USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=10 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 30:sc= -0.919 USER MOD Set 1.2: A 155 CYS SG : rot 140:sc= 1.01 USER MOD Set 1.3: A 173 HIS : no HD1:sc= -7.58! C(o=-8.7!,f=-12!) USER MOD Set 1.4: A 176 CYS SG : rot -171:sc= -1.25 USER MOD Set 2.1: A 139 HIS : no HD1:sc= -4.24 K(o=-6.5,f=-4.9) USER MOD Set 2.2: A 165 CYS SG : rot 158:sc= -1.95 USER MOD Set 2.3: A 168 CYS SG : rot -60:sc= -0.294 USER MOD Single : A 140 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.996 X(o=-1,f=-1.3) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 ASN : amide:sc= -7.61! C(o=-7.6!,f=-15!) USER MOD Single : A 166 GLN : amide:sc= 0 X(o=0,f=-0.076) 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= -0.201 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 -1.056 -10.663 -1.781 1.00 0.00 N ATOM 51 CA HIS A 139 -0.752 -9.214 -1.996 1.00 0.00 C ATOM 52 C HIS A 139 0.607 -8.931 -1.338 1.00 0.00 C ATOM 53 O HIS A 139 1.280 -9.844 -0.898 1.00 0.00 O ATOM 54 CB HIS A 139 -1.848 -8.391 -1.305 1.00 0.00 C ATOM 55 CG HIS A 139 -2.029 -7.020 -1.923 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.577 -6.665 -3.220 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.660 -5.902 -1.433 1.00 0.00 C ATOM 58 CE1 HIS A 139 -1.964 -5.389 -3.408 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.614 -4.900 -2.356 1.00 0.00 N ATOM 0 HA HIS A 139 -0.718 -8.957 -3.055 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.791 -8.935 -1.356 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -1.601 -8.279 -0.249 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -3.124 -5.828 -0.460 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.769 -4.827 -4.310 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -3.001 -3.961 -2.259 1.00 0.00 H new ATOM 67 N ASN A 140 1.010 -7.689 -1.248 1.00 0.00 N ATOM 68 CA ASN A 140 2.321 -7.371 -0.596 1.00 0.00 C ATOM 69 C ASN A 140 2.296 -5.928 -0.095 1.00 0.00 C ATOM 70 O ASN A 140 1.632 -5.079 -0.660 1.00 0.00 O ATOM 71 CB ASN A 140 3.465 -7.553 -1.597 1.00 0.00 C ATOM 72 CG ASN A 140 4.693 -8.117 -0.877 1.00 0.00 C ATOM 73 OD1 ASN A 140 5.280 -7.456 -0.044 1.00 0.00 O ATOM 74 ND2 ASN A 140 5.108 -9.320 -1.167 1.00 0.00 N ATOM 0 H ASN A 140 0.491 -6.882 -1.596 1.00 0.00 H new ATOM 0 HA ASN A 140 2.480 -8.048 0.244 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.158 -8.227 -2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 140 3.710 -6.598 -2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 140 5.925 -9.705 -0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 140 4.615 -9.875 -1.867 1.00 0.00 H new ATOM 81 N PHE A 141 3.004 -5.647 0.972 1.00 0.00 N ATOM 82 CA PHE A 141 3.006 -4.257 1.527 1.00 0.00 C ATOM 83 C PHE A 141 4.357 -3.980 2.192 1.00 0.00 C ATOM 84 O PHE A 141 4.585 -4.355 3.328 1.00 0.00 O ATOM 85 CB PHE A 141 1.887 -4.097 2.578 1.00 0.00 C ATOM 86 CG PHE A 141 0.652 -4.888 2.180 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.623 -6.276 2.367 1.00 0.00 C ATOM 88 CD2 PHE A 141 -0.455 -4.236 1.625 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.508 -7.009 2.003 1.00 0.00 C ATOM 90 CE2 PHE A 141 -1.587 -4.972 1.261 1.00 0.00 C ATOM 91 CZ PHE A 141 -1.614 -6.360 1.450 1.00 0.00 C ATOM 0 H PHE A 141 3.579 -6.318 1.481 1.00 0.00 H new ATOM 0 HA PHE A 141 2.835 -3.553 0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 141 2.244 -4.437 3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.630 -3.043 2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.477 -6.780 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.435 -3.166 1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.528 -8.079 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.442 -4.470 0.833 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.489 -6.927 1.168 1.00 0.00 H new ATOM 101 N ALA A 142 5.251 -3.327 1.495 1.00 0.00 N ATOM 102 CA ALA A 142 6.590 -3.024 2.083 1.00 0.00 C ATOM 103 C ALA A 142 6.801 -1.508 2.129 1.00 0.00 C ATOM 104 O ALA A 142 6.667 -0.825 1.130 1.00 0.00 O ATOM 105 CB ALA A 142 7.685 -3.663 1.225 1.00 0.00 C ATOM 0 H ALA A 142 5.111 -2.990 0.542 1.00 0.00 H new ATOM 0 HA ALA A 142 6.638 -3.428 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 142 8.661 -3.441 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 142 7.539 -4.743 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.635 -3.261 0.213 1.00 0.00 H new ATOM 111 N ARG A 143 7.132 -0.980 3.281 1.00 0.00 N ATOM 112 CA ARG A 143 7.358 0.491 3.399 1.00 0.00 C ATOM 113 C ARG A 143 8.561 0.886 2.541 1.00 0.00 C ATOM 114 O ARG A 143 9.650 0.375 2.718 1.00 0.00 O ATOM 115 CB ARG A 143 7.643 0.853 4.859 1.00 0.00 C ATOM 116 CG ARG A 143 7.600 2.374 5.029 1.00 0.00 C ATOM 117 CD ARG A 143 8.649 2.804 6.056 1.00 0.00 C ATOM 118 NE ARG A 143 8.319 2.212 7.383 1.00 0.00 N ATOM 119 CZ ARG A 143 8.768 1.027 7.698 1.00 0.00 C ATOM 120 NH1 ARG A 143 10.054 0.816 7.776 1.00 0.00 N ATOM 121 NH2 ARG A 143 7.932 0.054 7.934 1.00 0.00 N ATOM 0 H ARG A 143 7.255 -1.506 4.146 1.00 0.00 H new ATOM 0 HA ARG A 143 6.469 1.022 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 143 6.907 0.383 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 143 8.620 0.471 5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 