USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 Single : A 113 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.6!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.056) USER MOD Single : A 123 ASN :FLIP amide:sc= -1.55 F(o=-2.3!,f=-1.5) USER MOD Single : A 124 CYS SG : rot 180:sc= -2.04 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 165:sc= 0.716 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0.0038 USER MOD Single : A 144 MET CE :methyl -123:sc= -3.09! (180deg=-3.29!) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 GLN : amide:sc= -1.01 K(o=-1,f=-4.8!) USER MOD Single : A 166 SER OG : rot 170:sc= -0.329 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 173 MET CE :methyl 173:sc= 0 (180deg=-0.0588) USER MOD Single : A 174 HIS : no HE2:sc= -3.33! C(o=-3.3!,f=-3!) USER MOD Single : A 176 HIS :FLIP no HD1:sc= -2.79! C(o=-3.6!,f=-2.8!) USER MOD Single : A 179 MET CE :methyl 156:sc= -0.0739 (180deg=-0.324) USER MOD Single : A 181 LYS NZ :NH3+ 148:sc= 1.29 (180deg=1.12) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 110 N ASN A 113 -5.424 -7.343 10.504 1.00 0.00 N ATOM 111 CA ASN A 113 -4.819 -8.406 9.709 1.00 0.00 C ATOM 112 C ASN A 113 -5.891 -9.275 9.058 1.00 0.00 C ATOM 113 O ASN A 113 -5.857 -10.502 9.159 1.00 0.00 O ATOM 114 CB ASN A 113 -3.908 -9.270 10.583 1.00 0.00 C ATOM 115 CG ASN A 113 -3.036 -8.440 11.505 1.00 0.00 C ATOM 116 OD1 ASN A 113 -2.304 -7.556 11.057 1.00 0.00 O ATOM 117 ND2 ASN A 113 -3.109 -8.721 12.801 1.00 0.00 N ATOM 0 HA ASN A 113 -4.224 -7.943 8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -4.518 -9.950 11.178 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -3.274 -9.886 9.945 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -2.545 -8.196 13.469 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -3.729 -9.462 13.128 1.00 0.00 H new ATOM 124 N LYS A 114 -6.842 -8.632 8.390 1.00 0.00 N ATOM 125 CA LYS A 114 -7.924 -9.344 7.721 1.00 0.00 C ATOM 126 C LYS A 114 -7.631 -9.504 6.232 1.00 0.00 C ATOM 127 O LYS A 114 -7.080 -8.603 5.599 1.00 0.00 O ATOM 128 CB LYS A 114 -9.248 -8.602 7.914 1.00 0.00 C ATOM 129 CG LYS A 114 -10.470 -9.439 7.578 1.00 0.00 C ATOM 130 CD LYS A 114 -11.725 -8.586 7.497 1.00 0.00 C ATOM 131 CE LYS A 114 -11.761 -7.768 6.215 1.00 0.00 C ATOM 132 NZ LYS A 114 -12.697 -6.615 6.320 1.00 0.00 N ATOM 0 H LYS A 114 -6.885 -7.617 8.297 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.003 -10.335 8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.320 -8.268 8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.248 -7.708 7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.313 -9.948 6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -10.602 -10.212 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.605 -9.227 7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.769 -7.918 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -10.759 -7.403 5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -12.063 -8.407 5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.693 -6.082 5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -13.658 -6.964 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.395 -5.992 7.096 1.00 0.00 H new ATOM 146 N ILE A 115 -8.004 -10.654 5.681 1.00 0.00 N ATOM 147 CA ILE A 115 -7.783 -10.929 4.266 1.00 0.00 C ATOM 148 C ILE A 115 -9.085 -11.314 3.572 1.00 0.00 C ATOM 149 O ILE A 115 -10.005 -11.838 4.200 1.00 0.00 O ATOM 150 CB ILE A 115 -6.754 -12.058 4.067 1.00 0.00 C ATOM 151 CG1 ILE A 115 -7.329 -13.392 4.545 1.00 0.00 C ATOM 152 CG2 ILE A 115 -5.464 -11.735 4.805 1.00 0.00 C ATOM 153 CD1 ILE A 115 -6.507 -14.590 4.123 1.00 0.00 C ATOM 0 H ILE A 115 -8.460 -11.410 6.192 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.395 -10.012 3.822 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.529 -12.142 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.404 -13.378 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -8.342 -13.502 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.747 -12.542 4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.048 -10.804 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -5.671 -11.627 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -6.974 -15.501 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.453 -14.629 3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.501 -14.503 4.533 1.00 0.00 H new ATOM 165 N PHE A 116 -9.154 -11.053 2.271 1.00 0.00 N ATOM 166 CA PHE A 116 -10.343 -11.373 1.489 1.00 0.00 C ATOM 167 C PHE A 116 -10.159 -12.684 0.732 1.00 0.00 C ATOM 168 O PHE A 116 -9.440 -12.743 -0.265 1.00 0.00 O ATOM 169 CB PHE A 116 -10.652 -10.242 0.506 1.00 0.00 C ATOM 170 CG PHE A 116 -11.585 -10.647 -0.600 1.00 0.00 C ATOM 171 CD1 PHE A 116 -12.934 -10.841 -0.351 1.00 0.00 C ATOM 172 CD2 PHE A 116 -11.112 -10.834 -1.889 1.00 0.00 C ATOM 173 CE1 PHE A 116 -13.793 -11.215 -1.366 1.00 0.00 C ATOM 174 CE2 PHE A 116 -11.967 -11.208 -2.909 1.00 0.00 C ATOM 175 CZ PHE A 116 -13.310 -11.397 -2.647 1.00 0.00 C ATOM 0 H PHE A 116 -8.401 -10.621 1.736 1.00 0.00 H new ATOM 0 HA PHE A 116 -11.181 -11.486 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -11.090 -9.406 1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.719 -9.885 0.071 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -13.318 -10.698 0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -10.063 -10.686 -2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -14.842 -11.365 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -11.585 -11.352 -3.909 1.00 0.00 H new ATOM 0 HZ PHE A 116 -13.981 -11.686 -3.442 1.00 0.00 H new ATOM 185 N VAL A 117 -10.815 -13.736 1.213 1.00 0.00 N ATOM 186 CA VAL A 117 -10.725 -15.047 0.583 1.00 0.00 C ATOM 187 C VAL A 117 -11.964 -15.339 -0.257 1.00 0.00 C ATOM 188 O VAL A 117 -13.067 -15.475 0.271 1.00 0.00 O ATOM 189 CB VAL A 117 -10.554 -16.163 1.630 1.00 0.00 C ATOM 190 CG1 VAL A 117 -10.566 -17.530 0.962 1.00 0.00 C ATOM 191 CG2 VAL A 117 -9.271 -15.958 2.421 1.00 0.00 C ATOM 0 H VAL A 117 -11.415 -13.705 2.037 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.847 -15.028 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.393 -16.118 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.444 -18.306 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.515 -17.674 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.748 -17.591 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.166 -16.755 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.418 -15.976 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.308 -14.996 2.932 1.00 0.00 H new ATOM 201 N GLY A 118 -11.774 -15.435 -1.569 1.00 0.00 N ATOM 202 CA GLY A 118 -12.884 -15.711 -2.462 1.00 0.00 C ATOM 203 C GLY A 118 -12.668 -16.964 -3.287 1.00 0.00 C ATOM 204 O GLY A 118 -11.617 -17.598 -3.201 1.00 0.00 O ATOM 0 H GLY A 118 -10.871 -15.326 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.798 -15.818 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -13.029 -14.861 -3.129 1.00 0.00 H new ATOM 208 N GLY A 119 -13.666 -17.323 -4.088 1.00 0.00 N ATOM 209 CA GLY A 119 -13.561 -18.509 -4.919 1.00 0.00 C ATOM 210 C GLY A 119 -13.514 -19.786 -4.103 1.00 0.00 C ATOM 211 O GLY A 119 -13.184 -20.851 -4.625 1.00 0.00 O ATOM 0 H GLY A 119 -14.546 -16.814 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -14.411 -18.548 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -12.663 -18.440 -5.533 1.00 0.00 H new ATOM 215 N ILE A 120 -13.844 -19.679 -2.820 1.00 0.00 N ATOM 216 CA ILE A 120 -13.837 -20.834 -1.932 1.00 0.00 C ATOM 217 C ILE A 120 -14.836 -21.890 -2.395 1.00 0.00 C ATOM 218 O ILE A 120 -15.964 -21.585 -2.782 1.00 0.00 O ATOM 219 CB ILE A 120 -14.168 -20.432 -0.482 1.00 0.00 C ATOM 220 CG1 ILE A 120 -13.244 -19.304 -0.020 1.00 0.00 C ATOM 221 CG2 ILE A 120 -14.048 -21.635 0.442 1.00 0.00 C ATOM 222 CD1 ILE A 120 -13.775 -18.538 1.171 1.00 0.00 C ATOM 0 H ILE A 120 -14.119 -18.804 -2.373 1.00 0.00 H new ATOM 0 HA ILE A 120 -12.830 -21.250 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 120 -15.196 -20.072 -0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -12.270 -19.723 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -13.088 -18.611 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -14.285 -21.335 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -14.743 -22.411 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -13.030 -22.022 0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -13.069 -17.754 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -14.735 -18.089 0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -13.905 -19.218 2.013 1.00 0.00 H new ATOM 234 N PRO A 121 -14.414 -23.162 -2.353 1.00 0.00 N ATOM 235 CA PRO A 121 -15.257 -24.290 -2.762 1.00 0.00 C ATOM 236 C PRO A 121 -16.407 -24.536 -1.792 1.00 0.00 C ATOM 237 O PRO A 121 -16.409 -24.021 -0.673 1.00 0.00 O ATOM 238 CB PRO A 121 -14.289 -25.476 -2.758 1.00 0.00 C ATOM 239 CG PRO A 121 -13.223 -25.091 -1.790 1.00 0.00 C ATOM 240 CD PRO A 121 -13.082 -23.599 -1.902 1.00 0.00 C ATOM 0 HA PRO A 121 -15.733 -24.115 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -14.789 -26.395 -2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -13.877 -25.654 -3.751 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -13.494 -25.382 -0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -12.283 -25.591 -2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -12.814 -23.148 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -12.306 -23.321 -2.615 