USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 359 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 130 GLN : amide:sc= -1.34 X(o=-2.1,f=-2) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.723 K(o=-2.1,f=-5.8!) USER MOD Set 2.1: A 131 CYS SG : rot 4:sc= -0.0555 USER MOD Set 2.2: A 136 CYS SG : rot 148:sc= 0.931 USER MOD Set 2.3: A 163 CYS SG : rot -125:sc= -0.1 USER MOD Set 2.4: A 166 CYS SG : rot 147:sc= 1.12 USER MOD Set 3.1: A 117 CYS SG : rot -80:sc= 0.31 USER MOD Set 3.2: A 119 CYS SG : rot -77:sc= 0.0803 USER MOD Set 3.3: A 141 HIS : no HE2:sc= -2.57 K(o=-2.7,f=-3.5) USER MOD Set 3.4: A 144 CYS SG : rot -170:sc= -0.489 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -54:sc= 0.925 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl -161:sc= -0.0125 (180deg=-0.228) USER MOD Single : A 125 ASN : amide:sc= -4.16 K(o=-4.2,f=-9.9!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 140 GLN : amide:sc= -0.701 K(o=-0.7,f=-2.9!) USER MOD Single : A 143 ASN :FLIP amide:sc= -0.035 F(o=-0.82,f=-0.035) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.694 11.093 -4.158 1.00 0.00 N ATOM 94 CA GLU A 112 -2.021 10.082 -5.156 1.00 0.00 C ATOM 95 C GLU A 112 -0.885 9.074 -5.302 1.00 0.00 C ATOM 96 O GLU A 112 -1.016 8.073 -6.006 1.00 0.00 O ATOM 97 CB GLU A 112 -2.308 10.742 -6.507 1.00 0.00 C ATOM 98 CG GLU A 112 -3.695 11.354 -6.602 1.00 0.00 C ATOM 99 CD GLU A 112 -3.661 12.869 -6.669 1.00 0.00 C ATOM 100 OE1 GLU A 112 -2.844 13.410 -7.442 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.451 13.513 -5.947 1.00 0.00 O ATOM 0 HA GLU A 112 -2.913 9.552 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.564 11.518 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.193 9.999 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.199 10.966 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.284 11.045 -5.738 1.00 0.00 H new ATOM 108 N ALA A 113 0.230 9.346 -4.631 1.00 0.00 N ATOM 109 CA ALA A 113 1.388 8.463 -4.684 1.00 0.00 C ATOM 110 C ALA A 113 2.192 8.533 -3.390 1.00 0.00 C ATOM 111 O ALA A 113 3.207 9.225 -3.314 1.00 0.00 O ATOM 112 CB ALA A 113 2.268 8.818 -5.874 1.00 0.00 C ATOM 0 H ALA A 113 0.355 10.171 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 113 1.029 7.441 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.129 8.151 -5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.695 8.710 -6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.610 9.848 -5.779 1.00 0.00 H new ATOM 118 N LYS A 114 1.730 7.814 -2.373 1.00 0.00 N ATOM 119 CA LYS A 114 2.405 7.793 -1.081 1.00 0.00 C ATOM 120 C LYS A 114 2.820 6.374 -0.706 1.00 0.00 C ATOM 121 O LYS A 114 1.974 5.512 -0.468 1.00 0.00 O ATOM 122 CB LYS A 114 1.494 8.373 0.003 1.00 0.00 C ATOM 123 CG LYS A 114 2.026 8.179 1.413 1.00 0.00 C ATOM 124 CD LYS A 114 1.353 9.121 2.397 1.00 0.00 C ATOM 125 CE LYS A 114 0.217 8.434 3.139 1.00 0.00 C ATOM 126 NZ LYS A 114 -1.067 9.174 2.996 1.00 0.00 N ATOM 0 H LYS A 114 0.890 7.237 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 114 3.303 8.406 -1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.357 9.439 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.511 7.908 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.863 7.148 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.103 8.349 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.089 9.486 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.968 9.990 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.096 7.420 2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.472 8.350 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.816 8.674 3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.959 10.134 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.324 9.232 1.990 1.00 0.00 H new ATOM 140 N VAL A 115 4.127 6.138 -0.654 1.00 0.00 N ATOM 141 CA VAL A 115 4.654 4.824 -0.306 1.00 0.00 C ATOM 142 C VAL A 115 4.652 4.614 1.204 1.00 0.00 C ATOM 143 O VAL A 115 5.513 5.133 1.914 1.00 0.00 O ATOM 144 CB VAL A 115 6.087 4.635 -0.838 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.536 3.192 -0.661 1.00 0.00 C ATOM 146 CG2 VAL A 115 6.173 5.053 -2.298 1.00 0.00 C ATOM 0 H VAL A 115 4.841 6.840 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 115 4.001 4.087 -0.773 1.00 0.00 H new ATOM 0 HB VAL A 115 6.757 5.273 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.551 3.077 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.515 2.931 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.865 2.532 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.193 4.913 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.492 4.443 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.896 6.103 -2.393 1.00 0.00 H new ATOM 156 N ARG A 116 3.679 3.849 1.688 1.00 0.00 N ATOM 157 CA ARG A 116 3.564 3.571 3.115 1.00 0.00 C ATOM 158 C ARG A 116 3.532 2.068 3.374 1.00 0.00 C ATOM 159 O ARG A 116 2.468 1.447 3.359 1.00 0.00 O ATOM 160 CB ARG A 116 2.304 4.225 3.684 1.00 0.00 C ATOM 161 CG ARG A 116 2.532 5.633 4.208 1.00 0.00 C ATOM 162 CD ARG A 116 2.468 5.680 5.727 1.00 0.00 C ATOM 163 NE ARG A 116 1.258 6.346 6.203 1.00 0.00 N ATOM 164 CZ ARG A 116 0.914 6.416 7.484 1.00 0.00 C ATOM 165 NH1 ARG A 116 1.684 5.864 8.412 1.00 0.00 N ATOM 166 NH2 ARG A 116 -0.202 7.039 7.840 1.00 0.00 N ATOM 0 H ARG A 116 2.959 3.411 1.113 1.00 0.00 H new ATOM 0 HA ARG A 116 4.438 3.990 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.539 4.255 2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.916 3.604 4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.504 5.994 3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.781 6.304 3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.503 4.665 