USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 310 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 161 CYS SG : rot -160:sc= -0.914 USER MOD Set 1.2: A 164 CYS SG : rot 140:sc= -3.56! USER MOD Set 1.3: A 166 SER OG : rot 160:sc= -0.106 USER MOD Set 1.4: A 169 HIS : no HD1:sc= -2.3! K(o=-6.2!,f=-6.8) USER MOD Set 1.5: A 174 CYS SG : rot -146:sc= 0.634 USER MOD Set 2.1: A 139 CYS SG : rot 162:sc= -2.13 USER MOD Set 2.2: A 142 CYS SG : rot 70:sc= -0.826! USER MOD Set 2.3: A 147 HIS : no HD1:sc= -2 X(o=-4.9,f=-5.2) USER MOD Set 2.4: A 152 CYS SG : rot 82:sc= 0.0154 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.373 K(o=-0.37,f=-2.5!) USER MOD Single : A 148 HIS : no HD1:sc=-0.00438 X(o=-0.0044,f=-0.0029) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= -0.871 K(o=-0.87,f=-1.8) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS : no HD1:sc= -9.23! C(o=-9.2!,f=-6.3!) USER MOD Single : A 165 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ -159:sc= -0.0551 (180deg=-0.626) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 137 -17.235 7.020 -1.795 1.00 0.00 N ATOM 67 CA ASP A 137 -15.870 6.526 -1.656 1.00 0.00 C ATOM 68 C ASP A 137 -14.870 7.678 -1.667 1.00 0.00 C ATOM 69 O ASP A 137 -14.637 8.301 -2.703 1.00 0.00 O ATOM 70 CB ASP A 137 -15.545 5.542 -2.781 1.00 0.00 C ATOM 71 CG ASP A 137 -14.053 5.334 -2.956 1.00 0.00 C ATOM 72 OD1 ASP A 137 -13.304 5.573 -1.986 1.00 0.00 O ATOM 73 OD2 ASP A 137 -13.635 4.934 -4.063 1.00 0.00 O ATOM 0 HA ASP A 137 -15.792 6.011 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -16.020 4.584 -2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -15.970 5.910 -3.715 1.00 0.00 H new ATOM 78 N ARG A 138 -14.284 7.956 -0.507 1.00 0.00 N ATOM 79 CA ARG A 138 -13.311 9.035 -0.382 1.00 0.00 C ATOM 80 C ARG A 138 -11.959 8.498 0.077 1.00 0.00 C ATOM 81 O ARG A 138 -11.819 7.312 0.377 1.00 0.00 O ATOM 82 CB ARG A 138 -13.813 10.092 0.603 1.00 0.00 C ATOM 83 CG ARG A 138 -14.070 9.549 2.000 1.00 0.00 C ATOM 84 CD ARG A 138 -15.032 10.436 2.774 1.00 0.00 C ATOM 85 NE ARG A 138 -14.432 11.721 3.124 1.00 0.00 N ATOM 86 CZ ARG A 138 -15.136 12.786 3.491 1.00 0.00 C ATOM 87 NH1 ARG A 138 -16.459 12.720 3.555 1.00 0.00 N ATOM 88 NH2 ARG A 138 -14.517 13.919 3.795 1.00 0.00 N ATOM 0 H ARG A 138 -14.466 7.449 0.359 1.00 0.00 H new ATOM 0 HA ARG A 138 -13.186 9.493 -1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -13.080 10.897 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -14.734 10.528 0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -14.479 8.541 1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -13.127 9.474 2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -15.928 10.605 2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -15.346 9.923 3.683 1.00 0.00 H new ATOM 0 HE ARG A 138 -13.416 11.805 3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -16.938 11.850 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -16.997 13.539 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -13.500 13.973 3.747 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -15.058 14.736 4.077 1.00 0.00 H new ATOM 102 N CYS A 139 -10.965 9.378 0.128 1.00 0.00 N ATOM 103 CA CYS A 139 -9.623 8.994 0.549 1.00 0.00 C ATOM 104 C CYS A 139 -9.649 8.362 1.938 1.00 0.00 C ATOM 105 O CYS A 139 -10.129 8.966 2.898 1.00 0.00 O ATOM 106 CB CYS A 139 -8.697 10.212 0.549 1.00 0.00 C ATOM 107 SG CYS A 139 -7.102 9.933 1.384 1.00 0.00 S ATOM 0 H CYS A 139 -11.064 10.363 -0.117 1.00 0.00 H new ATOM 0 HA CYS A 139 -9.244 8.258 -0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.508 10.511 -0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -9.208 11.044 1.034 1.00 0.00 H new ATOM 0 HG CYS A 139 -6.252 10.843 1.011 1.00 0.00 H new ATOM 112 N TYR A 140 -9.130 7.143 2.037 1.00 0.00 N ATOM 113 CA TYR A 140 -9.095 6.428 3.307 1.00 0.00 C ATOM 114 C TYR A 140 -7.791 6.701 4.051 1.00 0.00 C ATOM 115 O TYR A 140 -7.229 5.812 4.688 1.00 0.00 O ATOM 116 CB TYR A 140 -9.257 4.925 3.075 1.00 0.00 C ATOM 117 CG TYR A 140 -8.500 4.414 1.869 1.00 0.00 C ATOM 118 CD1 TYR A 140 -7.113 4.478 1.817 1.00 0.00 C ATOM 119 CD2 TYR A 140 -9.172 3.868 0.783 1.00 0.00 C ATOM 120 CE1 TYR A 140 -6.417 4.012 0.718 1.00 0.00 C ATOM 121 CE2 TYR A 140 -8.485 3.399 -0.320 1.00 0.00 C ATOM 122 CZ TYR A 140 -7.108 3.473 -0.348 1.00 0.00 C ATOM 123 OH TYR A 140 -6.419 3.009 -1.445 1.00 0.00 O ATOM 0 H TYR A 140 -8.728 6.630 1.253 1.00 0.00 H new ATOM 0 HA TYR A 140 -9.923 6.786 3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -8.916 4.390 3.961 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -10.316 4.697 2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -6.570 4.899 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -10.250 3.809 0.801 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -5.339 4.069 0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -9.023 