USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 617 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 139 GLN : amide:sc= 1.48 K(o=2.3,f=-6.1!) USER MOD Set 1.2: A 175 LYS NZ :NH3+ 138:sc= 0.857 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.755 X(o=-0.75,f=-0.48) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.765 K(o=0.77,f=-0.16) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 MET CE :methyl 180:sc= -1.79 (180deg=-1.79) USER MOD Single : A 142 LYS NZ :NH3+ -164:sc= 1.5 (180deg=1.08) USER MOD Single : A 151 ASN : amide:sc= 0.299 K(o=0.3,f=-2.9!) USER MOD Single : A 155 SER OG : rot -146:sc= 0.624 USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 THR OG1 : rot -170:sc= 0 USER MOD Single : A 165 ASN : amide:sc= 0.76 K(o=0.76,f=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0.248 USER MOD Single : A 177 HIS : no HD1:sc= -0.982 K(o=-0.98,f=-2.7) USER MOD Single : A 179 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 185 LYS NZ :NH3+ 170:sc= 1.14 (180deg=1.07) USER MOD Single : A 189 ASN : amide:sc= -0.0543 X(o=-0.054,f=-0.054) USER MOD Single : A 190 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N PRO A 116 -4.417 17.594 -7.852 1.00 0.00 N ATOM 109 CA PRO A 116 -4.499 16.269 -7.222 1.00 0.00 C ATOM 110 C PRO A 116 -3.972 16.200 -5.779 1.00 0.00 C ATOM 111 O PRO A 116 -3.012 16.876 -5.401 1.00 0.00 O ATOM 112 CB PRO A 116 -3.729 15.318 -8.144 1.00 0.00 C ATOM 113 CG PRO A 116 -3.949 15.944 -9.517 1.00 0.00 C ATOM 114 CD PRO A 116 -3.896 17.439 -9.206 1.00 0.00 C ATOM 0 HA PRO A 116 -5.548 15.994 -7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -2.671 15.268 -7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -4.117 14.301 -8.094 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -3.176 15.649 -10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.907 15.652 -9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.875 17.815 -9.275 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.493 18.006 -9.920 1.00 0.00 H new ATOM 122 N LYS A 117 -4.605 15.334 -4.985 1.00 0.00 N ATOM 123 CA LYS A 117 -4.454 15.090 -3.550 1.00 0.00 C ATOM 124 C LYS A 117 -5.190 13.789 -3.226 1.00 0.00 C ATOM 125 O LYS A 117 -5.648 13.111 -4.147 1.00 0.00 O ATOM 126 CB LYS A 117 -4.900 16.303 -2.726 1.00 0.00 C ATOM 127 CG LYS A 117 -6.348 16.756 -2.987 1.00 0.00 C ATOM 128 CD LYS A 117 -6.709 18.038 -2.222 1.00 0.00 C ATOM 129 CE LYS A 117 -5.981 19.261 -2.796 1.00 0.00 C ATOM 130 NZ LYS A 117 -6.352 20.509 -2.073 1.00 0.00 N ATOM 0 H LYS A 117 -5.316 14.717 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.407 14.961 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.792 16.066 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.229 17.136 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -6.486 16.923 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -7.033 15.959 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -7.786 18.200 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -6.450 17.920 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.904 19.108 -2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.224 19.367 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.842 21.315 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.376 20.668 -2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.097 20.417 -1.069 1.00 0.00 H new ATOM 144 N ARG A 118 -5.150 13.325 -1.980 1.00 0.00 N ATOM 145 CA ARG A 118 -4.926 11.886 -1.782 1.00 0.00 C ATOM 146 C ARG A 118 -6.077 11.071 -1.195 1.00 0.00 C ATOM 147 O ARG A 118 -7.084 11.595 -0.718 1.00 0.00 O ATOM 148 CB ARG A 118 -3.513 11.696 -1.224 1.00 0.00 C ATOM 149 CG ARG A 118 -3.245 12.208 0.195 1.00 0.00 C ATOM 150 CD ARG A 118 -1.737 12.121 0.456 1.00 0.00 C ATOM 151 NE ARG A 118 -1.421 12.502 1.839 1.00 0.00 N ATOM 152 CZ ARG A 118 -0.313 13.030 2.317 1.00 0.00 C ATOM 153 NH1 ARG A 118 0.700 13.354 1.559 1.00 0.00 N ATOM 154 NH2 ARG A 118 -0.210 13.246 3.595 1.00 0.00 N ATOM 0 H ARG A 118 -5.262 13.882 -1.133 1.00 0.00 H new ATOM 0 HA ARG A 118 -4.953 11.381 -2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -3.281 10.631 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -2.814 12.190 -1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -3.591 13.236 0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -3.793 11.611 0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -1.389 11.106 0.266 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.206 12.775 -0.236 1.00 0.00 H new ATOM 0 HE ARG A 118 -2.160 12.335 2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 118 0.653 13.200 0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 118 1.538 13.761 1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -0.983 13.007 4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 118 0.643 13.654 3.976 1.00 0.00 H new ATOM 168 N LEU A 119 -5.939 9.765 -1.401 1.00 0.00 N ATOM 169 CA LEU A 119 -6.986 8.801 -1.729 1.00 0.00 C ATOM 170 C LEU A 119 -6.624 7.486 -1.025 1.00 0.00 C ATOM 171 O LEU A 119 -5.582 6.903 -1.325 1.00 0.00 O ATOM 172 CB LEU A 119 -7.013 8.697 -3.280 1.00 0.00 C ATOM 173 CG LEU A 119 -8.001 7.709 -3.912 1.00 0.00 C ATOM 174 CD1 LEU A 119 -9.452 8.131 -3.672 1.00 0.00 C ATOM 175 CD2 LEU A 119 -7.863 7.682 -5.429 1.00 0.00 C ATOM 0 H LEU A 119 -5.024 9.319 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.984 9.082 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.229 9.688 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.011 8.430 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.773 6.745 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.123 