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 -147:sc= -0.256 USER MOD Set 1.2: A 155 CYS SG : rot 146:sc= 1.27 USER MOD Set 1.3: A 173 HIS : no HD1:sc= -4.9! C(o=-6.6!,f=-12!) USER MOD Set 1.4: A 176 CYS SG : rot -167:sc= -2.72! USER MOD Set 2.1: A 139 HIS : no HD1:sc= -0.798 K(o=-2.4,f=-3.1!) USER MOD Set 2.2: A 165 CYS SG : rot 162:sc= -2.02 USER MOD Set 2.3: A 167 THR OG1 : rot -170:sc= -0.112 USER MOD Set 2.4: A 168 CYS SG : rot -60:sc= 0.549 USER MOD Single : A 140 ASN : amide:sc= -0.877 K(o=-0.88,f=-3!) USER MOD Single : A 144 LYS NZ :NH3+ -131:sc= -0.0587 (180deg=-0.804) USER MOD Single : A 145 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 ASN : amide:sc= -1.43 K(o=-1.4,f=-7.1!) USER MOD Single : A 166 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.034) USER MOD Single : A 170 TYR OH : rot 30:sc= -1.54 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=-0.014) USER MOD Single : A 177 SER OG : rot 180:sc= -0.206 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 -1.054 -10.114 -0.723 1.00 0.00 N ATOM 51 CA HIS A 139 -0.465 -8.804 -1.141 1.00 0.00 C ATOM 52 C HIS A 139 0.939 -8.657 -0.529 1.00 0.00 C ATOM 53 O HIS A 139 1.527 -9.611 -0.056 1.00 0.00 O ATOM 54 CB HIS A 139 -1.367 -7.672 -0.623 1.00 0.00 C ATOM 55 CG HIS A 139 -2.078 -6.975 -1.759 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.593 -6.952 -3.088 1.00 0.00 N ATOM 57 CD2 HIS A 139 -3.253 -6.270 -1.773 1.00 0.00 C ATOM 58 CE1 HIS A 139 -2.498 -6.248 -3.800 1.00 0.00 C ATOM 59 NE2 HIS A 139 -3.510 -5.820 -3.040 1.00 0.00 N ATOM 0 HA HIS A 139 -0.392 -8.757 -2.228 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.100 -8.078 0.074 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.767 -6.950 -0.069 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -3.882 -6.095 -0.913 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -2.414 -6.054 -4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -4.313 -5.269 -3.343 1.00 0.00 H new ATOM 67 N ASN A 140 1.465 -7.463 -0.530 1.00 0.00 N ATOM 68 CA ASN A 140 2.815 -7.221 0.048 1.00 0.00 C ATOM 69 C ASN A 140 2.902 -5.750 0.441 1.00 0.00 C ATOM 70 O ASN A 140 2.361 -4.893 -0.233 1.00 0.00 O ATOM 71 CB ASN A 140 3.888 -7.541 -0.995 1.00 0.00 C ATOM 72 CG ASN A 140 5.192 -7.917 -0.288 1.00 0.00 C ATOM 73 OD1 ASN A 140 6.158 -7.181 -0.342 1.00 0.00 O ATOM 74 ND2 ASN A 140 5.262 -9.037 0.377 1.00 0.00 N ATOM 0 H ASN A 140 1.009 -6.634 -0.912 1.00 0.00 H new ATOM 0 HA ASN A 140 2.975 -7.857 0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.558 -8.362 -1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.049 -6.679 -1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 140 6.127 -9.295 0.852 1.00 0.00 H new ATOM 0 HD22 ASN A 140 4.452 -9.655 0.422 1.00 0.00 H new ATOM 81 N PHE A 141 3.559 -5.450 1.528 1.00 0.00 N ATOM 82 CA PHE A 141 3.655 -4.027 1.965 1.00 0.00 C ATOM 83 C PHE A 141 5.079 -3.728 2.437 1.00 0.00 C ATOM 84 O PHE A 141 5.470 -4.087 3.532 1.00 0.00 O ATOM 85 CB PHE A 141 2.662 -3.776 3.105 1.00 0.00 C ATOM 86 CG PHE A 141 1.288 -4.277 2.704 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.617 -3.696 1.620 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.691 -5.327 3.412 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.651 -4.164 1.249 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.576 -5.793 3.042 1.00 0.00 C ATOM 91 CZ PHE A 141 -1.247 -5.211 1.961 1.00 0.00 C ATOM 0 H PHE A 141 4.031 -6.124 2.130 1.00 0.00 H new ATOM 0 HA PHE A 141 3.414 -3.372 1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 141 2.996 -4.284 4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.619 -2.711 3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.077 -2.888 1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.209 -5.778 4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.168 -3.716 0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.036 -6.602 3.591 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.225 -5.570 1.676 1.00 0.00 H new ATOM 101 N ALA A 142 5.852 -3.072 1.611 1.00 0.00 N ATOM 102 CA ALA A 142 7.254 -2.736 1.992 1.00 0.00 C ATOM 103 C ALA A 142 7.417 -1.215 1.997 1.00 0.00 C ATOM 104 O ALA A 142 7.150 -0.551 1.015 1.00 0.00 O ATOM 105 CB ALA A 142 8.221 -3.348 0.977 1.00 0.00 C ATOM 0 H ALA A 142 5.570 -2.753 0.684 1.00 0.00 H new ATOM 0 HA ALA A 142 7.472 -3.135 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.245 -3.102 1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.098 -4.431 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 142 8.009 -2.948 -0.014 1.00 0.00 H new ATOM 111 N ARG A 143 7.846 -0.664 3.102 1.00 0.00 N ATOM 112 CA ARG A 143 8.020 0.815 3.187 1.00 0.00 C ATOM 113 C ARG A 143 9.101 1.268 2.204 1.00 0.00 C ATOM 114 O ARG A 143 10.281 1.198 2.488 1.00 0.00 O ATOM 115 CB ARG A 143 8.439 1.198 4.608 1.00 0.00 C ATOM 116 CG ARG A 143 8.432 2.722 4.751 1.00 0.00 C ATOM 117 CD ARG A 143 9.520 3.148 5.738 1.00 0.00 C ATOM 118 NE ARG A 143 9.842 4.588 5.533 1.00 0.00 N ATOM 119 CZ ARG A 143 10.921 4.929 4.882 1.00 0.00 C ATOM 120 NH1 ARG A 143 12.096 4.632 5.367 1.00 0.00 N ATOM 121 NH2 ARG A 143 10.825 5.567 3.748 1.00 0.00 N ATOM 0 H ARG A 143 8.084 -1.176 3.951 1.00 0.00 H new ATOM 0 HA ARG A 143 7.077 1.301 2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 143 7.757 0.751 