 CA PHE A 146 8.203 5.060 -5.479 1.00 0.00 C ATOM 173 C PHE A 146 9.118 5.590 -6.578 1.00 0.00 C ATOM 174 O PHE A 146 10.116 6.237 -6.317 1.00 0.00 O ATOM 175 CB PHE A 146 6.790 5.589 -5.716 1.00 0.00 C ATOM 176 CG PHE A 146 5.822 4.824 -4.857 1.00 0.00 C ATOM 177 CD1 PHE A 146 5.625 5.196 -3.522 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.121 3.743 -5.395 1.00 0.00 C ATOM 179 CE1 PHE A 146 4.726 4.481 -2.724 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.225 3.030 -4.600 1.00 0.00 C ATOM 181 CZ PHE A 146 4.026 3.397 -3.263 1.00 0.00 C ATOM 0 H PHE A 146 8.509 6.506 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 146 8.211 3.970 -5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 146 6.743 6.652 -5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 146 6.522 5.485 -6.767 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.167 6.034 -3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.273 3.460 -6.426 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.573 4.766 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.683 2.193 -5.016 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.332 2.843 -2.648 1.00 0.00 H new ATOM 191 N LEU A 147 8.768 5.330 -7.811 1.00 0.00 N ATOM 192 CA LEU A 147 9.588 5.818 -8.952 1.00 0.00 C ATOM 193 C LEU A 147 9.493 7.350 -9.001 1.00 0.00 C ATOM 194 O LEU A 147 9.210 7.987 -8.005 1.00 0.00 O ATOM 195 CB LEU A 147 9.045 5.198 -10.251 1.00 0.00 C ATOM 196 CG LEU A 147 10.151 4.402 -10.952 1.00 0.00 C ATOM 197 CD1 LEU A 147 9.522 3.313 -11.823 1.00 0.00 C ATOM 198 CD2 LEU A 147 10.981 5.340 -11.833 1.00 0.00 C ATOM 0 H LEU A 147 7.941 4.795 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 147 10.633 5.530 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 147 8.201 4.545 -10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 147 8.675 5.982 -10.911 1.00 0.00 H new ATOM 0 HG LEU A 147 10.796 3.944 -10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 147 10.308 2.747 -12.322 1.00 0.00 H new ATOM 0 HD12 LEU A 147 8.933 2.642 -11.198 1.00 0.00 H new ATOM 0 HD13 LEU A 147 8.876 3.773 -12.571 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.767 4.771 -12.330 1.00 0.00 H new ATOM 0 HD22 LEU A 147 10.337 5.801 -12.582 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.431 6.117 -11.215 1.00 0.00 H new ATOM 210 N LYS A 148 9.733 7.947 -10.144 1.00 0.00 N ATOM 211 CA LYS A 148 9.665 9.437 -10.257 1.00 0.00 C ATOM 212 C LYS A 148 8.312 9.958 -9.755 1.00 0.00 C ATOM 213 O LYS A 148 8.240 10.998 -9.127 1.00 0.00 O ATOM 214 CB LYS A 148 9.850 9.841 -11.721 1.00 0.00 C ATOM 215 CG LYS A 148 11.342 9.920 -12.048 1.00 0.00 C ATOM 216 CD LYS A 148 11.807 8.593 -12.651 1.00 0.00 C ATOM 217 CE LYS A 148 13.131 8.805 -13.388 1.00 0.00 C ATOM 218 NZ LYS A 148 13.799 7.489 -13.596 1.00 0.00 N ATOM 0 H LYS A 148 9.974 7.462 -11.008 1.00 0.00 H new ATOM 0 HA LYS A 148 10.456 9.871 -9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 148 9.363 9.116 -12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 148 9.376 10.805 -11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 148 11.528 10.734 -12.748 1.00 0.00 H new ATOM 0 HG3 LYS A 148 11.911 10.140 -11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 148 11.931 7.848 -11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 148 11.053 8.209 -13.338 1.00 0.00 H new ATOM 0 HE2 LYS A 148 12.952 9.290 -14.348 1.00 0.00 H new ATOM 0 HE3 LYS A 148 13.778 9.467 -12.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 14.699 7.632 -14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 13.983 7.043 -12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 13.182 6.872 -14.162 1.00 0.00 H new ATOM 232 N LEU A 149 7.244 9.251 -10.029 1.00 0.00 N ATOM 233 CA LEU A 149 5.898 9.715 -9.569 1.00 0.00 C ATOM 234 C LEU A 149 4.910 8.540 -9.549 1.00 0.00 C ATOM 235 O LEU A 149 4.962 7.657 -10.384 1.00 0.00 O ATOM 236 CB LEU A 149 5.385 10.802 -10.528 1.00 0.00 C ATOM 237 CG LEU A 149 4.861 12.014 -9.743 1.00 0.00 C ATOM 238 CD1 LEU A 149 3.736 11.589 -8.795 1.00 0.00 C ATOM 239 CD2 LEU A 149 6.001 12.638 -8.933 1.00 0.00 C ATOM 0 H LEU A 149 7.245 8.374 -10.550 1.00 0.00 H new ATOM 0 HA LEU A 149 5.983 10.120 -8.561 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.188 11.114 -11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.590 10.396 -11.154 1.00 0.00 H new ATOM 0 HG LEU A 149 4.471 12.746 -10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 149 3.375 12.459 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 149 2.917 11.159 -9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 149 4.114 10.847 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 149 5.625 13.497 -8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 149 6.398 11.900 -8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 149 6.793 12.961 -9.609 1.00 0.00 H new ATOM 251 N ALA A 150 4.003 8.536 -8.602 1.00 0.00 N ATOM 252 CA ALA A 150 2.994 7.438 -8.511 1.00 0.00 C ATOM 253 C ALA A 150 1.610 8.058 -8.273 1.00 0.00 C ATOM 254 O ALA A 150 1.451 9.262 -8.365 1.00 0.00 O ATOM 255 CB ALA A 150 3.361 6.511 -7.349 1.00 0.00 C ATOM 0 H ALA A 150 3.919 9.254 -7.882 1.00 0.00 H new ATOM 0 HA ALA A 150 2.979 6.860 -9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.627 5.708 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.350 6.085 -7.521 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.368 7.079 -6.419 1.00 0.00 H new ATOM 261 N PHE A 151 0.609 7.260 -7.975 1.00 0.00 N ATOM 262 CA PHE A 151 -0.760 7.826 -7.737 1.00 0.00 C ATOM 263 C PHE A 151 -1.606 6.854 -6.903 1.00 0.00 C ATOM 264 O PHE A 151 -1.759 5.698 -7.254 1.00 0.00 O ATOM 265 CB PHE A 151 -1.455 8.050 -9.080 1.00 0.00 C ATOM 266 CG PHE A 151 -0.901 9.280 -9.760 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.387 10.548 -9.419 1.00 0.00 C ATOM 268 CD2 PHE A 151 0.095 9.152 -10.736 1.00 0.00 C ATOM 269 CE1 PHE A 151 -0.879 11.686 -10.054 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.604 10.290 -11.371 1.00 0.00 C ATOM 271 CZ PHE A 151 0.117 11.559 -11.030 1.00 0.00 C ATOM 0 H PHE A 151 0.680 6.246 -7.887 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.658 8.768 -7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.314 7.179 -9.719 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.528 8.163 -8.927 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.154 10.647 -8.665 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.471 8.174 -10.999 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -1.255 12.664 -9.791 1.00 0.00 H new ATOM 0 HE2 PHE A 151 1.372 10.191 -12.124 1.00 0.00 H new ATOM 0 HZ PHE A 151 0.509 12.438 -11.519 1.00 0.00 H new ATOM 281 N CYS A 152 -2.155 7.315 -5.801 1.00 0.00 N ATOM 282 CA CYS A 152 -2.992 6.413 -4.941 1.00 0.00 C ATOM 283 C CYS A 152 -4.387 6.206 -5.529 1.00 0.00 C ATOM 284 O CYS A 152 -5.222 7.092 -5.487 1.00 0.00 O ATOM 285 CB CYS A 152 -3.182 7.026 -3.569 1.00 0.00 C ATOM 286 SG CYS A 152 -3.600 5.702 -2.411 1.00 0.00 S ATOM 0 H CYS A 152 -2.060 8.272 -5.461 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.465 5.460 -4.884 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.272 7.536 -3.251 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.975 7.774 -3.593 1.00 0.00 H new ATOM 0 HG CYS A 152 -3.231 4.559 -2.907 1.00 0.00 H new ATOM 291 N ASP A 153 -4.660 5.028 -6.018 1.00 0.00 N ATOM 292 CA ASP A 153 -6.020 4.740 -6.568 1.00 0.00 C ATOM 293 C ASP A 153 -7.065 4.744 -5.428 1.00 0.00 C ATOM 294 O ASP A 153 -8.256 4.739 -5.676 1.00 0.00 O ATOM 295 CB ASP A 153 -6.007 3.365 -7.255 1.00 0.00 C ATOM 296 CG ASP A 153 -6.424 3.511 -8.722 1.00 0.00 C ATOM 297 OD1 ASP A 153 -5.607 3.966 -9.507 1.00 0.00 O ATOM 298 OD2 ASP A 153 -7.552 3.166 -9.035 1.00 0.00 O ATOM 0 H ASP A 153 -4.002 4.250 -6.062 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.287 5.510 -7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.011 2.927 -7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.686 2.685 -6.741 1.00 0.00 H new ATOM 303 N ILE A 154 -6.629 4.741 -4.186 1.00 0.00 N ATOM 304 CA ILE A 154 -7.586 4.735 -3.036 1.00 0.00 C ATOM 305 C ILE A 154 -7.929 6.162 -2.626 1.00 0.00 C ATOM 306 O ILE A 154 -8.990 6.420 -2.085 1.00 0.00 O ATOM 307 CB ILE A 154 -6.908 4.056 -1.837 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.501 2.608 -2.247 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.832 4.092 -0.591 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.554 1.574 -1.816 1.00 0.00 C ATOM 0 H ILE A 154 -5.644 4.742 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.492 4.207 