7.407 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.646 8.173 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.622 9.114 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.577 6.972 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.062 8.676 -5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.851 7.379 -5.697 1.00 0.00 H new ATOM 187 N HIS A 120 -7.427 7.069 -0.045 1.00 0.00 N ATOM 188 CA HIS A 120 -7.265 5.825 0.722 1.00 0.00 C ATOM 189 C HIS A 120 -7.810 4.650 -0.114 1.00 0.00 C ATOM 190 O HIS A 120 -8.803 4.784 -0.830 1.00 0.00 O ATOM 191 CB HIS A 120 -8.028 5.998 2.056 1.00 0.00 C ATOM 192 CG HIS A 120 -8.254 4.740 2.854 1.00 0.00 C ATOM 193 ND1 HIS A 120 -9.432 3.997 2.873 1.00 0.00 N ATOM 194 CD2 HIS A 120 -7.397 4.235 3.782 1.00 0.00 C ATOM 195 CE1 HIS A 120 -9.260 3.057 3.817 1.00 0.00 C ATOM 196 NE2 HIS A 120 -8.036 3.163 4.365 1.00 0.00 N ATOM 0 H HIS A 120 -8.241 7.607 0.251 1.00 0.00 H new ATOM 0 HA HIS A 120 -6.219 5.611 0.942 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.478 6.705 2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.997 6.448 1.842 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.409 4.603 4.016 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -9.999 2.321 4.096 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -7.648 2.555 5.087 1.00 0.00 H new ATOM 204 N VAL A 121 -7.127 3.506 -0.086 1.00 0.00 N ATOM 205 CA VAL A 121 -7.275 2.412 -1.064 1.00 0.00 C ATOM 206 C VAL A 121 -7.181 1.079 -0.327 1.00 0.00 C ATOM 207 O VAL A 121 -6.083 0.581 -0.091 1.00 0.00 O ATOM 208 CB VAL A 121 -6.204 2.587 -2.165 1.00 0.00 C ATOM 209 CG1 VAL A 121 -6.122 1.465 -3.192 1.00 0.00 C ATOM 210 CG2 VAL A 121 -6.467 3.861 -2.975 1.00 0.00 C ATOM 0 H VAL A 121 -6.435 3.302 0.635 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.247 2.433 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.272 2.608 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.339 1.691 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.891 0.527 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.078 1.374 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.703 3.967 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.449 3.798 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -6.437 4.726 -2.313 1.00 0.00 H new ATOM 220 N SER A 122 -8.327 0.549 0.116 1.00 0.00 N ATOM 221 CA SER A 122 -8.432 -0.507 1.137 1.00 0.00 C ATOM 222 C SER A 122 -8.751 -1.904 0.611 1.00 0.00 C ATOM 223 O SER A 122 -9.169 -2.076 -0.532 1.00 0.00 O ATOM 224 CB SER A 122 -9.517 -0.143 2.159 1.00 0.00 C ATOM 225 OG SER A 122 -9.068 -0.494 3.455 1.00 0.00 O ATOM 0 H SER A 122 -9.236 0.850 -0.235 1.00 0.00 H new ATOM 0 HA SER A 122 -7.435 -0.553 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.735 0.924 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 122 -10.444 -0.668 1.927 1.00 0.00 H new ATOM 0 HG SER A 122 -9.756 -0.262 4.113 1.00 0.00 H new ATOM 231 N ASN A 123 -8.629 -2.900 1.498 1.00 0.00 N ATOM 232 CA ASN A 123 -8.982 -4.314 1.303 1.00 0.00 C ATOM 233 C ASN A 123 -8.212 -4.989 0.149 1.00 0.00 C ATOM 234 O ASN A 123 -8.608 -6.036 -0.355 1.00 0.00 O ATOM 235 CB ASN A 123 -10.514 -4.432 1.211 1.00 0.00 C ATOM 236 CG ASN A 123 -11.008 -5.866 1.351 1.00 0.00 C ATOM 237 OD1 ASN A 123 -10.797 -6.526 2.359 1.00 0.00 O ATOM 238 ND2 ASN A 123 -11.698 -6.386 0.363 1.00 0.00 N ATOM 0 H ASN A 123 -8.257 -2.729 2.432 1.00 0.00 H new ATOM 0 HA ASN A 123 -8.653 -4.888 2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -10.968 -3.819 1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -10.847 -4.030 0.254 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -12.057 -7.338 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -11.876 -5.838 -0.479 1.00 0.00 H new ATOM 245 N ILE A 124 -7.098 -4.390 -0.270 1.00 0.00 N ATOM 246 CA ILE A 124 -6.294 -4.807 -1.423 1.00 0.00 C ATOM 247 C ILE A 124 -5.588 -6.147 -1.137 1.00 0.00 C ATOM 248 O ILE A 124 -5.321 -6.442 0.033 1.00 0.00 O ATOM 249 CB ILE A 124 -5.276 -3.698 -1.784 1.00 0.00 C ATOM 250 CG1 ILE A 124 -4.029 -3.708 -0.872 1.00 0.00 C ATOM 251 CG2 ILE A 124 -5.951 -2.315 -1.738 1.00 0.00 C ATOM 252 CD1 ILE A 124 -3.169 -2.452 -0.997 1.00 0.00 C ATOM 0 H ILE A 124 -6.715 -3.570 0.200 1.00 0.00 H new ATOM 0 HA ILE A 124 -6.951 -4.959 -2.279 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.933 -3.906 -2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -4.348 -3.818 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.421 -4.580 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -5.222 -1.546 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -6.774 -2.288 -2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -6.335 -2.131 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.312 -2.530 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -2.819 -2.351 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -3.761 -1.577 -0.728 1.00 0.00 H new ATOM 264 N PRO A 125 -5.231 -6.951 -2.152 1.00 0.00 N ATOM 265 CA PRO A 125 -4.342 -8.107 -1.984 1.00 0.00 C ATOM 266 C PRO A 125 -3.015 -7.692 -1.342 1.00 0.00 C ATOM 267 O PRO A 125 -2.311 -6.837 -1.874 1.00 0.00 O ATOM 268 CB PRO A 125 -4.106 -8.677 -3.388 1.00 0.00 C ATOM 269 CG PRO A 125 -5.316 -8.181 -4.159 1.00 0.00 C ATOM 270 CD PRO A 125 -5.600 -6.809 -3.550 1.00 0.00 C ATOM 0 HA PRO A 125 -4.790 -8.849 -1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -3.174 -8.314 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -4.050 -9.766 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.108 -8.109 -5.227 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -6.166 -8.853 -4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.016 -6.029 -4.038 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -6.650 -6.536 -3.658 1.00 0.00 H new ATOM 278 N PHE A 126 -2.640 -8.306 -0.217 1.00 0.00 N ATOM 279 CA PHE A 126 -1.416 -7.964 0.533 1.00 0.00 C ATOM 280 C PHE A 126 -0.103 -7.924 -0.271 1.00 0.00 C ATOM 281 O PHE A 126 0.849 -7.259 0.146 1.00 0.00 O ATOM 282 CB PHE A 126 -1.233 -8.972 1.665 1.00 0.00 C ATOM 283 CG PHE A 126 -2.263 -8.910 2.766 1.00 0.00 C ATOM 284 CD1 PHE A 126 -2.520 -7.689 3.415 1.00 0.00 C ATOM 285 CD2 PHE A 126 -2.877 -10.098 3.208 1.00 0.00 C ATOM 286 CE1 PHE A 126 -3.342 -7.675 4.552 1.00 0.00 C ATOM 287 CE2 PHE A 126 -3.652 -10.085 4.374 1.00 0.00 C ATOM 288 CZ PHE A 126 -3.855 -8.877 5.056 1.00 0.00 C ATOM 0 H PHE A 126 -3.178 -9.062 0.207 1.00 0.00 H new ATOM 0 HA PHE A 126 -1.585 -6.942 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -1.243 -9.975 1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.247 -8.822 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -2.089 -6.772 3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -2.751 -11.014 2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -3.579 -6.740 5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -4.090 -10.999 4.746 1.00 0.00 H new ATOM 0 HZ PHE A 126 -4.413 -8.873 5.981 1.00 0.00 H new ATOM 298 N ARG A 127 -0.048 -8.641 -1.399 1.00 0.00 N ATOM 299 CA ARG A 127 1.104 -8.744 -2.309 1.00 0.00 C ATOM 300 C ARG A 127 1.213 -7.556 -3.280 1.00 0.00 C ATOM 301 O ARG A 127 2.208 -7.457 -4.001 1.00 0.00 O ATOM 302 CB ARG A 127 1.063 -10.103 -3.046 1.00 0.00 C ATOM 303 CG ARG A 127 1.235 -11.324 -2.117 1.00 0.00 C ATOM 304 CD ARG A 127 -0.063 -11.802 -1.442 1.00 0.00 C ATOM 305 NE ARG A 127 0.183 -12.931 -0.525 1.00 0.00 N ATOM 306 CZ ARG A 127 -0.512 -14.044 -0.383 1.00 0.00 C ATOM 307 NH1 ARG A 127 -1.540 -14.338 -1.125 1.00 0.00 N ATOM 308 NH2 ARG A 127 -0.173 -14.893 0.541 1.00 0.00 N ATOM 0 H ARG A 127 -0.843 -9.193 -1.720 1.00 0.00 H new ATOM 0 HA ARG A 127 2.012 -8.699 -1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 127 0.113 -10.191 -3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 127 1.849 -10.120 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 127 1.653 -12.148 -2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 127 1.962 -11.076 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -0.512 -10.976 -0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -0.781 -12.103 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 127 0.999 -12.839 0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -1.842 -13.694 -1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -2.044 -15.212 -0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 127 0.623 -14.696 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -0.703 -15.756 0.660 1.00 0.00 H new ATOM 322 N PHE A 128 0.241 -6.634 -3.287 1.00 0.00 N ATOM 323 CA PHE A 128 0.357 -5.322 -3.939 1.00 0.00 C ATOM 324 C PHE A 128 1.588 -4.535 -3.464 1.00 0.00 C ATOM 325 O PHE A 128 2.074 -4.705 -2.343 1.00 0.00 O ATOM 326 CB PHE A 128 -0.907 -4.478 -3.669 1.00 0.00 C ATOM 327 CG PHE A 128 -2.025 -4.573 -4.692 1.00 0.00 C ATOM 328 CD1 PHE A 128 -2.238 -5.733 -5.465 1.00 0.00 C ATOM 329 CD2 PHE A 128 -2.839 -3.444 -4.898 1.00 0.00 C ATOM 330 CE1 PHE A 128 -3.209 -5.732 -6.480 1.00 0.00 C ATOM 331 CE2 PHE A 128 -3.820 -3.448 -5.900 1.00 0.00 C ATOM 332 CZ PHE A 128 -3.984 -4.583 -6.712 1.00 0.00 C ATOM 0 H PHE A 128 -0.661 -6.780 -2.834 1.00 0.00 H new ATOM 0 HA PHE A 128 0.468 -5.513 -5.006 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -1.309 -4.769 -2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.607 -3.433 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.655 -6.622 -5.277 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.707 -2.568 -4.280 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -3.360 -6.615 -7.083 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -4.448 -2.581 -6.047 1.00 0.00 H new ATOM 0 HZ PHE A 128 -4.706 -4.572 -7.515 1.00 0.00 H new ATOM 342 N ARG A 129 2.035 -3.612 -4.317 1.00 0.00 N ATOM 343 CA ARG A 129 3.098 -2.629 -4.062 1.00 0.00 C ATOM 344 C ARG A 129 2.659 -1.221 -4.453 1.00 0.00 C ATOM 345 O ARG A 129 1.674 -1.016 -5.169 1.00 0.00 O ATOM 346 CB ARG A 129 4.397 -3.037 -4.770 1.00 0.00 C ATOM 347 CG ARG A 129 4.895 -4.404 -4.284 1.00 0.00 C ATOM 348 CD ARG A 129 6.415 -4.511 -4.365 1.00 0.00 C ATOM 349 NE ARG A 129 6.898 -4.663 -5.754 1.00 0.00 N ATOM 350 CZ ARG A 129 8.153 -4.654 -6.164 1.00 0.00 C ATOM 351 NH1 ARG A 129 9.153 -4.520 -5.336 1.00 0.00 N ATOM 352 NH2 ARG A 129 8.439 -4.783 -7.426 1.00 0.00 N ATOM 0 H ARG A 129 1.647 -3.522 -5.256 1.00 0.00 H new ATOM 0 HA ARG A 129 3.296 -2.615 -2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.231 -3.071 -5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.164 -2.284 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 129 4.573 -4.564 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 129 4.442 -5.192 -4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 129 6.863 -3.621 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 129 6.748 -5.363 -3.772 1.00 0.00 H new ATOM 0 HE ARG A 129 6.185 -4.788 -6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 129 8.977 -4.418 -4.336 1.00 0.00 H new ATOM 0 HH12 ARG A 129 10.110 -4.518 -5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 129 7.690 -4.892 -8.110 1.00 0.00 H new ATOM 0 HH22 ARG A 129 9.412 -4.775 -7.732 1.00 0.00 H new ATOM 366 N ASP A 130 3.474 -0.260 -4.043 1.00 0.00 N ATOM 367 CA ASP