1.00 0.00 H new ATOM 248 N HIS A 122 -17.383 -25.327 -2.227 1.00 0.00 N ATOM 249 CA HIS A 122 -18.539 -25.642 -1.395 1.00 0.00 C ATOM 250 C HIS A 122 -18.191 -26.714 -0.366 1.00 0.00 C ATOM 251 O HIS A 122 -19.039 -27.128 0.424 1.00 0.00 O ATOM 252 CB HIS A 122 -19.706 -26.112 -2.264 1.00 0.00 C ATOM 253 CG HIS A 122 -20.510 -24.990 -2.844 1.00 0.00 C ATOM 254 ND1 HIS A 122 -21.270 -24.133 -2.076 1.00 0.00 N ATOM 255 CD2 HIS A 122 -20.669 -24.585 -4.126 1.00 0.00 C ATOM 256 CE1 HIS A 122 -21.863 -23.251 -2.860 1.00 0.00 C ATOM 257 NE2 HIS A 122 -21.514 -23.503 -4.109 1.00 0.00 N ATOM 0 H HIS A 122 -17.396 -25.761 -3.150 1.00 0.00 H new ATOM 0 HA HIS A 122 -18.833 -24.736 -0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -19.319 -26.728 -3.076 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -20.361 -26.746 -1.667 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -20.216 -25.030 -4.999 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -22.521 -22.459 -2.535 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -21.822 -22.979 -4.928 1.00 0.00 H new ATOM 265 N ASN A 123 -16.939 -27.160 -0.383 1.00 0.00 N ATOM 266 CA ASN A 123 -16.480 -28.185 0.548 1.00 0.00 C ATOM 267 C ASN A 123 -15.591 -27.579 1.629 1.00 0.00 C ATOM 268 O ASN A 123 -15.455 -28.134 2.720 1.00 0.00 O ATOM 269 CB ASN A 123 -15.718 -29.279 -0.201 1.00 0.00 C ATOM 270 CG ASN A 123 -15.008 -28.750 -1.432 1.00 0.00 C ATOM 271 OD1 ASN A 123 -13.880 -28.082 -1.223 1.00 0.00 O flip ATOM 272 ND2 ASN A 123 -15.468 -28.940 -2.558 1.00 0.00 N flip ATOM 0 H ASN A 123 -16.224 -26.828 -1.031 1.00 0.00 H new ATOM 0 HA ASN A 123 -17.355 -28.624 1.027 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -14.988 -29.733 0.469 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -16.413 -30.065 -0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -16.338 -29.459 -2.672 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -14.979 -28.578 -3.377 1.00 0.00 H new ATOM 279 N CYS A 124 -14.987 -26.437 1.319 1.00 0.00 N ATOM 280 CA CYS A 124 -14.109 -25.755 2.264 1.00 0.00 C ATOM 281 C CYS A 124 -14.919 -24.940 3.267 1.00 0.00 C ATOM 282 O CYS A 124 -15.834 -24.208 2.894 1.00 0.00 O ATOM 283 CB CYS A 124 -13.133 -24.843 1.518 1.00 0.00 C ATOM 284 SG CYS A 124 -12.155 -23.771 2.596 1.00 0.00 S ATOM 0 H CYS A 124 -15.089 -25.964 0.421 1.00 0.00 H new ATOM 0 HA CYS A 124 -13.544 -26.511 2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -12.457 -25.459 0.926 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -13.694 -24.223 0.819 1.00 0.00 H new ATOM 0 HG CYS A 124 -11.359 -23.040 1.874 1.00 0.00 H new ATOM 290 N GLY A 125 -14.576 -25.075 4.545 1.00 0.00 N ATOM 291 CA GLY A 125 -15.283 -24.348 5.583 1.00 0.00 C ATOM 292 C GLY A 125 -14.341 -23.652 6.546 1.00 0.00 C ATOM 293 O GLY A 125 -13.147 -23.530 6.277 1.00 0.00 O ATOM 0 H GLY A 125 -13.822 -25.675 4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -15.939 -23.609 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -15.920 -25.038 6.137 1.00 0.00 H new ATOM 297 N GLU A 126 -14.881 -23.194 7.672 1.00 0.00 N ATOM 298 CA GLU A 126 -14.080 -22.504 8.676 1.00 0.00 C ATOM 299 C GLU A 126 -12.881 -23.352 9.092 1.00 0.00 C ATOM 300 O GLU A 126 -11.731 -22.941 8.938 1.00 0.00 O ATOM 301 CB GLU A 126 -14.934 -22.173 9.902 1.00 0.00 C ATOM 302 CG GLU A 126 -14.252 -21.234 10.883 1.00 0.00 C ATOM 303 CD GLU A 126 -15.240 -20.391 11.666 1.00 0.00 C ATOM 304 OE1 GLU A 126 -16.044 -20.970 12.424 1.00 0.00 O ATOM 305 OE2 GLU A 126 -15.207 -19.151 11.520 1.00 0.00 O ATOM 0 H GLU A 126 -15.868 -23.288 7.911 1.00 0.00 H new ATOM 0 HA GLU A 126 -13.713 -21.577 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -15.870 -21.722 9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -15.190 -23.099 10.417 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -13.647 -21.817 11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -13.571 -20.579 10.340 1.00 0.00 H new ATOM 312 N THR A 127 -13.159 -24.539 9.622 1.00 0.00 N ATOM 313 CA THR A 127 -12.105 -25.445 10.062 1.00 0.00 C ATOM 314 C THR A 127 -10.997 -25.547 9.021 1.00 0.00 C ATOM 315 O THR A 127 -9.848 -25.195 9.288 1.00 0.00 O ATOM 316 CB THR A 127 -12.658 -26.855 10.346 1.00 0.00 C ATOM 317 OG1 THR A 127 -13.751 -26.776 11.267 1.00 0.00 O ATOM 318 CG2 THR A 127 -11.573 -27.757 10.914 1.00 0.00 C ATOM 0 H THR A 127 -14.105 -24.895 9.757 1.00 0.00 H new ATOM 0 HA THR A 127 -11.697 -25.030 10.984 1.00 0.00 H new ATOM 0 HB THR A 127 -13.007 -27.281 9.405 1.00 0.00 H new ATOM 0 HG1 THR A 127 -14.098 -27.676 11.441 1.00 0.00 H new ATOM 0 HG21 THR A 127 -11.987 -28.747 11.107 1.00 0.00 H new ATOM 0 HG22 THR A 127 -10.756 -27.838 10.198 1.00 0.00 H new ATOM 0 HG23 THR A 127 -11.198 -27.333 11.846 1.00 0.00 H new ATOM 326 N GLU A 128 -11.349 -26.029 7.833 1.00 0.00 N ATOM 327 CA GLU A 128 -10.382 -26.176 6.752 1.00 0.00 C ATOM 328 C GLU A 128 -9.556 -24.904 6.583 1.00 0.00 C ATOM 329 O GLU A 128 -8.343 -24.904 6.795 1.00 0.00 O ATOM 330 CB GLU A 128 -11.096 -26.512 5.441 1.00 0.00 C ATOM 331 CG GLU A 128 -11.543 -27.961 5.345 1.00 0.00 C ATOM 332 CD GLU A 128 -10.426 -28.938 5.659 1.00 0.00 C ATOM 333 OE1 GLU A 128 -9.415 -28.939 4.926 1.00 0.00 O ATOM 334 OE2 GLU A 128 -10.564 -29.701 6.638 1.00 0.00 O ATOM 0 H GLU A 128 -12.296 -26.324 7.595 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.709 -26.993 7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.966 -25.864 5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.430 -26.290 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.371 -28.128 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -11.919 -28.156 4.341 1.00 0.00 H new ATOM 341 N LEU A 129 -10.223 -23.821 6.200 1.00 0.00 N ATOM 342 CA LEU A 129 -9.553 -22.540 6.001 1.00 0.00 C ATOM 343 C LEU A 129 -8.440 -22.343 7.026 1.00 0.00 C ATOM 344 O LEU A 129 -7.276 -22.165 6.667 1.00 0.00 O ATOM 345 CB LEU A 129 -10.560 -21.394 6.099 1.00 0.00 C ATOM 346 CG LEU A 129 -11.541 -21.261 4.934 1.00 0.00 C ATOM 347 CD1 LEU A 129 -12.696 -20.345 5.309 1.00 0.00 C ATOM 348 CD2 LEU A 129 -10.828 -20.742 3.693 1.00 0.00 C ATOM 0 H LEU A 129 -11.227 -23.804 6.021 1.00 0.00 H new ATOM 0 HA LEU A 129 -9.110 -22.541 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -11.133 -21.518 7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -10.008 -20.459 6.191 1.00 0.00 H new ATOM 0 HG LEU A 129 -11.945 -22.248 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -13.383 -20.263 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -13.223 -20.758 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -12.310 -19.357 5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -11.541 -20.654 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -10.395 -19.764 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -10.036 -21.436 3.411 1.00 0.00 H new ATOM 360 N ARG A 130 -8.806 -22.379 8.303 1.00 0.00 N ATOM 361 CA ARG A 130 -7.839 -22.206 9.380 1.00 0.00 C ATOM 362 C ARG A 130 -6.743 -23.265 9.303 1.00 0.00 C ATOM 363 O ARG A 130 -5.555 -22.945 9.328 1.00 0.00 O ATOM 364 CB ARG A 130 -8.538 -22.279 10.739 1.00 0.00 C ATOM 365 CG ARG A 130 -9.649 -21.255 10.908 1.00 0.00 C ATOM 366 CD ARG A 130 -10.412 -21.470 12.206 1.00 0.00 C ATOM 367 NE ARG A 130 -11.516 -22.413 12.042 1.00 0.00 N ATOM 368 CZ ARG A 130 -12.155 -22.979 13.059 1.00 0.00 C ATOM 369 NH1 ARG A 130 -11.803 -22.699 14.307 1.00 0.00 N ATOM 370 NH2 ARG A 130 -13.150 -23.827 12.830 1.00 0.00 N ATOM 0 H ARG A 130 -9.765 -22.526 8.617 1.00 0.00 H new ATOM 0 HA ARG A 130 -7.380 -21.224 9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -8.953 -23.278 10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -7.799 -22.134 11.527 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -9.225 -20.251 10.896 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -10.337 -21.320 10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -9.729 -21.840 12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -10.800 -20.515 12.561 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.812 -22.649 11.095 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -11.039 -22.047 14.488 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -12.296 -23.135 15.086 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -13.424 -24.044 11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -13.640 -24.261 13.612 1.00 0.00 H new ATOM 384 N GLU A 131 -7.152 -24.526 9.208 1.00 0.00 N ATOM 385 CA GLU A 131 -6.204 -25.631 9.129 1.00 0.00 C ATOM 386 C GLU A 131 -5.261 -25.455 7.942 1.00 0.00 C ATOM 387 O GLU A 131 -4.205 -26.084 7.876 1.00 0.00 O ATOM 388 CB GLU A 131 -6.948 -26.963 9.009 1.00 0.00 C ATOM 389 CG GLU A 131 -7.897 -27.236 10.164 1.00 0.00 C ATOM 390 CD GLU A 131 -7.203 -27.878 11.349 1.00 0.00 C ATOM 391 OE1 GLU A 131 -6.162 -28.537 11.141 1.00 0.00 O ATOM 392 OE2 GLU A 131 -7.700 -27.723 12.484 1.00 0.00 O ATOM 0 H GLU A 131 -8.132 -24.808 9.184 1.00 0.00 H new ATOM 0 HA GLU A 131 -5.612 -25.634 10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -7.512 -26.972 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -6.220 -27.772 8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.357 -26.300 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -8.702 -27.887 9.822 1.00 0.00 H new ATOM 399 N TYR A 132 -5.650 -24.595 7.007 1.00 0.00 N ATOM 400 CA TYR A 132 -4.842 -24.337 5.821 1.00 0.00 C ATOM 401 C TYR A 132 -4.202 -22.954 5.888 1.00 0.00 C ATOM 402 O TYR A 132 -3.248 -22.663 5.167 1.00 0.00 O ATOM 403 CB TYR A 132 -5.699 -24.455 4.559 1.00 0.00 C ATOM 404 CG TYR A 132 -4.899 -24.401 3.278 1.00 0.00 C ATOM 405 CD1 TYR A 132 -4.388 -23.199 2.804 1.00 0.00 C ATOM 406 CD2 TYR A 132 -4.653 -25.553 2.540 1.00 0.00 C ATOM 407 CE1 TYR A 132 -3.657 -23.145 1.633 1.00 0.00 C ATOM 408 CE2 TYR A 132 -3.922 -25.509 1.369 1.00 0.00 C ATOM 409 CZ TYR A 132 -3.427 -24.303 0.919 1.00 0.00 C ATOM 410 OH TYR A 132 -2.698 -24.254 -0.247 1.00 0.00 O ATOM 0 H TYR A 132 -6.520 -24.065 7.048 1.00 0.00 H new ATOM 0 HA TYR A 132 -4.048 -25.083 5.784 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -6.253 -25.393 4.592 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -6.434 -23.651 4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -4.565 -22.291 3.361 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.040 -26.499 2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -3.268 -22.202 1.279 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -3.739 -26.414 0.809 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.422 -25.160 -0.499 1.00 0.00 H new ATOM 420 N PHE A 133 -4.735 -22.105 6.760 1.00 0.00 N ATOM 421 CA PHE A 133 -4.218 -20.751 6.923 1.00 0.00 C ATOM 422 C PHE A 133 -3.393 -20.634 8.201 1.00 0.00 C ATOM 423 O PHE A 133 -2.774 -19.602 8.463 1.00 0.00 O ATOM 424 CB PHE A 133 -5.368 -19.742 6.950 1.00 0.00 C ATOM 425 CG PHE A 133 -5.885 -19.385 5.586 1.00 0.00 C ATOM 426 CD1 PHE A 133 -5.015 -18.989 4.583 1.00 0.00 C ATOM 427 CD2 PHE A 133 -7.241 -19.444 5.307 1.00 0.00 C ATOM 428 CE1 PHE A 133 -5.487 -18.660 3.326 1.00 0.00 C ATOM 429 CE2 PHE A 133 -7.718 -19.117 4.052 1.00 0.00 C ATOM 430 CZ PHE A 133 -6.841 -18.723 3.061 1.00 0.00 C ATOM 0 H PHE A 133 -5.525 -22.330 7.365 1.00 0.00 H new ATOM 0 HA PHE A 133 -3.572 -20.531 6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -6.185 -20.151 7.544 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -5.032 -18.834 7.452 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -3.955 -18.937 4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -7.932 -19.749 6.079 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -4.798 -18.354 2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -8.777 -19.170 3.846 1.00 0.00 H new ATOM 0 HZ PHE A 133 -7.213 -18.465 2.081 1.00 0.00 H new ATOM 440 N LYS A 134 -3.390 -21.699 8.996 1.00 0.00 N ATOM 441 CA LYS A 134 -2.642 -21.718 10.247 1.00 0.00 C ATOM 442 C LYS A 134 -1.152 -21.913 9.987 1.00 0.00 C ATOM 443 O LYS A 134 -0.315 -21.579 10.827 1.00 0.00 O ATOM 444 CB LYS A 134 -3.162 -22.832 11.159 1.00 0.00 C ATOM 445 CG LYS A 134 -2.821 -24.229 10.668 1.00 0.00 C ATOM 446 CD LYS A 134 -3.117 -25.279 11.725 1.00 0.00 C ATOM 447 CE LYS A 134 -2.335 -26.559 11.473 1.00 0.00 C ATOM 448 NZ LYS A 134 -1.003 -26.535 12.139 1.00 0.00 N ATOM 0 H LYS A 134 -3.898 -22.561 8.796 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.784 -20.757 10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -2.747 -22.696 12.158 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -4.245 -22.741 11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.392 -24.448 9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -1.766 -24.273 10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -2.866 -24.886 12.710 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -4.185 -25.499 11.732 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -2.908 -27.412 11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -2.202 -26.698 10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -0.501 -27.425 11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -0.447 -25.736 11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -1.130 -26.428 13.166 1.00 0.00 H new ATOM 462 N LYS A 135 -0.826 -22.455 8.819 1.00 0.00 N ATOM 463 CA LYS A 135 0.564 -22.693 8.446 1.00 0.00 C ATOM 464 C LYS A 135 1.290 -21.377 8.187 1.00 0.00 C ATOM 465 O LYS A 135 2.471 -21.234 8.507 1.00 0.00 O ATOM 466 CB LYS A 135 0.635 -23.580 7.202 1.00 0.00 C ATOM 467 CG LYS A 135 -0.210 -23.075 6.045 1.00 0.00 C ATOM 468 CD LYS A 135 -0.015 -23.923 4.800 1.00 0.00 C ATOM 469 CE LYS A 135 -1.002 -25.080 4.752 1.00 0.00 C ATOM 470 NZ LYS A 135 -0.769 -25.960 3.574 1.00 0.00 N ATOM 0 H LYS A 135 -1.506 -22.738 8.113 1.00 0.00 H new ATOM 0 HA LYS A 135 1.055 -23.202 9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 135 1.673 -23.654 6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 135 0.311 -24.587 7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -1.262 -23.083 6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 135 0.053 -22.040 5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.138 -23.302 3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 135 1.003 -24.311 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -0.918 -25.667 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -2.019 -24.689 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -1.462 -26.736 3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -0.875 -25.406 2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 0.192 -26.354 3.620 1.00 0.00 H new ATOM 484 N PHE A 136 0.577 -20.417 7.608 1.00 0.00 N ATOM 485 CA PHE A 136 1.154 -19.112 7.307 1.00 0.00 C ATOM 486 C PHE A 136 1.404 -18.319 8.586 1.00 0.00 C ATOM 487 O PHE A 136 2.346 -17.532 8.668 1.00 0.00 O ATOM 488 CB PHE A 136 0.229 -18.324 6.377 1.00 0.00 C ATOM 489 CG PHE A 136 0.107 -18.922 5.005 1.00 0.00 C ATOM 490 CD1 PHE A 136 1.146 -18.819 4.095 1.00 0.00 C ATOM 491 CD2 PHE A 136 -1.048 -19.587 4.625 1.00 0.00 C ATOM 492 CE1 PHE A 136 1.036 -19.368 2.831 1.00 0.00 C ATOM 493 CE2 PHE A 136 -1.164 -20.139 3.363 1.00 0.00 C ATOM 494 CZ PHE A 136 -0.120 -20.029 2.465 1.00 0.00 C ATOM 0 H PHE A 136 -0.401 -20.518 7.338 1.00 0.00 H new ATOM 0 HA PHE A 136 2.110 -19.272 6.808 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -0.762 -18.265 6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.600 -17.303 6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 136 2.053 -18.304 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -1.867 -19.675 5.323 1.00 0.00 H new ATOM 0 HE1 PHE A 136 1.853 -19.280 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -2.069 -20.655 3.080 1.00 0.00 H new ATOM 0 HZ PHE A 136 -0.208 -20.459 1.478 1.00 0.00 H new ATOM 504 N GLY A 137 0.551 -18.532 9.583 1.00 0.00 N ATOM 505 CA GLY A 137 0.694 -17.831 10.846 1.00 0.00 C ATOM 506 C GLY A 137 -0.264 -18.339 11.904 1.00 0.00 C ATOM 507 O GLY A 137 -0.129 -19.465 12.385 1.00 0.00 O ATOM 0 H GLY A 137 -0.237 -19.178 9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 137 1.717 -17.941 11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 137 0.524 -16.766 10.688 1.00 0.00 H new ATOM 511 N VAL A 138 -1.234 -17.508 12.271 1.00 0.00 N ATOM 512 CA VAL A 138 -2.219 -17.880 13.280 1.00 0.00 C ATOM 513 C VAL A 138 -3.553 -17.187 13.027 1.00 0.00 C ATOM 514 O VAL A 138 -3.687 -15.980 13.229 1.00 0.00 O ATOM 515 CB VAL A 138 -1.730 -17.527 14.697 1.00 0.00 C ATOM 516 CG1 VAL A 138 -2.866 -17.654 15.701 1.00 0.00 C ATOM 517 CG2 VAL A 138 -0.557 -18.412 15.092 1.00 0.00 C ATOM 0 H VAL A 138 -1.359 -16.572 11.885 1.00 0.00 H new ATOM 0 HA VAL A 138 -2.354 -18.959 13.208 1.00 0.00 H new ATOM 0 HB VAL A 138 -1.390 -16.491 14.698 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.502 -17.401 16.697 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -3.672 -16.974 15.426 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -3.239 -18.678 15.701 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -0.224 -18.149 16.096 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -0.867 -19.457 15.075 1.00 0.00 H new ATOM 0 HG23 VAL A 138 0.262 -18.266 14.388 1.00 0.00 H new ATOM 527 N VAL A 139 -4.540 -17.960 12.584 1.00 0.00 N ATOM 528 CA VAL A 139 -5.866 -17.422 12.305 1.00 0.00 C ATOM 529 C VAL A 139 -6.606 -17.087 13.595 1.00 0.00 C ATOM 530 O VAL A 139 -7.087 -17.978 14.298 1.00 0.00 O ATOM 531 CB VAL A 139 -6.712 -18.412 11.483 1.00 0.00 C ATOM 532 CG1 VAL A 139 -8.096 -17.840 11.217 1.00 0.00 C ATOM 533 CG2 VAL A 139 -6.009 -18.756 10.178 1.00 0.00 C ATOM 0 H VAL A 139 -4.446 -18.961 12.411 1.00 0.00 H new ATOM 0 HA VAL A 139 -5.722 -16.510 11.725 1.00 0.00 H new ATOM 0 HB VAL A 139 -6.829 -19.329 12.060 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -8.679 -18.554 10.635 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -8.599 -17.648 12.165 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -8.003 -16.908 10.660 1.00 0.00 H new ATOM 0 HG21 VAL A 139 -6.620 -19.457 9.609 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -5.860 -17.847 9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -5.042 -19.211 10.394 1.00 0.00 H new ATOM 543 N THR A 140 -6.695 -15.797 13.903 1.00 0.00 N ATOM 544 CA THR A 140 -7.376 -15.344 15.109 1.00 0.00 C ATOM 545 C THR A 140 -8.885 -15.290 14.901 1.00 0.00 C ATOM 546 O THR A 140 -9.657 -15.597 15.809 1.00 0.00 O ATOM 547 CB THR A 140 -6.879 -13.953 15.546 1.00 0.00 C ATOM 548 OG1 THR A 140 -6.916 -13.049 14.437 1.00 0.00 O ATOM 549 CG2 THR A 140 -5.463 -14.033 16.096 1.00 0.00 C ATOM 0 H THR A 140 -6.304 -15.047 13.333 1.00 0.00 H new ATOM 0 HA THR A 140 -7.146 -16.066 15.892 1.00 0.00 H new ATOM 0 HB THR A 140 -7.537 -13.587 16.334 1.00 0.00 H new ATOM 0 HG1 THR A 140 -6.600 -12.167 14.723 1.00 0.00 H new ATOM 0 HG21 THR A 140 -5.133 -13.039 16.398 1.00 0.00 H new ATOM 0 HG22 THR A 140 -5.445 -14.699 16.959 1.00 0.00 H new ATOM 0 HG23 THR A 140 -4.795 -14.418 15.326 1.00 0.00 H new ATOM 557 N GLU A 141 -9.299 -14.898 13.700 1.00 0.00 N ATOM 558 CA GLU