5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 143 9.433 0.807 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 143 8.603 3.189 3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 143 7.457 3.060 5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 143 9.183 2.982 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 143 10.414 2.541 5.595 1.00 0.00 H new ATOM 0 HE ARG A 143 9.220 5.307 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 143 12.171 4.134 6.254 1.00 0.00 H new ATOM 0 HH12 ARG A 143 12.940 4.898 4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 143 9.907 5.800 3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 143 11.668 5.833 3.240 1.00 0.00 H new ATOM 135 N LYS A 144 8.700 1.746 1.054 1.00 0.00 N ATOM 136 CA LYS A 144 9.689 2.225 0.047 1.00 0.00 C ATOM 137 C LYS A 144 9.060 3.362 -0.757 1.00 0.00 C ATOM 138 O LYS A 144 7.998 3.850 -0.420 1.00 0.00 O ATOM 139 CB LYS A 144 10.084 1.076 -0.888 1.00 0.00 C ATOM 140 CG LYS A 144 8.839 0.500 -1.567 1.00 0.00 C ATOM 141 CD LYS A 144 9.196 -0.829 -2.238 1.00 0.00 C ATOM 142 CE LYS A 144 10.088 -0.567 -3.454 1.00 0.00 C ATOM 143 NZ LYS A 144 11.519 -0.736 -3.071 1.00 0.00 N ATOM 0 H LYS A 144 7.724 1.825 0.769 1.00 0.00 H new ATOM 0 HA LYS A 144 10.586 2.583 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 144 10.786 1.434 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.594 0.296 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 144 8.048 0.349 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.457 1.203 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 144 9.711 -1.479 -1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.288 -1.348 -2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 144 9.833 -1.256 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 144 9.919 0.442 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 12.066 0.084 -3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 11.595 -0.808 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 11.895 -1.602 -3.507 1.00 0.00 H new ATOM 157 N THR A 145 9.707 3.794 -1.807 1.00 0.00 N ATOM 158 CA THR A 145 9.142 4.907 -2.621 1.00 0.00 C ATOM 159 C THR A 145 9.139 4.529 -4.103 1.00 0.00 C ATOM 160 O THR A 145 9.673 3.509 -4.497 1.00 0.00 O ATOM 161 CB THR A 145 9.974 6.170 -2.399 1.00 0.00 C ATOM 162 OG1 THR A 145 9.519 7.207 -3.255 1.00 0.00 O ATOM 163 CG2 THR A 145 11.437 5.870 -2.694 1.00 0.00 C ATOM 0 H THR A 145 10.600 3.425 -2.135 1.00 0.00 H new ATOM 0 HA THR A 145 8.114 5.094 -2.311 1.00 0.00 H new ATOM 0 HB THR A 145 9.868 6.492 -1.363 1.00 0.00 H new ATOM 0 HG1 THR A 145 10.056 8.013 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 145 12.032 6.770 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.788 5.081 -2.028 1.00 0.00 H new ATOM 0 HG23 THR A 145 11.540 5.544 -3.729 1.00 0.00 H new ATOM 171 N PHE A 146 8.521 5.342 -4.919 1.00 0.00 N ATOM 172 CA PHE A 146 8.446 5.043 -6.380 1.00 0.00 C ATOM 173 C PHE A 146 9.508 5.834 -7.157 1.00 0.00 C ATOM 174 O PHE A 146 9.694 5.613 -8.336 1.00 0.00 O ATOM 175 CB PHE A 146 7.056 5.426 -6.900 1.00 0.00 C ATOM 176 CG PHE A 146 6.000 4.743 -6.061 1.00 0.00 C ATOM 177 CD1 PHE A 146 5.671 5.250 -4.798 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.358 3.598 -6.544 1.00 0.00 C ATOM 179 CE1 PHE A 146 4.703 4.613 -4.020 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.387 2.961 -5.764 1.00 0.00 C ATOM 181 CZ PHE A 146 4.062 3.469 -4.500 1.00 0.00 C ATOM 0 H PHE A 146 8.062 6.207 -4.634 1.00 0.00 H new ATOM 0 HA PHE A 146 8.628 3.978 -6.527 1.00 0.00 H new ATOM 0 HB2 PHE A 146 6.926 6.507 -6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 146 6.953 5.132 -7.944 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.167 6.134 -4.426 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.612 3.206 -7.518 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.450 5.005 -3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.888 2.078 -6.136 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.315 2.976 -3.896 1.00 0.00 H new ATOM 191 N LEU A 147 10.199 6.752 -6.516 1.00 0.00 N ATOM 192 CA LEU A 147 11.248 7.563 -7.223 1.00 0.00 C ATOM 193 C LEU A 147 10.572 8.540 -8.196 1.00 0.00 C ATOM 194 O LEU A 147 10.343 9.688 -7.864 1.00 0.00 O ATOM 195 CB LEU A 147 12.227 6.642 -7.981 1.00 0.00 C ATOM 196 CG LEU A 147 13.620 6.737 -7.353 1.00 0.00 C ATOM 197 CD1 LEU A 147 13.713 5.781 -6.162 1.00 0.00 C ATOM 198 CD2 LEU A 147 14.674 6.355 -8.396 1.00 0.00 C ATOM 0 H LEU A 147 10.081 6.975 -5.528 1.00 0.00 H new ATOM 0 HA LEU A 147 11.817 8.128 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 147 11.872 5.612 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 147 12.271 6.929 -9.032 1.00 0.00 H new ATOM 0 HG LEU A 147 13.795 7.757 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 147 14.705 5.850 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 147 12.962 6.051 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 147 13.538 4.760 -6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 147 15.667 6.422 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 147 14.497 5.335 -8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 147 14.610 7.036 -9.244 1.00 0.00 H new ATOM 210 N LYS A 148 10.249 8.104 -9.394 1.00 0.00 N ATOM 211 CA LYS A 148 9.591 9.016 -10.380 1.00 0.00 C ATOM 212 