A 130 3.443 1.136 -4.467 1.00 0.00 C ATOM 368 C ASP A 130 3.239 1.287 -5.996 1.00 0.00 C ATOM 369 O ASP A 130 2.188 1.795 -6.408 1.00 0.00 O ATOM 370 CB ASP A 130 4.756 1.793 -3.988 1.00 0.00 C ATOM 371 CG ASP A 130 4.638 2.670 -2.733 1.00 0.00 C ATOM 372 OD1 ASP A 130 3.712 2.455 -1.921 1.00 0.00 O ATOM 373 OD2 ASP A 130 5.517 3.544 -2.539 1.00 0.00 O ATOM 0 H ASP A 130 4.217 -0.442 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 130 2.585 1.639 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 130 5.485 1.007 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 130 5.154 2.402 -4.799 1.00 0.00 H new ATOM 378 N PRO A 131 4.162 0.814 -6.863 1.00 0.00 N ATOM 379 CA PRO A 131 4.029 0.982 -8.305 1.00 0.00 C ATOM 380 C PRO A 131 2.950 0.072 -8.916 1.00 0.00 C ATOM 381 O PRO A 131 2.462 0.357 -10.009 1.00 0.00 O ATOM 382 CB PRO A 131 5.422 0.705 -8.877 1.00 0.00 C ATOM 383 CG PRO A 131 5.984 -0.341 -7.918 1.00 0.00 C ATOM 384 CD PRO A 131 5.352 0.024 -6.573 1.00 0.00 C ATOM 0 HA PRO A 131 3.690 1.988 -8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 131 5.371 0.330 -9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 131 6.036 1.605 -8.898 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.716 -1.352 -8.226 1.00 0.00 H new ATOM 0 HG3 PRO A 131 7.072 -0.300 -7.873 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.092 -0.874 -6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 131 6.052 0.591 -5.959 1.00 0.00 H new ATOM 392 N ASP A 132 2.510 -0.973 -8.205 1.00 0.00 N ATOM 393 CA ASP A 132 1.312 -1.735 -8.565 1.00 0.00 C ATOM 394 C ASP A 132 0.080 -0.820 -8.524 1.00 0.00 C ATOM 395 O ASP A 132 -0.627 -0.712 -9.528 1.00 0.00 O ATOM 396 CB ASP A 132 1.159 -2.970 -7.658 1.00 0.00 C ATOM 397 CG ASP A 132 0.432 -4.139 -8.350 1.00 0.00 C ATOM 398 OD1 ASP A 132 -0.565 -3.912 -9.075 1.00 0.00 O ATOM 399 OD2 ASP A 132 0.869 -5.298 -8.162 1.00 0.00 O ATOM 0 H ASP A 132 2.976 -1.313 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 132 1.411 -2.107 -9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.146 -3.302 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.610 -2.688 -6.760 1.00 0.00 H new ATOM 404 N LEU A 133 -0.142 -0.066 -7.432 1.00 0.00 N ATOM 405 CA LEU A 133 -1.253 0.879 -7.388 1.00 0.00 C ATOM 406 C LEU A 133 -1.064 2.036 -8.360 1.00 0.00 C ATOM 407 O LEU A 133 -2.032 2.419 -9.014 1.00 0.00 O ATOM 408 CB LEU A 133 -1.493 1.392 -5.961 1.00 0.00 C ATOM 409 CG LEU A 133 -2.253 0.390 -5.077 1.00 0.00 C ATOM 410 CD1 LEU A 133 -2.353 0.903 -3.644 1.00 0.00 C ATOM 411 CD2 LEU A 133 -3.668 0.158 -5.598 1.00 0.00 C ATOM 0 H LEU A 133 0.427 -0.097 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 133 -2.142 0.335 -7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.533 1.620 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -2.055 2.325 -6.007 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.695 -0.546 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -2.894 0.179 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -1.352 1.043 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -2.885 1.855 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -4.181 -0.555 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -4.214 1.102 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -3.622 -0.239 -6.612 1.00 0.00 H new ATOM 423 N ARG A 134 0.158 2.560 -8.514 1.00 0.00 N ATOM 424 CA ARG A 134 0.432 3.633 -9.483 1.00 0.00 C ATOM 425 C ARG A 134 0.059 3.240 -10.918 1.00 0.00 C ATOM 426 O ARG A 134 -0.489 4.062 -11.639 1.00 0.00 O ATOM 427 CB ARG A 134 1.817 4.248 -9.278 1.00 0.00 C ATOM 428 CG ARG A 134 2.802 3.860 -10.366 1.00 0.00 C ATOM 429 CD ARG A 134 4.147 4.516 -10.121 1.00 0.00 C ATOM 430 NE ARG A 134 4.113 5.987 -10.247 1.00 0.00 N ATOM 431 CZ ARG A 134 4.216 6.714 -11.350 1.00 0.00 C ATOM 432 NH1 ARG A 134 4.384 6.176 -12.524 1.00 0.00 N ATOM 433 NH2 ARG A 134 4.150 8.012 -11.293 1.00 0.00 N ATOM 0 H ARG A 134 0.974 2.260 -7.981 1.00 0.00 H new ATOM 0 HA ARG A 134 -0.245 4.462 -9.280 1.00 0.00 H new ATOM 0 HB2 ARG A 134 1.726 5.334 -9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 134 2.209 3.934 -8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.918 2.776 -10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.415 4.161 -11.340 1.00 0.00 H new ATOM 0 HD2 ARG A 134 4.495 4.252 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 134 4.873 4.115 -10.828 1.00 0.00 H new ATOM 0 HE ARG A 134 3.996 6.508 -9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 134 4.441 5.162 -12.617 1.00 0.00 H new ATOM 0 HH12 ARG A 134 4.459 6.769 -13.351 1.00 0.00 H new ATOM 0 HH21 ARG A 134 4.018 8.477 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 134 4.230 8.565 -12.147 1.00 0.00 H new ATOM 447 N GLN A 135 0.288 1.986 -11.312 1.00 0.00 N ATOM 448 CA GLN A 135 -0.087 1.419 -12.617 1.00 0.00 C ATOM 449 C GLN A 135 -1.592 1.069 -12.735 1.00 0.00 C ATOM 450 O GLN A 135 -2.213 1.254 -13.788 1.00 0.00 O ATOM 451 CB GLN A 135 0.798 0.180 -12.823 1.00 0.00 C ATOM 452 CG GLN A 135 0.621 -0.480 -14.197 1.00 0.00 C ATOM 453 CD GLN A 135 1.607 -1.632 -14.400 1.00 0.00 C ATOM 454 OE1 GLN A 135 2.660 -1.488 -15.009 1.00 0.00 O ATOM 455 NE2 GLN A 135 1.312 -2.818 -13.908 1.00 0.00 N ATOM 0 H GLN A 135 0.757 1.308 -10.711 1.00 0.00 H new ATOM 0 HA GLN A 135 0.075 2.164 -13.396 1.00 0.00 H new ATOM 0 HB2 GLN A 135 1.843 0.465 -12.698 1.00 0.00 H new ATOM 0 HB3 GLN A 135 0.572 -0.551 -12.046 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -0.399 -0.852 -14.294 1.00 0.00 H new ATOM 0 HG3 GLN A 135 0.764 0.265 -14.980 1.00 0.00 H new ATOM 0 HE21 