A 141 -10.717 -14.803 13.374 1.00 0.00 C ATOM 559 C GLU A 141 -10.979 -15.273 11.946 1.00 0.00 C ATOM 560 O GLU A 141 -10.093 -15.227 11.092 1.00 0.00 O ATOM 561 CB GLU A 141 -11.208 -13.365 13.547 1.00 0.00 C ATOM 562 CG GLU A 141 -12.676 -13.265 13.928 1.00 0.00 C ATOM 563 CD GLU A 141 -12.911 -13.495 15.409 1.00 0.00 C ATOM 564 OE1 GLU A 141 -12.007 -13.177 16.209 1.00 0.00 O ATOM 565 OE2 GLU A 141 -13.999 -13.993 15.766 1.00 0.00 O ATOM 0 H GLU A 141 -8.673 -14.641 12.937 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.265 -15.451 14.058 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -10.608 -12.875 14.314 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -11.045 -12.820 12.617 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -13.053 -12.280 13.653 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -13.247 -13.996 13.355 1.00 0.00 H new ATOM 572 N VAL A 142 -12.203 -15.726 11.694 1.00 0.00 N ATOM 573 CA VAL A 142 -12.584 -16.204 10.370 1.00 0.00 C ATOM 574 C VAL A 142 -13.967 -15.696 9.979 1.00 0.00 C ATOM 575 O VAL A 142 -14.982 -16.174 10.486 1.00 0.00 O ATOM 576 CB VAL A 142 -12.577 -17.743 10.306 1.00 0.00 C ATOM 577 CG1 VAL A 142 -12.925 -18.221 8.904 1.00 0.00 C ATOM 578 CG2 VAL A 142 -11.226 -18.288 10.744 1.00 0.00 C ATOM 0 H VAL A 142 -12.948 -15.772 12.389 1.00 0.00 H new ATOM 0 HA VAL A 142 -11.846 -15.815 9.668 1.00 0.00 H new ATOM 0 HB VAL A 142 -13.335 -18.121 10.991 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.915 -19.311 8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -13.917 -17.861 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -12.192 -17.835 8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.239 -19.377 10.693 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.447 -17.903 10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -11.022 -17.975 11.768 1.00 0.00 H new ATOM 588 N VAL A 143 -14.001 -14.724 9.073 1.00 0.00 N ATOM 589 CA VAL A 143 -15.260 -14.152 8.612 1.00 0.00 C ATOM 590 C VAL A 143 -15.760 -14.862 7.358 1.00 0.00 C ATOM 591 O VAL A 143 -14.986 -15.153 6.447 1.00 0.00 O ATOM 592 CB VAL A 143 -15.117 -12.648 8.314 1.00 0.00 C ATOM 593 CG1 VAL A 143 -16.462 -12.048 7.934 1.00 0.00 C ATOM 594 CG2 VAL A 143 -14.519 -11.922 9.510 1.00 0.00 C ATOM 0 H VAL A 143 -13.170 -14.316 8.644 1.00 0.00 H new ATOM 0 HA VAL A 143 -15.983 -14.289 9.416 1.00 0.00 H new ATOM 0 HB VAL A 143 -14.440 -12.526 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -16.341 -10.985 7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -16.846 -12.549 7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -17.165 -12.180 8.757 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -14.425 -10.860 9.282 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -15.168 -12.051 10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -13.534 -12.334 9.731 1.00 0.00 H new ATOM 604 N MET A 144 -17.059 -15.137 7.320 1.00 0.00 N ATOM 605 CA MET A 144 -17.664 -15.811 6.176 1.00 0.00 C ATOM 606 C MET A 144 -18.998 -15.170 5.810 1.00 0.00 C ATOM 607 O MET A 144 -19.807 -14.856 6.684 1.00 0.00 O ATOM 608 CB MET A 144 -17.864 -17.297 6.482 1.00 0.00 C ATOM 609 CG MET A 144 -16.605 -18.129 6.304 1.00 0.00 C ATOM 610 SD MET A 144 -16.946 -19.899 6.240 1.00 0.00 S ATOM 611 CE MET A 144 -16.181 -20.335 4.680 1.00 0.00 C ATOM 0 H MET A 144 -17.713 -14.904 8.067 1.00 0.00 H new ATOM 0 HA MET A 144 -16.989 -15.710 5.326 1.00 0.00 H new ATOM 0 HB2 MET A 144 -18.218 -17.404 7.507 1.00 0.00 H new ATOM 0 HB3 MET A 144 -18.645 -17.691 5.832 1.00 0.00 H new ATOM 0 HG2 MET A 144 -16.101 -17.827 5.386 1.00 0.00 H new ATOM 0 HG3 MET A 144 -15.920 -17.924 7.126 1.00 0.00 H new ATOM 0 HE1 MET A 144 -16.922 -20.799 4.029 1.00 0.00 H new ATOM 0 HE2 MET A 144 -15.790 -19.436 4.203 1.00 0.00 H new ATOM 0 HE3 MET A 144 -15.365 -21.036 4.858 1.00 0.00 H new ATOM 621 N ILE A 145 -19.222 -14.980 4.514 1.00 0.00 N ATOM 622 CA ILE A 145 -20.460 -14.377 4.034 1.00 0.00 C ATOM 623 C ILE A 145 -21.411 -15.436 3.488 1.00 0.00 C ATOM 624 O ILE A 145 -21.003 -16.326 2.741 1.00 0.00 O ATOM 625 CB ILE A 145 -20.188 -13.332 2.936 1.00 0.00 C ATOM 626 CG1 ILE A 145 -19.329 -12.192 3.488 1.00 0.00 C ATOM 627 CG2 ILE A 145 -21.498 -12.794 2.381 1.00 0.00 C ATOM 628 CD1 ILE A 145 -18.642 -11.379 2.414 1.00 0.00 C ATOM 0 H ILE A 145 -18.563 -15.235 3.778 1.00 0.00 H new ATOM 0 HA ILE A 145 -20.922 -13.882 4.888 1.00 0.00 H new ATOM 0 HB ILE A 145 -19.642 -13.813 2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 145 -19.957 -11.532 4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 145 -18.575 -12.607 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 145 -21.289 -12.056 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 145 -22.077 -13.614 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 145 -22.068 -12.326 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 145 -18.051 -10.589 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 145 -17.988 -12.026 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 145 -19.391 -10.934 1.759 1.00 0.00 H new ATOM 640 N TYR A 146 -22.681 -15.333 3.863 1.00 0.00 N ATOM 641 CA TYR A 146 -23.691 -16.283 3.411 1.00 0.00 C ATOM 642 C TYR A 146 -25.085 -15.843 3.847 1.00 0.00 C ATOM 643 O TYR A 146 -25.234 -14.973 4.705 1.00 0.00 O ATOM 644 CB TYR A 146 -23.390 -17.679 3.958 1.00 0.00 C ATOM 645 CG TYR A 146 -22.910 -17.677 5.392 1.00 0.00 C ATOM 646 CD1 TYR A 146 -23.625 -17.016 6.384 1.00 0.00 C ATOM 647 CD2 TYR A 146 -21.741 -18.334 5.755 1.00 0.00 C ATOM 648 CE1 TYR A 146 -23.189 -17.011 7.695 1.00 0.00 C ATOM 649 CE2 TYR A 146 -21.299 -18.336 7.064 1.00 0.00 C ATOM 650 CZ TYR A 146 -22.026 -17.673 8.030 1.00 0.00 C ATOM 651 OH TYR A 146 -21.588 -17.670 9.334 1.00 0.00 O ATOM 0 H TYR A 146 -23.036 -14.601 4.479 1.00 0.00 H new ATOM 0 HA TYR A 146 -23.663 -16.314 2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 146 -24.290 -18.290 3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 146 -22.633 -18.150 3.331 1.00 0.00 H new ATOM 0 HD1 TYR A 146 -24.537 -16.498 6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -21.168 -18.852 5.001 1.00 0.00 H new ATOM 0 HE1 TYR A 146 -23.756 -16.492 8.454 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -20.389 -18.854 7.329 1.00 0.00 H new ATOM 0 HH TYR A 146 -20.755 -18.182 9.401 1.00 0.00 H new ATOM 661 N ASP A 147 -26.104 -16.452 3.250 1.00 0.00 N ATOM 662 CA ASP A 147 -27.487 -16.126 3.576 1.00 0.00 C ATOM 663 C ASP A 147 -27.936 -16.860 4.836 1.00 0.00 C ATOM 664 O ASP A 147 -28.040 -18.086 4.847 1.00 0.00 O ATOM 665 CB ASP A 147 -28.407 -16.483 2.408 1.00 0.00 C ATOM 666 CG ASP A 147 -29.841 -16.055 2.648 1.00 0.00 C ATOM 667 OD1 ASP A 147 -30.065 -15.195 3.526 1.00 0.00 O ATOM 668 OD2 ASP A 147 -30.740 -16.578 1.957 1.00 0.00 O ATOM 0 H ASP A 147 -25.998 -17.174 2.538 1.00 0.00 H new ATOM 0 HA ASP A 147 -27.547 -15.053 3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -28.037 -16.008 1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -28.376 -17.560 2.241 1.00 0.00 H new ATOM 673 N ALA A 148 -28.199 -16.102 5.895 1.00 0.00 N ATOM 674 CA ALA A 148 -28.637 -16.680 7.159 1.00 0.00 C ATOM 675 C ALA A 148 -29.570 -17.864 6.927 1.00 0.00 C ATOM 676 O ALA A 148 -29.468 -18.887 7.603 1.00 0.00 O ATOM 677 CB ALA A 148 -29.323 -15.625 8.013 1.00 0.00 C ATOM 0 H ALA A 148 -28.116 -15.085 5.903 1.00 0.00 H new ATOM 0 HA ALA A 148 -27.756 -17.043 7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -29.645 -16.071 8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 148 -28.626 -14.812 8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -30.191 -15.234 7.481 1.00 0.00 H new ATOM 683 N GLU A 149 -30.478 -17.717 5.968 1.00 0.00 N ATOM 684 CA GLU A 149 -31.430 -18.775 5.649 1.00 0.00 C ATOM 685 C GLU A 149 -30.705 -20.060 5.259 1.00 0.00 C ATOM 686 O GLU A 149 -31.085 -21.153 5.678 1.00 0.00 O ATOM 687 CB GLU A 149 -32.355 -18.334 4.513 1.00 0.00 C ATOM 688 CG GLU A 149 -33.626 -17.653 4.993 1.00 0.00 C ATOM 689 CD GLU A 149 -33.404 -16.201 5.368 1.00 0.00 C ATOM 690 OE1 GLU A 149 -32.786 -15.948 6.423 1.00 0.00 O ATOM 691 OE2 GLU A 149 -33.849 -15.316 4.606 1.00 0.00 O ATOM 0 H GLU A 149 -30.575 -16.876 5.399 1.00 0.00 H new ATOM 0 HA GLU A 149 -32.028 -18.971 6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -31.813 -17.652 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -32.623 -19.205 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -34.382 -17.711 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -34.018 -18.191 5.856 1.00 0.00 H new ATOM 698 N LYS A 150 -29.657 -19.919 4.453 1.00 0.00 N ATOM 699 CA LYS A 150 -28.877 -21.067 4.006 1.00 0.00 C ATOM 700 C LYS A 150 -27.886 -21.503 5.080 1.00 0.00 C ATOM 701 O LYS A 150 -27.564 -22.685 5.196 1.00 0.00 O ATOM 702 CB LYS A 150 -28.129 -20.728 2.714 1.00 0.00 C ATOM 703 CG LYS A 150 -28.923 -21.029 1.455 1.00 0.00 C ATOM 704 CD LYS A 150 -30.132 -20.118 1.327 1.00 0.00 C ATOM 705 CE LYS A 150 -30.631 -20.052 -0.108 1.00 0.00 C ATOM 706 NZ LYS A 150 -31.517 -21.201 -0.441 1.00 0.00 N ATOM 0 H LYS A 150 -29.329 -19.021 4.097 1.00 0.00 H new ATOM 0 HA LYS A 150 -29.565 -21.891 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -27.866 -19.670 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -27.195 -21.289 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -28.282 -20.909 0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -29.250 -22.069 1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -30.931 -20.479 