143 7.790 2.863 4.073 1.00 0.00 H new ATOM 0 HG3 ARG A 143 6.608 2.686 5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 143 9.639 2.479 5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 143 8.678 3.891 6.128 1.00 0.00 H new ATOM 0 HE ARG A 143 7.743 2.732 8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 143 10.708 1.577 7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 143 10.405 -0.110 8.022 1.00 0.00 H new ATOM 0 HH21 ARG A 143 6.927 0.219 7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 143 8.283 -0.872 8.180 1.00 0.00 H new ATOM 135 N LYS A 144 8.369 1.788 1.613 1.00 0.00 N ATOM 136 CA LYS A 144 9.499 2.215 0.739 1.00 0.00 C ATOM 137 C LYS A 144 9.061 3.401 -0.125 1.00 0.00 C ATOM 138 O LYS A 144 7.883 3.657 -0.290 1.00 0.00 O ATOM 139 CB LYS A 144 9.916 1.049 -0.163 1.00 0.00 C ATOM 140 CG LYS A 144 8.706 0.561 -0.966 1.00 0.00 C ATOM 141 CD LYS A 144 8.803 -0.952 -1.167 1.00 0.00 C ATOM 142 CE LYS A 144 9.857 -1.259 -2.231 1.00 0.00 C ATOM 143 NZ LYS A 144 10.537 -2.542 -1.900 1.00 0.00 N ATOM 0 H LYS A 144 7.478 2.247 1.424 1.00 0.00 H new ATOM 0 HA LYS A 144 10.344 2.514 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 144 10.710 1.365 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.317 0.235 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 144 7.784 0.810 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.670 1.065 -1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 144 9.067 -1.438 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 144 7.836 -1.352 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 144 9.389 -1.326 -3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 144 10.586 -0.450 -2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 11.254 -2.751 -2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.996 -2.462 -0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 9.836 -3.310 -1.875 1.00 0.00 H new ATOM 157 N THR A 145 10.003 4.121 -0.674 1.00 0.00 N ATOM 158 CA THR A 145 9.658 5.291 -1.533 1.00 0.00 C ATOM 159 C THR A 145 9.701 4.860 -3.002 1.00 0.00 C ATOM 160 O THR A 145 10.386 3.920 -3.359 1.00 0.00 O ATOM 161 CB THR A 145 10.675 6.432 -1.305 1.00 0.00 C ATOM 162 OG1 THR A 145 11.683 6.006 -0.397 1.00 0.00 O ATOM 163 CG2 THR A 145 9.970 7.664 -0.731 1.00 0.00 C ATOM 0 H THR A 145 11.002 3.948 -0.564 1.00 0.00 H new ATOM 0 HA THR A 145 8.660 5.647 -1.276 1.00 0.00 H new ATOM 0 HB THR A 145 11.128 6.690 -2.262 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.326 6.733 -0.257 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.698 8.460 -0.575 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.205 8.003 -1.429 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.505 7.407 0.220 1.00 0.00 H new ATOM 171 N PHE A 146 8.975 5.540 -3.849 1.00 0.00 N ATOM 172 CA PHE A 146 8.970 5.171 -5.301 1.00 0.00 C ATOM 173 C PHE A 146 10.032 5.995 -6.030 1.00 0.00 C ATOM 174 O PHE A 146 10.356 7.098 -5.629 1.00 0.00 O ATOM 175 CB PHE A 146 7.595 5.461 -5.930 1.00 0.00 C ATOM 176 CG PHE A 146 6.489 5.149 -4.947 1.00 0.00 C ATOM 177 CD1 PHE A 146 6.447 3.906 -4.305 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.514 6.112 -4.672 1.00 0.00 C ATOM 179 CE1 PHE A 146 5.430 3.628 -3.386 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.499 5.833 -3.753 1.00 0.00 C ATOM 181 CZ PHE A 146 4.457 4.591 -3.111 1.00 0.00 C ATOM 0 H PHE A 146 8.385 6.334 -3.602 1.00 0.00 H new ATOM 0 HA PHE A 146 9.184 4.106 -5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.539 6.507 -6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.467 4.863 -6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 146 7.200 3.162 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.545 7.070 -5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.397 2.669 -2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.746 6.577 -3.538 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.671 4.377 -2.402 1.00 0.00 H new ATOM 191 N LEU A 147 10.571 5.470 -7.101 1.00 0.00 N ATOM 192 CA LEU A 147 11.607 6.224 -7.868 1.00 0.00 C ATOM 193 C LEU A 147 10.951 6.925 -9.062 1.00 0.00 C ATOM 194 O LEU A 147 11.595 7.209 -10.054 1.00 0.00 O ATOM 195 CB LEU A 147 12.679 5.254 -8.375 1.00 0.00 C ATOM 196 CG LEU A 147 12.015 4.096 -9.140 1.00 0.00 C ATOM 197 CD1 LEU A 147 12.711 3.898 -10.488 1.00 0.00 C ATOM 198 CD2 LEU A 147 12.128 2.804 -8.321 1.00 0.00 C ATOM 0 H LEU A 147 10.338 4.551 -7.477 1.00 0.00 H new ATOM 0 HA LEU A 147 12.068 6.967 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 147 13.378 5.778 -9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 147 13.256 4.864 -7.536 1.00 0.00 H new ATOM 0 HG LEU A 147 10.964 4.336 -9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 147 12.237 3.077 -11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 147 12.630 4.812 -11.077 1.00 0.00 H new ATOM 0 HD13 LEU A 147 13.763 3.664 -10.324 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.657 1.986 -8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 147 13.179 2.570 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.628 2.937 -7.361 1.00 0.00 H new ATOM 210 N LYS A 148 9.673 7.205 -8.972 1.00 0.00 N ATOM 211 CA LYS A 148 8.967 7.888 -10.093 1.00 0.00 C ATOM 212 C LYS A 148 7.618 8.406 -9.591 1.00 0.00 C ATOM 213 O LYS A 