GLN A 135 0.439 -2.956 -13.398 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.956 -3.598 -14.037 1.00 0.00 H new ATOM 464 N MET A 136 -2.199 0.596 -11.647 1.00 0.00 N ATOM 465 CA MET A 136 -3.579 0.121 -11.598 1.00 0.00 C ATOM 466 C MET A 136 -4.564 1.281 -11.573 1.00 0.00 C ATOM 467 O MET A 136 -5.455 1.335 -12.417 1.00 0.00 O ATOM 468 CB MET A 136 -3.658 -0.788 -10.381 1.00 0.00 C ATOM 469 CG MET A 136 -4.957 -1.588 -10.227 1.00 0.00 C ATOM 470 SD MET A 136 -6.420 -0.642 -9.714 1.00 0.00 S ATOM 471 CE MET A 136 -5.768 0.147 -8.218 1.00 0.00 C ATOM 0 H MET A 136 -1.726 0.531 -10.745 1.00 0.00 H new ATOM 0 HA MET A 136 -3.859 -0.438 -12.491 1.00 0.00 H new ATOM 0 HB2 MET A 136 -2.824 -1.489 -10.420 1.00 0.00 H new ATOM 0 HB3 MET A 136 -3.521 -0.179 -9.487 1.00 0.00 H new ATOM 0 HG2 MET A 136 -5.177 -2.072 -11.179 1.00 0.00 H new ATOM 0 HG3 MET A 136 -4.788 -2.381 -9.498 1.00 0.00 H new ATOM 0 HE1 MET A 136 -6.541 0.771 -7.770 1.00 0.00 H new ATOM 0 HE2 MET A 136 -5.462 -0.620 -7.506 1.00 0.00 H new ATOM 0 HE3 MET A 136 -4.908 0.765 -8.478 1.00 0.00 H new ATOM 481 N PHE A 137 -4.324 2.280 -10.718 1.00 0.00 N ATOM 482 CA PHE A 137 -4.851 3.632 -10.936 1.00 0.00 C ATOM 483 C PHE A 137 -4.308 4.238 -12.241 1.00 0.00 C ATOM 484 O PHE A 137 -4.985 5.039 -12.883 1.00 0.00 O ATOM 485 CB PHE A 137 -4.537 4.552 -9.746 1.00 0.00 C ATOM 486 CG PHE A 137 -5.487 4.378 -8.582 1.00 0.00 C ATOM 487 CD1 PHE A 137 -6.706 5.075 -8.562 1.00 0.00 C ATOM 488 CD2 PHE A 137 -5.176 3.486 -7.542 1.00 0.00 C ATOM 489 CE1 PHE A 137 -7.620 4.887 -7.515 1.00 0.00 C ATOM 490 CE2 PHE A 137 -6.102 3.285 -6.504 1.00 0.00 C ATOM 491 CZ PHE A 137 -7.321 3.985 -6.483 1.00 0.00 C ATOM 0 H PHE A 137 -3.768 2.179 -9.869 1.00 0.00 H new ATOM 0 HA PHE A 137 -5.934 3.548 -11.024 1.00 0.00 H new ATOM 0 HB2 PHE A 137 -3.519 4.359 -9.406 1.00 0.00 H new ATOM 0 HB3 PHE A 137 -4.570 5.589 -10.080 1.00 0.00 H new ATOM 0 HD1 PHE A 137 -6.942 5.763 -9.361 1.00 0.00 H new ATOM 0 HD2 PHE A 137 -4.233 2.959 -7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 137 -8.551 5.435 -7.503 1.00 0.00 H new ATOM 0 HE2 PHE A 137 -5.875 2.585 -5.714 1.00 0.00 H new ATOM 0 HZ PHE A 137 -8.023 3.829 -5.677 1.00 0.00 H new ATOM 501 N GLY A 138 -3.097 3.851 -12.659 1.00 0.00 N ATOM 502 CA GLY A 138 -2.433 4.307 -13.889 1.00 0.00 C ATOM 503 C GLY A 138 -3.197 4.041 -15.190 1.00 0.00 C ATOM 504 O GLY A 138 -2.997 4.780 -16.156 1.00 0.00 O ATOM 0 H GLY A 138 -2.530 3.187 -12.131 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -2.252 5.379 -13.807 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -1.458 3.823 -13.955 1.00 0.00 H new ATOM 508 N GLN A 139 -4.136 3.086 -15.208 1.00 0.00 N ATOM 509 CA GLN A 139 -5.168 3.015 -16.266 1.00 0.00 C ATOM 510 C GLN A 139 -5.887 4.358 -16.536 1.00 0.00 C ATOM 511 O GLN A 139 -6.213 4.665 -17.684 1.00 0.00 O ATOM 512 CB GLN A 139 -6.208 1.909 -16.000 1.00 0.00 C ATOM 513 CG GLN A 139 -7.299 2.230 -14.960 1.00 0.00 C ATOM 514 CD GLN A 139 -8.126 1.003 -14.592 1.00 0.00 C ATOM 515 OE1 GLN A 139 -9.256 0.812 -15.029 1.00 0.00 O ATOM 516 NE2 GLN A 139 -7.609 0.128 -13.761 1.00 0.00 N ATOM 0 H GLN A 139 -4.207 2.350 -14.505 1.00 0.00 H new ATOM 0 HA GLN A 139 -4.609 2.764 -17.168 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -6.697 1.665 -16.943 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -5.679 1.013 -15.675 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -6.833 2.635 -14.061 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -7.957 3.004 -15.354 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -6.670 0.271 -13.388 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -8.146 -0.695 -13.488 1.00 0.00 H new ATOM 525 N PHE A 140 -6.111 5.162 -15.486 1.00 0.00 N ATOM 526 CA PHE A 140 -6.704 6.501 -15.549 1.00 0.00 C ATOM 527 C PHE A 140 -5.667 7.644 -15.533 1.00 0.00 C ATOM 528 O PHE A 140 -5.995 8.775 -15.903 1.00 0.00 O ATOM 529 CB PHE A 140 -7.702 6.657 -14.389 1.00 0.00 C ATOM 530 CG PHE A 140 -9.015 5.943 -14.622 1.00 0.00 C ATOM 531 CD1 PHE A 140 -9.865 6.409 -15.645 1.00 0.00 C ATOM 532 CD2 PHE A 140 -9.423 4.865 -13.806 1.00 0.00 C ATOM 533 CE1 PHE A 140 -11.111 5.806 -15.862 1.00 0.00 C ATOM 534 CE2 PHE A 140 -10.666 4.258 -14.037 1.00 0.00 C ATOM 535 CZ PHE A 140 -11.513 4.731 -15.058 1.00 0.00 C ATOM 0 H PHE A 140 -5.874 4.884 -14.534 1.00 0.00 H new ATOM 0 HA PHE A 140 -7.213 6.586 -16.509 1.00 0.00 H new ATOM 0 HB2 PHE A 140 -7.247 6.275 -13.475 1.00 0.00 H new ATOM 0 HB3 PHE A 140 -7.898 7.717 -14.229 1.00 0.00 H new ATOM 0 HD1 PHE A 140 -9.554 7.236 -16.266 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -8.783 4.511 -13.011 1.00 0.00 H new ATOM 0 HE1 PHE A 140 -11.759 6.168 -16.646 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -10.976 3.422 -13.428 1.00 0.00 H new ATOM 0 HZ PHE A 140 -12.473 4.265 -15.221 1.00 0.00 H new ATOM 545 N GLY A 141 -4.423 7.345 -15.137 1.00 0.00 N ATOM 546 CA GLY A 141 -3.201 8.149 -15.296 1.00 0.00 C ATOM 547 C GLY A 141 -3.248 9.581 -14.768 1.00 0.00 C ATOM 548 O GLY A 141 -3.061 10.544 -15.517 1.00 0.00 O ATOM 0 H GLY A 141 -4.228 6.465 -14.659 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.384 7.629 -14.796 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.954 8.186 -16.357 1.00 0.00 H new ATOM 552 N LYS A 142 -3.434 9.696 -13.450 1.00 0.00 N ATOM 553 CA LYS A 142 -3.541 10.957 -12.687 1.00 0.00 C ATOM 554 C LYS A 142 -2.586 11.055 -11.488 1.00 0.00 C ATOM 555 O LYS A 142 -2.586 12.058 -10.775 1.00 0.00 O ATOM 556 CB LYS A 142 -4.987 11.109 -12.190 1.00 0.00 C ATOM 557 CG LYS A 142 -6.034 10.784 -13.258 