C LYS A 148 8.283 9.563 -9.793 1.00 0.00 C ATOM 213 O LYS A 148 8.245 10.663 -9.273 1.00 0.00 O ATOM 214 CB LYS A 148 9.306 8.250 -11.678 1.00 0.00 C ATOM 215 CG LYS A 148 10.622 7.973 -12.413 1.00 0.00 C ATOM 216 CD LYS A 148 10.416 8.149 -13.921 1.00 0.00 C ATOM 217 CE LYS A 148 9.840 6.862 -14.512 1.00 0.00 C ATOM 218 NZ LYS A 148 10.311 6.708 -15.918 1.00 0.00 N ATOM 0 H LYS A 148 10.414 7.155 -9.729 1.00 0.00 H new ATOM 0 HA LYS A 148 10.256 9.852 -10.597 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.799 7.312 -11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.638 8.830 -12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 148 11.397 8.653 -12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.964 6.961 -12.198 1.00 0.00 H new ATOM 0 HD2 LYS A 148 9.741 8.983 -14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 148 11.364 8.390 -14.402 1.00 0.00 H new ATOM 0 HE2 LYS A 148 10.152 6.004 -13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 148 8.751 6.891 -14.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 9.920 5.833 -16.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 9.992 7.522 -16.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 11.350 6.662 -15.933 1.00 0.00 H new ATOM 232 N LEU A 149 7.211 8.808 -9.871 1.00 0.00 N ATOM 233 CA LEU A 149 5.912 9.290 -9.319 1.00 0.00 C ATOM 234 C LEU A 149 4.851 8.189 -9.455 1.00 0.00 C ATOM 235 O LEU A 149 4.953 7.315 -10.295 1.00 0.00 O ATOM 236 CB LEU A 149 5.469 10.536 -10.098 1.00 0.00 C ATOM 237 CG LEU A 149 5.077 11.652 -9.122 1.00 0.00 C ATOM 238 CD1 LEU A 149 5.515 13.005 -9.686 1.00 0.00 C ATOM 239 CD2 LEU A 149 3.559 11.654 -8.926 1.00 0.00 C ATOM 0 H LEU A 149 7.184 7.880 -10.294 1.00 0.00 H new ATOM 0 HA LEU A 149 6.031 9.539 -8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.276 10.876 -10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.624 10.291 -10.742 1.00 0.00 H new ATOM 0 HG LEU A 149 5.568 11.480 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 149 5.235 13.797 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 149 6.596 13.009 -9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 149 5.026 13.175 -10.645 1.00 0.00 H new ATOM 0 HD21 LEU A 149 3.283 12.448 -8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 149 3.069 11.823 -9.885 1.00 0.00 H new ATOM 0 HD23 LEU A 149 3.243 10.692 -8.522 1.00 0.00 H new ATOM 251 N ALA A 150 3.833 8.236 -8.634 1.00 0.00 N ATOM 252 CA ALA A 150 2.750 7.209 -8.698 1.00 0.00 C ATOM 253 C ALA A 150 1.413 7.883 -8.364 1.00 0.00 C ATOM 254 O ALA A 150 1.303 9.093 -8.422 1.00 0.00 O ATOM 255 CB ALA A 150 3.054 6.092 -7.692 1.00 0.00 C ATOM 0 H ALA A 150 3.705 8.949 -7.916 1.00 0.00 H new ATOM 0 HA ALA A 150 2.694 6.775 -9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.266 5.340 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.010 5.631 -7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.102 6.511 -6.687 1.00 0.00 H new ATOM 261 N PHE A 151 0.397 7.123 -8.022 1.00 0.00 N ATOM 262 CA PHE A 151 -0.925 7.742 -7.692 1.00 0.00 C ATOM 263 C PHE A 151 -1.755 6.788 -6.822 1.00 0.00 C ATOM 264 O PHE A 151 -1.919 5.626 -7.147 1.00 0.00 O ATOM 265 CB PHE A 151 -1.686 8.032 -8.991 1.00 0.00 C ATOM 266 CG PHE A 151 -1.556 9.490 -9.362 1.00 0.00 C ATOM 267 CD1 PHE A 151 -2.447 10.430 -8.829 1.00 0.00 C ATOM 268 CD2 PHE A 151 -0.553 9.902 -10.249 1.00 0.00 C ATOM 269 CE1 PHE A 151 -2.333 11.780 -9.178 1.00 0.00 C ATOM 270 CE2 PHE A 151 -0.439 11.253 -10.597 1.00 0.00 C ATOM 271 CZ PHE A 151 -1.329 12.192 -10.062 1.00 0.00 C ATOM 0 H PHE A 151 0.428 6.105 -7.958 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.757 8.669 -7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.295 7.409 -9.796 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.738 7.773 -8.869 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -3.223 10.112 -8.148 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.132 9.178 -10.664 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -3.020 12.504 -8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 151 0.336 11.571 -11.279 1.00 0.00 H new ATOM 0 HZ PHE A 151 -1.241 13.234 -10.331 1.00 0.00 H new ATOM 281 N CYS A 152 -2.275 7.273 -5.718 1.00 0.00 N ATOM 282 CA CYS A 152 -3.094 6.395 -4.822 1.00 0.00 C ATOM 283 C CYS A 152 -4.502 6.192 -5.371 1.00 0.00 C ATOM 284 O CYS A 152 -5.329 7.087 -5.331 1.00 0.00 O ATOM 285 CB CYS A 152 -3.232 7.026 -3.451 1.00 0.00 C ATOM 286 SG CYS A 152 -3.787 5.752 -2.293 1.00 0.00 S ATOM 0 H CYS A 152 -2.168 8.236 -5.400 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.578 5.437 -4.763 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.279 7.444 -3.128 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.947 7.849 -3.482 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.542 6.292 -1.383 1.00 0.00 H new ATOM 291 N ASP A 153 -4.795 5.006 -5.834 1.00 0.00 N ATOM 292 CA ASP A 153 -6.168 4.718 -6.357 1.00 0.00 C ATOM 293 C ASP A 153 -7.205 4.748 -5.214 1.00 0.00 C ATOM 294 O ASP A 153 -8.395 4.689 -5.457 1.00 0.00 O ATOM 295 CB ASP A 153 -6.178 3.334 -7.009 1.00 0.00 C ATOM 296 CG ASP A 153 -7.271 3.281 -8.077 1.00 0.00 C ATOM 297 OD1 ASP A 153 -7.162 4.016 -9.045 1.00 0.00 O ATOM 298 OD2 ASP A 153 -8.198 2.506 -7.909 1.00 0.00 O ATOM 0 H ASP A 153 -4.144 4.222 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.431 