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.004 4.596 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.367 2.561 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.541 2.359 -1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.332 3.606 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.052 5.127 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.762 3.568 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.232 0.578 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.670 1.602 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.508 1.807 -2.289 1.00 0.00 H new ATOM 322 N CYS A 155 -7.017 7.071 -2.816 1.00 0.00 N ATOM 323 CA CYS A 155 -7.262 8.456 -2.367 1.00 0.00 C ATOM 324 C CYS A 155 -7.699 9.350 -3.528 1.00 0.00 C ATOM 325 O CYS A 155 -8.878 9.514 -3.754 1.00 0.00 O ATOM 326 CB CYS A 155 -5.990 8.951 -1.711 1.00 0.00 C ATOM 327 SG CYS A 155 -5.726 7.989 -0.189 1.00 0.00 S ATOM 0 H CYS A 155 -6.115 6.910 -3.263 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.082 8.486 -1.649 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.143 8.834 -2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.069 10.013 -1.481 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.451 7.836 0.012 1.00 0.00 H new ATOM 332 N GLN A 156 -6.774 9.919 -4.268 1.00 0.00 N ATOM 333 CA GLN A 156 -7.151 10.806 -5.425 1.00 0.00 C ATOM 334 C GLN A 156 -5.928 11.553 -5.982 1.00 0.00 C ATOM 335 O GLN A 156 -5.959 12.023 -7.104 1.00 0.00 O ATOM 336 CB GLN A 156 -8.211 11.848 -5.003 1.00 0.00 C ATOM 337 CG GLN A 156 -9.595 11.423 -5.510 1.00 0.00 C ATOM 338 CD GLN A 156 -10.656 11.770 -4.463 1.00 0.00 C ATOM 339 OE1 GLN A 156 -10.449 11.573 -3.282 1.00 0.00 O ATOM 340 NE2 GLN A 156 -11.795 12.281 -4.850 1.00 0.00 N ATOM 0 H GLN A 156 -5.771 9.809 -4.122 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.561 10.156 -6.198 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.226 11.944 -3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -7.952 12.827 -5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.819 11.927 -6.450 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -9.606 10.352 -5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -11.969 12.447 -5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -12.510 12.514 -4.161 1.00 0.00 H new ATOM 349 N LYS A 157 -4.865 11.689 -5.221 1.00 0.00 N ATOM 350 CA LYS A 157 -3.681 12.429 -5.737 1.00 0.00 C ATOM 351 C LYS A 157 -2.466 11.502 -5.780 1.00 0.00 C ATOM 352 O LYS A 157 -2.541 10.353 -5.411 1.00 0.00 O ATOM 353 CB LYS A 157 -3.389 13.616 -4.816 1.00 0.00 C ATOM 354 CG LYS A 157 -4.418 14.721 -5.067 1.00 0.00 C ATOM 355 CD LYS A 157 -5.577 14.574 -4.080 1.00 0.00 C ATOM 356 CE LYS A 157 -5.254 15.340 -2.795 1.00 0.00 C ATOM 357 NZ LYS A 157 -5.941 14.694 -1.641 1.00 0.00 N ATOM 0 H LYS A 157 -4.772 11.321 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.889 12.788 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.426 13.299 -3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.383 13.993 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -3.951 15.699 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.788 14.662 -6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -6.496 14.957 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.746 13.521 -3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -4.177 15.353 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -5.575 16.378 -2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -5.720 15.216 -0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.969 14.703 -1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -5.614 13.711 -1.548 1.00 0.00 H new ATOM 371 N PHE A 158 -1.361 12.015 -6.258 1.00 0.00 N ATOM 372 CA PHE A 158 -0.093 11.225 -6.384 1.00 0.00 C ATOM 373 C PHE A 158 0.162 10.300 -5.168 1.00 0.00 C ATOM 374 O PHE A 158 -0.439 10.439 -4.120 1.00 0.00 O ATOM 375 CB PHE A 158 1.066 12.234 -6.494 1.00 0.00 C ATOM 376 CG PHE A 158 1.271 12.886 -5.144 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.360 13.836 -4.682 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.335 12.481 -4.336 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.514 14.388 -3.411 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.497 13.036 -3.067 1.00 0.00 C ATOM 381 CZ PHE