6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.344 6.202 6.111 1.00 0.00 H new ATOM 0 HE ARG A 116 0.644 6.781 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 116 2.543 5.384 8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 116 1.417 5.919 9.395 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -0.797 7.465 7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.465 7.092 8.824 1.00 0.00 H new ATOM 180 N CYS A 117 4.704 1.488 3.612 1.00 0.00 N ATOM 181 CA CYS A 117 4.811 0.058 3.874 1.00 0.00 C ATOM 182 C CYS A 117 5.212 -0.201 5.323 1.00 0.00 C ATOM 183 O CYS A 117 5.799 0.661 5.979 1.00 0.00 O ATOM 184 CB CYS A 117 5.831 -0.580 2.929 1.00 0.00 C ATOM 185 SG CYS A 117 5.769 -2.400 2.886 1.00 0.00 S ATOM 0 H CYS A 117 5.593 1.987 3.629 1.00 0.00 H new ATOM 0 HA CYS A 117 3.834 -0.392 3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.666 -0.198 1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.832 -0.268 3.228 1.00 0.00 H new ATOM 0 HG CYS A 117 6.400 -2.880 3.916 1.00 0.00 H new ATOM 190 N ILE A 118 4.893 -1.393 5.816 1.00 0.00 N ATOM 191 CA ILE A 118 5.221 -1.766 7.186 1.00 0.00 C ATOM 192 C ILE A 118 6.724 -1.686 7.432 1.00 0.00 C ATOM 193 O ILE A 118 7.171 -1.557 8.572 1.00 0.00 O ATOM 194 CB ILE A 118 4.733 -3.189 7.514 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.192 -4.171 6.434 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.218 -3.212 7.650 1.00 0.00 C ATOM 197 CD1 ILE A 118 5.031 -5.622 6.829 1.00 0.00 C ATOM 0 H ILE A 118 4.407 -2.117 5.287 1.00 0.00 H new ATOM 0 HA ILE A 118 4.710 -1.057 7.838 1.00 0.00 H new ATOM 0 HB ILE A 118 5.168 -3.496 8.465 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.625 -3.986 5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.240 -3.980 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.889 -4.225 7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.914 -2.539 8.452 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.764 -2.888 6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.376 -6.261 6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.620 -5.823 7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.980 -5.829 7.032 1.00 0.00 H new ATOM 209 N CYS A 119 7.499 -1.762 6.356 1.00 0.00 N ATOM 210 CA CYS A 119 8.952 -1.697 6.453 1.00 0.00 C ATOM 211 C CYS A 119 9.429 -0.249 6.512 1.00 0.00 C ATOM 212 O CYS A 119 10.623 0.017 6.649 1.00 0.00 O ATOM 213 CB CYS A 119 9.596 -2.409 5.262 1.00 0.00 C ATOM 214 SG CYS A 119 9.207 -1.660 3.648 1.00 0.00 S ATOM 0 H CYS A 119 7.145 -1.869 5.406 1.00 0.00 H new ATOM 0 HA CYS A 119 9.252 -2.198 7.373 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.678 -2.414 5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.271 -3.449 5.255 1.00 0.00 H new ATOM 0 HG CYS A 119 8.004 -1.999 3.291 1.00 0.00 H new ATOM 219 N SER A 120 8.487 0.683 6.409 1.00 0.00 N ATOM 220 CA SER A 120 8.811 2.105 6.447 1.00 0.00 C ATOM 221 C SER A 120 9.892 2.443 5.425 1.00 0.00 C ATOM 222 O SER A 120 10.782 3.251 5.691 1.00 0.00 O ATOM 223 CB SER A 120 9.275 2.506 7.849 1.00 0.00 C ATOM 224 OG SER A 120 10.642 2.189 8.044 1.00 0.00 O ATOM 0 H SER A 120 7.494 0.480 6.299 1.00 0.00 H new ATOM 0 HA SER A 120 7.910 2.665 6.196 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.122 3.575 7.994 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.669 1.993 8.596 1.00 0.00 H new ATOM 0 HG SER A 120 10.789 1.240 7.849 1.00 0.00 H new ATOM 230 N SER A 121 9.807 1.819 4.254 1.00 0.00 N ATOM 231 CA SER A 121 10.779 2.050 3.193 1.00 0.00 C ATOM 232 C SER A 121 10.093 2.561 1.929 1.00 0.00 C ATOM 233 O SER A 121 9.282 1.861 1.322 1.00 0.00 O ATOM 234 CB SER A 121 11.546 0.763 2.885 1.00 0.00 C ATOM 235 OG SER A 121 12.723 1.034 2.145 1.00 0.00 O ATOM 0 H SER A 121 9.075 1.150 4.017 1.00 0.00 H new ATOM 0 HA SER A 121 11.481 2.809 3.537 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.806 0.260 3.816 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.908 0.082 2.322 1.00 0.00 H new ATOM 0 HG SER A 121 13.195 0.195 1.963 1.00 0.00 H new ATOM 241 N THR A 122 10.423 3.788 1.539 1.00 0.00 N ATOM 242 CA THR A 122 9.839 4.395 0.350 1.00 0.00 C ATOM 243 C THR A 122 10.718 4.162 -0.874 1.00 0.00 C ATOM 244 O THR A 122 10.758 4.987 -1.787 1.00 0.00 O ATOM 245 CB THR A 122 9.630 5.910 0.537 1.00 0.00 C ATOM 246 OG1 THR A 122 10.897 6.575 0.597 1.00 0.00 O ATOM 247 CG2 THR A 122 8.841 6.194 1.806 1.00 0.00 C ATOM 0 H THR A 122 11.092 4.381 2.030 1.00 0.00 H new ATOM 0 HA THR A 122 8.871 3.919 0.195 1.00 0.00 H new ATOM 0 HB THR A 122 9.064 6.285 -0.315 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.756 7.538 0.714 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.706 7.270 1.917 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.866 5.710 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 122 9.385 5.806 2.667 1.00 0.00 H new ATOM 255 N MET A 123 11.420 3.034 -0.887 1.00 0.00 N ATOM 256 CA MET A 123 12.296 2.692 -2.001 1.00 0.00 C ATOM 257 C MET A 123 11.560 1.843 -3.032 1.00 0.00 C ATOM 258 O MET A 123 10.379 1.536 -2.868 1.00 0.00 O ATOM 259 CB MET A 123 13.531 1.944 -1.496 1.00 0.00 C ATOM 260 CG MET A 123 14.820 2.741 -1.626 1.00 0.00 C ATOM 261 SD MET A 123 16.131 1.810 -2.442 1.00 0.00 S ATOM 262 CE MET A 123 16.293 0.411 -1.335 1.00 0.00 C ATOM 0 H MET A 123 11.399 2.341 -0.139 1.00 0.00 H new ATOM 0 HA MET A 123 12.612 3.619 -2.479 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.382 1.678 -0.450 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.633 1.011 -2.051 1.00 0.00 H new ATOM 0 HG2 MET A 123 14.623 3.654 -2.188 1.00 0.00 H new ATOM 0 HG3 MET A 123 15.157 3.044 -0.635 1.00 0.00 H new ATOM 0 HE1 MET A 123 17.257 -0.071 -1.496 1.00 0.00 H new ATOM 0 HE2 