5.482 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.207 3.124 -7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.354 2.566 -6.255 1.00 0.00 H new ATOM 303 N ILE A 154 -6.771 4.826 -3.976 1.00 0.00 N ATOM 304 CA ILE A 154 -7.729 4.845 -2.827 1.00 0.00 C ATOM 305 C ILE A 154 -8.050 6.281 -2.429 1.00 0.00 C ATOM 306 O ILE A 154 -9.098 6.554 -1.874 1.00 0.00 O ATOM 307 CB ILE A 154 -7.057 4.173 -1.620 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.702 2.703 -1.996 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.960 4.268 -0.360 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.778 1.715 -1.513 1.00 0.00 C ATOM 0 H ILE A 154 -5.787 4.878 -3.713 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.642 4.327 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.133 4.693 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.592 2.621 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.741 2.437 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.463 3.785 0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.142 5.316 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.910 3.770 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.494 0.701 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.870 1.778 -0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.734 1.965 -1.973 1.00 0.00 H new ATOM 322 N CYS A 155 -7.130 7.178 -2.633 1.00 0.00 N ATOM 323 CA CYS A 155 -7.355 8.568 -2.184 1.00 0.00 C ATOM 324 C CYS A 155 -7.808 9.475 -3.330 1.00 0.00 C ATOM 325 O CYS A 155 -8.991 9.643 -3.537 1.00 0.00 O ATOM 326 CB CYS A 155 -6.069 9.049 -1.544 1.00 0.00 C ATOM 327 SG CYS A 155 -5.798 8.084 -0.025 1.00 0.00 S ATOM 0 H CYS A 155 -6.235 7.005 -3.091 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.167 8.603 -1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.232 8.922 -2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.133 10.112 -1.313 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.523 7.905 0.154 1.00 0.00 H new ATOM 332 N GLN A 156 -6.897 10.059 -4.073 1.00 0.00 N ATOM 333 CA GLN A 156 -7.304 10.963 -5.207 1.00 0.00 C ATOM 334 C GLN A 156 -6.092 11.670 -5.833 1.00 0.00 C ATOM 335 O GLN A 156 -6.179 12.152 -6.948 1.00 0.00 O ATOM 336 CB GLN A 156 -8.299 12.038 -4.716 1.00 0.00 C ATOM 337 CG GLN A 156 -9.732 11.669 -5.138 1.00 0.00 C ATOM 338 CD GLN A 156 -10.437 12.900 -5.714 1.00 0.00 C ATOM 339 OE1 GLN A 156 -10.126 13.339 -6.804 1.00 0.00 O ATOM 340 NE2 GLN A 156 -11.380 13.479 -5.022 1.00 0.00 N ATOM 0 H GLN A 156 -5.891 9.952 -3.947 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.775 10.332 -5.960 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.243 12.127 -3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.029 13.010 -5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.708 10.872 -5.881 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.287 11.289 -4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -11.641 13.111 -4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -11.856 14.300 -5.396 1.00 0.00 H new ATOM 349 N LYS A 157 -4.976 11.760 -5.145 1.00 0.00 N ATOM 350 CA LYS A 157 -3.803 12.461 -5.735 1.00 0.00 C ATOM 351 C LYS A 157 -2.638 11.487 -5.865 1.00 0.00 C ATOM 352 O LYS A 157 -2.758 10.314 -5.585 1.00 0.00 O ATOM 353 CB LYS A 157 -3.394 13.624 -4.830 1.00 0.00 C ATOM 354 CG LYS A 157 -4.485 14.697 -4.849 1.00 0.00 C ATOM 355 CD LYS A 157 -5.485 14.435 -3.717 1.00 0.00 C ATOM 356 CE LYS A 157 -5.926 15.763 -3.089 1.00 0.00 C ATOM 357 NZ LYS A 157 -5.647 15.736 -1.626 1.00 0.00 N ATOM 0 H LYS A 157 -4.833 11.380 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.069 12.843 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.237 13.268 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.448 14.047 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.039 15.685 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.999 14.690 -5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -6.353 13.900 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.030 13.798 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -5.395 16.593 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -6.989 15.925 -3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -5.946 16.636 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.172 14.953 -1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -4.628 15.600 -1.469 1.00 0.00 H new ATOM 371 N PHE A 158 -1.515 11.976 -6.310 1.00 0.00 N ATOM 372 CA PHE A 158 -0.307 11.121 -6.501 1.00 0.00 C ATOM 373 C PHE A 158 -0.037 10.218 -5.274 1.00 0.00 C ATOM 374 O PHE A 158 -0.654 10.344 -4.235 1.00 0.00 O ATOM 375 CB PHE A 158 0.892 12.060 -6.702 1.00 0.00 C ATOM 376 CG PHE A 158 1.180 12.759 -5.395 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.453 13.893 -5.028 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.135 12.226 -4.527 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.684 14.497 -3.791 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.375 12.830 -3.293 1.00 0.00 C ATOM 381 CZ PHE A 158 1.647 13.967 -2.922 1.00 0.00 C ATOM 0 H PHE A 158 -1.379 12.957 -6.556 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.465 10.468 -7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.765 11.495 -7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.674 