A 158 1.584 13.991 -2.599 1.00 0.00 C ATOM 0 H PHE A 158 -1.281 12.981 -6.577 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.171 10.582 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.978 11.729 -6.812 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.840 12.988 -7.248 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.464 14.144 -5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 158 3.032 11.738 -4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.192 15.122 -3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 158 3.325 12.730 -2.445 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.705 14.420 -1.615 1.00 0.00 H new ATOM 391 N LEU A 159 1.098 9.403 -5.311 1.00 0.00 N ATOM 392 CA LEU A 159 1.479 8.494 -4.192 1.00 0.00 C ATOM 393 C LEU A 159 2.954 8.747 -3.879 1.00 0.00 C ATOM 394 O LEU A 159 3.772 8.866 -4.774 1.00 0.00 O ATOM 395 CB LEU A 159 1.279 7.030 -4.627 1.00 0.00 C ATOM 396 CG LEU A 159 1.091 6.099 -3.416 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.286 6.191 -2.465 1.00 0.00 C ATOM 398 CD2 LEU A 159 -0.183 6.463 -2.661 1.00 0.00 C ATOM 0 H LEU A 159 1.625 9.259 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 159 0.863 8.680 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.409 6.959 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.141 6.702 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 159 1.014 5.078 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 159 2.129 5.524 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 159 3.194 5.900 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.388 7.215 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.303 5.796 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.117 7.493 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -1.041 6.360 -3.325 1.00 0.00 H new ATOM 410 N LEU A 160 3.295 8.859 -2.624 1.00 0.00 N ATOM 411 CA LEU A 160 4.704 9.138 -2.244 1.00 0.00 C ATOM 412 C LEU A 160 5.251 7.993 -1.393 1.00 0.00 C ATOM 413 O LEU A 160 4.620 6.965 -1.241 1.00 0.00 O ATOM 414 CB LEU A 160 4.740 10.432 -1.432 1.00 0.00 C ATOM 415 CG LEU A 160 3.686 10.392 -0.319 1.00 0.00 C ATOM 416 CD1 LEU A 160 4.201 11.157 0.903 1.00 0.00 C ATOM 417 CD2 LEU A 160 2.392 11.042 -0.817 1.00 0.00 C ATOM 0 H LEU A 160 2.649 8.768 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 160 5.315 9.235 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.731 10.570 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.556 11.285 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 160 3.491 9.356 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 160 3.451 11.128 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 160 5.122 10.696 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.397 12.193 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.643 11.014 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 160 2.588 12.078 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.023 10.498 -1.686 1.00 0.00 H new ATOM 429 N ASN A 161 6.429 8.164 -0.835 1.00 0.00 N ATOM 430 CA ASN A 161 7.035 7.090 0.011 1.00 0.00 C ATOM 431 C ASN A 161 6.048 6.660 1.091 1.00 0.00 C ATOM 432 O ASN A 161 5.849 7.346 2.078 1.00 0.00 O ATOM 433 CB ASN A 161 8.318 7.613 0.662 1.00 0.00 C ATOM 434 CG ASN A 161 8.031 8.914 1.421 1.00 0.00 C ATOM 435 OD1 ASN A 161 6.946 9.457 1.345 1.00 0.00 O ATOM 436 ND2 ASN A 161 8.969 9.443 2.158 1.00 0.00 N ATOM 0 H ASN A 161 6.997 9.006 -0.931 1.00 0.00 H new ATOM 0 HA ASN A 161 7.272 6.231 -0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.719 6.865 1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 161 9.077 7.788 -0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 161 8.790 10.308 2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 161 9.881 8.991 2.225 1.00 0.00 H new ATOM 443 N GLY A 162 5.421 5.532 0.899 1.00 0.00 N ATOM 444 CA GLY A 162 4.429 5.047 1.902 1.00 0.00 C ATOM 445 C GLY A 162 4.509 3.526 2.018 1.00 0.00 C ATOM 446 O GLY A 162 5.332 2.997 2.738 1.00 0.00 O ATOM 0 H GLY A 162 5.552 4.924 0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.625 5.505 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.423 5.346 1.606 1.00 0.00 H new ATOM 450 N PHE A 163 3.653 2.824 1.319 1.00 0.00 N ATOM 451 CA PHE A 163 3.670 1.335 1.388 1.00 0.00 C