1.00 0.00 C ATOM 558 CD LYS A 142 -7.419 11.325 -12.893 1.00 0.00 C ATOM 559 CE LYS A 142 -8.513 10.794 -13.827 1.00 0.00 C ATOM 560 NZ LYS A 142 -8.183 10.982 -15.265 1.00 0.00 N ATOM 0 H LYS A 142 -3.519 8.875 -12.850 1.00 0.00 H new ATOM 0 HA LYS A 142 -3.255 11.758 -13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.139 10.455 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -5.138 12.131 -11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -5.720 11.207 -14.212 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.091 9.704 -13.391 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.656 11.049 -11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -7.405 12.414 -12.935 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -8.669 9.733 -13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -9.452 11.301 -13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -9.044 10.864 -15.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.799 11.937 -15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -7.476 10.276 -15.554 1.00 0.00 H new ATOM 574 N ILE A 143 -1.826 9.989 -11.230 1.00 0.00 N ATOM 575 CA ILE A 143 -1.102 9.770 -9.971 1.00 0.00 C ATOM 576 C ILE A 143 0.126 10.684 -9.863 1.00 0.00 C ATOM 577 O ILE A 143 1.022 10.647 -10.710 1.00 0.00 O ATOM 578 CB ILE A 143 -0.688 8.292 -9.750 1.00 0.00 C ATOM 579 CG1 ILE A 143 -1.785 7.225 -9.890 1.00 0.00 C ATOM 580 CG2 ILE A 143 -0.211 8.186 -8.298 1.00 0.00 C ATOM 581 CD1 ILE A 143 -2.180 6.937 -11.336 1.00 0.00 C ATOM 0 H ILE A 143 -1.692 9.235 -11.904 1.00 0.00 H new ATOM 0 HA ILE A 143 -1.807 10.026 -9.180 1.00 0.00 H new ATOM 0 HB ILE A 143 0.044 8.085 -10.531 1.00 0.00 H new ATOM 0 HG12 ILE A 143 -1.442 6.301 -9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 143 -2.668 7.550 -9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 143 0.094 7.160 -8.089 1.00 0.00 H new ATOM 0 HG22 ILE A 143 0.636 8.855 -8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 143 -1.023 8.467 -7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -2.958 6.174 -11.356 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -2.554 7.850 -11.800 1.00 0.00 H new ATOM 0 HD13 ILE A 143 -1.309 6.581 -11.887 1.00 0.00 H new ATOM 593 N LEU A 144 0.190 11.472 -8.788 1.00 0.00 N ATOM 594 CA LEU A 144 1.370 12.236 -8.368 1.00 0.00 C ATOM 595 C LEU A 144 2.304 11.373 -7.503 1.00 0.00 C ATOM 596 O LEU A 144 3.510 11.332 -7.746 1.00 0.00 O ATOM 597 CB LEU A 144 0.915 13.496 -7.602 1.00 0.00 C ATOM 598 CG LEU A 144 0.605 14.745 -8.450 1.00 0.00 C ATOM 599 CD1 LEU A 144 1.875 15.374 -9.032 1.00 0.00 C ATOM 600 CD2 LEU A 144 -0.373 14.480 -9.595 1.00 0.00 C ATOM 0 H LEU A 144 -0.606 11.601 -8.163 1.00 0.00 H new ATOM 0 HA LEU A 144 1.932 12.539 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 144 0.023 13.243 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 144 1.692 13.757 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 144 0.134 15.437 -7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 144 1.609 16.251 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 144 2.539 15.671 -8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 144 2.382 14.648 -9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.544 15.403 -10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 144 0.045 13.728 -10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.318 14.119 -9.190 1.00 0.00 H new ATOM 612 N ASP A 145 1.750 10.674 -6.504 1.00 0.00 N ATOM 613 CA ASP A 145 2.470 9.836 -5.538 1.00 0.00 C ATOM 614 C ASP A 145 1.634 8.636 -5.042 1.00 0.00 C ATOM 615 O ASP A 145 0.406 8.648 -5.144 1.00 0.00 O ATOM 616 CB ASP A 145 2.893 10.699 -4.332 1.00 0.00 C ATOM 617 CG ASP A 145 4.155 11.532 -4.606 1.00 0.00 C ATOM 618 OD1 ASP A 145 5.257 10.939 -4.700 1.00 0.00 O ATOM 619 OD2 ASP A 145 4.061 12.782 -4.678 1.00 0.00 O ATOM 0 H ASP A 145 0.743 10.678 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 145 3.342 9.429 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 145 2.074 11.367 -4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.070 10.052 -3.473 1.00 0.00 H new ATOM 624 N VAL A 146 2.291 7.623 -4.461 1.00 0.00 N ATOM 625 CA VAL A 146 1.694 6.425 -3.824 1.00 0.00 C ATOM 626 C VAL A 146 2.411 6.040 -2.529 1.00 0.00 C ATOM 627 O VAL A 146 3.528 6.485 -2.260 1.00 0.00 O ATOM 628 CB VAL A 146 1.688 5.198 -4.755 1.00 0.00 C ATOM 629 CG1 VAL A 146 0.714 5.360 -5.891 1.00 0.00 C ATOM 630 CG2 VAL A 146 3.078 4.925 -5.345 1.00 0.00 C ATOM 0 H VAL A 146 3.310 7.610 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 146 0.666 6.710 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 146 1.383 4.355 -4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 146 0.742 4.473 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -0.292 5.490 -5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 146 0.986 6.235 -6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 146 3.032 4.052 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 146 3.405 5.790 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 146 3.786 4.738 -4.537 1.00 0.00 H new ATOM 640 N GLU A 147 1.734 5.237 -1.703 1.00 0.00 N ATOM 641 CA GLU A 147 2.018 5.117 -0.274 1.00 0.00 C ATOM 642 C GLU A 147 1.293 3.896 0.355 1.00 0.00 C ATOM 643 O GLU A 147 0.286 4.040 1.050 1.00 0.00 O ATOM 644 CB GLU A 147 1.560 6.462 0.330 1.00 0.00 C ATOM 645 CG GLU A 147 1.823 6.685 1.822 1.00 0.00 C ATOM 646 CD GLU A 147 3.316 6.961 2.096 1.00 0.00 C ATOM 647 OE1 GLU A 147 4.140 6.015 2.088 1.00 0.00 O ATOM 648 OE2 GLU A 147 3.683 8.144 2.319 1.00 0.00 O ATOM 0 H GLU A 147 0.964 4.645 -2.014 1.00 