MET A 123 16.227 0.754 -0.303 1.00 0.00 H new ATOM 0 HE3 MET A 123 15.493 -0.303 -1.532 1.00 0.00 H new ATOM 272 N VAL A 124 12.264 1.466 -4.094 1.00 0.00 N ATOM 273 CA VAL A 124 11.677 0.651 -5.151 1.00 0.00 C ATOM 274 C VAL A 124 11.926 -0.833 -4.904 1.00 0.00 C ATOM 275 O VAL A 124 12.923 -1.390 -5.361 1.00 0.00 O ATOM 276 CB VAL A 124 12.242 1.032 -6.533 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.482 0.313 -7.637 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.190 2.539 -6.732 1.00 0.00 C ATOM 0 H VAL A 124 13.242 1.712 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 124 10.604 0.843 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 124 13.285 0.718 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.895 0.594 -8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.576 -0.764 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.429 0.593 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.593 2.791 -7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.157 2.879 -6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.783 3.029 -5.960 1.00 0.00 H new ATOM 288 N ASN A 125 11.012 -1.468 -4.177 1.00 0.00 N ATOM 289 CA ASN A 125 11.132 -2.888 -3.869 1.00 0.00 C ATOM 290 C ASN A 125 10.976 -3.734 -5.129 1.00 0.00 C ATOM 291 O ASN A 125 10.986 -3.212 -6.244 1.00 0.00 O ATOM 292 CB ASN A 125 10.083 -3.297 -2.833 1.00 0.00 C ATOM 293 CG ASN A 125 8.720 -3.536 -3.455 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.248 -2.741 -4.267 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.082 -4.637 -3.074 1.00 0.00 N ATOM 0 H ASN A 125 10.180 -1.021 -3.790 1.00 0.00 H new ATOM 0 HA ASN A 125 12.126 -3.062 -3.458 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.412 -4.204 -2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.002 -2.518 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.162 -4.852 -3.458 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.512 -5.268 -2.398 1.00 0.00 H new ATOM 302 N ASP A 126 10.832 -5.041 -4.943 1.00 0.00 N ATOM 303 CA ASP A 126 10.672 -5.960 -6.064 1.00 0.00 C ATOM 304 C ASP A 126 9.422 -5.620 -6.871 1.00 0.00 C ATOM 305 O ASP A 126 9.419 -5.715 -8.098 1.00 0.00 O ATOM 306 CB ASP A 126 10.593 -7.402 -5.562 1.00 0.00 C ATOM 307 CG ASP A 126 11.914 -8.134 -5.695 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.228 -8.595 -6.813 1.00 0.00 O ATOM 309 OD2 ASP A 126 12.634 -8.246 -4.681 1.00 0.00 O ATOM 0 H ASP A 126 10.823 -5.488 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 126 11.541 -5.857 -6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.284 -7.403 -4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.826 -7.937 -6.122 1.00 0.00 H new ATOM 314 N SER A 127 8.363 -5.223 -6.173 1.00 0.00 N ATOM 315 CA SER A 127 7.106 -4.874 -6.824 1.00 0.00 C ATOM 316 C SER A 127 6.202 -4.092 -5.875 1.00 0.00 C ATOM 317 O SER A 127 5.915 -4.539 -4.765 1.00 0.00 O ATOM 318 CB SER A 127 6.388 -6.137 -7.305 1.00 0.00 C ATOM 319 OG SER A 127 5.574 -5.862 -8.432 1.00 0.00 O ATOM 0 H SER A 127 8.350 -5.135 -5.157 1.00 0.00 H new ATOM 0 HA SER A 127 7.333 -4.244 -7.684 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.122 -6.902 -7.560 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.775 -6.540 -6.499 1.00 0.00 H new ATOM 0 HG SER A 127 5.127 -6.685 -8.721 1.00 0.00 H new ATOM 325 N MET A 128 5.756 -2.923 -6.322 1.00 0.00 N ATOM 326 CA MET A 128 4.884 -2.079 -5.514 1.00 0.00 C ATOM 327 C MET A 128 3.439 -2.173 -5.995 1.00 0.00 C ATOM 328 O MET A 128 3.174 -2.627 -7.108 1.00 0.00 O ATOM 329 CB MET A 128 5.357 -0.624 -5.564 1.00 0.00 C ATOM 330 CG MET A 128 6.853 -0.464 -5.348 1.00 0.00 C ATOM 331 SD MET A 128 7.413 1.231 -5.603 1.00 0.00 S ATOM 332 CE MET A 128 7.131 1.929 -3.978 1.00 0.00 C ATOM 0 H MET A 128 5.984 -2.539 -7.239 1.00 0.00 H new ATOM 0 HA MET A 128 4.930 -2.433 -4.484 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.090 -0.197 -6.531 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.825 -0.051 -4.804 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.106 -0.778 -4.335 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.388 -1.126 -6.029 1.00 0.00 H new ATOM 0 HE1 MET A 128 7.430 2.977 -3.975 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.073 1.853 -3.728 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.719 1.382 -3.240 1.00 0.00 H new ATOM 342 N ILE A 129 2.510 -1.741 -5.149 1.00 0.00 N ATOM 343 CA ILE A 129 1.093 -1.776 -5.489 1.00 0.00 C ATOM 344 C ILE A 129 0.333 -0.652 -4.793 1.00 0.00 C ATOM 345 O ILE A 129 0.505 -0.422 -3.597 1.00 0.00 O ATOM 346 CB ILE A 129 0.456 -3.125 -5.106 1.00 0.00 C ATOM 347 CG1 ILE A 129 -1.052 -3.093 -5.364 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.742 -3.452 -3.648 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.706 -4.456 -5.296 1.00 0.00 C ATOM 0 H ILE A 129 2.713 -1.363 -4.224 1.00 0.00 H new ATOM 0 HA ILE A 129 1.024 -1.644 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 129 0.896 -3.906 -5.726 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.524 -2.436 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.235 -2.660 -6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.285 -4.408 -3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.819 -3.512 -3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.327 -2.670 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.774 -4.357 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.261 -5.111 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.554 -4.883 -4.305 1.00 0.00 H new ATOM 361 N GLN A 130 -0.510 0.043 -5.551 1.00 0.00 N ATOM 362 CA GLN A 130 -1.297 1.142 -5.007 1.00 0.00 C ATOM 363 C GLN A 130 -2.612 0.634 -4.425 1.00 0.00 C ATOM 364 O GLN A 130 -3.248 -0.258 -4.987 1.00 0.00 O ATOM 365 CB GLN A 130 -1.575 2.184 -6.092 1.00 0.00 C ATOM 366 CG GLN A 130 -2.534 3.279 -5.653 1.00 0.00 C ATOM 367 CD GLN A 130 -2.222 4.619 -6.289 1.00 0.00 C ATOM 368 OE1 GLN A 130 -1.947 4.701 -7.487 1.00 0.00 O ATOM 369 NE2 GLN A 130 -2.264 5.678 -5.490 1.00 0.00 N ATOM 0 H GLN A 130 -0.665 -0.136 -6.543 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.721 1.606 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.633 2.639 -6.397 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -1.986 1.683 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.553 2.988 -5.909 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.494 3.378 -4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.496 5.564 -4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.064 6.606 -5.863 1.00 0.00 H new ATOM 378 N CYS A 131 -3.014 1.207 -3.295 1.00 0.00 N ATOM 379 CA CYS A 131 -4.253 0.812 -2.636 1.00 0.00 C ATOM 380 C CYS A 131 -5.438 0.925 -3.591 1.00 0.00 C ATOM 381 O CYS A 131 -5.438 1.755 -4.499 1.00 0.00 O ATOM 382 CB CYS A 131 -4.496 1.679 -1.399 1.00 0.00 C ATOM 383 SG CYS A 131 -5.923 1.158 -0.394 1.00 0.00 S ATOM 0 H CYS A 131 -2.499 1.947 -2.817 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.155 -0.229 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.602 1.663 -0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.646 2.711 -1.716 1.00 0.00 H new ATOM 0 HG CYS A 131 -6.429 0.069 -0.891 1.00 0.00 H new ATOM 388 N GLU A 132 -6.446 0.085 -3.377 1.00 0.00 N ATOM 389 CA GLU A 132 -7.636 0.091 -4.219 1.00 0.00 C ATOM 390 C GLU A 132 -8.680 1.064 -3.678 1.00 0.00 C ATOM 391 O GLU A 132 -9.862 0.969 -4.009 1.00 0.00 O ATOM 392 CB GLU A 132 -8.232 -1.316 -4.309 1.00 0.00 C ATOM 393 CG GLU A 132 -8.028 -1.978 -5.661 1.00 0.00 C ATOM 394 CD GLU A 132 -9.201 -1.765 -6.598 1.00 0.00 C ATOM 395 OE1 GLU A 132 -9.389 -0.621 -7.064 1.00 0.00 O ATOM 396 OE2 GLU A 132 -9.931 -2.742 -6.865 1.00 0.00 O ATOM 0 H GLU A 132 -6.462 -0.608 -2.628 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.342 0.417 -5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.784 -1.941 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.300 -1.263 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.123 -1.582 -6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.872 -3.047 -5.518 1.00 0.00 H new ATOM 403 N ASP A 133 -8.235 1.997 -2.844 1.00 0.00 N ATOM 404 CA ASP A 133 -9.129 2.988 -2.257 1.00 0.00 C ATOM 405 C ASP A 133 -8.737 4.397 -2.688 1.00 0.00 C ATOM 406 O ASP A 133 -7.683 4.903 -2.304 1.00 0.00 O ATOM 407 CB ASP A 133 -9.109 2.884 -0.731 1.00 0.00 C ATOM 408 CG ASP A 133 -9.917 3.980 -0.065 1.00 0.00 C ATOM 409 OD1 ASP A 133 -10.880 4.470 -0.691 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.586 4.349 1.081 1.00 0.00 O ATOM 0 H ASP A 133 -7.260 2.088 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.139 2.786 -2.614 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.503 1.913 -0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.078 2.932 -0.380 1.00 0.00 H new ATOM 415 N GLN A 134 -9.592 5.025 -3.489 1.00 0.00 N ATOM 416 CA GLN A 134 -9.333 6.376 -3.974 1.00 0.00 C ATOM 417 C GLN A 134 -9.174 7.350 -2.812 1.00 0.00 C ATOM 418 O GLN A 134 -8.551 8.403 -2.953 1.00 0.00 O ATOM 419 CB GLN A 134 -10.468 6.838 -4.890 1.00 0.00 C ATOM 420 CG GLN A 134 -10.342 8.287 -5.330 1.00 0.00 C ATOM 421 CD GLN A 134 -10.581 8.469 -6.816 1.00 0.00 C ATOM 422 OE1 GLN A 134 -9.837 9.178 -7.494 1.00 0.00 O ATOM 423 NE2 GLN A 134 -11.624 7.828 -7.331 1.00 0.00 N ATOM 0 H GLN A 134 -10.469 4.620 -3.816 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.402 6.359 -4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.494 6.200 -5.773 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.418 6.705 -4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -11.056 8.895 -4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -9.347 8.654 -5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -12.214 7.251 -6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -11.835 7.913 -8.325 1.00 0.00 H new ATOM 432 N ARG A 135 -9.740 6.992 -1.664 1.00 0.00 N ATOM 433 CA ARG A 135 -9.661 7.835 -0.477 1.00 0.00 C ATOM 434 C ARG A 135 -8.401 7.529 0.326 1.00 0.00 C ATOM 435 O ARG A 135 -8.227 8.020 1.441 1.00 0.00 O ATOM 436 CB ARG A 135 -10.899 7.635 0.399 1.00 0.00 C ATOM 437 CG ARG A 135 -12.052 8.559 0.045 1.00 0.00 C ATOM 438 CD ARG A 135 -11.710 10.013 0.333 1.00 0.00 C ATOM 439 NE ARG A 135 -12.359 10.498 1.548 1.00 0.00 N ATOM 440 CZ ARG A 135 -11.949 11.565 2.224 1.00 0.00 C ATOM 441 NH1 ARG A 135 -10.897 12.255 1.806 1.00 0.00 N ATOM 442 NH2 ARG A 135 -12.592 11.945 3.321 1.00 0.00 N ATOM 0 H ARG A 135 -10.258 6.124 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.618 8.874 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.233 6.601 0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.625 7.793 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.300 8.445 -1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.937 8.273 0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -10.630 10.118 0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.014 10.631 -0.512 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.172 9.989 1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -10.400 11.967 0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -10.584 13.074 2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -13.402 11.417 3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -12.276 12.765 3.839 1.00 0.00 H new ATOM 456 N CYS A 136 -7.523 6.713 -0.249 1.00 0.00 N ATOM 457 CA CYS A 136 -6.279 6.339 0.412 1.00 0.00 C ATOM 458 C CYS A 136 -5.077 6.643 -0.477 1.00 0.00 C ATOM 459 O CYS A 