2.977 -1.156 1.00 0.00 H new ATOM 0 HH TYR A 140 -7.053 2.660 -2.106 1.00 0.00 H new ATOM 133 N ASN A 141 -7.317 7.940 3.964 1.00 0.00 N ATOM 134 CA ASN A 141 -6.079 8.332 4.629 1.00 0.00 C ATOM 135 C ASN A 141 -6.287 9.592 5.465 1.00 0.00 C ATOM 136 O ASN A 141 -6.094 9.582 6.681 1.00 0.00 O ATOM 137 CB ASN A 141 -4.974 8.568 3.597 1.00 0.00 C ATOM 138 CG ASN A 141 -3.596 8.620 4.227 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.407 9.227 5.282 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.626 7.983 3.582 1.00 0.00 N ATOM 0 H ASN A 141 -7.771 8.689 3.440 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.779 7.521 5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.000 7.772 2.852 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.166 9.503 3.071 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.678 7.983 3.958 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.829 7.493 2.711 1.00 0.00 H new ATOM 147 N CYS A 142 -6.681 10.675 4.804 1.00 0.00 N ATOM 148 CA CYS A 142 -6.915 11.943 5.485 1.00 0.00 C ATOM 149 C CYS A 142 -8.405 12.272 5.526 1.00 0.00 C ATOM 150 O CYS A 142 -8.938 12.659 6.565 1.00 0.00 O ATOM 151 CB CYS A 142 -6.152 13.070 4.785 1.00 0.00 C ATOM 152 SG CYS A 142 -6.802 13.496 3.137 1.00 0.00 S ATOM 0 H CYS A 142 -6.845 10.700 3.798 1.00 0.00 H new ATOM 0 HA CYS A 142 -6.553 11.849 6.509 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -6.179 13.959 5.415 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -5.106 12.780 4.687 1.00 0.00 H new ATOM 0 HG CYS A 142 -7.958 14.076 3.263 1.00 0.00 H new ATOM 157 N GLY A 143 -9.072 12.114 4.386 1.00 0.00 N ATOM 158 CA GLY A 143 -10.493 12.397 4.313 1.00 0.00 C ATOM 159 C GLY A 143 -10.820 13.457 3.279 1.00 0.00 C ATOM 160 O GLY A 143 -11.647 14.335 3.521 1.00 0.00 O ATOM 0 H GLY A 143 -8.653 11.795 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.031 11.480 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -10.846 12.726 5.290 1.00 0.00 H new ATOM 164 N GLY A 144 -10.169 13.375 2.123 1.00 0.00 N ATOM 165 CA GLY A 144 -10.408 14.341 1.067 1.00 0.00 C ATOM 166 C GLY A 144 -11.405 13.844 0.040 1.00 0.00 C ATOM 167 O GLY A 144 -11.344 12.690 -0.387 1.00 0.00 O ATOM 0 H GLY A 144 -9.480 12.657 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -10.775 15.270 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.465 14.573 0.571 1.00 0.00 H new ATOM 171 N LEU A 145 -12.328 14.713 -0.356 1.00 0.00 N ATOM 172 CA LEU A 145 -13.345 14.355 -1.338 1.00 0.00 C ATOM 173 C LEU A 145 -12.883 14.700 -2.751 1.00 0.00 C ATOM 174 O LEU A 145 -13.185 13.983 -3.705 1.00 0.00 O ATOM 175 CB LEU A 145 -14.657 15.077 -1.029 1.00 0.00 C ATOM 176 CG LEU A 145 -15.493 14.492 0.109 1.00 0.00 C ATOM 177 CD1 LEU A 145 -16.554 15.485 0.559 1.00 0.00 C ATOM 178 CD2 LEU A 145 -16.136 13.181 -0.321 1.00 0.00 C ATOM 0 H LEU A 145 -12.393 15.671 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.507 13.279 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.429 16.116 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -15.266 15.085 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 145 -14.832 14.291 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -17.139 15.050 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -16.073 16.398 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -17.212 15.719 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -16.727 12.779 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -16.783 13.358 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -15.359 12.466 -0.593 1.00 0.00 H new ATOM 190 N ASP A 146 -12.147 15.799 -2.875 1.00 0.00 N ATOM 191 CA ASP A 146 -11.640 16.237 -4.171 1.00 0.00 C ATOM 192 C ASP A 146 -10.581 15.271 -4.694 1.00 0.00 C ATOM 193 O ASP A 146 -10.677 14.777 -5.818 1.00 0.00 O ATOM 194 CB ASP A 146 -11.055 17.646 -4.064 1.00 0.00 C ATOM 195 CG ASP A 146 -10.053 17.773 -2.933 1.00 0.00 C ATOM 196 OD1 ASP A 146 -10.466 17.666 -1.760 1.00 0.00 O ATOM 197 OD2 ASP A 146 -8.856 17.980 -3.222 1.00 0.00 O ATOM 0 H ASP A 146 -11.888 16.403 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.473 16.251 -4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -10.571 17.908 -5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.863 18.361 -3.911 1.00 0.00 H new ATOM 202 N HIS A 147 -9.570 15.008 -3.872 1.00 0.00 N ATOM 203 CA HIS A 147 -8.492 14.102 -4.252 1.00 0.00 C ATOM 204 C HIS A 147 -8.788 12.679 -3.787 1.00 0.00 C ATOM 205 O HIS A 147 -9.594 12.466 -2.880 1.00 0.00 O ATOM 206 CB HIS A 147 -7.165 14.578 -3.660 1.00 0.00 C ATOM 207 CG HIS A 147 -7.045 14.337 -2.187 1.00 0.00 C ATOM 208 ND1 HIS A 147 -7.088 15.350 -1.252 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.886 13.189 -1.487 1.00 0.00 C ATOM 210 CE1 HIS A 147 -6.958 14.836 -0.042 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.834 13.526 -0.157 1.00 0.00 N ATOM 0 H HIS A 147 -9.475 15.409 -2.939 1.00 0.00 H new ATOM 0 HA HIS A 147 -8.418 14.102 -5.339 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.346 14.071 -4.171 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -7.051 15.644 -3.856 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -6.814 12.193 -1.898 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -6.954 15.392 0.884 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -6.718 12.871 0.616 1.00 0.00 H new ATOM 219 N HIS A 148 -8.133 11.708 -4.415 1.00 0.00 N ATOM 220 CA HIS A 148 -8.327 10.305 -4.066 1.00 0.00 C ATOM 221 C HIS A 148 -7.199 9.808 -3.168 1.00 0.00 C ATOM 222 O HIS A 148 -6.148 10.440 -3.067 1.00 0.00 O ATOM 223 CB HIS A 148 -8.403 9.449 -5.331 1.00 0.00 C ATOM 224 CG HIS A 148 -9.565 9.785 -6.213 1.00 0.00 C ATOM 225 ND1 HIS A 148 -10.705 9.011 -6.283 1.00 0.00 N ATOM 226 CD2 HIS A 148 -9.761 10.819 -7.064 1.00 0.00 C ATOM 227 CE1 HIS A 148 -11.551 9.555 -7.140 1.00 0.00 C ATOM 228 NE2 HIS A 148 -11.002 10.653 -7.628 1.00 0.00 N ATOM 0 H HIS A 148 -7.463 11.867 -5.168 1.00 0.00 H new ATOM 0 HA HIS A 148 -9.267 10.218 -3.521 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -7.480 9.571 -5.898 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -8.466 8.399 -5.046 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -9.070 11.625 -7.263 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -12.526 9.168 -7.398 1.00 0.00 H new ATOM 0 HE2 HIS A 148 -11.430 11.276 -8.313 1.00 0.00 H new ATOM 236 N ALA A 149 -7.425 8.672 -2.516 1.00 0.00 N ATOM 237 CA ALA A 149 -6.427 8.090 -1.627 1.00 0.00 C ATOM 238 C ALA A 149 -5.090 7.917 -2.340 1.00 0.00 C ATOM 239 O ALA A 149 -4.040 8.281 -1.811 1.00 0.00 O ATOM 240 CB ALA A 149 -6.916 6.754 -1.087 1.00 0.00 C ATOM 0 H ALA A 149 -8.290 8.137 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 149 -6.278 8.774 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -6.161 6.331 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -7.843 6.903 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -7.095 6.070 -1.916 1.00 0.00 H new ATOM 246 N LYS A 150 -5.136 7.357 -3.545 1.00 0.00 N ATOM 247 CA LYS A 150 -3.929 7.136 -4.332 1.00 0.00 C ATOM 248 C LYS A 150 -3.216 8.454 -4.618 1.00 0.00 C ATOM 249 O LYS A 150 -2.000 8.559 -4.459 1.00 0.00 O ATOM 250 CB LYS A 150 -4.275 6.435 -5.648 1.00 0.00 C ATOM 251 CG LYS A 150 -5.294 7.187 -6.487 1.00 0.00 C ATOM 252 CD LYS A 150 -5.540 6.493 -7.817 1.00 0.00 C ATOM 253 CE LYS A 150 -6.339 5.211 -7.637 1.00 0.00 C ATOM 254 NZ LYS A 150 -6.233 4.321 -8.826 1.00 0.00 N ATOM 0 H LYS A 150 -5.997 7.048 -3.997 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.260 6.500 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -3.363 6.303 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.660 5.439 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -6.232 7.266 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.942 8.203 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -6.076 7.166 -8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.586 6.265 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.982 4.681 -6.754 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -7.386 5.457 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.791 3.458 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -6.597 4.817 -9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -5.237 4.065 -8.980 1.00 0.00 H new ATOM 268 N GLU A 151 -3.981 9.456 -5.038 1.00 0.00 N ATOM 269 CA GLU A 151 -3.421 10.767 -5.345 1.00 0.00 C ATOM 270 C GLU A 151 -2.847 11.420 -4.091 1.00 0.00 C ATOM 271 O GLU A 151 -1.797 12.063 -4.136 1.00 0.00 O ATOM 272 CB GLU A 151 -4.491 11.672 -5.960 1.00 0.00 C ATOM 273 CG GLU A 151 -4.825 11.327 -7.401 1.00 0.00 C ATOM 274 CD GLU A 151 -5.311 12.526 -8.191 1.00 0.00 C ATOM 275 OE1 GLU A 151 -4.586 13.542 -8.234 1.00 0.00 O ATOM 276 OE2 GLU A 151 -6.416 12.448 -8.767 1.00 0.00 O ATOM 0 H GLU A 151 -4.989 9.385 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 151 -2.614 10.630 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -5.399 11.607 -5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -4.151 12.707 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -3.941 10.912 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -5.591 10.552 -7.417 1.00 0.00 H new ATOM 283 N CYS A 152 -3.543 11.252 -2.971 1.00 0.00 N ATOM 284 CA CYS A 152 -3.105 11.825 -1.704 1.00 0.00 C ATOM 285 C CYS A 152 -1.583 11.797 -1.592 1.00 0.00 C ATOM 286 O CYS A 152 -0.920 10.951 -2.193 1.00 0.00 O ATOM 287 CB CYS A 152 -3.727 11.062 -0.533 1.00 0.00 C ATOM 288 SG CYS A 152 -3.745 11.990 1.034 1.00 0.00 S ATOM 0 H CYS A 152 -4.413 10.723 -2.916 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.436 12.863 -1.670 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.750 10.790 -0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.177 10.132 -0.386 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.764 12.797 1.049 1.00 0.00 H new ATOM 293 N LYS A 153 -1.035 12.727 -0.818 1.00 0.00 N ATOM 294 CA LYS A 153 0.407 12.810 -0.624 1.00 0.00 C ATOM 295 C LYS A 153 0.816 12.174 0.701 1.00 0.00 C ATOM 296 O LYS A 153 1.830 11.480 0.781 1.00 0.00 O ATOM 297 CB LYS A 153 0.865 14.270 -0.663 1.00 0.00 C ATOM 298 CG LYS A 153 0.676 14.930 -2.018 1.00 0.00 C ATOM 299 CD LYS A 153 1.829 14.615 -2.957 1.00 0.00 C ATOM 300 CE LYS A 153 1.391 14.661 -4.413 1.00 0.00 C ATOM 301 NZ LYS A 153 2.526 14.405 -5.342 1.00 0.00 N ATOM 0 H LYS A 153 -1.569 13.435 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 153 0.889 12.262 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.313 14.836 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.919 14.319 -0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -0.260 14.590 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.594 16.009 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 153 2.636 15.330 -2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 153 2.227 13.627 -2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 153 0.610 13.919 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 153 0.956 15.637 -4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 2.186 14.445 -6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 3.261 15.127 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 2.925 13.464 -5.152 1.00 0.00 H new ATOM 315 N LEU A 154 0.020 12.414 1.737 1.00 0.00 N ATOM 316 CA LEU A 154 0.298 11.863 3.059 1.00 0.00 C ATOM 317 C LEU A 154 0.823 10.434 2.954 1.00 0.00 C ATOM 318 O LEU A 154 0.585 9.730 1.973 1.00 0.00 O ATOM 319 CB LEU A 154 -0.965 11.892 3.921 1.00 0.00 C ATOM 320 CG LEU A 154 -1.355 13.254 4.495 1.00 0.00 C ATOM 321 CD1 LEU A 154 -2.710 13.177 5.181 1.00 0.00 C ATOM 322 CD2 LEU A 154 -0.292 13.749 5.465 1.00 0.00 C ATOM 0 H LEU A 154 -0.823 12.986 1.687 1.00 0.00 H new ATOM 0 HA LEU A 154 1.065 12.479 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.797 11.520 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -0.832 11.196 4.749 1.00 0.00 H new ATOM 0 HG LEU A 154 -1.427 13.965 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -2.970 14.156 5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -3.466 12.868 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -2.666 12.451 5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -0.587 14.720 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -0.187 13.037 6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.660 13.845 4.943 1.00 0.00 H new ATOM 334 N PRO A 155 1.554 9.995 3.990 1.00 0.00 N ATOM 335 CA PRO A 155 2.125 8.646 4.039 1.00 0.00 C ATOM 336 C PRO A 155 1.058 7.570 4.208 1.00 0.00 C ATOM 337 O PRO A 155 0.311 7.551 5.186 1.00 0.00 O ATOM 338 CB PRO A 155 3.038 8.692 5.267 1.00 0.00 C ATOM 339 CG PRO A 155 2.457 9.758 6.130 1.00 0.00 C ATOM 340 CD PRO A 155 1.877 10.780 5.192 1.00 0.00 C ATOM 0 HA PRO A 155 2.643 8.389 3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.057 7.732 5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 155 4.066 8.925 4.988 1.00 0.00 H new ATOM 0 HG2 PRO A 155 1.689 9.352 6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 155 3.221 10.203 6.768 1.00 0.00 H new ATOM 0 HD2 PRO A 155 0.990 11.254 5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 155 2.590 11.575 4.973 1.00 0.00 H new ATOM 348 N PRO A 156 0.984 6.651 3.234 1.00 0.00 N ATOM 349 CA PRO A 156 0.012 5.553 3.253 1.00 0.00 C ATOM 350 C PRO A 156 0.321 4.524 4.335 1.00 0.00 C ATOM 351 O PRO A 156 1.386 3.908 4.331 1.00 0.00 O ATOM 352 CB PRO A 156 0.155 4.928 1.864 1.00 0.00 C ATOM 353 CG PRO A 156 1.542 5.267 1.437 1.00 0.00 C ATOM 354 CD PRO A 156 1.843 6.611 2.039 1.00 0.00 C ATOM 0 HA PRO A 156 -0.996 5.905 3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 156 0.004 3.849 1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -0.583 5.332 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 156 2.252 4.516 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 156 1.619 5.300 0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 156 2.897 6.708 2.299 1.00 0.00 H new ATOM 0 HD3 PRO A 156 1.609 7.422 1.349 1.00 0.00 H new ATOM 362 N GLN A 157 -0.617 4.344 5.259 1.00 0.00 N ATOM 363 CA GLN A 157 -0.443 3.389 6.347 1.00 0.00 C ATOM 364 C GLN A 157 0.147 2.080 5.833 1.00 0.00 C ATOM 365 O GLN A 157 0.047 1.747 4.652 1.00 0.00 O ATOM 366 CB GLN A 157 -1.781 3.122 7.039 1.00 0.00 C ATOM 367 CG GLN A 157 -2.191 4.214 8.014 1.00 0.00 C ATOM 368 CD GLN A 157 -1.016 4.768 8.796 1.00 0.00 C ATOM 369 OE1 GLN A 157 -0.441 4.083 9.642 1.00 0.00 O ATOM 370 NE2 GLN A 157 -0.654 6.015 8.518 1.00 0.00 N ATOM 0 H GLN A 157 -1.505 4.846 5.276 1.00 0.00 H new ATOM 0 HA GLN A 157 0.251 3.821 7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.557 