12.790 -7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.287 14.302 -5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.689 11.344 -4.812 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.121 15.373 -3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 158 3.120 12.422 -2.626 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.828 14.436 -1.966 1.00 0.00 H new ATOM 391 N LEU A 159 0.938 9.363 -5.399 1.00 0.00 N ATOM 392 CA LEU A 159 1.357 8.481 -4.273 1.00 0.00 C ATOM 393 C LEU A 159 2.846 8.756 -4.047 1.00 0.00 C ATOM 394 O LEU A 159 3.608 8.850 -4.992 1.00 0.00 O ATOM 395 CB LEU A 159 1.142 7.007 -4.662 1.00 0.00 C ATOM 396 CG LEU A 159 1.060 6.089 -3.425 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.315 6.218 -2.564 1.00 0.00 C ATOM 398 CD2 LEU A 159 -0.169 6.429 -2.586 1.00 0.00 C ATOM 0 H LEU A 159 1.476 9.235 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 159 0.778 8.676 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.224 6.916 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.959 6.678 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 159 0.981 5.061 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 159 2.232 5.561 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 159 3.189 5.936 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.421 7.249 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.210 5.771 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.107 7.465 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -1.068 6.294 -3.187 1.00 0.00 H new ATOM 410 N LEU A 160 3.264 8.917 -2.819 1.00 0.00 N ATOM 411 CA LEU A 160 4.699 9.223 -2.550 1.00 0.00 C ATOM 412 C LEU A 160 5.319 8.114 -1.697 1.00 0.00 C ATOM 413 O LEU A 160 4.703 7.099 -1.440 1.00 0.00 O ATOM 414 CB LEU A 160 4.815 10.572 -1.816 1.00 0.00 C ATOM 415 CG LEU A 160 3.657 10.774 -0.825 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.712 9.697 0.260 1.00 0.00 C ATOM 417 CD2 LEU A 160 3.779 12.155 -0.176 1.00 0.00 C ATOM 0 H LEU A 160 2.673 8.850 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 160 5.234 9.283 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.764 10.617 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.819 11.384 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 160 2.709 10.701 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 160 2.890 9.844 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 160 3.626 8.713 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.660 9.766 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.959 12.300 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 160 4.729 12.225 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 160 3.737 12.924 -0.947 1.00 0.00 H new ATOM 429 N ASN A 161 6.548 8.302 -1.266 1.00 0.00 N ATOM 430 CA ASN A 161 7.250 7.270 -0.430 1.00 0.00 C ATOM 431 C ASN A 161 6.331 6.771 0.701 1.00 0.00 C ATOM 432 O ASN A 161 6.214 7.394 1.740 1.00 0.00 O ATOM 433 CB ASN A 161 8.512 7.896 0.179 1.00 0.00 C ATOM 434 CG ASN A 161 8.141 9.147 0.982 1.00 0.00 C ATOM 435 OD1 ASN A 161 7.439 10.012 0.495 1.00 0.00 O ATOM 436 ND2 ASN A 161 8.587 9.281 2.200 1.00 0.00 N ATOM 0 H ASN A 161 7.101 9.137 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 161 7.516 6.422 -1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 161 9.011 7.174 0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 161 9.216 8.157 -0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 161 8.347 10.111 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 161 9.176 8.556 2.610 1.00 0.00 H new ATOM 443 N GLY A 162 5.666 5.658 0.495 1.00 0.00 N ATOM 444 CA GLY A 162 4.748 5.131 1.548 1.00 0.00 C ATOM 445 C GLY A 162 4.857 3.609 1.613 1.00 0.00 C ATOM 446 O GLY A 162 5.817 3.069 2.129 1.00 0.00 O ATOM 0 H GLY A 162 5.721 5.096 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 162 5.002 5.565 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.721 5.422 1.328 1.00 0.00 H new ATOM 450 N PHE A 163 3.873 2.915 1.100 1.00 0.00 N ATOM 451 CA PHE A 163 3.908 1.426 1.136 1.00 0.00 C ATOM 452 C PHE A 163 3.312 0.857 -0.155 1.00 0.00 C ATOM 453 O PHE A 163 2.132 1.004 -0.423 1.00 0.00 O ATOM 454 CB PHE A 163 3.085 0.928 2.325 1.00 0.00 C ATOM 455 CG PHE A 163 3.895 1.053 3.593 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.938 2.273 4.280 1.00 0.00 C ATOM 457 CD2 PHE A 163 4.599 -0.053 4.085 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.686 2.387 5.457 1.00 0.00 C ATOM 459 CE2 PHE A 163 5.347 0.061 5.263 1.00 0.00 C ATOM 460 CZ PHE A 163 5.391 1.282 5.948 1.00 0.00 C ATOM 0 H PHE A 163 3.047 3.318 0.658 1.00 0.00 H new ATOM 0 HA PHE A 163 4.943 1.097 1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 163 2.165 1.507 2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.794 -0.111 2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 163 3.394 3.126 3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 163 4.565 -0.994 3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 163 4.719 3.328 5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 163 5.890 -0.792 5.643 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.969 1.371 6.856 1.00 0.00 H new ATOM 470 N ARG A 164 4.120 0.204 -0.950 1.00 0.00 N ATOM 471 CA ARG A 164 3.616 -0.393 -2.221 1.00 0.00 C ATOM 472 C ARG A 164 3.810 -1.906 -2.200 1.00 0.00 C