ATOM 452 C PHE A 163 3.189 0.754 0.053 1.00 0.00 C ATOM 453 O PHE A 163 2.063 0.972 -0.364 1.00 0.00 O ATOM 454 CB PHE A 163 2.739 0.871 2.514 1.00 0.00 C ATOM 455 CG PHE A 163 3.548 0.616 3.765 1.00 0.00 C ATOM 456 CD1 PHE A 163 4.229 -0.596 3.918 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.621 1.592 4.767 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.984 -0.837 5.072 1.00 0.00 C ATOM 459 CE2 PHE A 163 4.376 1.352 5.923 1.00 0.00 C ATOM 460 CZ PHE A 163 5.057 0.138 6.075 1.00 0.00 C ATOM 0 H PHE A 163 2.943 3.220 0.703 1.00 0.00 H new ATOM 0 HA PHE A 163 4.685 0.990 1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.980 1.629 2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.215 -0.037 2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 163 4.172 -1.347 3.144 1.00 0.00 H new ATOM 0 HD2 PHE A 163 3.096 2.528 4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 163 5.509 -1.773 5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 163 4.433 2.103 6.697 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.639 -0.047 6.966 1.00 0.00 H new ATOM 470 N ARG A 164 4.044 0.033 -0.631 1.00 0.00 N ATOM 471 CA ARG A 164 3.659 -0.560 -1.952 1.00 0.00 C ATOM 472 C ARG A 164 3.817 -2.086 -1.938 1.00 0.00 C ATOM 473 O ARG A 164 4.441 -2.657 -1.066 1.00 0.00 O ATOM 474 CB ARG A 164 4.549 0.003 -3.074 1.00 0.00 C ATOM 475 CG ARG A 164 5.938 0.393 -2.542 1.00 0.00 C ATOM 476 CD ARG A 164 6.923 0.478 -3.707 1.00 0.00 C ATOM 477 NE ARG A 164 7.130 -0.881 -4.281 1.00 0.00 N ATOM 478 CZ ARG A 164 7.282 -1.029 -5.568 1.00 0.00 C ATOM 479 NH1 ARG A 164 8.046 -0.204 -6.232 1.00 0.00 N ATOM 480 NH2 ARG A 164 6.671 -2.000 -6.193 1.00 0.00 N ATOM 0 H ARG A 164 4.997 -0.172 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 164 2.616 -0.301 -2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.655 -0.740 -3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 164 4.069 0.875 -3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.886 1.351 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.281 -0.343 -1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 164 6.541 1.153 -4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 164 7.873 0.889 -3.365 1.00 0.00 H new ATOM 0 HE ARG A 164 7.153 -1.696 -3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 164 8.523 0.554 -5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 164 8.166 -0.318 -7.238 1.00 0.00 H new ATOM 0 HH21 ARG A 164 6.074 -2.644 -5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 164 6.791 -2.114 -7.199 1.00 0.00 H new ATOM 494 N CYS A 165 3.271 -2.738 -2.937 1.00 0.00 N ATOM 495 CA CYS A 165 3.392 -4.225 -3.049 1.00 0.00 C ATOM 496 C CYS A 165 4.435 -4.529 -4.122 1.00 0.00 C ATOM 497 O CYS A 165 4.302 -4.098 -5.258 1.00 0.00 O ATOM 498 CB CYS A 165 2.042 -4.824 -3.464 1.00 0.00 C ATOM 499 SG CYS A 165 2.157 -6.629 -3.673 1.00 0.00 S ATOM 0 H CYS A 165 2.740 -2.297 -3.688 1.00 0.00 H new ATOM 0 HA CYS A 165 3.688 -4.656 -2.092 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.290 -4.590 -2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.710 -4.368 -4.397 1.00 0.00 H new ATOM 0 HG CYS A 165 3.117 -6.909 -4.503 1.00 0.00 H new ATOM 504 N GLN A 166 5.471 -5.247 -3.760 1.00 0.00 N ATOM 505 CA GLN A 166 6.553 -5.580 -4.727 1.00 0.00 C ATOM 506 C GLN A 166 6.227 -6.869 -5.499 1.00 0.00 C ATOM 507 O GLN A 166 7.017 -7.796 -5.541 1.00 0.00 O ATOM 508 CB GLN A 166 7.866 -5.755 -3.954 1.00 0.00 C ATOM 509 CG GLN A 166 7.740 -6.907 -2.943 1.00 0.00 C ATOM 510 CD GLN A 166 8.373 -6.498 -1.609 1.00 0.00 C ATOM 511 OE1 GLN A 166 8.073 -5.340 -1.087 1.00 0.00 O flip ATOM 512 NE2 GLN A 166 9.146 -7.241 -1.037 1.00 0.00 N flip ATOM 0 H GLN A 166 5.610 -5.620 -2.821 1.00 0.00 H new ATOM 0 HA GLN A 166 6.645 -4.770 -5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 166 8.681 -5.959 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 166 8.115 -4.831 -3.433 1.00 0.00 H new ATOM 0 HG2 GLN A 166 6.690 -7.160 -2.795 1.00 0.00 H new ATOM 0 HG3 GLN A 166 8.232 -7.799 -3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 166 9.380 -8.146 -1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 166 9.561 -6.960 -0.149 1.00 0.00 H new ATOM 521 N THR A 167 5.084 -6.923 -6.128 1.00 0.00 N ATOM 522 CA THR A 167 4.708 -8.128 -6.920 