3.013 6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.721 2.174 7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -2.672 5.024 7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -2.930 3.817 8.709 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -1.159 6.547 7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 157 0.129 6.441 9.014 1.00 0.00 H new ATOM 379 N PRO A 158 0.776 1.318 6.740 1.00 0.00 N ATOM 380 CA PRO A 158 1.395 0.032 6.401 1.00 0.00 C ATOM 381 C PRO A 158 0.361 -1.040 6.074 1.00 0.00 C ATOM 382 O PRO A 158 0.687 -2.224 5.982 1.00 0.00 O ATOM 383 CB PRO A 158 2.164 -0.337 7.672 1.00 0.00 C ATOM 384 CG PRO A 158 1.448 0.374 8.768 1.00 0.00 C ATOM 385 CD PRO A 158 0.933 1.652 8.165 1.00 0.00 C ATOM 0 HA PRO A 158 2.022 0.103 5.512 1.00 0.00 H new ATOM 0 HB2 PRO A 158 2.166 -1.415 7.835 1.00 0.00 H new ATOM 0 HB3 PRO A 158 3.206 -0.022 7.610 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.629 -0.232 9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 158 2.118 0.579 9.603 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -0.013 1.955 8.613 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.633 2.475 8.310 1.00 0.00 H new ATOM 393 N LYS A 159 -0.886 -0.618 5.897 1.00 0.00 N ATOM 394 CA LYS A 159 -1.969 -1.541 5.578 1.00 0.00 C ATOM 395 C LYS A 159 -1.539 -2.531 4.499 1.00 0.00 C ATOM 396 O LYS A 159 -0.479 -2.381 3.891 1.00 0.00 O ATOM 397 CB LYS A 159 -3.205 -0.769 5.113 1.00 0.00 C ATOM 398 CG LYS A 159 -3.929 -0.046 6.236 1.00 0.00 C ATOM 399 CD LYS A 159 -4.893 0.998 5.698 1.00 0.00 C ATOM 400 CE LYS A 159 -6.084 1.187 6.624 1.00 0.00 C ATOM 401 NZ LYS A 159 -7.135 0.158 6.394 1.00 0.00 N ATOM 0 H LYS A 159 -1.172 0.358 5.969 1.00 0.00 H new ATOM 0 HA LYS A 159 -2.216 -2.099 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -2.906 -0.042 4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -3.896 -1.462 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -4.475 -0.769 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.201 0.433 6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -4.372 1.947 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -5.243 0.697 4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -5.749 1.139 7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -6.508 2.179 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -7.930 0.322 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -7.473 0.220 5.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -6.738 -0.788 6.564 1.00 0.00 H new ATOM 415 N LYS A 160 -2.369 -3.542 4.266 1.00 0.00 N ATOM 416 CA LYS A 160 -2.078 -4.555 3.259 1.00 0.00 C ATOM 417 C LYS A 160 -2.508 -4.084 1.873 1.00 0.00 C ATOM 418 O LYS A 160 -3.460 -3.316 1.735 1.00 0.00 O ATOM 419 CB LYS A 160 -2.785 -5.867 3.606 1.00 0.00 C ATOM 420 CG LYS A 160 -4.300 -5.759 3.606 1.00 0.00 C ATOM 421 CD LYS A 160 -4.941 -6.912 4.361 1.00 0.00 C ATOM 422 CE LYS A 160 -5.128 -8.128 3.467 1.00 0.00 C ATOM 423 NZ LYS A 160 -5.893 -9.207 4.151 1.00 0.00 N ATOM 0 H LYS A 160 -3.250 -3.682 4.762 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.001 -4.722 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -2.484 -6.633 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -2.453 -6.200 4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -4.598 -4.814 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -4.665 -5.748 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -4.319 -7.179 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -5.907 -6.597 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -5.651 -7.833 2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -4.153 -8.510 3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -5.999 -10.018 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -5.382 -9.507 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -6.833 -8.851 4.417 1.00 0.00 H new ATOM 437 N CYS A 161 -1.801 -4.551 0.849 1.00 0.00 N ATOM 438 CA CYS A 161 -2.110 -4.179 -0.526 1.00 0.00 C ATOM 439 C CYS A 161 -3.618 -4.152 -0.757 1.00 0.00 C ATOM 440 O CYS A 161 -4.307 -5.151 -0.548 1.00 0.00 O ATOM 441 CB CYS A 161 -1.450 -5.156 -1.501 1.00 0.00 C ATOM 442 SG CYS A 161 -1.966 -4.939 -3.235 1.00 0.00 S ATOM 0 H CYS A 161 -1.010 -5.188 0.946 1.00 0.00 H new ATOM 0 HA CYS A 161 -1.716 -3.178 -0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 161 -0.368 -5.040 -1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -1.680 -6.175 -1.189 1.00 0.00 H new ATOM 0 HG CYS A 161 -1.711 -6.025 -3.903 1.00 0.00 H new ATOM 447 N HIS A 162 -4.124 -3.002 -1.190 1.00 0.00 N ATOM 448 CA HIS A 162 -5.551 -2.844 -1.450 1.00 0.00 C ATOM 449 C HIS A 162 -5.899 -3.305 -2.862 1.00 0.00 C ATOM 450 O HIS A 162 -6.800 -2.760 -3.500 1.00 0.00 O ATOM 451 CB HIS A 162 -5.968 -1.386 -1.260 1.00 0.00 C ATOM 452 CG HIS A 162 -5.386 -0.458 -2.282 1.00 0.00 C ATOM 453 