ATOM 473 O ARG A 164 4.682 -2.422 -1.525 1.00 0.00 O ATOM 474 CB ARG A 164 4.387 0.153 -3.427 1.00 0.00 C ATOM 475 CG ARG A 164 5.895 0.231 -3.129 1.00 0.00 C ATOM 476 CD ARG A 164 6.697 -0.375 -4.290 1.00 0.00 C ATOM 477 NE ARG A 164 6.219 0.178 -5.590 1.00 0.00 N ATOM 478 CZ ARG A 164 6.908 -0.033 -6.678 1.00 0.00 C ATOM 479 NH1 ARG A 164 8.161 0.326 -6.737 1.00 0.00 N ATOM 480 NH2 ARG A 164 6.343 -0.604 -7.707 1.00 0.00 N ATOM 0 H ARG A 164 5.114 0.058 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 164 2.560 -0.136 -2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.216 -0.487 -4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 164 4.012 1.143 -3.685 1.00 0.00 H new ATOM 0 HG2 ARG A 164 6.190 1.269 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.119 -0.303 -2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 164 7.757 -0.157 -4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 164 6.592 -1.460 -4.287 1.00 0.00 H new ATOM 0 HE ARG A 164 5.356 0.720 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 164 8.602 0.772 -5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 164 8.699 0.161 -7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 164 5.364 -0.885 -7.660 1.00 0.00 H new ATOM 0 HH22 ARG A 164 6.881 -0.769 -8.558 1.00 0.00 H new ATOM 494 N CYS A 165 3.023 -2.612 -2.968 1.00 0.00 N ATOM 495 CA CYS A 165 3.172 -4.091 -3.040 1.00 0.00 C ATOM 496 C CYS A 165 4.189 -4.397 -4.134 1.00 0.00 C ATOM 497 O CYS A 165 4.010 -4.014 -5.277 1.00 0.00 O ATOM 498 CB CYS A 165 1.829 -4.735 -3.387 1.00 0.00 C ATOM 499 SG CYS A 165 1.989 -6.538 -3.342 1.00 0.00 S ATOM 0 H CYS A 165 2.281 -2.224 -3.550 1.00 0.00 H new ATOM 0 HA CYS A 165 3.505 -4.489 -2.081 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.065 -4.410 -2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.505 -4.413 -4.377 1.00 0.00 H new ATOM 0 HG CYS A 165 0.810 -7.076 -3.244 1.00 0.00 H new ATOM 504 N GLN A 166 5.261 -5.066 -3.788 1.00 0.00 N ATOM 505 CA GLN A 166 6.316 -5.384 -4.792 1.00 0.00 C ATOM 506 C GLN A 166 6.024 -6.715 -5.499 1.00 0.00 C ATOM 507 O GLN A 166 6.905 -7.306 -6.095 1.00 0.00 O ATOM 508 CB GLN A 166 7.663 -5.478 -4.077 1.00 0.00 C ATOM 509 CG GLN A 166 7.577 -6.500 -2.941 1.00 0.00 C ATOM 510 CD GLN A 166 8.988 -6.927 -2.530 1.00 0.00 C ATOM 511 OE1 GLN A 166 9.338 -6.869 -1.369 1.00 0.00 O ATOM 512 NE2 GLN A 166 9.816 -7.358 -3.442 1.00 0.00 N ATOM 0 H GLN A 166 5.449 -5.407 -2.845 1.00 0.00 H new ATOM 0 HA GLN A 166 6.334 -4.595 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 166 8.440 -5.770 -4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.943 -4.502 -3.680 1.00 0.00 H new ATOM 0 HG2 GLN A 166 7.053 -6.068 -2.088 1.00 0.00 H new ATOM 0 HG3 GLN A 166 7.002 -7.369 -3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 166 9.521 -7.406 -4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 166 10.758 -7.647 -3.180 1.00 0.00 H new ATOM 521 N THR A 167 4.803 -7.186 -5.450 1.00 0.00 N ATOM 522 CA THR A 167 4.466 -8.468 -6.129 1.00 0.00 C ATOM 523 C THR A 167 3.477 -8.193 -7.264 1.00 0.00 C ATOM 524 O THR A 167 3.516 -8.833 -8.297 1.00 0.00 O ATOM 525 CB THR A 167 3.848 -9.434 -5.128 1.00 0.00 C ATOM 526 OG1 THR A 167 4.337 -9.151 -3.825 1.00 0.00 O ATOM 527 CG2 THR A 167 4.207 -10.869 -5.511 1.00 0.00 C ATOM 0 H THR A 167 4.026 -6.735 -4.967 1.00 0.00 H new ATOM 0 HA THR A 167 5.373 -8.914 -6.537 1.00 0.00 H new ATOM 0 HB THR A 167 2.764 -9.318 -5.138 1.00 0.00 H new ATOM 0 HG1 THR A 167 4.065 -9.865 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 167 3.764 -11.559 -4.793 1.00 0.00 H new ATOM 0 HG22 THR A 167 3.823 -11.086 -6.508 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.291 -10.987 -5.506 1.00 0.00 H new ATOM 535 N CYS A 168 2.594 -7.242 -7.076 1.00 0.00 N ATOM 536 CA CYS A 168 1.604 -6.919 -8.143 1.00 0.00 C ATOM 537 C CYS A 168 1.784 -5.466 -8.610 1.00 0.00 C ATOM 538 O CYS A 168 1.465 -5.133 -9.736 1.00 0.00 O ATOM 539 CB CYS A 168 0.178 -7.126 -7.609 1.00 0.00 C ATOM 540 SG CYS A 168 -0.112 -6.065 -6.168 1.00 0.00 S ATOM 0 H CYS A 168 2.519 -6.678 -6.230 1.00 0.00 H new ATOM 0 HA CYS A 168 1.768 -7.583 -8.992 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -0.547 -6.897 -8.390 1.00 0.00 H new ATOM 0 HB3 CYS A 168 0.033 -8.171 -7.335 1.00 0.00 H new ATOM 0 HG CYS A 168 0.735 -6.367 -5.229 1.00 0.00 H new ATOM 545 N GLY A 169 2.286 -4.599 -7.758 1.00 0.00 N ATOM 546 CA GLY A 169 2.475 -3.176 -8.163 1.00 0.00 C ATOM 547 C GLY A 169 1.387 -2.324 -7.514 1.00 0.00 C ATOM 548 O GLY A 169 0.676 -1.596 -8.183 1.00 0.00 O ATOM 0 H GLY A 169 2.571 -4.820 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.460 -2.825 -7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.427 -3.084 -9.248 1.00 0.00 H new ATOM 552 N TYR A 170 1.256 -2.406 -6.214 1.00 0.00 N ATOM 553 CA TYR A 170 0.213 -1.597 -5.512 1.00 0.00 C ATOM 554 C TYR A 170 0.877 -0.350 -4.928 1.00 0.00 C ATOM 555 O TYR A 170 2.087 -0.282 -4.832 1.00 0.00 O ATOM 556 CB TYR A 170 -0.428 -2.434 -4.395 1.00 0.00 C ATOM 557 CG TYR A 170 -1.932 -2.267 -4.418 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.645 -2.463 -5.608 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.614 -1.918 -3.247 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.037 -2.309 -5.627 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.005 -1.763 -3.264 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.716 -1.957 -4.454 1.00 0.00 C ATOM 563 OH TYR A 170 -6.088 -1.804 -4.471 1.00 0.00 O ATOM 0 H TYR A 170 1.825 -2.997 -5.609 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.569 -1.301 -6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.169 -3.485 -4.523 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.035 -2.125 -3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.120 -2.733 -6.512 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.066 -1.768 -2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.586 -2.461 -6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.530 -1.494 -2.359 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.475 -2.395 -5.150 1.00 0.00 H new ATOM 573 N LYS A 171 0.107 0.644 -4.555 1.00 0.00 N ATOM 574 CA LYS A 171 0.718 1.888 -4.002 1.00 0.00 C ATOM 575 C LYS A 171 -0.332 2.641 -3.186 1.00 0.00 C ATOM 576 O LYS A 171 -1.370 2.998 -3.714 1.00 0.00 O ATOM 577 CB LYS A 171 1.192 2.751 -5.178 1.00 0.00 C ATOM 578 CG LYS A 171 0.012 3.068 -6.102 1.00 0.00 C ATOM 579 CD LYS A 171 0.502 3.144 -7.552 1.00 0.00 C ATOM 580 CE LYS A 171 -0.568 2.579 -8.493 1.00 0.00 C ATOM 581 NZ LYS A 171 0.060 1.609 -9.435 1.00 0.00 N ATOM 0 H LYS A 171 -0.912 0.646 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 171 1.562 1.650 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.633 3.676 -4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 171 1.970 2.228 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.755 2.299 -6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.446 4.013 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 171 0.723 4.178 -7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 171 1.429 2.582 -7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 171 -1.351 2.087 -7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -1.042 3.388 -9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 -0.666 1.226 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 0.792 2.092 -9.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 0.492 0.832 -8.896 1.00 0.00 H new ATOM 595 N PHE A 172 -0.098 2.879 -1.907 1.00 0.00 N ATOM 596 CA PHE A 172 -1.142 3.596 -1.117 1.00 0.00 C ATOM 597 C PHE A 172 -0.622 4.082 0.264 1.00 0.00 C ATOM 598 O PHE A 172 0.282 3.515 0.844 1.00 0.00 O ATOM 599 CB PHE A 172 -2.357 2.661 -1.006 1.00 0.00 C ATOM 600 CG PHE A 172 -2.135 1.543 -0.006 1.00 0.00 C ATOM 601 CD1 PHE A 172 -2.154 1.809 1.364 1.00 0.00 C ATOM 602 CD2 PHE A 172 -1.952 0.235 -0.456 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.986 0.778 2.287 1.00 0.00 C ATOM 604 CE2 PHE A 172 -1.780 -0.804 0.463 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.798 -0.535 1.837 1.00 0.00 C ATOM 0 H PHE A 172 0.745 2.614 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.430 4.514 -1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.232 3.240 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.573 2.232 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.300 2.821 1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.943 0.025 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -2.001 0.991 3.346 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -1.633 -1.815 0.113 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.667 -1.338 2.548 1.00 0.00 H new ATOM 615 N HIS A 173 -1.192 5.172 0.751 1.00 0.00 N ATOM 616 CA HIS A 173 -0.764 5.799 2.066 1.00 0.00 C ATOM 617 C HIS A 173 -1.408 5.074 3.299 1.00 0.00 C ATOM 618 O HIS A 173 -1.479 3.866 3.338 1.00 0.00 O ATOM 619 CB HIS A 173 -1.168 7.295 2.091 1.00 0.00 C ATOM 620 CG HIS A 173 -1.311 7.889 0.744 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.533 7.887 0.061 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.444 8.606 -0.004 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.330 8.621 -1.041 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.074 9.073 -1.119 1.00 0.00 N ATOM 0 H HIS A 173 -1.953 5.666 0.284 1.00 0.00 H new ATOM 0 HA HIS A 173 0.319 5.697 2.139 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.111 7.400 2.628 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.419 7.856 2.650 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.592 8.783 0.244 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.091 8.824 -1.780 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.671 9.648 -1.859 1.00 0.00 H new ATOM 632 N GLU A 174 -1.845 5.806 4.330 1.00 0.00 N ATOM 633 CA GLU A 174 -2.445 5.157 5.543 1.00 0.00 C ATOM 634 C GLU A 174 -3.979 5.056 5.419 1.00 0.00 C ATOM 635 O GLU A 174 -4.609 4.301 6.135 1.00 0.00 O ATOM 636 CB GLU A 174 -2.097 5.983 6.785 1.00 0.00 C ATOM 637 CG GLU A 174 -2.560 7.428 6.585 1.00 0.00 C ATOM 638 CD GLU A 174 -2.651 8.127 7.943 1.00 0.00 C ATOM 639 OE1 GLU A 174 -1.642 8.653 8.385 1.00 0.00 O ATOM 640 OE2 GLU A 174 -3.727 8.126 8.516 1.00 0.00 O ATOM 0 H GLU A 174 -1.805 6.824 4.368 1.00 0.00 H new ATOM 0 HA GLU A 174 -2.037 4.150 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.577 5.555 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -1.022 5.956 6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -1.862 7.958 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -3.531 7.445 6.090 1.00 0.00 H new ATOM 647 N HIS A 175 -4.586 5.777 4.499 1.00 0.00 N ATOM 648 