148 7.203 8.105 -8.488 1.00 0.00 O ATOM 214 CB LYS A 148 8.740 6.893 -11.237 1.00 0.00 C ATOM 215 CG LYS A 148 9.836 7.063 -12.290 1.00 0.00 C ATOM 216 CD LYS A 148 9.339 6.533 -13.635 1.00 0.00 C ATOM 217 CE LYS A 148 9.762 5.071 -13.799 1.00 0.00 C ATOM 218 NZ LYS A 148 8.741 4.344 -14.605 1.00 0.00 N ATOM 0 H LYS A 148 9.089 6.987 -8.165 1.00 0.00 H new ATOM 0 HA LYS A 148 9.570 8.721 -10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.747 5.873 -10.852 1.00 0.00 H new ATOM 0 HB3 LYS A 148 7.761 7.058 -11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 148 10.108 8.115 -12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.734 6.526 -11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 148 8.254 6.617 -13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 148 9.748 7.134 -14.448 1.00 0.00 H new ATOM 0 HE2 LYS A 148 10.734 5.016 -14.289 1.00 0.00 H new ATOM 0 HE3 LYS A 148 9.871 4.601 -12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 9.029 3.351 -14.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 7.822 4.386 -14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 8.659 4.787 -15.542 1.00 0.00 H new ATOM 232 N LEU A 149 6.933 9.183 -10.391 1.00 0.00 N ATOM 233 CA LEU A 149 5.610 9.724 -9.963 1.00 0.00 C ATOM 234 C LEU A 149 4.602 8.577 -9.845 1.00 0.00 C ATOM 235 O LEU A 149 4.383 7.831 -10.781 1.00 0.00 O ATOM 236 CB LEU A 149 5.113 10.743 -10.995 1.00 0.00 C ATOM 237 CG LEU A 149 4.434 11.929 -10.294 1.00 0.00 C ATOM 238 CD1 LEU A 149 3.244 11.439 -9.463 1.00 0.00 C ATOM 239 CD2 LEU A 149 5.436 12.641 -9.379 1.00 0.00 C ATOM 0 H LEU A 149 7.234 9.466 -11.323 1.00 0.00 H new ATOM 0 HA LEU A 149 5.715 10.214 -8.995 1.00 0.00 H new ATOM 0 HB2 LEU A 149 5.950 11.099 -11.596 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.410 10.265 -11.678 1.00 0.00 H new ATOM 0 HG LEU A 149 4.079 12.626 -11.053 1.00 0.00 H new ATOM 0 HD11 LEU A 149 2.770 12.288 -8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 149 2.522 10.949 -10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 149 3.592 10.731 -8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 149 4.946 13.481 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 149 5.802 11.942 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 149 6.274 13.007 -9.972 1.00 0.00 H new ATOM 251 N ALA A 150 3.984 8.442 -8.699 1.00 0.00 N ATOM 252 CA ALA A 150 2.982 7.354 -8.503 1.00 0.00 C ATOM 253 C ALA A 150 1.626 7.986 -8.181 1.00 0.00 C ATOM 254 O ALA A 150 1.478 9.191 -8.221 1.00 0.00 O ATOM 255 CB ALA A 150 3.422 6.457 -7.342 1.00 0.00 C ATOM 0 H ALA A 150 4.132 9.042 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 150 2.903 6.752 -9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.690 5.662 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.394 6.019 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.496 7.051 -6.431 1.00 0.00 H new ATOM 261 N PHE A 151 0.634 7.185 -7.873 1.00 0.00 N ATOM 262 CA PHE A 151 -0.718 7.741 -7.549 1.00 0.00 C ATOM 263 C PHE A 151 -1.495 6.734 -6.700 1.00 0.00 C ATOM 264 O PHE A 151 -1.511 5.552 -6.990 1.00 0.00 O ATOM 265 CB PHE A 151 -1.515 7.997 -8.834 1.00 0.00 C ATOM 266 CG PHE A 151 -0.707 8.789 -9.837 1.00 0.00 C ATOM 267 CD1 PHE A 151 0.126 8.122 -10.744 1.00 0.00 C ATOM 268 CD2 PHE A 151 -0.801 10.187 -9.872 1.00 0.00 C ATOM 269 CE1 PHE A 151 0.868 8.851 -11.682 1.00 0.00 C ATOM 270 CE2 PHE A 151 -0.061 10.916 -10.812 1.00 0.00 C ATOM 271 CZ PHE A 151 0.774 10.248 -11.716 1.00 0.00 C ATOM 0 H PHE A 151 0.703 6.168 -7.832 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.583 8.677 -7.007 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.813 7.046 -9.275 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.431 8.538 -8.594 1.00 0.00 H new ATOM 0 HD1 PHE A 151 0.196 7.045 -10.720 1.00 0.00 H new ATOM 0 HD2 PHE A 151 -1.444 10.702 -9.174 1.00 0.00 H new ATOM 0 HE1 PHE A 151 1.513 8.336 -12.379 1.00 0.00 H new ATOM 0 HE2 PHE A 151 -0.135 11.993 -10.839 1.00 0.00 H new ATOM 0 HZ PHE A 151 1.346 10.810 -12.440 1.00 0.00 H new ATOM 281 N CYS A 152 -2.138 7.192 -5.656 1.00 0.00 N ATOM 282 CA CYS A 152 -2.919 6.260 -4.782 1.00 0.00 C ATOM 283 C CYS A 152 -4.316 6.000 -5.360 1.00 0.00 C ATOM 284 O CYS A 152 -5.162 6.877 -5.388 1.00 0.00 O ATOM 285 CB CYS A 152 -3.081 6.881 -3.405 1.00 0.00 C ATOM 286 SG CYS A 152 -3.786 5.652 -2.285 1.00 0.00 S ATOM 0 H CYS A 152 -2.157 8.171 -5.370 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.376 5.317 -4.723 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.116 7.222 -3.030 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.729 7.756 -3.460 1.00 0.00 H new ATOM 0 HG CYS A 152 -3.416 4.463 -2.657 1.00 0.00 H new ATOM 291 N ASP A 153 -4.570 4.790 -5.787 1.00 0.00 N ATOM 292 CA ASP A 153 -5.920 4.451 -6.344 1.00 0.00 C ATOM 293 C ASP A 153 -7.009 4.542 -5.252 1.00 0.00 C ATOM 294 O ASP A 153 -8.188 4.556 -5.550 1.00 0.00 O ATOM 295 CB ASP A 153 -5.890 3.028 -6.906 1.00 0.00 C ATOM 296 CG ASP A 153 -5.133 3.022 -8.236 1.00 0.00 C ATOM 297 OD1 ASP A 153 -5.509 3.782 -9.113 1.00 0.00 O ATOM 298 OD2 ASP A 153 -4.192 2.256 -8.354 1.00 0.00 O ATOM 0 H ASP A 153 -3.902 4.019 -5.775 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.158 5.166 -7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.407 