ND1 HIS A 162 -4.293 0.345 -2.033 1.00 0.00 N ATOM 454 CD2 HIS A 162 -5.750 -0.210 -3.561 1.00 0.00 C ATOM 455 CE1 HIS A 162 -4.011 1.048 -3.115 1.00 0.00 C ATOM 456 NE2 HIS A 162 -4.880 0.730 -4.057 1.00 0.00 N ATOM 0 H HIS A 162 -3.568 -2.166 -1.368 1.00 0.00 H new ATOM 0 HA HIS A 162 -6.096 -3.465 -0.739 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -7.055 -1.320 -1.299 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -5.664 -1.056 -0.267 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -6.572 -0.666 -4.093 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -3.206 1.762 -3.213 1.00 0.00 H new ATOM 0 HE2 HIS A 162 -4.902 1.119 -5.000 1.00 0.00 H new ATOM 464 N PHE A 163 -5.180 -4.313 -3.345 1.00 0.00 N ATOM 465 CA PHE A 163 -5.412 -4.846 -4.683 1.00 0.00 C ATOM 466 C PHE A 163 -5.571 -6.363 -4.643 1.00 0.00 C ATOM 467 O PHE A 163 -6.574 -6.905 -5.108 1.00 0.00 O ATOM 468 CB PHE A 163 -4.257 -4.467 -5.613 1.00 0.00 C ATOM 469 CG PHE A 163 -4.588 -4.617 -7.070 1.00 0.00 C ATOM 470 CD1 PHE A 163 -5.435 -3.718 -7.698 1.00 0.00 C ATOM 471 CD2 PHE A 163 -4.052 -5.657 -7.813 1.00 0.00 C ATOM 472 CE1 PHE A 163 -5.741 -3.852 -9.039 1.00 0.00 C ATOM 473 CE2 PHE A 163 -4.355 -5.796 -9.154 1.00 0.00 C ATOM 474 CZ PHE A 163 -5.201 -4.893 -9.768 1.00 0.00 C ATOM 0 H PHE A 163 -4.432 -4.777 -2.830 1.00 0.00 H new ATOM 0 HA PHE A 163 -6.335 -4.411 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -3.968 -3.434 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -3.393 -5.089 -5.379 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -5.861 -2.903 -7.133 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -3.390 -6.367 -7.339 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -6.402 -3.143 -9.516 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -3.930 -6.611 -9.722 1.00 0.00 H new ATOM 0 HZ PHE A 163 -5.440 -5.001 -10.816 1.00 0.00 H new ATOM 484 N CYS A 164 -4.575 -7.042 -4.085 1.00 0.00 N ATOM 485 CA CYS A 164 -4.603 -8.497 -3.985 1.00 0.00 C ATOM 486 C CYS A 164 -4.361 -8.947 -2.547 1.00 0.00 C ATOM 487 O CYS A 164 -3.886 -10.057 -2.306 1.00 0.00 O ATOM 488 CB CYS A 164 -3.550 -9.112 -4.908 1.00 0.00 C ATOM 489 SG CYS A 164 -1.832 -8.759 -4.417 1.00 0.00 S ATOM 0 H CYS A 164 -3.738 -6.609 -3.695 1.00 0.00 H new ATOM 0 HA CYS A 164 -5.591 -8.840 -4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -3.694 -10.192 -4.936 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -3.710 -8.743 -5.921 1.00 0.00 H new ATOM 0 HG CYS A 164 -1.104 -9.822 -4.590 1.00 0.00 H new ATOM 494 N GLN A 165 -4.691 -8.079 -1.597 1.00 0.00 N ATOM 495 CA GLN A 165 -4.509 -8.388 -0.183 1.00 0.00 C ATOM 496 C GLN A 165 -3.194 -9.125 0.047 1.00 0.00 C ATOM 497 O GLN A 165 -3.118 -10.036 0.872 1.00 0.00 O ATOM 498 CB GLN A 165 -5.677 -9.230 0.331 1.00 0.00 C ATOM 499 CG GLN A 165 -7.027 -8.545 0.197 1.00 0.00 C ATOM 500 CD GLN A 165 -8.159 -9.364 0.785 1.00 0.00 C ATOM 501 OE1 GLN A 165 -7.963 -10.507 1.200 1.00 0.00 O ATOM 502 NE2 GLN A 165 -9.352 -8.784 0.824 1.00 0.00 N ATOM 0 H GLN A 165 -5.086 -7.156 -1.780 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.479 -7.448 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -5.702 -10.173 -0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -5.505 -9.473 1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -6.989 -7.576 0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -7.231 -8.355 -0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -9.470 -7.835 0.469 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -10.151 -9.287 1.209 1.00 0.00 H new ATOM 511 N SER A 166 -2.160 -8.726 -0.687 1.00 0.00 N ATOM 512 CA SER A 166 -0.849 -9.352 -0.565 1.00 0.00 C ATOM 513 C SER A 166 -0.003 -8.640 0.487 1.00 0.00 C ATOM 514 O SER A 166 0.874 -7.841 0.156 1.00 0.00 O ATOM 515 CB SER A 166 -0.126 -9.337 -1.913 1.00 0.00 C ATOM 516 OG SER A 166 1.261 -9.577 -1.751 1.00 0.00 O ATOM 0 H SER A 166 -2.205 -7.972 -1.372 1.00 0.00 H new ATOM 0 HA SER A 166 -0.995 -10.385 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 166 -0.555 -10.095 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.277 -8.373 -2.399 1.00 0.00 H new ATOM 0 HG SER A 166 1.642 -9.878 -2.602 1.00 0.00 H new ATOM 522 N ILE A 167 -0.272 -8.936 1.753 1.00 0.00 N ATOM 523 CA ILE A 167 0.464 -8.326 2.853 1.00 0.00 C ATOM 524 C ILE A 167 1.962 -8.303 2.567 1.00 0.00 C ATOM 525 O ILE A 167 2.699 -7.492 3.126 1.00 0.00 O ATOM 526 CB ILE A 167 0.218 -9.072 4.178 1.00 0.00 C ATOM 527 CG1 ILE A 167 0.648 -10.535 4.052 1.00 0.00 C ATOM 528 CG2 ILE A 167 -1.248 -8.978 4.575 1.00 0.00 C ATOM 529 CD1 ILE A 167 0.631 -11.285 5.366 1.00 0.00 C ATOM 0 H ILE A 167 -0.995 -9.595 2.043 1.00 0.00 H new ATOM 0 HA ILE A 167 0.098 -7.303 2.948 1.00 0.00 H new ATOM 0 HB ILE A 167 0.817 -8.602 4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 167 -0.012 -11.040 