1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -29.872 -19.116 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -31.173 -19.119 -0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -29.779 -20.041 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -31.836 -21.119 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -30.992 -22.091 -0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -32.343 -21.197 0.191 1.00 0.00 H new ATOM 720 N GLN A 151 -27.407 -20.542 5.863 1.00 0.00 N ATOM 721 CA GLN A 151 -26.453 -20.828 6.928 1.00 0.00 C ATOM 722 C GLN A 151 -25.263 -21.618 6.394 1.00 0.00 C ATOM 723 O GLN A 151 -24.816 -22.582 7.016 1.00 0.00 O ATOM 724 CB GLN A 151 -27.134 -21.608 8.054 1.00 0.00 C ATOM 725 CG GLN A 151 -27.726 -20.721 9.137 1.00 0.00 C ATOM 726 CD GLN A 151 -27.692 -21.369 10.507 1.00 0.00 C ATOM 727 OE1 GLN A 151 -26.755 -21.167 11.279 1.00 0.00 O ATOM 728 NE2 GLN A 151 -28.717 -22.155 10.816 1.00 0.00 N ATOM 0 H GLN A 151 -27.664 -19.558 5.780 1.00 0.00 H new ATOM 0 HA GLN A 151 -26.089 -19.879 7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -27.925 -22.226 7.630 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -26.409 -22.285 8.506 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -27.177 -19.780 9.171 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -28.757 -20.479 8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -29.473 -22.295 10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -28.748 -22.619 11.724 1.00 0.00 H new ATOM 737 N ARG A 152 -24.754 -21.203 5.239 1.00 0.00 N ATOM 738 CA ARG A 152 -23.615 -21.873 4.621 1.00 0.00 C ATOM 739 C ARG A 152 -22.862 -20.921 3.696 1.00 0.00 C ATOM 740 O ARG A 152 -23.454 -20.141 2.951 1.00 0.00 O ATOM 741 CB ARG A 152 -24.083 -23.100 3.837 1.00 0.00 C ATOM 742 CG ARG A 152 -23.217 -23.416 2.628 1.00 0.00 C ATOM 743 CD ARG A 152 -23.331 -24.879 2.229 1.00 0.00 C ATOM 744 NE ARG A 152 -22.517 -25.743 3.080 1.00 0.00 N ATOM 745 CZ ARG A 152 -21.196 -25.836 2.983 1.00 0.00 C ATOM 746 NH1 ARG A 152 -20.542 -25.120 2.078 1.00 0.00 N ATOM 747 NH2 ARG A 152 -20.525 -26.645 3.793 1.00 0.00 N ATOM 0 H ARG A 152 -25.112 -20.406 4.712 1.00 0.00 H new ATOM 0 HA ARG A 152 -22.939 -22.193 5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -24.093 -23.964 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -25.109 -22.940 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -23.515 -22.785 1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -22.177 -23.179 2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -24.374 -25.191 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -23.021 -24.997 1.191 1.00 0.00 H new ATOM 0 HE ARG A 152 -22.989 -26.306 3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -21.054 -24.496 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -19.527 -25.193 2.006 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -21.024 -27.196 4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -19.510 -26.716 3.717 1.00 0.00 H new ATOM 761 N PRO A 153 -21.523 -20.987 3.744 1.00 0.00 N ATOM 762 CA PRO A 153 -20.659 -20.139 2.917 1.00 0.00 C ATOM 763 C PRO A 153 -20.722 -20.512 1.440 1.00 0.00 C ATOM 764 O PRO A 153 -20.251 -21.576 1.038 1.00 0.00 O ATOM 765 CB PRO A 153 -19.259 -20.405 3.477 1.00 0.00 C ATOM 766 CG PRO A 153 -19.346 -21.764 4.082 1.00 0.00 C ATOM 767 CD PRO A 153 -20.749 -21.894 4.608 1.00 0.00 C ATOM 0 HA PRO A 153 -20.957 -19.091 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 153 -18.505 -20.369 2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 153 -18.981 -19.658 4.220 1.00 0.00 H new ATOM 0 HG2 PRO A 153 -19.134 -22.535 3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 153 -18.616 -21.882 4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 153 -21.110 -22.920 4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 153 -20.814 -21.603 5.656 1.00 0.00 H new ATOM 775 N ARG A 154 -21.307 -19.630 0.636 1.00 0.00 N ATOM 776 CA ARG A 154 -21.433 -19.868 -0.797 1.00 0.00 C ATOM 777 C ARG A 154 -20.080 -20.219 -1.410 1.00 0.00 C ATOM 778 O ARG A 154 -19.938 -21.237 -2.086 1.00 0.00 O ATOM 779 CB ARG A 154 -22.015 -18.636 -1.491 1.00 0.00 C ATOM 780 CG ARG A 154 -23.365 -18.207 -0.938 1.00 0.00 C ATOM 781 CD ARG A 154 -23.711 -16.786 -1.355 1.00 0.00 C ATOM 782 NE ARG A 154 -25.154 -16.566 -1.405 1.00 0.00 N ATOM 783 CZ ARG A 154 -25.723 -15.571 -2.076 1.00 0.00 C ATOM 784 NH1 ARG A 154 -24.974 -14.708 -2.750 1.00 0.00 N ATOM 785 NH2 ARG A 154 -27.043 -15.437 -2.074 1.00 0.00 N ATOM 0 H ARG A 154 -21.701 -18.744 0.953 1.00 0.00 H new ATOM 0 HA ARG A 154 -22.109 -20.711 -0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -21.312 -17.809 -1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -22.117 -18.844 -2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -24.138 -18.890 -1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -23.352 -18.275 0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -23.261 -16.083 -0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -23.279 -16.580 -2.334 1.00 0.00 H new ATOM 0 HE ARG A 154 -25.758 -17.212 -0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -23.959 -14.808 -2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -25.413 -13.945 -3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -27.622 -16.099 -1.557 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -27.479 -14.672 -2.590 1.00 0.00 H new ATOM 799 N GLY A 155 -19.088 -19.366 -1.169 1.00 0.00 N ATOM 800 CA GLY A 155 -17.760 -19.603 -1.705 1.00 0.00 C ATOM 801 C GLY A 155 -16.889 -18.363 -1.664 1.00 0.00 C ATOM 802 O GLY A 155 -16.147 -18.085 -2.606 1.00 0.00 O ATOM 0 H GLY A 155 -19.180 -18.516 -0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -17.279 -20.400 -1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -17.844 -19.951 -2.735 1.00 0.00 H new ATOM 806 N PHE A 156 -16.979 -17.615 -0.569 1.00 0.00 N ATOM 807 CA PHE A 156 -16.194 -16.396 -0.409 1.00 0.00 C ATOM 808 C PHE A 156 -16.282 -15.877 1.023 1.00 0.00 C ATOM 809 O PHE A 156 -17.159 -16.277 1.788 1.00 0.00 O ATOM 810 CB PHE A 156 -16.679 -15.321 -1.384 1.00 0.00 C ATOM 811 CG PHE A 156 -18.158 -15.072 -1.315 1.00 0.00 C ATOM 812 CD1 PHE A 156 -19.035 -15.809 -2.095 1.00 0.00 C ATOM 813 CD2 PHE A 156 -18.673 -14.102 -0.470 1.00 0.00 C ATOM 814 CE1 PHE A 156 -20.397 -15.581 -2.034 1.00 0.00 C ATOM 815 CE2 PHE A 156 -20.034 -13.870 -0.404 1.00 0.00 C ATOM 816 CZ PHE A 156 -20.897 -14.612 -1.187 1.00 0.00 C ATOM 0 H PHE A 156 -17.587 -17.831 0.221 1.00 0.00 H new ATOM 0 HA PHE A 156 -15.153 -16.632 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -16.152 -14.390 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -16.416 -15.617 -2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -18.650 -16.570 -2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -18.002 -13.520 0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -21.070 -16.161 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -20.422 -13.110 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 156 -21.961 -14.434 -1.137 1.00 0.00 H new ATOM 826 N GLY A 157 -15.365 -14.983 1.379 1.00 0.00 N ATOM 827 CA GLY A 157 -15.355 -14.423 2.718 1.00 0.00 C ATOM 828 C GLY A 157 -14.024 -13.789 3.072 1.00 0.00 C ATOM 829 O GLY A 157 -13.251 -13.416 2.188 1.00 0.00 O ATOM 0 H GLY A 157 -14.629 -14.636 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 157 -16.144 -13.675 2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 157 -15.583 -15.208 3.439 1.00 0.00 H new ATOM 833 N PHE A 158 -13.755 -13.665 4.367 1.00 0.00 N ATOM 834 CA PHE A 158 -12.509 -13.070 4.836 1.00 0.00 C ATOM 835 C PHE A 158 -11.957 -13.836 6.034 1.00 0.00 C ATOM 836 O PHE A 158 -12.631 -14.699 6.597 1.00 0.00 O ATOM 837 CB PHE A 158 -12.730 -11.603 5.212 1.00 0.00 C ATOM 838 CG PHE A 158 -13.371 -10.794 4.120 1.00 0.00 C ATOM 839 CD1 PHE A 158 -14.711 -10.964 3.809 1.00 0.00 C ATOM 840 CD2 PHE A 158 -12.634 -9.864 3.405 1.00 0.00 C ATOM 841 CE1 PHE A 158 -15.302 -10.222 2.805 1.00 0.00 C ATOM 842 CE2 PHE A 158 -13.220 -9.119 2.400 1.00 0.00 C ATOM 843 CZ PHE A 158 -14.556 -9.297 2.100 1.00 0.00 C ATOM 0 H PHE A 158 -14.383 -13.969 5.111 1.00 0.00 H new ATOM 0 HA PHE A 158 -11.782 -13.125 4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -13.355 -11.555 6.104 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -11.771 -11.154 5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -15.299 -11.684 4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -11.589 -9.720 3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -16.347 -10.365 2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -12.634 -8.398 1.850 1.00 0.00 H new ATOM 0 HZ PHE A 158 -15.017 -8.714 1.316 1.00 0.00 H new ATOM 853 N ILE A 159 -10.726 -13.515 6.418 1.00 0.00 N ATOM 854 CA ILE A 159 -10.083 -14.172 7.549 1.00 0.00 C ATOM 855 C ILE A 159 -9.052 -13.257 8.203 1.00 0.00 C ATOM 856 O ILE A 159 -8.275 -12.591 7.519 1.00 0.00 O ATOM 857 CB ILE A 159 -9.394 -15.481 7.122 1.00 0.00 C ATOM 858 CG1 ILE A 159 -10.381 -16.384 6.380 1.00 0.00 C ATOM 859 CG2 ILE A 159 -8.820 -16.198 8.335 1.00 0.00 C ATOM 860 CD1 ILE A 159 -9.859 -17.784 6.143 1.00 0.00 C ATOM 0 H ILE A 159 -10.154 -12.804 5.962 1.00 0.00 H new ATOM 0 HA ILE A 159 -10.869 -14.403 8.269 1.00 0.00 H new ATOM 0 HB ILE A 159 -8.574 -15.239 6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -11.308 -16.442 6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -10.626 -15.929 5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -8.336 -17.121 8.017 