CA HIS A 175 -6.078 5.688 4.309 1.00 0.00 C ATOM 649 C HIS A 175 -6.388 4.546 3.348 1.00 0.00 C ATOM 650 O HIS A 175 -7.367 4.588 2.619 1.00 0.00 O ATOM 651 CB HIS A 175 -6.571 6.957 3.615 1.00 0.00 C ATOM 652 CG HIS A 175 -6.661 8.087 4.604 1.00 0.00 C ATOM 653 ND1 HIS A 175 -7.596 8.093 5.650 1.00 0.00 N ATOM 654 CD2 HIS A 175 -5.948 9.252 4.727 1.00 0.00 C ATOM 655 CE1 HIS A 175 -7.401 9.235 6.335 1.00 0.00 C ATOM 656 NE2 HIS A 175 -6.410 9.964 5.806 1.00 0.00 N ATOM 0 H HIS A 175 -4.112 6.425 3.870 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.549 5.546 5.282 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.892 7.225 2.806 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.548 6.779 3.165 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -5.145 9.562 4.074 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -7.973 9.527 7.203 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -6.068 10.866 6.138 1.00 0.00 H new ATOM 664 N CYS A 176 -5.512 3.591 3.247 1.00 0.00 N ATOM 665 CA CYS A 176 -5.688 2.547 2.241 1.00 0.00 C ATOM 666 C CYS A 176 -5.040 1.244 2.711 1.00 0.00 C ATOM 667 O CYS A 176 -4.661 0.406 1.916 1.00 0.00 O ATOM 668 CB CYS A 176 -5.042 3.068 0.935 1.00 0.00 C ATOM 669 SG CYS A 176 -4.125 4.666 1.185 1.00 0.00 S ATOM 0 H CYS A 176 -4.679 3.499 3.829 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.743 2.328 2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.356 2.315 0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.817 3.211 0.182 1.00 0.00 H new ATOM 0 HG CYS A 176 -3.845 5.191 0.029 1.00 0.00 H new ATOM 674 N SER A 177 -4.943 1.059 4.006 1.00 0.00 N ATOM 675 CA SER A 177 -4.350 -0.194 4.555 1.00 0.00 C ATOM 676 C SER A 177 -5.443 -0.945 5.320 1.00 0.00 C ATOM 677 O SER A 177 -6.263 -0.340 5.985 1.00 0.00 O ATOM 678 CB SER A 177 -3.187 0.139 5.501 1.00 0.00 C ATOM 679 OG SER A 177 -2.827 1.509 5.361 1.00 0.00 O ATOM 0 H SER A 177 -5.253 1.730 4.709 1.00 0.00 H new ATOM 0 HA SER A 177 -3.965 -0.810 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 177 -3.475 -0.067 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 177 -2.330 -0.496 5.276 1.00 0.00 H new ATOM 0 HG SER A 177 -2.086 1.716 5.968 1.00 0.00 H new ATOM 685 N THR A 178 -5.473 -2.251 5.224 1.00 0.00 N ATOM 686 CA THR A 178 -6.530 -3.037 5.936 1.00 0.00 C ATOM 687 C THR A 178 -7.919 -2.587 5.460 1.00 0.00 C ATOM 688 O THR A 178 -8.909 -2.783 6.139 1.00 0.00 O ATOM 689 CB THR A 178 -6.410 -2.810 7.446 1.00 0.00 C ATOM 690 OG1 THR A 178 -5.038 -2.719 7.802 1.00 0.00 O ATOM 691 CG2 THR A 178 -7.055 -3.979 8.192 1.00 0.00 C ATOM 0 H THR A 178 -4.811 -2.808 4.683 1.00 0.00 H new ATOM 0 HA THR A 178 -6.398 -4.096 5.716 1.00 0.00 H new ATOM 0 HB THR A 178 -6.918 -1.884 7.716 1.00 0.00 H new ATOM 0 HG1 THR A 178 -4.960 -2.572 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 178 -6.969 -3.817 9.266 1.00 0.00 H new ATOM 0 HG22 THR A 178 -8.108 -4.049 7.918 1.00 0.00 H new ATOM 0 HG23 THR A 178 -6.548 -4.906 7.923 1.00 0.00 H new ATOM 699 N LYS A 179 -7.996 -1.983 4.297 1.00 0.00 N ATOM 700 CA LYS A 179 -9.309 -1.516 3.766 1.00 0.00 C ATOM 701 C LYS A 179 -9.466 -1.998 2.320 1.00 0.00 C ATOM 702 O LYS A 179 -10.515 -2.465 1.922 1.00 0.00 O ATOM 703 CB LYS A 179 -9.358 0.019 3.806 1.00 0.00 C ATOM 704 CG LYS A 179 -10.305 0.483 4.921 1.00 0.00 C ATOM 705 CD LYS A 179 -11.096 1.706 4.450 1.00 0.00 C ATOM 706 CE LYS A 179 -11.309 2.663 5.624 1.00 0.00 C ATOM 707 NZ LYS A 179 -11.647 4.019 5.106 1.00 0.00 N ATOM 0 H LYS A 179 -7.197 -1.794 3.691 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.118 -1.919 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -8.358 0.419 3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -9.697 0.406 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -10.988 -0.323 5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -9.735 0.729 5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -10.559 2.212 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -12.058 1.395 4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -12.111 2.297 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -10.408 2.710 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -11.792 4.669 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -10.868 4.368 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -12.518 3.967 4.540 1.00 0.00 H new ATOM 721 N VAL A 180 -8.422 -1.885 1.533 1.00 0.00 N ATOM 722 CA VAL A 180 -8.486 -2.332 0.107 1.00 0.00 C ATOM 723 C VAL A 180 -8.959 -3.810 0.047 1.00 0.00 C ATOM 724 O VAL A 180 -8.363 -4.652 0.688 1.00 0.00 O ATOM 725 CB VAL A 180 -7.083 -2.187 -0.507 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.083 -3.061 0.254 1.00 0.00 C ATOM 727 CG2 VAL A 180 -7.112 -2.604 -1.981 1.00 0.00 C ATOM 0 H VAL A 180 -7.523 -1.499 1.821 1.00 0.00 H new ATOM 0 HA VAL A 180 -9.195 -1.723 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.774 -1.144 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.093 -2.951 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.050 -2.751 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.393 -4.104 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -6.115 -2.499 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -7.432 -3.643 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -7.810 -1.968 -2.526 1.00 0.00 H new