3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 167 1.653 -10.575 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -1.406 -9.510 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -1.525 -7.931 4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -1.865 -9.425 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 167 0.947 -12.315 5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 167 1.312 -10.804 6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 167 -0.379 -11.276 5.777 1.00 0.00 H new ATOM 541 N SER A 168 2.404 -9.199 1.690 1.00 0.00 N ATOM 542 CA SER A 168 3.815 -9.284 1.330 1.00 0.00 C ATOM 543 C SER A 168 4.297 -7.975 0.711 1.00 0.00 C ATOM 544 O SER A 168 5.104 -7.256 1.302 1.00 0.00 O ATOM 545 CB SER A 168 4.045 -10.438 0.352 1.00 0.00 C ATOM 546 OG SER A 168 5.413 -10.538 -0.005 1.00 0.00 O ATOM 0 H SER A 168 1.806 -9.876 1.216 1.00 0.00 H new ATOM 0 HA SER A 168 4.386 -9.468 2.240 1.00 0.00 H new ATOM 0 HB2 SER A 168 3.714 -11.373 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 168 3.442 -10.286 -0.543 1.00 0.00 H new ATOM 0 HG SER A 168 5.535 -11.284 -0.629 1.00 0.00 H new ATOM 552 N HIS A 169 3.796 -7.672 -0.482 1.00 0.00 N ATOM 553 CA HIS A 169 4.174 -6.449 -1.182 1.00 0.00 C ATOM 554 C HIS A 169 3.109 -5.372 -1.008 1.00 0.00 C ATOM 555 O HIS A 169 2.032 -5.631 -0.471 1.00 0.00 O ATOM 556 CB HIS A 169 4.391 -6.734 -2.669 1.00 0.00 C ATOM 557 CG HIS A 169 3.127 -7.050 -3.408 1.00 0.00 C ATOM 558 ND1 HIS A 169 2.970 -8.182 -4.179 1.00 0.00 N ATOM 559 CD2 HIS A 169 1.956 -6.376 -3.489 1.00 0.00 C ATOM 560 CE1 HIS A 169 1.757 -8.190 -4.704 1.00 0.00 C ATOM 561 NE2 HIS A 169 1.122 -7.105 -4.301 1.00 0.00 N ATOM 0 H HIS A 169 3.128 -8.256 -0.984 1.00 0.00 H new ATOM 0 HA HIS A 169 5.106 -6.085 -0.750 1.00 0.00 H new ATOM 0 HB2 HIS A 169 4.866 -5.868 -3.131 1.00 0.00 H new ATOM 0 HB3 HIS A 169 5.082 -7.570 -2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 169 1.721 -5.439 -3.005 1.00 0.00 H new ATOM 0 HE1 HIS A 169 1.354 -8.954 -5.352 1.00 0.00 H new ATOM 0 HE2 HIS A 169 0.167 -6.850 -4.552 1.00 0.00 H new ATOM 569 N MET A 170 3.417 -4.162 -1.464 1.00 0.00 N ATOM 570 CA MET A 170 2.485 -3.045 -1.358 1.00 0.00 C ATOM 571 C MET A 170 1.892 -2.701 -2.721 1.00 0.00 C ATOM 572 O MET A 170 2.513 -2.940 -3.757 1.00 0.00 O ATOM 573 CB MET A 170 3.188 -1.820 -0.770 1.00 0.00 C ATOM 574 CG MET A 170 3.474 -1.940 0.718 1.00 0.00 C ATOM 575 SD MET A 170 4.851 -3.048 1.074 1.00 0.00 S ATOM 576 CE MET A 170 4.239 -3.892 2.530 1.00 0.00 C ATOM 0 H MET A 170 4.304 -3.930 -1.910 1.00 0.00 H new ATOM 0 HA MET A 170 1.674 -3.343 -0.693 1.00 0.00 H new ATOM 0 HB2 MET A 170 4.127 -1.660 -1.300 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.570 -0.939 -0.943 1.00 0.00 H new ATOM 0 HG2 MET A 170 3.694 -0.952 1.122 1.00 0.00 H new ATOM 0 HG3 MET A 170 2.581 -2.301 1.228 1.00 0.00 H new ATOM 0 HE1 MET A 170 4.981 -4.613 2.871 1.00 0.00 H new ATOM 0 HE2 MET A 170 4.050 -3.165 3.319 1.00 0.00 H new ATOM 0 HE3 MET A 170 3.313 -4.413 2.286 1.00 0.00 H new ATOM 586 N VAL A 171 0.688 -2.139 -2.713 1.00 0.00 N ATOM 587 CA VAL A 171 0.012 -1.762 -3.948 1.00 0.00 C ATOM 588 C VAL A 171 0.939 -0.968 -4.861 1.00 0.00 C ATOM 589 O VAL A 171 0.807 -1.008 -6.084 1.00 0.00 O ATOM 590 CB VAL A 171 -1.250 -0.926 -3.665 1.00 0.00 C ATOM 591 CG1 VAL A 171 -0.874 0.433 -3.093 1.00 0.00 C ATOM 592 CG2 VAL A 171 -2.081 -0.769 -4.930 1.00 0.00 C ATOM 0 H VAL A 171 0.160 -1.935 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 171 -0.278 -2.688 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 171 -1.853 -1.451 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -1.779 1.009 -2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -0.325 0.296 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -0.249 0.968 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -2.969 -0.176 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -1.488 -0.267 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -2.382 -1.752 -5.292 1.00 0.00 H new ATOM 602 N ALA A 172 1.879 -0.247 -4.259 1.00 0.00 N ATOM 603 CA ALA A 172 2.831 0.555 -5.018 1.00 0.00 C ATOM 604 C ALA A 172 3.740 -0.329 -5.865 1.00 0.00 C ATOM 605 O ALA A 172 4.159 0.060 -6.955 1.00 0.00 O ATOM 606 CB ALA A 172 3.659 1.421 -4.079 1.00 0.00 C ATOM 0 H ALA A 172 2.002 -0.202 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 172 2.268 1.203 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 172 4.366 2.014 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 172 3.000 2.086 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 172 4.206 0.784 -3.384 1.00 0.00 H new ATOM 612 N SER A 173 4.043 -1.519 -5.356 1.00 0.00 N ATOM 613 CA SER A 173 4.906 -2.456 -6.064 1.00 0.00 C ATOM 614 C SER A 173 4.081 -3.521 -6.780 1.00 0.00 C ATOM 615 O SER A 173 4.541 -4.136 -7.743 1.00 0.00 O ATOM 616 CB SER A 173 5.881 -3.120 -5.090 1.00 0.00 C