2.355 -6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.906 2.661 -7.052 1.00 0.00 H new ATOM 303 N ILE A 154 -6.627 4.598 -3.997 1.00 0.00 N ATOM 304 CA ILE A 154 -7.637 4.684 -2.886 1.00 0.00 C ATOM 305 C ILE A 154 -8.018 6.140 -2.657 1.00 0.00 C ATOM 306 O ILE A 154 -9.120 6.443 -2.234 1.00 0.00 O ATOM 307 CB ILE A 154 -7.013 4.130 -1.591 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.670 2.626 -1.819 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.955 4.356 -0.377 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.774 1.695 -1.290 1.00 0.00 C ATOM 0 H ILE A 154 -5.654 4.588 -3.691 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.521 4.107 -3.156 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.093 4.664 -1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.523 2.445 -2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.729 2.390 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.490 3.956 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.134 5.424 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.903 3.848 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.492 0.658 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.903 1.855 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.710 1.911 -1.805 1.00 0.00 H new ATOM 322 N CYS A 155 -7.101 7.032 -2.881 1.00 0.00 N ATOM 323 CA CYS A 155 -7.380 8.456 -2.622 1.00 0.00 C ATOM 324 C CYS A 155 -7.806 9.169 -3.906 1.00 0.00 C ATOM 325 O CYS A 155 -8.982 9.234 -4.195 1.00 0.00 O ATOM 326 CB CYS A 155 -6.138 9.057 -2.006 1.00 0.00 C ATOM 327 SG CYS A 155 -5.893 8.282 -0.379 1.00 0.00 S ATOM 0 H CYS A 155 -6.166 6.830 -3.235 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.214 8.572 -1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.272 8.884 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.247 10.137 -1.902 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.627 8.052 -0.194 1.00 0.00 H new ATOM 332 N GLN A 156 -6.880 9.687 -4.685 1.00 0.00 N ATOM 333 CA GLN A 156 -7.262 10.389 -5.970 1.00 0.00 C ATOM 334 C GLN A 156 -6.076 11.150 -6.587 1.00 0.00 C ATOM 335 O GLN A 156 -6.117 11.490 -7.756 1.00 0.00 O ATOM 336 CB GLN A 156 -8.415 11.392 -5.738 1.00 0.00 C ATOM 337 CG GLN A 156 -9.741 10.794 -6.237 1.00 0.00 C ATOM 338 CD GLN A 156 -10.836 11.010 -5.188 1.00 0.00 C ATOM 339 OE1 GLN A 156 -10.898 12.047 -4.561 1.00 0.00 O ATOM 340 NE2 GLN A 156 -11.708 10.062 -4.971 1.00 0.00 N ATOM 0 H GLN A 156 -5.879 9.657 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.581 9.607 -6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.491 11.632 -4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.207 12.325 -6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -10.030 11.261 -7.179 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -9.619 9.729 -6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -11.656 9.190 -5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -12.441 10.193 -4.274 1.00 0.00 H new ATOM 349 N LYS A 157 -5.032 11.439 -5.840 1.00 0.00 N ATOM 350 CA LYS A 157 -3.893 12.194 -6.435 1.00 0.00 C ATOM 351 C LYS A 157 -2.638 11.347 -6.365 1.00 0.00 C ATOM 352 O LYS A 157 -2.679 10.191 -6.005 1.00 0.00 O ATOM 353 CB LYS A 157 -3.679 13.491 -5.651 1.00 0.00 C ATOM 354 CG LYS A 157 -4.945 14.355 -5.728 1.00 0.00 C ATOM 355 CD LYS A 157 -5.278 14.909 -4.340 1.00 0.00 C ATOM 356 CE LYS A 157 -5.938 13.814 -3.500 1.00 0.00 C ATOM 357 NZ LYS A 157 -6.408 14.394 -2.210 1.00 0.00 N ATOM 0 H LYS A 157 -4.925 11.186 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.114 12.431 -7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.444 13.264 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.828 14.038 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.795 15.175 -6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.779 13.762 -6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -4.370 15.261 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.945 15.766 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -6.777 13.380 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -5.229 13.008 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -6.857 13.650 -1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -5.598 14.788 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -7.098 15.149 -2.400 1.00 0.00 H new ATOM 371 N PHE A 158 -1.521 11.922 -6.716 1.00 0.00 N ATOM 372 CA PHE A 158 -0.228 11.182 -6.689 1.00 0.00 C ATOM 373 C PHE A 158 -0.053 10.450 -5.339 1.00 0.00 C ATOM 374 O PHE A 158 -0.762 10.715 -4.387 1.00 0.00 O ATOM 375 CB PHE A 158 0.904 12.217 -6.856 1.00 0.00 C ATOM 376 CG PHE A 158 1.087 12.935 -5.538 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.161 13.895 -5.136 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.133 12.564 -4.690 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.287 14.502 -3.887 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.257 13.161 -3.438 1.00 0.00 C ATOM 381 CZ PHE A 158 1.334 14.134 -3.032 1.00 0.00 C ATOM 0 H PHE A 158 -1.449 12.891 -7.026 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.206 10.440 -7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.830 11.723 -7.151 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.656 12.927 -7.645 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.653 