1.00 0.00 C ATOM 523 C THR A 167 3.634 -7.702 -7.926 1.00 0.00 C ATOM 524 O THR A 167 3.730 -7.967 -9.110 1.00 0.00 O ATOM 525 CB THR A 167 4.245 -9.261 -5.964 1.00 0.00 C ATOM 526 OG1 THR A 167 4.833 -10.483 -6.384 1.00 0.00 O ATOM 527 CG2 THR A 167 2.716 -9.433 -5.933 1.00 0.00 C ATOM 0 H THR A 167 4.389 -6.177 -6.127 1.00 0.00 H new ATOM 0 HA THR A 167 5.554 -8.533 -7.476 1.00 0.00 H new ATOM 0 HB THR A 167 4.562 -8.987 -4.958 1.00 0.00 H new ATOM 0 HG1 THR A 167 4.549 -11.205 -5.786 1.00 0.00 H new ATOM 0 HG21 THR A 167 2.454 -10.239 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 167 2.252 -8.506 -5.597 1.00 0.00 H new ATOM 0 HG23 THR A 167 2.357 -9.676 -6.933 1.00 0.00 H new ATOM 535 N CYS A 168 2.630 -7.012 -7.451 1.00 0.00 N ATOM 536 CA CYS A 168 1.559 -6.521 -8.357 1.00 0.00 C ATOM 537 C CYS A 168 1.840 -5.052 -8.704 1.00 0.00 C ATOM 538 O CYS A 168 1.379 -4.547 -9.710 1.00 0.00 O ATOM 539 CB CYS A 168 0.179 -6.657 -7.678 1.00 0.00 C ATOM 540 SG CYS A 168 0.062 -5.596 -6.204 1.00 0.00 S ATOM 0 H CYS A 168 2.509 -6.768 -6.468 1.00 0.00 H new ATOM 0 HA CYS A 168 1.548 -7.117 -9.269 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -0.605 -6.388 -8.386 1.00 0.00 H new ATOM 0 HB3 CYS A 168 0.011 -7.696 -7.395 1.00 0.00 H new ATOM 0 HG CYS A 168 0.791 -6.096 -5.251 1.00 0.00 H new ATOM 545 N GLY A 169 2.585 -4.361 -7.867 1.00 0.00 N ATOM 546 CA GLY A 169 2.882 -2.930 -8.133 1.00 0.00 C ATOM 547 C GLY A 169 1.799 -2.089 -7.473 1.00 0.00 C ATOM 548 O GLY A 169 1.153 -1.279 -8.112 1.00 0.00 O ATOM 0 H GLY A 169 2.996 -4.736 -7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.863 -2.665 -7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.909 -2.741 -9.206 1.00 0.00 H new ATOM 552 N TYR A 170 1.587 -2.285 -6.194 1.00 0.00 N ATOM 553 CA TYR A 170 0.528 -1.499 -5.487 1.00 0.00 C ATOM 554 C TYR A 170 1.156 -0.231 -4.913 1.00 0.00 C ATOM 555 O TYR A 170 2.348 -0.179 -4.678 1.00 0.00 O ATOM 556 CB TYR A 170 -0.090 -2.344 -4.363 1.00 0.00 C ATOM 557 CG TYR A 170 -1.587 -2.103 -4.270 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.385 -2.113 -5.424 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.176 -1.882 -3.020 1.00 0.00 C ATOM 560 CE1 TYR A 170 -3.765 -1.900 -5.324 1.00 0.00 C ATOM 561 CE2 TYR A 170 -3.556 -1.668 -2.921 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.351 -1.677 -4.073 1.00 0.00 C ATOM 563 OH TYR A 170 -5.711 -1.467 -3.976 1.00 0.00 O ATOM 0 H TYR A 170 2.097 -2.950 -5.613 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.262 -1.229 -6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 170 0.102 -3.401 -4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 170 0.383 -2.096 -3.413 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -1.934 -2.285 -6.390 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -1.565 -1.877 -2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.378 -1.908 -6.213 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.007 -1.496 -1.955 1.00 0.00 H new ATOM 0 HH TYR A 170 -5.955 -1.330 -3.037 1.00 0.00 H new ATOM 573 N LYS A 171 0.370 0.801 -4.710 1.00 0.00 N ATOM 574 CA LYS A 171 0.933 2.074 -4.177 1.00 0.00 C ATOM 575 C LYS A 171 -0.132 2.766 -3.324 1.00 0.00 C ATOM 576 O LYS A 171 -1.186 3.116 -3.828 1.00 0.00 O ATOM 577 CB LYS A 171 1.332 2.958 -5.375 1.00 0.00 C ATOM 578 CG LYS A 171 0.097 3.304 -6.219 1.00 0.00 C ATOM 579 CD LYS A 171 0.507 3.459 -7.686 1.00 0.00 C ATOM 580 CE LYS A 171 0.695 2.077 -8.313 1.00 0.00 C ATOM 581 NZ LYS A 171 1.005 2.230 -9.762 1.00 0.00 N ATOM 0 H LYS A 171 -0.634 0.813 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 171 1.810 1.889 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.805 3.873 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.067 2.438 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.654 2.520 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.356 4.227 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 171 -0.255 4.016 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 171 1.432 4.031 -7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 171 1.503 1.544 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -0.208 1.481 -8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 1.133 1.291 -10.