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -8.088 -15.555 8.825 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -9.623 -16.431 9.034 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -10.611 -18.368 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -8.949 -17.737 5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -9.641 -18.258 7.100 1.00 0.00 H new ATOM 872 N THR A 160 -9.050 -13.232 9.532 1.00 0.00 N ATOM 873 CA THR A 160 -8.115 -12.400 10.279 1.00 0.00 C ATOM 874 C THR A 160 -7.003 -13.241 10.895 1.00 0.00 C ATOM 875 O THR A 160 -7.256 -14.306 11.460 1.00 0.00 O ATOM 876 CB THR A 160 -8.829 -11.616 11.396 1.00 0.00 C ATOM 877 OG1 THR A 160 -9.988 -10.959 10.870 1.00 0.00 O ATOM 878 CG2 THR A 160 -7.896 -10.588 12.017 1.00 0.00 C ATOM 0 H THR A 160 -9.686 -13.778 10.113 1.00 0.00 H new ATOM 0 HA THR A 160 -7.683 -11.694 9.569 1.00 0.00 H new ATOM 0 HB THR A 160 -9.132 -12.323 12.169 1.00 0.00 H new ATOM 0 HG1 THR A 160 -10.437 -10.464 11.587 1.00 0.00 H new ATOM 0 HG21 THR A 160 -8.422 -10.047 12.803 1.00 0.00 H new ATOM 0 HG22 THR A 160 -7.029 -11.094 12.442 1.00 0.00 H new ATOM 0 HG23 THR A 160 -7.567 -9.886 11.251 1.00 0.00 H new ATOM 886 N PHE A 161 -5.770 -12.757 10.784 1.00 0.00 N ATOM 887 CA PHE A 161 -4.619 -13.465 11.331 1.00 0.00 C ATOM 888 C PHE A 161 -4.127 -12.797 12.611 1.00 0.00 C ATOM 889 O PHE A 161 -4.617 -11.736 12.997 1.00 0.00 O ATOM 890 CB PHE A 161 -3.488 -13.515 10.301 1.00 0.00 C ATOM 891 CG PHE A 161 -3.756 -14.454 9.161 1.00 0.00 C ATOM 892 CD1 PHE A 161 -4.695 -14.139 8.192 1.00 0.00 C ATOM 893 CD2 PHE A 161 -3.069 -15.653 9.057 1.00 0.00 C ATOM 894 CE1 PHE A 161 -4.944 -15.002 7.142 1.00 0.00 C ATOM 895 CE2 PHE A 161 -3.314 -16.521 8.009 1.00 0.00 C ATOM 896 CZ PHE A 161 -4.252 -16.194 7.049 1.00 0.00 C ATOM 0 H PHE A 161 -5.543 -11.877 10.320 1.00 0.00 H new ATOM 0 HA PHE A 161 -4.930 -14.482 11.570 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.324 -12.513 9.905 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -2.566 -13.815 10.800 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -5.239 -13.208 8.258 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.333 -15.913 9.804 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -5.679 -14.745 6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -2.773 -17.453 7.941 1.00 0.00 H new ATOM 0 HZ PHE A 161 -4.444 -16.869 6.228 1.00 0.00 H new ATOM 906 N GLU A 162 -3.156 -13.427 13.265 1.00 0.00 N ATOM 907 CA GLU A 162 -2.599 -12.894 14.503 1.00 0.00 C ATOM 908 C GLU A 162 -1.645 -11.737 14.217 1.00 0.00 C ATOM 909 O GLU A 162 -1.633 -10.736 14.933 1.00 0.00 O ATOM 910 CB GLU A 162 -1.867 -13.994 15.274 1.00 0.00 C ATOM 911 CG GLU A 162 -1.434 -13.575 16.669 1.00 0.00 C ATOM 912 CD GLU A 162 -2.606 -13.396 17.615 1.00 0.00 C ATOM 913 OE1 GLU A 162 -3.031 -14.398 18.228 1.00 0.00 O ATOM 914 OE2 GLU A 162 -3.099 -12.256 17.741 1.00 0.00 O ATOM 0 H GLU A 162 -2.739 -14.306 12.959 1.00 0.00 H new ATOM 0 HA GLU A 162 -3.423 -12.521 15.111 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -2.517 -14.866 15.351 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -0.988 -14.300 14.707 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -0.755 -14.325 17.075 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -0.876 -12.641 16.607 1.00 0.00 H new ATOM 921 N ASP A 163 -0.846 -11.884 13.165 1.00 0.00 N ATOM 922 CA ASP A 163 0.111 -10.852 12.783 1.00 0.00 C ATOM 923 C ASP A 163 -0.051 -10.478 11.313 1.00 0.00 C ATOM 924 O ASP A 163 -0.226 -11.346 10.458 1.00 0.00 O ATOM 925 CB ASP A 163 1.540 -11.331 13.046 1.00 0.00 C ATOM 926 CG ASP A 163 2.015 -10.994 14.446 1.00 0.00 C ATOM 927 OD1 ASP A 163 1.695 -11.758 15.380 1.00 0.00 O ATOM 928 OD2 ASP A 163 2.706 -9.966 14.607 1.00 0.00 O ATOM 0 H ASP A 163 -0.842 -12.707 12.562 1.00 0.00 H new ATOM 0 HA ASP A 163 -0.085 -9.967 13.388 1.00 0.00 H new ATOM 0 HB2 ASP A 163 1.592 -12.410 12.898 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.212 -10.877 12.318 1.00 0.00 H new ATOM 933 N GLU A 164 0.008 -9.181 11.028 1.00 0.00 N ATOM 934 CA GLU A 164 -0.134 -8.693 9.661 1.00 0.00 C ATOM 935 C GLU A 164 0.690 -9.537 8.693 1.00 0.00 C ATOM 936 O GLU A 164 0.210 -9.924 7.628 1.00 0.00 O ATOM 937 CB GLU A 164 0.296 -7.228 9.572 1.00 0.00 C ATOM 938 CG GLU A 164 -0.066 -6.566 8.253 1.00 0.00 C ATOM 939 CD GLU A 164 0.900 -6.919 7.138 1.00 0.00 C ATOM 940 OE1 GLU A 164 2.060 -7.264 7.445 1.00 0.00 O ATOM 941 OE2 GLU A 164 0.495 -6.851 5.959 1.00 0.00 O ATOM 0 H GLU A 164 0.153 -8.450 11.724 1.00 0.00 H new ATOM 0 HA GLU A 164 -1.184 -8.773 9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -0.167 -6.672 10.387 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.375 -7.165 9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -1.073 -6.866 7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -0.082 -5.484 8.386 1.00 0.00 H new ATOM 948 N GLN A 165 1.933 -9.816 9.072 1.00 0.00 N ATOM 949 CA GLN A 165 2.825 -10.613 8.238 1.00 0.00 C ATOM 950 C GLN A 165 2.059 -11.726 7.531 1.00 0.00 C ATOM 951 O GLN A 165 2.104 -11.843 6.306 1.00 0.00 O ATOM 952 CB GLN A 165 3.952 -11.209 9.083 1.00 0.00 C ATOM 953 CG GLN A 165 5.152 -11.661 8.266 1.00 0.00 C ATOM 954 CD GLN A 165 5.937 -10.499 7.692 1.00 0.00 C ATOM 955 OE1 GLN A 165 5.413 -9.395 7.539 1.00 0.00 O ATOM 956 NE2 GLN A 165 7.202 -10.741 7.369 1.00 0.00 N ATOM 0 H GLN A 165 2.345 -9.502 9.951 1.00 0.00 H new ATOM 0 HA GLN A 165 3.257 -9.957 7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 165 4.278 -10.468 9.813 1.00 0.00 H new ATOM 0 HB3 GLN A 165 3.564 -12.059 9.644 1.00 0.00 H new ATOM 0 HG2 GLN A 165 5.808 -12.263 8.894 1.00 0.00 H new ATOM 0 HG3 GLN A 165 4.812 -12.302 7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 165 7.596 -11.671 7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 165 7.780 -9.997 6.977 1.00 0.00 H new ATOM 965 N SER A 166 1.358 -12.543 8.311 1.00 0.00 N ATOM 966 CA SER A 166 0.586 -13.650 7.760 1.00 0.00 C ATOM 967 C SER A 166 -0.220 -13.199 6.545 1.00 0.00 C ATOM 968 O SER A 166 -0.192 -13.839 5.494 1.00 0.00 O ATOM 969 CB SER A 166 -0.352 -14.225 8.823 1.00 0.00 C ATOM 970 OG SER A 166 0.344 -14.487 10.029 1.00 0.00 O ATOM 0 H SER A 166 1.309 -12.459 9.326 1.00 0.00 H new ATOM 0 HA SER A 166 1.284 -14.425 7.444 1.00 0.00 H new ATOM 0 HB2 SER A 166 -1.164 -13.524 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 166 -0.805 -15.145 8.454 1.00 0.00 H new ATOM 0 HG SER A 166 -0.298 -14.699 10.738 1.00 0.00 H new ATOM 976 N VAL A 167 -0.939 -12.091 6.698 1.00 0.00 N ATOM 977 CA VAL A 167 -1.753 -11.552 5.615 1.00 0.00 C ATOM 978 C VAL A 167 -0.955 -11.467 4.319 1.00 0.00 C ATOM 979 O VAL A 167 -1.427 -11.880 3.259 1.00 0.00 O ATOM 980 CB VAL A 167 -2.296 -10.154 5.963 1.00 0.00 C ATOM 981 CG1 VAL A 167 -2.970 -9.526 4.753 1.00 0.00 C ATOM 982 CG2 VAL A 167 -3.259 -10.234 7.138 1.00 0.00 C ATOM 0 H VAL A 167 -0.974 -11.549 7.562 1.00 0.00 H new ATOM 0 HA VAL A 167 -2.591 -12.235 5.479 1.00 0.00 H new ATOM 0 HB VAL A 167 -1.458 -9.520 6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -3.347 -8.538 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -2.248 -9.433 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -3.799 -10.156 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -3.633 -9.237 7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -4.095 -10.884 6.880 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -2.740 -10.638 8.007 1.00 0.00 H new ATOM 992 N ASP A 168 0.256 -10.929 4.410 1.00 0.00 N ATOM 993 CA ASP A 168 1.121 -10.791 3.244 1.00 0.00 C ATOM 994 C ASP A 168 1.477 -12.157 2.667 1.00 0.00 C ATOM 995 O ASP A 168 1.356 -12.382 1.463 1.00 0.00 O ATOM 996 CB ASP A 168 2.397 -10.032 3.616 1.00 0.00 C ATOM 997 CG ASP A 168 2.150 -8.550 3.820 1.00 0.00 C ATOM 998 OD1 ASP A 168 1.797 -7.867 2.836 1.00 0.00 O ATOM 999 OD2 ASP A 168 2.310 -8.074 4.963 1.00 0.00 O ATOM 0 H ASP A 168 0.661 -10.581 5.279 1.00 0.00 H new ATOM 0 HA ASP A 168 0.580 -10.226 2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 168 2.816 -10.457 4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 168 3.140 -10.169 2.830 1.00 0.00 H new ATOM 1004 N GLN A 169 1.918 -13.063 3.533 1.00 0.00 N ATOM 1005 CA GLN A 169 2.293 -14.407 3.108 1.00 0.00 C ATOM 1006 C GLN A 169 1.221 -15.012 2.208 1.00 0.00 C ATOM 1007 O GLN A 169 1.521 -15.546 1.141 1.00 0.00 O ATOM 1008 CB GLN A 169 2.522 -15.305 4.325 1.00 0.00 C ATOM 1009 CG GLN A 169 3.592 -14.786 5.271 1.00 0.00 C ATOM 1010 CD GLN A 169 4.994 -15.146 4.821 1.00 0.00 C ATOM 1011 OE1 GLN A 169 5.454 -16.270 5.024 1.00 0.00 O ATOM 1012 NE2 GLN A 169 5.682 -14.192 4.204 1.00 0.00 N ATOM 0 H GLN A 169 2.025 -12.891 4.533 1.00 0.00 H new ATOM 0 HA GLN A 169 3.220 -14.336 2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 169 1.585 -15.408 4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 169 2.803 -16.301 3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 169 3.507 -13.702 5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 169 3.419 -15.193 6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 169 5.262 -13.274 4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 169 6.630 -14.377 3.878 1.00 0.00 H new ATOM 1021 N ALA A 170 -0.030 -14.926 2.647 1.00 0.00 N ATOM 1022 CA ALA A 170 -1.147 -15.464 1.881 1.00 0.00 C ATOM 1023 C ALA A 170 -1.466 -14.580 0.680 1.00 0.00 C ATOM 1024 O ALA A 170 -1.694 -15.074 -0.425 1.00 0.00 O ATOM 1025 CB ALA A 170 -2.374 -15.613 2.769 1.00 0.00 C ATOM 0 H ALA A 170 -0.295 -14.489 3.529 1.00 