0.00 H new ATOM 0 HA GLU A 147 3.074 4.933 -0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 147 2.049 7.264 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 147 0.488 6.563 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 147 1.225 7.525 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 147 1.505 5.807 2.384 1.00 0.00 H new ATOM 655 N ILE A 148 1.756 2.668 0.099 1.00 0.00 N ATOM 656 CA ILE A 148 1.289 1.442 0.790 1.00 0.00 C ATOM 657 C ILE A 148 1.634 1.485 2.283 1.00 0.00 C ATOM 658 O ILE A 148 2.678 2.017 2.670 1.00 0.00 O ATOM 659 CB ILE A 148 1.888 0.196 0.106 1.00 0.00 C ATOM 660 CG1 ILE A 148 1.134 -0.059 -1.213 1.00 0.00 C ATOM 661 CG2 ILE A 148 1.894 -1.072 0.988 1.00 0.00 C ATOM 662 CD1 ILE A 148 -0.164 -0.855 -1.068 1.00 0.00 C ATOM 0 H ILE A 148 2.475 2.486 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 148 0.203 1.387 0.715 1.00 0.00 H new ATOM 0 HB ILE A 148 2.939 0.411 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 148 0.905 0.901 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.796 -0.592 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 148 2.331 -1.901 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 148 2.483 -0.888 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 148 0.872 -1.324 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -0.623 -0.984 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.055 -1.833 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.850 -0.316 -0.414 1.00 0.00 H new ATOM 674 N ILE A 149 0.795 0.883 3.137 1.00 0.00 N ATOM 675 CA ILE A 149 0.971 0.903 4.580 1.00 0.00 C ATOM 676 C ILE A 149 1.686 -0.420 4.880 1.00 0.00 C ATOM 677 O ILE A 149 1.066 -1.420 5.227 1.00 0.00 O ATOM 678 CB ILE A 149 -0.429 1.147 5.185 1.00 0.00 C ATOM 679 CG1 ILE A 149 -1.075 2.413 4.564 1.00 0.00 C ATOM 680 CG2 ILE A 149 -0.386 1.325 6.703 1.00 0.00 C ATOM 681 CD1 ILE A 149 -0.186 3.652 4.447 1.00 0.00 C ATOM 0 H ILE A 149 -0.030 0.366 2.834 1.00 0.00 H new ATOM 0 HA ILE A 149 1.584 1.688 5.023 1.00 0.00 H new ATOM 0 HB ILE A 149 -1.021 0.261 4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -1.435 2.157 3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -1.949 2.676 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -1.395 1.494 7.078 1.00 0.00 H new ATOM 0 HG22 ILE A 149 0.027 0.427 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.241 2.181 6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -0.754 4.467 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 149 0.155 3.950 5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 149 0.676 3.423 3.821 1.00 0.00 H new ATOM 693 N PHE A 150 2.987 -0.495 4.580 1.00 0.00 N ATOM 694 CA PHE A 150 3.719 -1.769 4.529 1.00 0.00 C ATOM 695 C PHE A 150 4.036 -2.337 5.928 1.00 0.00 C ATOM 696 O PHE A 150 4.239 -1.578 6.880 1.00 0.00 O ATOM 697 CB PHE A 150 5.035 -1.599 3.735 1.00 0.00 C ATOM 698 CG PHE A 150 4.983 -2.179 2.337 1.00 0.00 C ATOM 699 CD1 PHE A 150 4.673 -3.542 2.163 1.00 0.00 C ATOM 700 CD2 PHE A 150 5.220 -1.367 1.211 1.00 0.00 C ATOM 701 CE1 PHE A 150 4.536 -4.075 0.874 1.00 0.00 C ATOM 702 CE2 PHE A 150 5.106 -1.907 -0.083 1.00 0.00 C ATOM 703 CZ PHE A 150 4.748 -3.256 -0.246 1.00 0.00 C ATOM 0 H PHE A 150 3.562 0.320 4.366 1.00 0.00 H new ATOM 0 HA PHE A 150 3.064 -2.482 4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 150 5.275 -0.538 3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 150 5.846 -2.076 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 150 4.540 -4.178 3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 150 5.489 -0.329 1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 150 4.268 -5.113 0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 150 5.293 -1.287 -0.948 1.00 0.00 H new ATOM 0 HZ PHE A 150 4.635 -3.665 -1.239 1.00 0.00 H new ATOM 713 N ASN A 151 4.177 -3.661 6.045 1.00 0.00 N ATOM 714 CA ASN A 151 4.734 -4.368 7.201 1.00 0.00 C ATOM 715 C ASN A 151 5.649 -5.511 6.700 1.00 0.00 C ATOM 716 O ASN A 151 5.663 -5.820 5.507 1.00 0.00 O ATOM 717 CB ASN A 151 3.549 -4.848 8.067 1.00 0.00 C ATOM 718 CG ASN A 151 3.937 -5.439 9.415 1.00 0.00 C ATOM 719 OD1 ASN A 151 5.036 -5.250 9.920 1.00 0.00 O ATOM 720 ND2 ASN A 151 3.060 -6.183 10.044 1.00 0.00 N ATOM 0 H ASN A 151 3.892 -4.298 5.301 1.00 0.00 H new ATOM 0 HA ASN A 151 5.361 -3.729 7.823 1.00 0.00 H new ATOM 0 HB2 ASN A 151 2.877 -4.006 8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 151 2.988 -5.596 7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 151 3.296 -6.598 10.945 1.00 0.00 H new ATOM 0 HD22 ASN A 151 2.141 -6.347 9.632 1.00 0.00 H new ATOM 727 N GLU A 152 6.397 -6.175 7.583 1.00 0.00 N ATOM 728 CA GLU A 152 7.308 -7.277 7.214 1.00 0.00 C ATOM 729 C GLU A 152 6.601 -8.491 6.573 1.00 0.00 C ATOM 730 O GLU A 152 7.240 -9.304 5.896 1.00 0.00 O ATOM 731 CB GLU A 152 8.155 -7.704 8.427 1.00 0.00 C ATOM 732 CG GLU A 152 7.368 -8.375 9.560 1.00 0.00 C ATOM 733 CD GLU A 152 8.311 -8.772 10.711 1.00 0.00 C ATOM 734 OE1 GLU A 152 8.535 -7.948 11.634 1.00 0.00 O ATOM 735 OE2 GLU A 152 8.832 -9.915 10.709 1.00 0.00 O ATOM 0 H GLU A 152 6.393 -5.967 8.582 1.00 0.00 H new ATOM 0 HA GLU A 152 7.963 -6.881 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 152 8.930 -8.390 8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 152 8.660 -6.825 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 152 6.600 -7.695 9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 152 6.856 -9.259 9.181 1.00 0.00 H new ATOM 742 N ARG A 153 5.276 -8.606 6.751 1.00 0.00 N ATOM 743 CA ARG A 153 4.422 -9.664 6.184 1.00 0.00 C ATOM 744 C ARG A 153 