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 0.220 2.722 -10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 1.878 2.784 -9.874 1.00 0.00 H new ATOM 595 N PHE A 172 0.098 2.955 -2.036 1.00 0.00 N ATOM 596 CA PHE A 172 -0.969 3.608 -1.219 1.00 0.00 C ATOM 597 C PHE A 172 -0.469 4.082 0.170 1.00 0.00 C ATOM 598 O PHE A 172 0.469 3.553 0.732 1.00 0.00 O ATOM 599 CB PHE A 172 -2.141 2.623 -1.123 1.00 0.00 C ATOM 600 CG PHE A 172 -1.888 1.525 -0.111 1.00 0.00 C ATOM 601 CD1 PHE A 172 -1.992 1.790 1.255 1.00 0.00 C ATOM 602 CD2 PHE A 172 -1.582 0.238 -0.550 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.788 0.773 2.188 1.00 0.00 C ATOM 604 CE2 PHE A 172 -1.376 -0.785 0.379 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.479 -0.520 1.751 1.00 0.00 C ATOM 0 H PHE A 172 0.948 2.694 -1.537 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.293 4.527 -1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.046 3.165 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.320 2.178 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.232 2.788 1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.504 0.032 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.868 0.983 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -1.137 -1.782 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.320 -1.311 2.469 1.00 0.00 H new ATOM 615 N HIS A 173 -1.098 5.121 0.686 1.00 0.00 N ATOM 616 CA HIS A 173 -0.704 5.732 2.014 1.00 0.00 C ATOM 617 C HIS A 173 -1.340 4.965 3.226 1.00 0.00 C ATOM 618 O HIS A 173 -1.326 3.754 3.261 1.00 0.00 O ATOM 619 CB HIS A 173 -1.140 7.216 2.057 1.00 0.00 C ATOM 620 CG HIS A 173 -1.249 7.833 0.716 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.445 7.817 -0.009 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.368 8.572 0.010 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.215 8.568 -1.093 1.00 0.00 C ATOM 624 NE2 HIS A 173 -0.966 9.041 -1.122 1.00 0.00 N ATOM 0 H HIS A 173 -1.887 5.584 0.234 1.00 0.00 H new ATOM 0 HA HIS A 173 0.380 5.656 2.102 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.103 7.290 2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.423 7.781 2.652 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.655 8.763 0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -2.953 8.768 -1.855 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.547 9.630 -1.841 1.00 0.00 H new ATOM 632 N GLU A 174 -1.859 5.662 4.245 1.00 0.00 N ATOM 633 CA GLU A 174 -2.448 4.970 5.440 1.00 0.00 C ATOM 634 C GLU A 174 -3.971 4.782 5.287 1.00 0.00 C ATOM 635 O GLU A 174 -4.563 3.955 5.953 1.00 0.00 O ATOM 636 CB GLU A 174 -2.172 5.808 6.690 1.00 0.00 C ATOM 637 CG GLU A 174 -0.801 5.445 7.260 1.00 0.00 C ATOM 638 CD GLU A 174 -0.825 5.591 8.782 1.00 0.00 C ATOM 639 OE1 GLU A 174 -0.679 6.706 9.252 1.00 0.00 O ATOM 640 OE2 GLU A 174 -0.989 4.584 9.452 1.00 0.00 O ATOM 0 H GLU A 174 -1.892 6.681 4.285 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.988 3.986 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.205 6.869 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -2.946 5.631 7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -0.541 4.422 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -0.035 6.093 6.834 1.00 0.00 H new ATOM 647 N HIS A 175 -4.609 5.518 4.401 1.00 0.00 N ATOM 648 CA HIS A 175 -6.093 5.352 4.187 1.00 0.00 C ATOM 649 C HIS A 175 -6.330 4.232 3.180 1.00 0.00 C ATOM 650 O HIS A 175 -7.309 4.245 2.449 1.00 0.00 O ATOM 651 CB HIS A 175 -6.652 6.619 3.542 1.00 0.00 C ATOM 652 CG HIS A 175 -6.860 7.682 4.584 1.00 0.00 C ATOM 653 ND1 HIS A 175 -8.085 7.847 5.253 1.00 0.00 N ATOM 654 CD2 HIS A 175 -6.023 8.644 5.088 1.00 0.00 C ATOM 655 CE1 HIS A 175 -7.922 8.872 6.107 1.00 0.00 C ATOM 656 NE2 HIS A 175 -6.686 9.382 6.037 1.00 0.00 N ATOM 0 H HIS A 175 -4.168 6.227 3.816 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.565 5.143 5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.965 6.979 2.776 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.596 6.397 3.045 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -4.998 8.798 4.785 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -8.693 9.239 6.768 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -6.313 10.161 6.579 1.00 0.00 H new ATOM 664 N CYS A 176 -5.398 3.336 3.045 1.00 0.00 N ATOM 665 CA CYS