14.169 -5.791 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.845 11.815 -5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.422 15.256 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 158 3.064 12.874 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.430 14.599 -2.062 1.00 0.00 H new ATOM 391 N LEU A 159 0.918 9.590 -5.250 1.00 0.00 N ATOM 392 CA LEU A 159 1.191 8.901 -3.961 1.00 0.00 C ATOM 393 C LEU A 159 2.607 9.269 -3.522 1.00 0.00 C ATOM 394 O LEU A 159 3.454 9.590 -4.336 1.00 0.00 O ATOM 395 CB LEU A 159 1.081 7.391 -4.140 1.00 0.00 C ATOM 396 CG LEU A 159 1.332 6.694 -2.800 1.00 0.00 C ATOM 397 CD1 LEU A 159 0.198 6.997 -1.823 1.00 0.00 C ATOM 398 CD2 LEU A 159 1.412 5.204 -3.044 1.00 0.00 C ATOM 0 H LEU A 159 1.538 9.333 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 159 0.466 9.210 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.092 7.131 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.804 7.049 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 159 2.264 7.056 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.391 6.495 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 159 0.138 8.073 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.745 6.640 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 159 1.591 4.690 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 159 0.474 4.855 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.229 4.992 -3.733 1.00 0.00 H new ATOM 410 N LEU A 160 2.869 9.222 -2.246 1.00 0.00 N ATOM 411 CA LEU A 160 4.216 9.566 -1.743 1.00 0.00 C ATOM 412 C LEU A 160 4.815 8.352 -1.031 1.00 0.00 C ATOM 413 O LEU A 160 4.288 7.259 -1.114 1.00 0.00 O ATOM 414 CB LEU A 160 4.102 10.751 -0.780 1.00 0.00 C ATOM 415 CG LEU A 160 3.053 10.500 0.314 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.629 9.582 1.394 1.00 0.00 C ATOM 417 CD2 LEU A 160 2.667 11.837 0.951 1.00 0.00 C ATOM 0 H LEU A 160 2.196 8.956 -1.527 1.00 0.00 H new ATOM 0 HA LEU A 160 4.868 9.843 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.071 10.938 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 160 3.837 11.649 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 160 2.178 10.026 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 160 2.877 9.411 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 160 3.915 8.630 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.506 10.051 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.922 11.668 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 160 3.551 12.300 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.252 12.497 0.189 1.00 0.00 H new ATOM 429 N ASN A 161 5.909 8.533 -0.330 1.00 0.00 N ATOM 430 CA ASN A 161 6.554 7.393 0.399 1.00 0.00 C ATOM 431 C ASN A 161 5.508 6.674 1.259 1.00 0.00 C ATOM 432 O ASN A 161 5.147 7.145 2.322 1.00 0.00 O ATOM 433 CB ASN A 161 7.650 7.941 1.314 1.00 0.00 C ATOM 434 CG ASN A 161 8.520 6.789 1.819 1.00 0.00 C ATOM 435 OD1 ASN A 161 8.732 5.820 1.120 1.00 0.00 O ATOM 436 ND2 ASN A 161 9.037 6.855 3.016 1.00 0.00 N ATOM 0 H ASN A 161 6.387 9.429 -0.231 1.00 0.00 H new ATOM 0 HA ASN A 161 6.979 6.696 -0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.262 8.662 0.773 1.00 0.00 H new ATOM 0 HB3 ASN A 161 7.204 8.470 2.156 1.00 0.00 H new ATOM 0 HD21 ASN A 161 9.619 6.092 3.363 1.00 0.00 H new ATOM 0 HD22 ASN A 161 8.859 7.669 3.604 1.00 0.00 H new ATOM 443 N GLY A 162 5.010 5.549 0.806 1.00 0.00 N ATOM 444 CA GLY A 162 3.981 4.824 1.602 1.00 0.00 C ATOM 445 C GLY A 162 4.244 3.327 1.541 1.00 0.00 C ATOM 446 O GLY A 162 5.332 2.865 1.831 1.00 0.00 O ATOM 0 H GLY A 162 5.272 5.107 -0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.002 5.164 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 162 2.986 5.044 1.214 1.00 0.00 H new ATOM 450 N PHE A 163 3.252 2.566 1.168 1.00 0.00 N ATOM 451 CA PHE A 163 3.429 1.094 1.088 1.00 0.00 C ATOM 452 C PHE A 163 2.947 0.584 -0.270 1.00 0.00 C ATOM 453 O PHE A 163 1.792 0.738 -0.628 1.00 0.00 O ATOM 454 CB PHE A 163 2.610 0.423 2.191 1.00 0.00 C ATOM 455 CG PHE A 163 3.285 0.630 3.525 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.319 1.905 4.102 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.875 -0.454 4.186 1.00 0.00 C ATOM 458 CE1 PHE A 163 3.944 2.096 5.340 1.00 0.00 C ATOM 459 CE2 PHE A 163 4.498 -0.263 5.423 1.00 0.00 C ATOM 460 CZ PHE A 163 4.532 1.011 6.001 1.00 0.00 C ATOM 0 H PHE A 163 2.324 2.905 0.915 1.00 0.00 H new ATOM 0 HA PHE A 163 4.485 0.856 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.603 0.840 2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.509 -0.643 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 163 2.863 2.741 3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 163 3.849 -1.437 3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 163 3.973 3.080 5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 163 4.953 -1.099 5.933 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.012 1.157 6.957 1.00 0.00 H new ATOM 470 N ARG A 164 3.830 -0.012 -1.030 1.00 0.00 N ATOM 471 CA ARG A 164 3.437 -0.539 -2.368 1.00 0.00 C ATOM 472 C ARG A 164 3.639 -2.054 -2.439 1.00 0.00 C ATOM 473 O ARG A 164 4.606 -2.589 -1.933 1.00 0.00 O ATOM 474 CB ARG A 164 4.322 0.074 -3.449 1.00 0.00 C ATOM 475 CG ARG