ATOM 617 OG SER A 173 6.872 -2.204 -4.656 1.00 0.00 O ATOM 0 H SER A 173 3.703 -1.857 -4.455 1.00 0.00 H new ATOM 0 HA SER A 173 5.472 -1.897 -6.810 1.00 0.00 H new ATOM 0 HB2 SER A 173 5.334 -3.504 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 173 6.357 -3.974 -5.572 1.00 0.00 H new ATOM 0 HG SER A 173 7.482 -2.652 -4.033 1.00 0.00 H new ATOM 623 N CYS A 174 2.859 -3.733 -6.303 1.00 0.00 N ATOM 624 CA CYS A 174 1.968 -4.723 -6.895 1.00 0.00 C ATOM 625 C CYS A 174 2.101 -4.735 -8.416 1.00 0.00 C ATOM 626 O CYS A 174 1.744 -3.777 -9.102 1.00 0.00 O ATOM 627 CB CYS A 174 0.518 -4.435 -6.501 1.00 0.00 C ATOM 628 SG CYS A 174 -0.632 -5.806 -6.844 1.00 0.00 S ATOM 0 H CYS A 174 2.463 -3.232 -5.508 1.00 0.00 H new ATOM 0 HA CYS A 174 2.253 -5.704 -6.515 1.00 0.00 H new ATOM 0 HB2 CYS A 174 0.481 -4.202 -5.437 1.00 0.00 H new ATOM 0 HB3 CYS A 174 0.177 -3.547 -7.034 1.00 0.00 H new ATOM 0 HG CYS A 174 -1.796 -5.326 -7.166 1.00 0.00 H new ATOM 633 N PRO A 175 2.626 -5.845 -8.955 1.00 0.00 N ATOM 634 CA PRO A 175 2.818 -6.009 -10.399 1.00 0.00 C ATOM 635 C PRO A 175 1.496 -6.153 -11.146 1.00 0.00 C ATOM 636 O PRO A 175 1.276 -5.504 -12.170 1.00 0.00 O ATOM 637 CB PRO A 175 3.635 -7.299 -10.504 1.00 0.00 C ATOM 638 CG PRO A 175 3.306 -8.058 -9.265 1.00 0.00 C ATOM 639 CD PRO A 175 3.073 -7.025 -8.197 1.00 0.00 C ATOM 0 HA PRO A 175 3.305 -5.143 -10.847 1.00 0.00 H new ATOM 0 HB2 PRO A 175 3.369 -7.864 -11.397 1.00 0.00 H new ATOM 0 HB3 PRO A 175 4.702 -7.088 -10.567 1.00 0.00 H new ATOM 0 HG2 PRO A 175 2.420 -8.677 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.121 -8.728 -8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 175 2.319 -7.351 -7.480 1.00 0.00 H new ATOM 0 HD3 PRO A 175 3.982 -6.819 -7.632 1.00 0.00 H new ATOM 647 N LEU A 176 0.620 -7.007 -10.630 1.00 0.00 N ATOM 648 CA LEU A 176 -0.681 -7.236 -11.248 1.00 0.00 C ATOM 649 C LEU A 176 -1.348 -5.915 -11.620 1.00 0.00 C ATOM 650 O LEU A 176 -1.945 -5.788 -12.688 1.00 0.00 O ATOM 651 CB LEU A 176 -1.585 -8.028 -10.302 1.00 0.00 C ATOM 652 CG LEU A 176 -1.015 -9.346 -9.775 1.00 0.00 C ATOM 653 CD1 LEU A 176 -1.756 -9.785 -8.522 1.00 0.00 C ATOM 654 CD2 LEU A 176 -1.089 -10.425 -10.846 1.00 0.00 C ATOM 0 H LEU A 176 0.787 -7.553 -9.785 1.00 0.00 H new ATOM 0 HA LEU A 176 -0.526 -7.813 -12.160 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -1.829 -7.394 -9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -2.521 -8.241 -10.819 1.00 0.00 H new ATOM 0 HG LEU A 176 0.032 -9.189 -9.517 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.337 -10.724 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.651 -9.021 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.812 -9.924 -8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -0.679 -11.356 -10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -2.128 -10.580 -11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -0.512 -10.113 -11.717 1.00 0.00 H new ATOM 666 N LYS A 177 -1.240 -4.934 -10.731 1.00 0.00 N ATOM 667 CA LYS A 177 -1.828 -3.620 -10.965 1.00 0.00 C ATOM 668 C LYS A 177 -1.139 -2.915 -12.128 1.00 0.00 C ATOM 669 O LYS A 177 -1.795 -2.327 -12.987 1.00 0.00 O ATOM 670 CB LYS A 177 -1.729 -2.761 -9.703 1.00 0.00 C ATOM 671 CG LYS A 177 -2.634 -1.542 -9.724 1.00 0.00 C ATOM 672 CD LYS A 177 -2.044 -0.396 -8.919 1.00 0.00 C ATOM 673 CE LYS A 177 -1.157 0.491 -9.780 1.00 0.00 C ATOM 674 NZ LYS A 177 0.256 0.022 -9.787 1.00 0.00 N ATOM 0 H LYS A 177 -0.750 -5.024 -9.841 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.879 -3.760 -11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -1.979 -3.373 -8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.697 -2.435 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -2.791 -1.222 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -3.611 -1.806 -9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -2.849 0.200 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -1.464 -0.795 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -1.540 0.506 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -1.198 1.515 -9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 0.880 0.805 -10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 0.517 -0.307 -8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 0.359 -0.760 -10.464 1.00 0.00 H new ATOM 688 N ALA A 178 0.189 -2.979 -12.151 1.00 0.00 N ATOM 689 CA ALA A 178 0.966 -2.349 -13.210 1.00 0.00 C ATOM 690 C ALA A 178 0.672 -2.991 -14.562 1.00 0.00 C ATOM 691 O ALA A 178 0.343 -2.302 -15.527 1.00 0.00 O ATOM 692 CB ALA A 178 2.453 -2.434 -12.896 1.00 0.00 C ATOM 0 H ALA A 178 0.748 -3.461 -11.447 1.00 0.00 H new ATOM 0 HA ALA A 178 0.677 -1.300 -13.264 1.00 0.00 H new ATOM 0 HB1 ALA A 178 3.021 -1.959 -13.696 1.00 0.00 H new ATOM 0 HB2 ALA A 178 2.656 -1.924 -11.954 1.00 0.00 H new ATOM 0 HB3 ALA A 178 2.748 -3.480 -12.813 1.00 0.00 H new