0.00 H new ATOM 0 HA ALA A 170 -0.859 -16.447 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 170 -3.200 -16.016 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 170 -2.148 -16.291 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 170 -2.654 -14.639 3.169 1.00 0.00 H new ATOM 1031 N VAL A 171 -1.481 -13.269 0.903 1.00 0.00 N ATOM 1032 CA VAL A 171 -1.772 -12.316 -0.161 1.00 0.00 C ATOM 1033 C VAL A 171 -0.831 -12.510 -1.345 1.00 0.00 C ATOM 1034 O VAL A 171 -1.266 -12.831 -2.450 1.00 0.00 O ATOM 1035 CB VAL A 171 -1.657 -10.864 0.340 1.00 0.00 C ATOM 1036 CG1 VAL A 171 -1.583 -9.899 -0.833 1.00 0.00 C ATOM 1037 CG2 VAL A 171 -2.826 -10.520 1.251 1.00 0.00 C ATOM 0 H VAL A 171 -1.295 -12.843 1.811 1.00 0.00 H new ATOM 0 HA VAL A 171 -2.797 -12.502 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 171 -0.737 -10.769 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -1.502 -8.878 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -0.710 -10.133 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -2.484 -9.993 -1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -2.728 -9.490 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -3.761 -10.631 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -2.828 -11.191 2.110 1.00 0.00 H new ATOM 1047 N ASN A 172 0.461 -12.314 -1.105 1.00 0.00 N ATOM 1048 CA ASN A 172 1.465 -12.467 -2.151 1.00 0.00 C ATOM 1049 C ASN A 172 1.106 -13.620 -3.084 1.00 0.00 C ATOM 1050 O ASN A 172 1.004 -13.441 -4.297 1.00 0.00 O ATOM 1051 CB ASN A 172 2.844 -12.706 -1.534 1.00 0.00 C ATOM 1052 CG ASN A 172 3.968 -12.185 -2.409 1.00 0.00 C ATOM 1053 OD1 ASN A 172 4.574 -12.937 -3.172 1.00 0.00 O ATOM 1054 ND2 ASN A 172 4.251 -10.892 -2.301 1.00 0.00 N ATOM 0 H ASN A 172 0.837 -12.049 -0.195 1.00 0.00 H new ATOM 0 HA ASN A 172 1.490 -11.546 -2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 172 2.892 -12.221 -0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 172 2.983 -13.774 -1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 172 4.997 -10.485 -2.864 1.00 0.00 H new ATOM 0 HD22 ASN A 172 3.722 -10.306 -1.655 1.00 0.00 H new ATOM 1061 N MET A 173 0.916 -14.802 -2.508 1.00 0.00 N ATOM 1062 CA MET A 173 0.567 -15.984 -3.288 1.00 0.00 C ATOM 1063 C MET A 173 -0.681 -15.732 -4.128 1.00 0.00 C ATOM 1064 O MET A 173 -0.734 -16.096 -5.303 1.00 0.00 O ATOM 1065 CB MET A 173 0.341 -17.183 -2.364 1.00 0.00 C ATOM 1066 CG MET A 173 1.605 -17.657 -1.664 1.00 0.00 C ATOM 1067 SD MET A 173 1.275 -18.906 -0.407 1.00 0.00 S ATOM 1068 CE MET A 173 0.852 -20.314 -1.430 1.00 0.00 C ATOM 0 H MET A 173 0.998 -14.967 -1.505 1.00 0.00 H new ATOM 0 HA MET A 173 1.397 -16.204 -3.960 1.00 0.00 H new ATOM 0 HB2 MET A 173 -0.403 -16.917 -1.613 1.00 0.00 H new ATOM 0 HB3 MET A 173 -0.073 -18.007 -2.946 1.00 0.00 H new ATOM 0 HG2 MET A 173 2.294 -18.065 -2.404 1.00 0.00 H new ATOM 0 HG3 MET A 173 2.101 -16.804 -1.202 1.00 0.00 H new ATOM 0 HE1 MET A 173 0.743 -21.199 -0.803 1.00 0.00 H new ATOM 0 HE2 MET A 173 -0.087 -20.118 -1.948 1.00 0.00 H new ATOM 0 HE3 MET A 173 1.642 -20.483 -2.162 1.00 0.00 H new ATOM 1078 N HIS A 174 -1.683 -15.108 -3.517 1.00 0.00 N ATOM 1079 CA HIS A 174 -2.932 -14.808 -4.210 1.00 0.00 C ATOM 1080 C HIS A 174 -3.580 -16.083 -4.739 1.00 0.00 C ATOM 1081 O HIS A 174 -4.344 -16.049 -5.704 1.00 0.00 O ATOM 1082 CB HIS A 174 -2.679 -13.834 -5.362 1.00 0.00 C ATOM 1083 CG HIS A 174 -3.913 -13.491 -6.138 1.00 0.00 C ATOM 1084 ND1 HIS A 174 -3.889 -13.129 -7.468 1.00 0.00 N ATOM 1085 CD2 HIS A 174 -5.213 -13.459 -5.764 1.00 0.00 C ATOM 1086 CE1 HIS A 174 -5.121 -12.887 -7.878 1.00 0.00 C ATOM 1087 NE2 HIS A 174 -5.944 -13.080 -6.863 1.00 0.00 N ATOM 0 H HIS A 174 -1.655 -14.800 -2.545 1.00 0.00 H new ATOM 0 HA HIS A 174 -3.613 -14.345 -3.496 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -2.244 -12.918 -4.963 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -1.943 -14.268 -6.039 1.00 0.00 H new ATOM 0 HD1 HIS A 174 -3.051 -13.059 -8.045 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -5.603 -13.689 -4.784 1.00 0.00 H new ATOM 0 HE1 HIS A 174 -5.407 -12.583 -8.874 1.00 0.00 H new ATOM 1095 N PHE A 175 -3.270 -17.207 -4.102 1.00 0.00 N ATOM 1096 CA PHE A 175 -3.821 -18.494 -4.510 1.00 0.00 C ATOM 1097 C PHE A 175 -3.514 -19.570 -3.472 1.00 0.00 C ATOM 1098 O PHE A 175 -2.521 -19.487 -2.749 1.00 0.00 O ATOM 1099 CB PHE A 175 -3.257 -18.906 -5.871 1.00 0.00 C ATOM 1100 CG PHE A 175 -3.979 -18.285 -7.032 1.00 0.00 C ATOM 1101 CD1 PHE A 175 -5.364 -18.277 -7.079 1.00 0.00 C ATOM 1102 CD2 PHE A 175 -3.273 -17.709 -8.076 1.00 0.00 C ATOM 1103 CE1 PHE A 175 -6.030 -17.706 -8.147 1.00 0.00 C ATOM 1104 CE2 PHE A 175 -3.934 -17.136 -9.146 1.00 0.00 C ATOM 1105 CZ PHE A 175 -5.315 -17.134 -9.181 1.00 0.00 C ATOM 0 H PHE A 175 -2.640 -17.253 -3.301 1.00 0.00 H new ATOM 0 HA PHE A 175 -4.903 -18.389 -4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 175 -2.204 -18.629 -5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 175 -3.305 -19.991 -5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 175 -5.929 -18.722 -6.273 1.00 0.00 H new ATOM 0 HD2 PHE A 175 -2.193 -17.708 -8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 175 -7.110 -17.707 -8.173 1.00 0.00 H new ATOM 0 HE2 PHE A 175 -3.372 -16.691 -9.953 1.00 0.00 H new ATOM 0 HZ PHE A 175 -5.834 -16.686 -10.015 1.00 0.00 H new ATOM 1115 N HIS A 176 -4.375 -20.582 -3.405 1.00 0.00 N ATOM 1116 CA HIS A 176 -4.196 -21.675 -2.456 1.00 0.00 C ATOM 1117 C HIS A 176 -4.957 -22.917 -2.910 1.00 0.00 C ATOM 1118 O HIS A 176 -5.948 -22.820 -3.635 1.00 0.00 O ATOM 1119 CB HIS A 176 -4.669 -21.253 -1.065 1.00 0.00 C ATOM 1120 CG HIS A 176 -3.992 -20.020 -0.550 1.00 0.00 C ATOM 1121 ND1 HIS A 176 -4.356 -18.718 -0.615 1.00 0.00 N flip ATOM 1122 CD2 HIS A 176 -2.788 -20.048 0.122 1.00 0.00 C flip ATOM 1123 CE1 HIS A 176 -3.376 -17.990 0.015 1.00 0.00 C flip ATOM 1124 NE2 HIS A 176 -2.442 -18.816 0.450 1.00 0.00 N flip ATOM 0 H HIS A 176 -5.202 -20.667 -3.996 1.00 0.00 H new ATOM 0 HA HIS A 176 -3.134 -21.916 -2.412 1.00 0.00 H new ATOM 0 HB2 HIS A 176 -5.745 -21.082 -1.093 1.00 0.00 H new ATOM 0 HB3 HIS A 176 -4.494 -22.072 -0.367 1.00 0.00 H new ATOM 0 HD2 HIS A 176 -2.218 -20.938 0.345 1.00 0.00 H new ATOM 0 HE1 HIS A 176 -3.370 -16.917 0.135 1.00 0.00 H new ATOM 0 HE2 HIS A 176 -1.597 -18.548 0.954 1.00 0.00 H new ATOM 1132 N ASP A 177 -4.487 -24.083 -2.480 1.00 0.00 N ATOM 1133 CA ASP A 177 -5.124 -25.344 -2.842 1.00 0.00 C ATOM 1134 C ASP A 177 -5.776 -25.992 -1.625 1.00 0.00 C ATOM 1135 O ASP A 177 -5.126 -26.720 -0.873 1.00 0.00 O ATOM 1136 CB ASP A 177 -4.099 -26.299 -3.455 1.00 0.00 C ATOM 1137 CG ASP A 177 -3.553 -25.792 -4.776 1.00 0.00 C ATOM 1138 OD1 ASP A 177 -2.571 -25.021 -4.754 1.00 0.00 O ATOM 1139 OD2 ASP A 177 -4.108 -26.166 -5.830 1.00 0.00 O ATOM 0 H ASP A 177 -3.668 -24.181 -1.881 1.00 0.00 H new ATOM 0 HA ASP A 177 -5.899 -25.133 -3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -3.275 -26.441 -2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -4.561 -27.275 -3.606 1.00 0.00 H new ATOM 1144 N ILE A 178 -7.063 -25.723 -1.436 1.00 0.00 N ATOM 1145 CA ILE A 178 -7.803 -26.280 -0.310 1.00 0.00 C ATOM 1146 C ILE A 178 -8.821 -27.314 -0.779 1.00 0.00 C ATOM 1147 O ILE A 178 -9.768 -26.988 -1.493 1.00 0.00 O ATOM 1148 CB ILE A 178 -8.534 -25.180 0.482 1.00 0.00 C ATOM 1149 CG1 ILE A 178 -7.538 -24.126 0.971 1.00 0.00 C ATOM 1150 CG2 ILE A 178 -9.290 -25.786 1.656 1.00 0.00 C ATOM 1151 CD1 ILE A 178 -8.193 -22.838 1.418 1.00 0.00 C ATOM 0 H ILE A 178 -7.615 -25.123 -2.048 1.00 0.00 H new ATOM 0 HA ILE A 178 -7.073 -26.761 0.341 1.00 0.00 H new ATOM 0 HB ILE A 178 -9.254 -24.695 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 178 -6.963 -24.538 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 178 -6.831 -23.906 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 178 -9.801 -24.996 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 178 -10.023 -26.503 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 178 -8.588 -26.293 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 178 -7.428 -22.137 1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 178 -8.746 -22.403 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 178 -8.879 -23.045 2.240 1.00 0.00 H new ATOM 1163 N MET A 179 -8.618 -28.563 -0.371 1.00 0.00 N ATOM 1164 CA MET A 179 -9.520 -29.645 -0.747 1.00 0.00 C ATOM 1165 C MET A 179 -9.558 -29.820 -2.261 1.00 0.00 C ATOM 1166 O MET A 179 -10.602 -30.127 -2.835 1.00 0.00 O ATOM 1167 CB MET A 179 -10.930 -29.370 -0.218 1.00 0.00 C ATOM 1168 CG MET A 179 -11.006 -29.293 1.298 1.00 0.00 C ATOM 1169 SD MET A 179 -12.628 -28.770 1.886 1.00 0.00 S ATOM 1170 CE MET A 179 -13.139 -30.220 2.805 1.00 0.00 C ATOM 0 H MET A 179 -7.837 -28.850 0.219 1.00 0.00 H new ATOM 0 HA MET A 179 -9.146 -30.567 -0.302 1.00 0.00 H new ATOM 0 HB2 MET A 179 -11.291 -28.432 -0.640 1.00 0.00 H new ATOM 0 HB3 MET A 179 -11.600 -30.155 -0.568 1.00 0.00 H new ATOM 0 HG2 MET A 179 -10.768 -30.270 1.720 1.00 0.00 H new ATOM 0 HG3 MET A 179 -10.250 -28.596 1.661 1.00 0.00 H new ATOM 0 HE1 MET A 179 -13.876 -29.934 3.556 1.00 0.00 H new ATOM 0 HE2 MET A 179 -13.580 -30.947 2.123 1.00 0.00 H new ATOM 0 HE3 MET A 179 -12.273 -30.663 3.297 1.00 0.00 H new ATOM 1180 N GLY A 180 -8.411 -29.622 -2.904 1.00 0.00 N ATOM 1181 CA GLY A 180 -8.335 -29.762 -4.347 1.00 0.00 C ATOM 1182 C GLY A 180 -9.093 -28.671 -5.076 1.00 0.00 C ATOM 1183 O GLY A 180 -9.905 -28.950 -5.959 1.00 0.00 O ATOM 0 H GLY A 180 -7.533 -29.367 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 180 -7.290 -29.743 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 180 -8.735 -30.734 -4.636 1.00 0.00 H new ATOM 1187 N LYS A 181 -8.830 -27.422 -4.706 1.00 0.00 N ATOM 1188 CA LYS A 181 -9.493 -26.283 -5.330 1.00 0.00 C ATOM 1189 C LYS A 181 -8.673 -25.009 -5.146 1.00 0.00 C ATOM 1190 O LYS A 181 -8.001 -24.832 -4.130 1.00 0.00 O ATOM 1191 CB LYS A 181 -10.891 -26.092 -4.737 1.00 0.00 C ATOM 1192 CG LYS A 181 -11.887 -25.488 -5.711 1.00 0.00 C ATOM 1193 CD LYS A 181 -11.880 -23.970 -5.647 1.00 0.00 C ATOM 1194 CE LYS A 181 -13.004 -23.372 -6.479 1.00 0.00 C ATOM 1195 NZ LYS A 181 -12.658 -22.015 -6.985 1.00 0.00 N ATOM 0 H LYS A 181 -8.162 -27.173 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 181 -9.583 -26.486 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 181 -11.267 -27.057 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 181 -10.820 -25.450 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 181 -11.648 -25.811 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 181 -12.887 -25.858 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 181 -11.982 -23.648 -4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 181 -10.921 -23.594 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 181 -13.222 -24.029 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 181 -13.911 -23.315 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 181 -13.113 -21.862 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 181 -12.993 -21.297 -6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 181 -11.626 -21.936 -7.090 1.00 0.00 H new ATOM 1209 N LYS A 182 -8.735 -24.124 -6.135 1.00 0.00 N ATOM 1210 CA LYS A 182 -8.002 -22.865 -6.082 1.00 0.00 C ATOM 1211 C LYS A 182 -8.795 -21.804 -5.326 1.00 0.00 C ATOM 1212 O LYS A 182 -9.884 -21.412 -5.746 1.00 0.00 O ATOM 1213 CB LYS A 182 -7.691 -22.372 -7.497 1.00 0.00 C ATOM 1214 CG LYS A 182 -6.457 -21.490 -7.577 1.00 0.00 C ATOM 1215 CD LYS A 182 -5.184 -22.291 -7.365 1.00 0.00 C ATOM 1216 CE LYS A 182 -4.773 -23.031 -8.628 1.00 0.00 C ATOM 1217 NZ LYS A 182 -3.939 -22.181 -9.523 1.00 0.00 N ATOM 0 H LYS A 182 -9.286 -24.256 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 182 -7.067 -23.041 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -7.554 -23.233 -8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -8.549 -21.817 -7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -6.422 -21.000 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -6.522 -20.703 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -4.380 -21.623 -7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -5.333 -23.006 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 182 -4.217 -23.929 -8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 182 -5.664 -23.357 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 -3.680 -22.722 -10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -4.478 -21.337 -9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -3.076 -21.890 -9.021 1.00 0.00 H new ATOM 1231 N VAL A 183 -8.242 -21.342 -4.209 1.00 0.00 N ATOM 1232 CA VAL A 183 -8.897 -20.324 -3.396 1.00 0.00 C ATOM 1233 C VAL A 183 -8.209 -18.972 -3.548 1.00 0.00 C ATOM 1234 O VAL A 183 -7.031 -18.825 -3.228 1.00 0.00 O ATOM 1235 CB VAL A 183 -8.909 -20.717 -1.907 1.00 0.00 C ATOM 1236 CG1 VAL A 183 -9.883 -19.843 -1.131 1.00 0.00 C ATOM 1237 CG2 VAL A 183 -9.257 -22.189 -1.748 1.00 0.00 C ATOM 0 H VAL A 183 -7.342 -21.657 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 183 -9.924 -20.247 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 183 -7.911 -20.557 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -9.877 -20.136 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -9.584 -18.799 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -10.887 -19.968 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 183 -9.261 -22.450 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 183 -10.243 -22.378 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 183 -8.516 -22.796 -2.268 1.00 0.00 H new ATOM 1247 N GLU A 184 -8.955 -17.987 -4.039 1.00 0.00 N ATOM 1248 CA GLU A 184 -8.416 -16.646 -4.234 1.00 0.00 C ATOM 1249 C GLU A 184 -8.300 -15.908 -2.904 1.00 0.00 C ATOM 1250 O GLU A 184 -9.158 -16.039 -2.031 1.00 0.00 O ATOM 1251 CB GLU A 184 -9.301 -15.851 -5.196 1.00 0.00 C ATOM 1252 CG GLU A 184 -8.542 -14.813 -6.005 1.00 0.00 C ATOM 1253 CD GLU A 184 -9.415 -14.126 -7.037 1.00 0.00 C ATOM 1254 OE1 GLU A 184 -10.574 -13.798 -6.711 1.00 0.00 O ATOM 1255 OE2 GLU A 184 -8.937 -13.915 -8.172 1.00 0.00 O ATOM 0 H GLU A 184 -9.933 -18.092 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 184 -7.419 -16.742 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 184 -9.793 -16.543 -5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 184 -10.086 -15.353 -4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 184 -8.126 -14.065 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 184 -7.701 -15.292 -6.507 1.00 0.00 H new ATOM 1262 N VAL A 185 -7.231 -15.131 -2.756 1.00 0.00 N ATOM 1263 CA VAL A 185 -7.001 -14.371 -1.533 1.00 0.00 C ATOM 1264 C VAL A 185 -6.305 -13.048 -1.831 1.00 0.00 C ATOM 1265 O VAL A 185 -5.265 -13.014 -2.489 1.00 0.00 O ATOM 1266 CB VAL A 185 -6.152 -15.170 -0.527 1.00 0.00 C ATOM 1267 CG1 VAL A 185 -5.670 -14.268 0.600 1.00 0.00 C ATOM 1268 CG2 VAL A 185 -6.944 -16.347 0.022 1.00 0.00 C ATOM 0 H VAL A 185 -6.511 -15.012 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 185 -7.979 -14.173 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 185 -5.277 -15.561 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -5.072 -14.850 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -5.063 -13.462 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -6.529 -13.845 1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -6.329 -16.900 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -7.838 -15.980 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -7.234 -17.005 -0.798 1.00 0.00 H new ATOM 1278 N LYS A 186 -6.886 -11.957 -1.342 1.00 0.00 N ATOM 1279 CA LYS A 186 -6.322 -10.629 -1.554 1.00 0.00 C ATOM 1280 C LYS A 186 -6.349 -9.815 -0.264 1.00 0.00 C ATOM 1281 O LYS A 186 -7.262 -9.954 0.550 1.00 0.00 O ATOM 1282 CB LYS A 186 -7.094 -9.893 -2.651 1.00 0.00 C ATOM 1283 CG LYS A 186 -7.058 -10.596 -3.997 1.00 0.00 C ATOM 1284 CD LYS A 186 -5.835 -10.192 -4.803 1.00 0.00 C ATOM 1285 CE LYS A 186 -6.059 -8.877 -5.534 1.00 0.00 C ATOM 1286 NZ LYS A 186 -5.087 -8.688 -6.646 1.00 0.00 N ATOM 0 H LYS A 186 -7.748 -11.967 -0.796 1.00 0.00 H new ATOM 0 HA LYS A 186 -5.285 -10.748 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -8.132 -9.778 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -6.682 -8.890 -2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -7.055 -11.675 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -7.961 -10.356 -4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -4.975 -10.099 -4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -5.598 -10.975 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -7.074 -8.850 -5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -5.970 -8.050 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -5.273 -7.781 -7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -4.119 -8.688 -6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -5.189 -9.463 -7.332 1.00 0.00 H new ATOM 1300 N ARG A 187 -5.344 -8.964 -0.085 1.00 0.00 N ATOM 1301 CA ARG A 187 -5.254 -8.127 1.105 1.00 0.00 C ATOM 1302 C ARG A 187 -6.519 -7.293 1.280 1.00 0.00 C ATOM 1303 O ARG A 187 -6.766 -6.355 0.522 1.00 0.00 O ATOM 1304 CB ARG A 187 -4.032 -7.210 1.018 1.00 0.00 C ATOM 1305 CG ARG A 187 -3.437 -6.860 2.372 1.00 0.00 C ATOM 1306 CD ARG A 187 -2.380 -5.773 2.251 1.00 0.00 C ATOM 1307 NE ARG A 187 -2.945 -4.509 1.788 1.00 0.00 N ATOM 1308 CZ ARG A 187 -2.288 -3.354 1.820 1.00 0.00 C ATOM 1309 NH1 ARG A 187 -1.050 -3.306 2.290 1.00 0.00 N ATOM 1310 NH2 ARG A 187 -2.870 -2.246 1.380 1.00 0.00 N ATOM 0 H ARG A 187 -4.581 -8.836 -0.749 1.00 0.00 H new ATOM 0 HA ARG A 187 -5.148 -8.780 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 187 -3.268 -7.693 0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 187 -4.314 -6.290 0.506 1.00 0.00 H new ATOM 0 HG2 ARG A 187 -4.228 -6.527 3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 187 -2.995 -7.751 2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 187 -1.902 -5.623 3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 187 -1.603 -6.098 1.559 1.00 0.00 H new ATOM 0 HE ARG A 187 -3.896 -4.512 1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 187 -0.600 -4.156 2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 187 -0.548 -2.419 2.314 1.00 0.00 H new ATOM 0 HH21 ARG A 187 -3.823 -2.280 1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 187 -2.365 -1.360 1.405 1.00 0.00 H new ATOM 1324 N ALA A 188 -7.317 -7.641 2.284 1.00 0.00 N ATOM 1325 CA ALA A 188 -8.555 -6.923 2.560 1.00 0.00 C ATOM 1326 C ALA A 188 -8.272 -5.505 3.044 1.00 0.00 C ATOM 1327 O ALA A 188 -7.320 -5.273 3.788 1.00 0.00 O ATOM 1328 CB ALA A 188 -9.385 -7.678 3.588 1.00 0.00 C ATOM 0 H ALA A 188 -7.128 -8.416 2.920 1.00 0.00 H new ATOM 0 HA ALA A 188 -9.121 -6.855 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 188 -10.307 -7.130 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 188 -9.627 -8.669 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 188 -8.817 -7.776 4.513 1.00 0.00 H new