A 164 5.806 -0.069 -3.061 1.00 0.00 C ATOM 476 CD ARG A 164 6.600 -0.669 -4.229 1.00 0.00 C ATOM 477 NE ARG A 164 7.771 0.202 -4.536 1.00 0.00 N ATOM 478 CZ ARG A 164 8.246 0.254 -5.751 1.00 0.00 C ATOM 479 NH1 ARG A 164 8.346 -0.835 -6.464 1.00 0.00 N ATOM 480 NH2 ARG A 164 8.623 1.399 -6.255 1.00 0.00 N ATOM 0 H ARG A 164 4.808 -0.156 -0.779 1.00 0.00 H new ATOM 0 HA ARG A 164 2.388 -0.286 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.138 -0.419 -4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 164 4.072 1.127 -3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 164 6.216 0.905 -2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 164 5.900 -0.706 -2.181 1.00 0.00 H new ATOM 0 HD2 ARG A 164 6.938 -1.674 -3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 164 5.961 -0.760 -5.108 1.00 0.00 H new ATOM 0 HE ARG A 164 8.201 0.757 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 164 8.053 -1.730 -6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 164 8.717 -0.791 -7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 164 8.546 2.251 -5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 164 8.994 1.441 -7.204 1.00 0.00 H new ATOM 494 N CYS A 165 2.742 -2.737 -3.106 1.00 0.00 N ATOM 495 CA CYS A 165 2.878 -4.210 -3.274 1.00 0.00 C ATOM 496 C CYS A 165 3.879 -4.456 -4.403 1.00 0.00 C ATOM 497 O CYS A 165 3.724 -3.939 -5.497 1.00 0.00 O ATOM 498 CB CYS A 165 1.510 -4.809 -3.643 1.00 0.00 C ATOM 499 SG CYS A 165 1.650 -6.591 -3.984 1.00 0.00 S ATOM 0 H CYS A 165 1.915 -2.330 -3.544 1.00 0.00 H new ATOM 0 HA CYS A 165 3.225 -4.678 -2.352 1.00 0.00 H new ATOM 0 HB2 CYS A 165 0.805 -4.645 -2.828 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.109 -4.298 -4.518 1.00 0.00 H new ATOM 0 HG CYS A 165 0.490 -7.156 -3.823 1.00 0.00 H new ATOM 504 N GLN A 166 4.898 -5.236 -4.140 1.00 0.00 N ATOM 505 CA GLN A 166 5.930 -5.526 -5.176 1.00 0.00 C ATOM 506 C GLN A 166 5.541 -6.761 -6.007 1.00 0.00 C ATOM 507 O GLN A 166 6.393 -7.470 -6.509 1.00 0.00 O ATOM 508 CB GLN A 166 7.270 -5.779 -4.480 1.00 0.00 C ATOM 509 CG GLN A 166 7.141 -6.952 -3.498 1.00 0.00 C ATOM 510 CD GLN A 166 8.534 -7.397 -3.047 1.00 0.00 C ATOM 511 OE1 GLN A 166 9.359 -7.768 -3.858 1.00 0.00 O ATOM 512 NE2 GLN A 166 8.832 -7.379 -1.775 1.00 0.00 N ATOM 0 H GLN A 166 5.058 -5.688 -3.240 1.00 0.00 H new ATOM 0 HA GLN A 166 6.007 -4.672 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 166 8.038 -5.998 -5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.587 -4.882 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 166 6.546 -6.654 -2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 166 6.619 -7.782 -3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 166 8.140 -7.068 -1.093 1.00 0.00 H new ATOM 0 HE22 GLN A 166 9.757 -7.676 -1.464 1.00 0.00 H new ATOM 521 N THR A 167 4.267 -7.011 -6.169 1.00 0.00 N ATOM 522 CA THR A 167 3.816 -8.180 -6.975 1.00 0.00 C ATOM 523 C THR A 167 2.857 -7.684 -8.055 1.00 0.00 C ATOM 524 O THR A 167 2.953 -8.062 -9.207 1.00 0.00 O ATOM 525 CB THR A 167 3.100 -9.182 -6.081 1.00 0.00 C ATOM 526 OG1 THR A 167 3.910 -9.478 -4.950 1.00 0.00 O ATOM 527 CG2 THR A 167 2.818 -10.463 -6.870 1.00 0.00 C ATOM 0 H THR A 167 3.514 -6.448 -5.772 1.00 0.00 H new ATOM 0 HA THR A 167 4.677 -8.668 -7.431 1.00 0.00 H new ATOM 0 HB THR A 167 2.156 -8.756 -5.742 1.00 0.00 H new ATOM 0 HG1 THR A 167 3.446 -10.122 -4.375 1.00 0.00 H new ATOM 0 HG21 THR A 167 2.305 -11.180 -6.229 1.00 0.00 H new ATOM 0 HG22 THR A 167 2.189 -10.230 -7.729 1.00 0.00 H new ATOM 0 HG23 THR A 167 3.759 -10.893 -7.215 1.00 0.00 H new ATOM 535 N CYS A 168 1.940 -6.826 -7.686 1.00 0.00 N ATOM 536 CA CYS A 168 0.972 -6.281 -8.681 1.00 0.00 C ATOM 537 C CYS A 168 1.305 -4.809 -8.973 1.00 0.00 C ATOM 538 O CYS A 168 0.874 -4.263 -9.974 1.00 0.00 O ATOM 539 CB CYS A 168 -0.458 -6.395 -8.131 1.00 0.00 C ATOM 540 SG CYS A 168 -0.589 -5.533 -6.544 1.00 0.00 S ATOM 0 H CYS A 168 1.821 -6.479 -6.734 1.00 0.00 H new ATOM 0 HA CYS A 168 1.044 -6.854 -9.605 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -1.164 -5.969 -8.844 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.725 -7.444 -8.006 1.00 0.00 H new ATOM 0 HG CYS A 168 0.237 -6.064 -5.692 1.00 0.00 H new ATOM 545 N GLY A 169 2.057 -4.157 -8.110 1.00 0.00 N ATOM 546 CA GLY A 169 2.395 -2.728 -8.348 1.00 0.00 C ATOM 547 C GLY A 169 1.360 -1.873 -7.631 1.00 0.00 C ATOM 548 O GLY A 169 0.852 -0.909 -8.172 1.00 0.00 O ATOM 0 H GLY A 169 2.446 -4.559 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.395 -2.506 -7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.396 -2.510 -9.416 1.00 0.00 H new ATOM 552 N TYR A 170 1.044 -2.227 -6.412 1.00 0.00 N ATOM 553 CA TYR A 170 0.035 -1.442 -5.645 1.00 0.00 C ATOM 554 C TYR A 170 0.751 -0.333 -4.894 1.00 0.00 C ATOM 555 O TYR A 170 1.947 -0.388 -4.705 1.00 0.00 O ATOM 556 CB TYR A 170 -0.693 -2.348 -4.653 1.00 0.00 C ATOM 557 CG TYR A 170 -2.129 -1.898 -4.524 1.00 0.00 C ATOM 558 CD1 TYR A 170 -3.105 -2.422 -5.379 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.481 -0.955 -3.553 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.435 -2.002 -5.261 1.00 0.00 C ATOM 561 CE2 TYR A 170 -3.811 -0.534 -3.436 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.787 -1.058 -4.289 1.00 0.00 C