A 176 -5.514 2.326 1.995 1.00 0.00 C ATOM 666 C CYS A 176 -4.786 1.044 2.406 1.00 0.00 C ATOM 667 O CYS A 176 -4.385 0.256 1.570 1.00 0.00 O ATOM 668 CB CYS A 176 -4.898 2.938 0.715 1.00 0.00 C ATOM 669 SG CYS A 176 -4.075 4.578 1.028 1.00 0.00 S ATOM 0 H CYS A 176 -4.562 3.269 3.625 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.555 2.054 1.821 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.168 2.243 0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.679 3.065 -0.034 1.00 0.00 H new ATOM 0 HG CYS A 176 -3.814 5.156 -0.107 1.00 0.00 H new ATOM 674 N SER A 177 -4.635 0.820 3.689 1.00 0.00 N ATOM 675 CA SER A 177 -3.951 -0.416 4.167 1.00 0.00 C ATOM 676 C SER A 177 -5.005 -1.452 4.564 1.00 0.00 C ATOM 677 O SER A 177 -4.860 -2.631 4.300 1.00 0.00 O ATOM 678 CB SER A 177 -3.081 -0.084 5.384 1.00 0.00 C ATOM 679 OG SER A 177 -2.673 1.277 5.315 1.00 0.00 O ATOM 0 H SER A 177 -4.959 1.445 4.427 1.00 0.00 H new ATOM 0 HA SER A 177 -3.322 -0.816 3.372 1.00 0.00 H new ATOM 0 HB2 SER A 177 -3.639 -0.262 6.303 1.00 0.00 H new ATOM 0 HB3 SER A 177 -2.208 -0.736 5.410 1.00 0.00 H new ATOM 0 HG SER A 177 -2.118 1.492 6.093 1.00 0.00 H new ATOM 685 N THR A 178 -6.065 -1.014 5.197 1.00 0.00 N ATOM 686 CA THR A 178 -7.140 -1.961 5.617 1.00 0.00 C ATOM 687 C THR A 178 -8.317 -1.863 4.642 1.00 0.00 C ATOM 688 O THR A 178 -9.048 -2.816 4.444 1.00 0.00 O ATOM 689 CB THR A 178 -7.614 -1.604 7.029 1.00 0.00 C ATOM 690 OG1 THR A 178 -8.738 -2.404 7.367 1.00 0.00 O ATOM 691 CG2 THR A 178 -8.004 -0.125 7.082 1.00 0.00 C ATOM 0 H THR A 178 -6.231 -0.038 5.441 1.00 0.00 H new ATOM 0 HA THR A 178 -6.749 -2.978 5.613 1.00 0.00 H new ATOM 0 HB THR A 178 -6.808 -1.790 7.739 1.00 0.00 H new ATOM 0 HG1 THR A 178 -9.041 -2.177 8.271 1.00 0.00 H new ATOM 0 HG21 THR A 178 -8.341 0.127 8.088 1.00 0.00 H new ATOM 0 HG22 THR A 178 -7.141 0.488 6.824 1.00 0.00 H new ATOM 0 HG23 THR A 178 -8.809 0.065 6.372 1.00 0.00 H new ATOM 699 N LYS A 179 -8.504 -0.717 4.032 1.00 0.00 N ATOM 700 CA LYS A 179 -9.630 -0.548 3.066 1.00 0.00 C ATOM 701 C LYS A 179 -9.490 -1.551 1.913 1.00 0.00 C ATOM 702 O LYS A 179 -10.454 -1.871 1.244 1.00 0.00 O ATOM 703 CB LYS A 179 -9.610 0.876 2.506 1.00 0.00 C ATOM 704 CG LYS A 179 -10.556 1.761 3.323 1.00 0.00 C ATOM 705 CD LYS A 179 -11.933 1.786 2.656 1.00 0.00 C ATOM 706 CE LYS A 179 -13.016 1.951 3.726 1.00 0.00 C ATOM 707 NZ LYS A 179 -14.288 2.382 3.079 1.00 0.00 N ATOM 0 H LYS A 179 -7.922 0.110 4.164 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.573 -0.728 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -8.597 1.278 2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -9.914 0.871 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -10.640 1.380 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -10.156 2.772 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -11.987 2.606 1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -12.095 0.864 2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -13.165 1.011 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -12.703 2.688 4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -15.025 2.495 3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -14.140 3.289 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -14.588 1.663 2.389 1.00 0.00 H new ATOM 721 N VAL A 180 -8.298 -2.053 1.679 1.00 0.00 N ATOM 722 CA VAL A 180 -8.097 -3.037 0.574 1.00 0.00 C ATOM 723 C VAL A 180 -8.982 -4.281 0.835 1.00 0.00 C ATOM 724 O VAL A 180 -8.747 -4.990 1.792 1.00 0.00 O ATOM 725 CB VAL A 180 -6.622 -3.452 0.535 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.381 -4.396 -0.645 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.745 -2.208 0.369 1.00 0.00 C ATOM 0 H VAL A 180 -7.458 -1.821 2.208 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.374 -2.589 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.369 -3.960 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.331 -4.688 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -7.003 -5.284 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.637 -3.889 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.696 -2.503 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -6.004 -1.702 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -5.910 -1.532 1.208 1.00 0.00 H new