136 -4.195 7.415 -0.102 1.00 0.00 O ATOM 460 CB CYS A 136 -6.296 4.852 0.774 1.00 0.00 C ATOM 461 SG CYS A 136 -5.809 4.500 2.493 1.00 0.00 S ATOM 0 H CYS A 136 -7.651 6.298 -1.172 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.191 6.928 1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.298 4.459 0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.626 4.317 0.101 1.00 0.00 H new ATOM 0 HG CYS A 136 -6.446 3.450 2.918 1.00 0.00 H new ATOM 466 N GLN A 137 -5.051 6.032 -1.657 1.00 0.00 N ATOM 467 CA GLN A 137 -3.958 6.238 -2.600 1.00 0.00 C ATOM 468 C GLN A 137 -2.609 6.013 -1.926 1.00 0.00 C ATOM 469 O GLN A 137 -1.746 6.892 -1.932 1.00 0.00 O ATOM 470 CB GLN A 137 -4.021 7.649 -3.186 1.00 0.00 C ATOM 471 CG GLN A 137 -5.308 7.938 -3.941 1.00 0.00 C ATOM 472 CD GLN A 137 -5.143 7.816 -5.443 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.010 8.817 -6.148 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.150 6.586 -5.942 1.00 0.00 N ATOM 0 H GLN A 137 -5.774 5.391 -1.983 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.066 5.513 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -3.913 8.374 -2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.175 7.792 -3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.083 7.248 -3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.650 8.944 -3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.263 5.784 -5.321 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.042 6.442 -6.946 1.00 0.00 H new ATOM 483 N VAL A 138 -2.433 4.831 -1.344 1.00 0.00 N ATOM 484 CA VAL A 138 -1.188 4.491 -0.666 1.00 0.00 C ATOM 485 C VAL A 138 -0.523 3.280 -1.312 1.00 0.00 C ATOM 486 O VAL A 138 -1.128 2.214 -1.424 1.00 0.00 O ATOM 487 CB VAL A 138 -1.424 4.197 0.828 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.693 5.485 1.590 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.573 3.215 1.001 1.00 0.00 C ATOM 0 H VAL A 138 -3.137 4.093 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.531 5.356 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.522 3.743 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.857 5.257 2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.836 6.151 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.579 5.971 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.727 3.018 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.482 3.640 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.335 2.282 0.490 1.00 0.00 H new ATOM 499 N TRP A 139 0.724 3.453 -1.734 1.00 0.00 N ATOM 500 CA TRP A 139 1.472 2.373 -2.369 1.00 0.00 C ATOM 501 C TRP A 139 2.193 1.524 -1.328 1.00 0.00 C ATOM 502 O TRP A 139 2.737 2.049 -0.357 1.00 0.00 O ATOM 503 CB TRP A 139 2.481 2.943 -3.368 1.00 0.00 C ATOM 504 CG TRP A 139 1.841 3.698 -4.493 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.986 4.758 -4.388 1.00 0.00 C ATOM 506 CD2 TRP A 139 2.004 3.450 -5.894 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.608 5.183 -5.639 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.219 4.397 -6.579 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.738 2.520 -6.636 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.149 4.439 -7.969 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.667 2.563 -8.015 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.877 3.517 -8.670 1.00 0.00 C ATOM 0 H TRP A 139 1.239 4.330 -1.648 1.00 0.00 H new ATOM 0 HA TRP A 139 0.764 1.738 -2.901 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.169 3.604 -2.841 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.075 2.127 -3.779 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.656 5.198 -3.458 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.025 5.958 -5.835 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.350 1.781 -6.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.541 5.174 -8.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.230 1.849 -8.598 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.842 3.525 -9.749 1.00 0.00 H new ATOM 523 N GLN A 140 2.192 0.212 -1.537 1.00 0.00 N ATOM 524 CA GLN A 140 2.846 -0.709 -0.615 1.00 0.00 C ATOM 525 C GLN A 140 3.648 -1.761 -1.373 1.00 0.00 C ATOM 526 O GLN A 140 3.478 -1.935 -2.580 1.00 0.00 O ATOM 527 CB GLN A 140 1.809 -1.389 0.281 1.00 0.00 C ATOM 528 CG GLN A 140 1.119 -0.436 1.244 1.00 0.00 C ATOM 529 CD GLN A 140 0.770 -1.093 2.565 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.877 -2.311 2.714 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.350 -0.288 3.534 1.00 0.00 N ATOM 0 H GLN A 140 1.746 -0.237 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 140 3.532 -0.134 0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.056 -1.867 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.297 -2.179 0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 140 1.767 0.421 1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.209 -0.053 0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.276 0.716 3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 140 0.101 -0.673 4.445 1.00 0.00 H new ATOM 540 N HIS A 141 4.523 -2.460 -0.657 1.00 0.00 N ATOM 541 CA HIS A 141 5.352 -3.496 -1.263 1.00 0.00 C ATOM 542 C HIS A 141 4.580 -4.807 -1.387 1.00 0.00 C ATOM 543 O HIS A 141 4.203 -5.415 -0.384 1.00 0.00 O ATOM 544 CB HIS A 141 6.619 -3.714 -0.436 1.00 0.00 C ATOM 545 CG HIS A 141 7.559 -2.548 -0.462 1.00 0.00 C ATOM 546 ND1 HIS A 141 8.517 -2.332 0.506 1.00 0.00 N ATOM 547 CD2 HIS A 141 7.684 -1.532 -1.347 1.00 0.00 C ATOM 548 CE1 HIS A 141 9.190 -1.232 0.218 1.00 0.00 C ATOM 549 NE2 HIS A 141 8.705 -0.728 -0.902 1.00 0.00 N ATOM 0 H HIS A 141 4.676 -2.328 0.343 1.00 0.00 H new ATOM 0 HA HIS A 141 5.632 -3.163 -2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.338 -3.921 0.597 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.138 -4.597 -0.808 1.00 0.00 H new ATOM 0 HD1 HIS A 141 8.681 -2.928 1.317 1.00 0.00 H new ATOM 0 HD2 HIS A 141 7.091 -1.381 -2.237 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.999 -0.816 0.800 1.00 0.00 H new ATOM 557 N LEU A 142 4.347 -5.236 -2.623 1.00 0.00 N ATOM 558 CA LEU A 142 3.619 -6.474 -2.878 1.00 0.00 C ATOM 559 C LEU A 142 4.295 -7.655 -2.190 1.00 0.00 C ATOM 560 O LEU A 142 3.629 -8.519 -1.621 1.00 0.00 O ATOM 561 CB LEU A 142 3.524 -6.732 -4.383 1.00 0.00 C ATOM 562 CG LEU A 142 2.178 -6.415 -5.035 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.224 -6.711 -6.526 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.062 -7.206 -4.367 1.00 0.00 C ATOM 0 H LEU A 142 4.652 -4.745 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 142 2.614 -6.366 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.294 -6.143 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.756 -7.781 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 142 1.973 -5.353 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.257 -6.479 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.996 -6.101 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.452 -7.766 -6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.111 -6.968 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.261 -8.273 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.013 -6.945 -3.310 1.00 0.00 H new ATOM 576 N ASN A 143 5.623 -7.684 -2.244 1.00 0.00 N ATOM 577 CA ASN A 143 6.390 -8.758 -1.624 1.00 0.00 C ATOM 578 C ASN A 143 6.238 -8.729 -0.106 1.00 0.00 C ATOM 579 O ASN A 143 6.484 -9.726 0.573 1.00 0.00 O ATOM 580 CB ASN A 143 7.867 -8.642 -2.003 1.00 0.00 C ATOM 581 CG ASN A 143 8.199 -9.398 -3.275 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.093 -8.718 -4.411 1.00 0.00 O flip ATOM 583 ND2 ASN A 143 8.546 -10.578 -3.237 1.00 0.00 N flip ATOM 0 H ASN A 143 6.190 -6.976 -2.711 1.00 0.00 H new ATOM 0 HA ASN A 143 6.001 -9.708 -1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.125 -7.591 -2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.480 -9.024 -1.186 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.614 -11.061 -2.341 1.00 0.00 H new ATOM 0 HD22 ASN A 143 8.766 -11.073 -4.101 1.00 0.00 H new ATOM 590 N CYS A 144 5.832 -7.579 0.420 1.00 0.00 N ATOM 591 CA CYS A 144 5.647 -7.417 1.857 1.00 0.00 C ATOM 592 C CYS A 144 4.215 -7.753 2.263 1.00 0.00 C ATOM 593 O CYS A 144 3.964 -8.207 3.380 1.00 0.00 O ATOM 594 CB CYS A 144 5.986 -5.986 2.279 1.00 0.00 C ATOM 595 SG CYS A 144 7.765 -5.599 2.232 1.00 0.00 S ATOM 0 H CYS A 144 5.624 -6.744 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 144 6.321 -8.107 2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.457 -5.291 1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.615 -5.819 3.290 1.00 0.00 H new ATOM 0 HG CYS A 144 7.974 -4.448 2.799 1.00 0.00 H new ATOM 600 N VAL A 145 3.278 -7.528 1.347 1.00 0.00 N ATOM 601 CA VAL A 145 1.871 -7.807 1.608 1.00 0.00 C ATOM 602 C VAL A 145 1.423 -9.081 0.899 1.00 0.00 C ATOM 603 O VAL A 145 0.228 -9.353 0.785 1.00 0.00 O ATOM 604 CB VAL A 145 0.974 -6.639 1.157 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.124 -5.455 2.100 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.302 -6.237 -0.273 1.00 0.00 C ATOM 0 H VAL A 145 3.468 -7.153 0.418 1.00 0.00 H new ATOM 0 HA VAL A 145 1.769 -7.939 2.685 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.065 -6.968 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.483 -4.640 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.835 -5.754 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.162 -5.122 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.659 -5.411 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.345 -5.926 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.138 -7.086 -0.936 1.00 0.00 H new ATOM 616 N LEU A 146 2.390 -9.858 0.424 1.00 0.00 N ATOM 617 CA LEU A 146 2.097 -11.105 -0.274 1.00 0.00 C ATOM 618 C LEU A 146 2.110 -12.286 0.692 1.00 0.00 C ATOM 619 O LEU A 146 3.160 -12.659 1.217 1.00 0.00 O ATOM 620 CB LEU A 146 3.112 -11.336 -1.394 1.00 0.00 C ATOM 621 CG LEU A 146 2.623 -11.044 -2.813 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.801 -10.845 -3.754 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.725 -12.168 -3.311 1.00 0.00 C ATOM 0 H LEU A 146 3.384 -9.646 0.509 1.00 0.00 H new ATOM 0 HA LEU A 146 1.100 -11.025 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 146 3.987 -10.716 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.441 -12.374 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 146 2.041 -10.123 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.433 -10.638 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.405 -10.006 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.411 -11.748 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.387 -11.942 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 146 2.283 -13.105 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.862 -12.263 -2.652 1.00 0.00 H new ATOM 759 N GLU A 156 0.510 -15.230 -3.084 1.00 0.00 N ATOM 760 CA GLU A 156 -0.617 -14.990 -3.977 1.00 0.00 C ATOM 761 C GLU A 156 -0.874 -13.495 -4.141 1.00 0.00 C ATOM 762 O GLU A 156 -1.072 -12.777 -3.161 1.00 0.00 O ATOM 763 CB GLU A 156 -1.875 -15.680 -3.443 1.00 0.00 C ATOM 764 CG GLU A 156 -2.151 -15.390 -1.978 1.00 0.00 C ATOM 765 CD GLU A 156 -3.632 -15.257 -1.679 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.293 -16.299 -1.485 1.00 0.00 O ATOM 767 OE2 GLU A 156 -4.129 -14.113 -1.639 1.00 0.00 O ATOM 0 HA GLU A 156 -0.369 -15.407 