ATOM 563 OH TYR A 170 -6.099 -0.643 -4.174 1.00 0.00 O ATOM 0 H TYR A 170 1.441 -3.025 -5.916 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.698 -1.017 -6.331 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.654 -3.383 -4.992 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.200 -2.312 -3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.832 -3.150 -6.129 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -1.727 -0.552 -2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -5.189 -2.406 -5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.083 0.195 -2.687 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.172 0.013 -3.450 1.00 0.00 H new ATOM 573 N LYS A 171 0.040 0.682 -4.483 1.00 0.00 N ATOM 574 CA LYS A 171 0.697 1.798 -3.755 1.00 0.00 C ATOM 575 C LYS A 171 -0.359 2.571 -2.949 1.00 0.00 C ATOM 576 O LYS A 171 -1.450 2.796 -3.444 1.00 0.00 O ATOM 577 CB LYS A 171 1.423 2.671 -4.801 1.00 0.00 C ATOM 578 CG LYS A 171 0.462 3.595 -5.578 1.00 0.00 C ATOM 579 CD LYS A 171 -0.172 2.820 -6.739 1.00 0.00 C ATOM 580 CE LYS A 171 0.578 3.133 -8.036 1.00 0.00 C ATOM 581 NZ LYS A 171 -0.380 3.112 -9.177 1.00 0.00 N ATOM 0 H LYS A 171 -0.965 0.784 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 171 1.435 1.443 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 171 2.178 3.277 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 171 1.948 2.026 -5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.314 3.971 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 171 1.003 4.461 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 171 -0.138 1.750 -6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 171 -1.223 3.092 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 171 1.056 4.110 -7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 171 1.370 2.401 -8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 0.127 3.324 -10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 -0.817 2.171 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 -1.120 3.826 -9.022 1.00 0.00 H new ATOM 595 N PHE A 172 -0.074 2.981 -1.720 1.00 0.00 N ATOM 596 CA PHE A 172 -1.128 3.733 -0.958 1.00 0.00 C ATOM 597 C PHE A 172 -0.598 4.387 0.352 1.00 0.00 C ATOM 598 O PHE A 172 0.375 3.951 0.935 1.00 0.00 O ATOM 599 CB PHE A 172 -2.298 2.770 -0.696 1.00 0.00 C ATOM 600 CG PHE A 172 -2.026 1.835 0.467 1.00 0.00 C ATOM 601 CD1 PHE A 172 -2.151 2.295 1.778 1.00 0.00 C ATOM 602 CD2 PHE A 172 -1.688 0.505 0.225 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.935 1.432 2.853 1.00 0.00 C ATOM 604 CE2 PHE A 172 -1.474 -0.366 1.297 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.595 0.096 2.614 1.00 0.00 C ATOM 0 H PHE A 172 0.810 2.832 -1.233 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.464 4.577 -1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.201 3.346 -0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.490 2.183 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.417 3.326 1.962 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.592 0.148 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -2.030 1.794 3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -1.215 -1.398 1.110 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.426 -0.577 3.442 1.00 0.00 H new ATOM 615 N HIS A 173 -1.252 5.457 0.795 1.00 0.00 N ATOM 616 CA HIS A 173 -0.833 6.202 2.043 1.00 0.00 C ATOM 617 C HIS A 173 -1.332 5.461 3.332 1.00 0.00 C ATOM 618 O HIS A 173 -1.213 4.259 3.438 1.00 0.00 O ATOM 619 CB HIS A 173 -1.429 7.626 2.029 1.00 0.00 C ATOM 620 CG HIS A 173 -1.550 8.208 0.674 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.673 7.993 -0.130 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.782 9.123 0.041 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.521 8.807 -1.187 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.384 9.507 -1.121 1.00 0.00 N ATOM 0 H HIS A 173 -2.073 5.848 0.332 1.00 0.00 H new ATOM 0 HA HIS A 173 0.256 6.249 2.057 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.415 7.602 2.494 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.804 8.278 2.640 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.166 9.494 0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.233 8.887 -1.995 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -1.039 10.187 -1.799 1.00 0.00 H new ATOM 632 N GLU A 174 -1.883 6.173 4.324 1.00 0.00 N ATOM 633 CA GLU A 174 -2.380 5.509 5.571 1.00 0.00 C ATOM 634 C GLU A 174 -3.915 5.341 5.503 1.00 0.00 C ATOM 635 O GLU A 174 -4.488 4.552 6.228 1.00 0.00 O ATOM 636 CB GLU A 174 -2.016 6.361 6.790 1.00 0.00 C ATOM 637 CG GLU A 174 -2.563 7.787 6.616 1.00 0.00 C ATOM 638 CD GLU A 174 -1.404 8.769 6.421 1.00 0.00 C ATOM 639 OE1 GLU A 174 -1.004 8.966 5.284 1.00 0.00 O ATOM 640 OE2 GLU A 174 -0.937 9.307 7.412 1.00 0.00 O ATOM 0 H GLU A 174 -2.001 7.186 4.305 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.914 4.528 5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.428 5.912 7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -0.933 6.390 6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -3.233 7.827 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -3.148 8.071 7.491 1.00 0.00 H new ATOM 647 N HIS A 175 -4.581 6.052 4.611 1.00 0.00 N ATOM 648 CA HIS A 175 -6.074 5.913 4.461 1.00 0.00 C ATOM 649 C HIS A 175 -6.395 4.699 3.600 1.00 0.00 C ATOM 650 O HIS A 175 -7.466 4.619 3.018 1.00 0.00 O ATOM 651 CB HIS A 175 -6.607 7.109 3.662 1.00 0.00 C ATOM 652 CG HIS A 175 -6.788 8.300 4.561 1.00 0.00 C ATOM 653 ND1 HIS A 175 -5.746 9.201 4.829 1.00 0.00 N ATOM 654 CD2 HIS A 175 -7.873 8.758 5.262 1.00 0.00 C ATOM 655 CE1 HIS A 175 -6.248 10.135 5.656 1.00 0.00 C ATOM 656 NE2 HIS A 175 -7.535 9.902 5.941 1.00 0.00 N ATOM 0 H HIS A 175 -4.151 6.726 3.978 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.510 5.838 5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.914 7.355 2.857 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.558 6.849 3.196 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -8.846 8.290 5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -5.683 10.970 6.043 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -8.141 10.461 6.541 1.00 0.00 H new ATOM 664 N CYS A 176 -5.453 3.829 3.397 1.00 0.00 N ATOM 665 CA CYS A 176 -5.675 2.744 2.451 1.00 0.00 C ATOM 666 C CYS A 176 -5.010 1.460 2.948 1.00 0.00 C ATOM 667 O CYS A 176 -4.454 0.697 2.184 1.00 0.00 O ATOM 668 CB CYS A 176 -5.094 3.221 1.094 1.00 0.00 C ATOM 669 SG CYS A 176 -4.343 4.924 1.208 1.00 0.00 S ATOM 0 H CYS A 176 -4.541 3.834 3.853 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.734 2.510 2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.336 2.514 0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.884 3.224 0.343 1.00 0.00 H new ATOM 0 HG CYS A 176 -4.049 5.349 0.015 1.00 0.00 H new ATOM 674 N SER A 177 -5.094 1.208 4.230 1.00 0.00 N ATOM 675 CA SER A 177 -4.497 -0.036 4.800 1.00 0.00 C ATOM 676 C SER A 177 -5.614 -0.986 5.273 1.00 0.00 C ATOM 677 O SER A 177 -5.353 -1.968 5.942 1.00 0.00 O ATOM 678 CB SER A 177 -3.605 0.323 5.992 1.00 0.00 C ATOM 679 OG SER A 177 -3.108 1.645 5.828 1.00 0.00 O ATOM 0 H SER A 177 -5.553 1.815 4.909 1.00 0.00 H new ATOM 0 HA SER A 177 -3.904 -0.530 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 177 -4.172 0.248 6.920 1.00 0.00 H new ATOM 0 HB3 SER A 177 -2.777 -0.382 6.066 1.00 0.00 H new ATOM 0 HG SER A 177 -2.538 1.877 6.591 1.00 0.00 H new ATOM 685 N THR A 178 -6.855 -0.705 4.933 1.00 0.00 N ATOM 686 CA THR A 178 -7.978 -1.592 5.363 1.00 0.00 C ATOM 687 C THR A 178 -8.658 -2.196 4.129 1.00 0.00 C ATOM 688 O THR A 178 -9.120 -3.321 4.154 1.00 0.00 O ATOM 689 CB THR A 178 -8.995 -0.770 6.162 1.00 0.00 C ATOM 690 OG1 THR A 178 -8.304 0.093 7.055 1.00 0.00 O ATOM 691 CG2 THR A 178 -9.904 -1.707 6.957 1.00 0.00 C ATOM 0 H THR A 178 -7.133 0.103 4.376 1.00 0.00 H new ATOM 0 HA THR A 178 -7.589 -2.396 5.987 1.00 0.00 H new ATOM 0 HB THR A 178 -9.602 -0.178 5.477 1.00 0.00 H new ATOM 0 HG1 THR A 178 -8.952 0.621 7.566 1.00 0.00 H new ATOM 0 HG21 THR A 178 -10.626 -1.119 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 178 -10.433 -2.369 6.271 1.00 0.00 H new ATOM 0 HG23 THR A 178 -9.302 -2.302 7.643 1.00 0.00 H new ATOM 699 N LYS A 179 -8.720 -1.453 3.051 1.00 0.00 N ATOM 700 CA LYS A 179 -9.366 -1.970 1.808 1.00 0.00 C ATOM 701 C LYS A 179 -8.289 -2.493 0.849 1.00 0.00 C ATOM 702 O LYS A 179 -8.527 -3.389 0.063 1.00 0.00 O ATOM 703 CB LYS A 179 -10.132 -0.830 1.130 1.00 0.00 C ATOM 704 CG LYS A 179 -11.199 -1.403 0.189 1.00 0.00 C ATOM 705 CD LYS A 179 -12.568 -1.356 0.872 1.00 0.00 C ATOM 706 CE LYS A 179 -13.124 0.069 0.809 1.00 0.00 C ATOM 707 NZ LYS A 179 -13.868 0.366 2.065 1.00 0.00 N ATOM 0 H LYS A 179 -8.348 -0.506 2.980 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.051 -2.779 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -10.601 -0.197 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -9.442 -0.200 0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -11.225 -0.831 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -10.950 -2.430 -0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -13.254 -2.047 0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -12.479 -1.677 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -12.311 0.783 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -13.784 0.176 -0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -14.246 1.334 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -14.653 -0.308 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -13.225 0.280 2.878 1.00 0.00 H new ATOM 721 N VAL A 180 -7.111 -1.929 0.910 1.00 0.00 N ATOM 722 CA VAL A 180 -6.005 -2.369 0.009 1.00 0.00 C ATOM 723 C VAL A 180 -5.562 -3.832 0.283 1.00 0.00 C ATOM 724 O VAL A 180 -5.295 -4.538 -0.664 1.00 0.00 O ATOM 725 CB VAL A 180 -4.814 -1.412 0.173 1.00 0.00 C ATOM 726 CG1 VAL A 180 -3.620 -1.900 -0.661 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.227 -0.023 -0.315 1.00 0.00 C ATOM 0 H VAL A 180 -6.866 -1.175 1.552 1.00 0.00 H new ATOM 0 HA VAL A 180 -6.374 -2.341 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 180 -4.524 -1.377 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -2.783 -1.213 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -3.325 -2.895 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.903 -1.939 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.390 0.666 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -5.515 -0.077 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -6.071 0.334 0.275 1.00 0.00 H new