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -2.733 -15.363 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -1.774 -16.757 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -1.731 -16.190 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -1.642 -14.470 -1.691 1.00 0.00 H new ATOM 774 N VAL A 157 -0.868 -13.032 -5.387 1.00 0.00 N ATOM 775 CA VAL A 157 -1.101 -11.623 -5.680 1.00 0.00 C ATOM 776 C VAL A 157 -2.531 -11.389 -6.154 1.00 0.00 C ATOM 777 O VAL A 157 -2.867 -11.598 -7.320 1.00 0.00 O ATOM 778 CB VAL A 157 -0.125 -11.105 -6.753 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.313 -9.611 -6.969 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.312 -11.419 -6.363 1.00 0.00 C ATOM 0 H VAL A 157 -0.704 -13.612 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.935 -11.075 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.342 -11.614 -7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.385 -9.263 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.334 -9.416 -7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.125 -9.082 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 157 1.988 -11.046 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.544 -10.939 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.435 -12.498 -6.264 1.00 0.00 H new ATOM 790 N PRO A 158 -3.395 -10.945 -5.229 1.00 0.00 N ATOM 791 CA PRO A 158 -4.803 -10.671 -5.529 1.00 0.00 C ATOM 792 C PRO A 158 -4.979 -9.448 -6.423 1.00 0.00 C ATOM 793 O PRO A 158 -4.088 -8.608 -6.548 1.00 0.00 O ATOM 794 CB PRO A 158 -5.417 -10.418 -4.150 1.00 0.00 C ATOM 795 CG PRO A 158 -4.279 -9.952 -3.309 1.00 0.00 C ATOM 796 CD PRO A 158 -3.063 -10.674 -3.820 1.00 0.00 C ATOM 0 HA PRO A 158 -5.270 -11.491 -6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.206 -9.668 -4.199 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.865 -11.325 -3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.153 -8.872 -3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.453 -10.178 -2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.165 -10.063 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.880 -11.595 -3.266 1.00 0.00 H new ATOM 804 N PRO A 159 -6.154 -9.345 -7.061 1.00 0.00 N ATOM 805 CA PRO A 159 -6.475 -8.227 -7.954 1.00 0.00 C ATOM 806 C PRO A 159 -6.657 -6.915 -7.198 1.00 0.00 C ATOM 807 O PRO A 159 -6.153 -5.872 -7.614 1.00 0.00 O ATOM 808 CB PRO A 159 -7.792 -8.658 -8.603 1.00 0.00 C ATOM 809 CG PRO A 159 -8.407 -9.598 -7.625 1.00 0.00 C ATOM 810 CD PRO A 159 -7.262 -10.310 -6.959 1.00 0.00 C ATOM 0 HA PRO A 159 -5.675 -8.034 -8.669 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.440 -7.802 -8.790 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.620 -9.143 -9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -9.011 -9.061 -6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -9.068 -10.305 -8.126 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.489 -10.553 -5.921 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -7.025 -11.248 -7.461 1.00 0.00 H new ATOM 818 N VAL A 160 -7.381 -6.975 -6.085 1.00 0.00 N ATOM 819 CA VAL A 160 -7.629 -5.791 -5.270 1.00 0.00 C ATOM 820 C VAL A 160 -6.811 -5.829 -3.984 1.00 0.00 C ATOM 821 O VAL A 160 -6.844 -6.812 -3.243 1.00 0.00 O ATOM 822 CB VAL A 160 -9.121 -5.658 -4.913 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.653 -6.964 -4.344 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.334 -4.514 -3.933 1.00 0.00 C ATOM 0 H VAL A 160 -7.806 -7.830 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.327 -4.928 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.676 -5.434 -5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.709 -6.850 -4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.536 -7.757 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -9.096 -7.222 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.394 -4.434 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.768 -4.705 -3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -8.993 -3.581 -4.383 1.00 0.00 H new ATOM 834 N PHE A 161 -6.079 -4.751 -3.723 1.00 0.00 N ATOM 835 CA PHE A 161 -5.252 -4.660 -2.526 1.00 0.00 C ATOM 836 C PHE A 161 -5.672 -3.474 -1.663 1.00 0.00 C ATOM 837 O PHE A 161 -5.991 -2.401 -2.176 1.00 0.00 O ATOM 838 CB PHE A 161 -3.776 -4.530 -2.908 1.00 0.00 C ATOM 839 CG PHE A 161 -2.909 -4.024 -1.791 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.351 -4.903 -0.876 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.652 -2.669 -1.654 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.554 -4.440 0.153 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.855 -2.200 -0.627 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.305 -3.087 0.277 1.00 0.00 C ATOM 0 H PHE A 161 -6.042 -3.928 -4.325 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.391 -5.574 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.406 -5.503 -3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.688 -3.856 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.541 -5.962 -0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -3.080 -1.971 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.126 -5.135 0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.663 -1.142 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.681 -2.723 1.080 1.00 0.00 H new ATOM 854 N TYR A 162 -5.670 -3.675 -0.350 1.00 0.00 N ATOM 855 CA TYR A 162 -6.053 -2.623 0.585 1.00 0.00 C ATOM 856 C TYR A 162 -5.055 -2.525 1.734 1.00 0.00 C ATOM 857 O TYR A 162 -4.777 -3.512 2.417 1.00 0.00 O ATOM 858 CB TYR A 162 -7.456 -2.887 1.134 1.00 0.00 C ATOM 859 CG TYR A 162 -8.563 -2.512 0.175 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.777 -1.188 -0.187 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.394 -3.483 -0.370 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.787 -0.841 -1.062 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.407 -3.145 -1.248 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.599 -1.823 -1.590 1.00 0.00 C ATOM 865 OH TYR A 162 -11.606 -1.481 -2.464 1.00 0.00 O ATOM 0 H TYR A 162 -5.408 -4.556 0.091 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.053 -1.675 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.546 -3.944 1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.585 -2.328 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.142 -0.417 0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.246 -4.519 -0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.940 0.194 -1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -11.044 -3.912 -1.664 1.00 0.00 H new ATOM 0 HH TYR A 162 -12.084 -2.289 -2.744 1.00 0.00 H new ATOM 875 N CYS A 163 -4.518 -1.327 1.942 1.00 0.00 N ATOM 876 CA CYS A 163 -3.551 -1.097 3.008 1.00 0.00 C ATOM 877 C CYS A 163 -4.140 -1.464 4.367 1.00 0.00 C ATOM 878 O CYS A 163 -5.255 -1.978 4.452 1.00 0.00 O ATOM 879 CB CYS A 163 -3.103 0.366 3.013 1.00 0.00 C ATOM 880 SG CYS A 163 -4.328 1.516 3.717 1.00 0.00 S ATOM 0 H CYS A 163 -4.737 -0.500 1.386 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.686 -1.734 2.822 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.175 0.449 3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.881 0.670 1.990 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.585 2.456 2.857 1.00 0.00 H new ATOM 885 N GLU A 164 -3.384 -1.196 5.427 1.00 0.00 N ATOM 886 CA GLU A 164 -3.832 -1.498 6.781 1.00 0.00 C ATOM 887 C GLU A 164 -5.087 -0.703 7.129 1.00 0.00 C ATOM 888 O GLU A 164 -6.054 -1.250 7.661 1.00 0.00 O ATOM 889 CB GLU A 164 -2.723 -1.190 7.789 1.00 0.00 C ATOM 890 CG GLU A 164 -2.195 0.232 7.698 1.00 0.00 C ATOM 891 CD GLU A 164 -0.745 0.344 8.126 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.350 -0.367 9.074 1.00 0.00 O ATOM 893 OE2 GLU A 164 -0.005 1.142 7.514 1.00 0.00 O ATOM 0 H GLU A 164 -2.459 -0.770 5.374 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.072 -2.560 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.101 -1.364 8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.898 -1.885 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -2.296 0.588 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.806 0.883 8.323 1.00 0.00 H new ATOM 900 N LEU A 165 -5.063 0.590 6.827 1.00 0.00 N ATOM 901 CA LEU A 165 -6.198 1.462 7.108 1.00 0.00 C ATOM 902 C LEU A 165 -7.486 0.882 6.533 1.00 0.00 C ATOM 903 O LEU A 165 -8.443 0.622 7.263 1.00 0.00 O ATOM 904 CB LEU A 165 -5.951 2.857 6.529 1.00 0.00 C ATOM 905 CG LEU A 165 -4.571 3.459 6.797 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.486 4.869 6.233 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.271 3.461 8.289 1.00 0.00 C ATOM 0 H LEU A 165 -4.270 1.058 6.388 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.306 1.538 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.103 2.813 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.705 3.534 6.930 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.823 2.843 6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.497 5.282 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.657 4.841 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.243 5.496 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.285 3.893 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.023 4.053 8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.290 2.438 8.665 1.00 0.00 H new ATOM 919 N CYS A 166 -7.503 0.679 5.219 1.00 0.00 N ATOM 920 CA CYS A 166 -8.672 0.128 4.545 1.00 0.00 C ATOM 921 C CYS A 166 -8.954 -1.295 5.020 1.00 0.00 C ATOM 922 O CYS A 166 -10.108 -1.686 5.192 1.00 0.00 O ATOM 923 CB CYS A 166 -8.466 0.140 3.029 1.00 0.00 C ATOM 924 SG CYS A 166 -8.168 1.796 2.332 1.00 0.00 S ATOM 0 H CYS A 166 -6.720 0.888 4.600 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.531 0.752 4.793 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.621 -0.503 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.345 -0.291 2.550 1.00 0.00 H new ATOM 0 HG CYS A 166 -7.355 1.702 1.322 1.00 0.00 H new ATOM 929 N ARG A 167 -7.890 -2.064 5.230 1.00 0.00 N ATOM 930 CA ARG A 167 -8.022 -3.443 5.684 1.00 0.00 C ATOM 931 C ARG A 167 -8.882 -3.521 6.942 1.00 0.00 C ATOM 932 O ARG A 167 -9.887 -4.232 6.977 1.00 0.00 O ATOM 933 CB ARG A 167 -6.643 -4.046 5.958 1.00 0.00 C ATOM 934 CG ARG A 167 -6.061 -4.798 4.772 1.00 0.00 C ATOM 935 CD ARG A 167 -5.868 -6.273 5.087 1.00 0.00 C ATOM 936 NE ARG A 167 -4.537 -6.548 5.622 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.138 -7.753 6.016 1.00 0.00 C ATOM 938 NH1 ARG A 167 -4.964 -8.787 5.935 1.00 0.00 N ATOM 939 NH2 ARG A 167 -2.911 -7.924 6.492 1.00 0.00 N ATOM 0 H ARG A 167 -6.928 -1.755 5.093 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.511 -4.014 4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -5.957 -3.248 6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.715 -4.725 6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.723 -4.692 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.104 -4.356 4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.621 -6.592 5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -6.024 -6.860 4.182 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.878 -5.773 5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -5.908 -8.659 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.656 -9.711 6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.273 -7.130 6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.606 -8.849 6.794 1.00 0.00 H new