3.774 -9.312 4.832 1.00 0.00 C ATOM 745 O ARG A 153 3.164 -10.192 4.222 1.00 0.00 O ATOM 746 CB ARG A 153 3.350 -10.091 7.209 1.00 0.00 C ATOM 747 CG ARG A 153 3.852 -10.411 8.629 1.00 0.00 C ATOM 748 CD ARG A 153 4.839 -11.586 8.645 1.00 0.00 C ATOM 749 NE ARG A 153 5.246 -11.928 10.023 1.00 0.00 N ATOM 750 CZ ARG A 153 6.009 -12.937 10.402 1.00 0.00 C ATOM 751 NH1 ARG A 153 6.513 -13.783 9.543 1.00 0.00 N ATOM 752 NH2 ARG A 153 6.278 -13.124 11.661 1.00 0.00 N ATOM 0 H ARG A 153 4.749 -7.940 7.315 1.00 0.00 H new ATOM 0 HA ARG A 153 5.089 -10.499 5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 153 2.608 -9.295 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 153 2.837 -10.971 6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 153 4.334 -9.528 9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 153 3.001 -10.645 9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 153 4.380 -12.455 8.173 1.00 0.00 H new ATOM 0 HD3 ARG A 153 5.720 -11.331 8.056 1.00 0.00 H new ATOM 0 HE ARG A 153 4.900 -11.318 10.763 1.00 0.00 H new ATOM 0 HH11 ARG A 153 6.321 -13.674 8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 153 7.099 -14.552 9.868 1.00 0.00 H new ATOM 0 HH21 ARG A 153 5.899 -12.489 12.363 1.00 0.00 H new ATOM 0 HH22 ARG A 153 6.868 -13.906 11.946 1.00 0.00 H new ATOM 766 N GLY A 154 3.882 -8.064 4.353 1.00 0.00 N ATOM 767 CA GLY A 154 3.175 -7.552 3.170 1.00 0.00 C ATOM 768 C GLY A 154 2.487 -6.228 3.496 1.00 0.00 C ATOM 769 O GLY A 154 2.800 -5.603 4.512 1.00 0.00 O ATOM 0 H GLY A 154 4.481 -7.363 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 154 3.879 -7.412 2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 154 2.437 -8.281 2.835 1.00 0.00 H new ATOM 773 N SER A 155 1.541 -5.776 2.670 1.00 0.00 N ATOM 774 CA SER A 155 0.689 -4.642 3.059 1.00 0.00 C ATOM 775 C SER A 155 -0.046 -4.909 4.387 1.00 0.00 C ATOM 776 O SER A 155 -0.353 -6.058 4.716 1.00 0.00 O ATOM 777 CB SER A 155 -0.293 -4.293 1.936 1.00 0.00 C ATOM 778 OG SER A 155 -1.080 -3.180 2.321 1.00 0.00 O ATOM 0 H SER A 155 1.345 -6.165 1.747 1.00 0.00 H new ATOM 0 HA SER A 155 1.337 -3.781 3.222 1.00 0.00 H new ATOM 0 HB2 SER A 155 0.252 -4.066 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 155 -0.934 -5.148 1.722 1.00 0.00 H new ATOM 0 HG SER A 155 -1.980 -3.270 1.945 1.00 0.00 H new ATOM 784 N LYS A 156 -0.387 -3.853 5.138 1.00 0.00 N ATOM 785 CA LYS A 156 -1.395 -3.865 6.217 1.00 0.00 C ATOM 786 C LYS A 156 -2.835 -4.036 5.710 1.00 0.00 C ATOM 787 O LYS A 156 -3.755 -4.237 6.500 1.00 0.00 O ATOM 788 CB LYS A 156 -1.223 -2.602 7.083 1.00 0.00 C ATOM 789 CG LYS A 156 -0.149 -2.925 8.142 1.00 0.00 C ATOM 790 CD LYS A 156 0.374 -1.735 8.954 1.00 0.00 C ATOM 791 CE LYS A 156 1.618 -1.144 8.281 1.00 0.00 C ATOM 792 NZ LYS A 156 2.270 -0.097 9.105 1.00 0.00 N ATOM 0 H LYS A 156 0.042 -2.936 5.011 1.00 0.00 H new ATOM 0 HA LYS A 156 -1.219 -4.748 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 156 -0.918 -1.753 6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 156 -2.165 -2.330 7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 156 -0.560 -3.660 8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 156 0.696 -3.397 7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 156 -0.401 -0.973 9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 156 0.617 -2.055 9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 156 2.333 -1.942 8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 156 1.338 -0.720 7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 3.105 0.269 8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 1.599 0.680 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 2.564 -0.505 10.016 1.00 0.00 H new ATOM 806 N GLY A 157 -3.005 -4.005 4.389 1.00 0.00 N ATOM 807 CA GLY A 157 -4.248 -4.259 3.664 1.00 0.00 C ATOM 808 C GLY A 157 -4.787 -3.048 2.901 1.00 0.00 C ATOM 809 O GLY A 157 -5.808 -3.151 2.222 1.00 0.00 O ATOM 0 H GLY A 157 -2.232 -3.789 3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 157 -4.085 -5.075 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 157 -5.006 -4.596 4.371 1.00 0.00 H new ATOM 813 N PHE A 158 -4.110 -1.904 3.005 1.00 0.00 N ATOM 814 CA PHE A 158 -4.418 -0.680 2.287 1.00 0.00 C ATOM 815 C PHE A 158 -3.146 0.079 1.885 1.00 0.00 C ATOM 816 O PHE A 158 -2.042 -0.117 2.414 1.00 0.00 O ATOM 817 CB PHE A 158 -5.407 0.196 3.090 1.00 0.00 C ATOM 818 CG PHE A 158 -4.870 1.048 4.222 1.00 0.00 C ATOM 819 CD1 PHE A 158 -4.635 0.453 5.471 1.00 0.00 C ATOM 820 CD2 PHE A 158 -4.731 2.446 4.070 1.00 0.00 C ATOM 821 CE1 PHE A 158 -4.240 1.244 6.560 1.00 0.00 C ATOM 822 CE2 PHE A 158 -4.359 3.251 5.169 1.00 0.00 C ATOM 823 CZ PHE A 158 -4.090 2.633 6.402 1.00 0.00 C ATOM 0 H PHE A 158 -3.301 -1.807 3.618 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.915 -0.950 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.908 0.860 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -6.170 -0.462 3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -4.758 -0.613 5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -4.910 2.902 3.107 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -4.051 0.786 7.520 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -4.283 4.323 5.064 1.00 0.00 H new ATOM 0 HZ PHE A 158 -3.764 3.233 7.239 1.00 0.00 H new ATOM 833 N GLY A 159 -3.340 0.985 0.935 1.00 0.00 N ATOM 834 CA GLY A 159 -2.400 2.039 0.596 1.00 0.00 C ATOM 835 C GLY A 159 -3.124 3.375 0.458 1.00 0.00 C ATOM 836 O GLY A 159 -4.344 3.486 0.594 1.00 0.00 O ATOM 0 H GLY A 159 -4.184 1.005 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -1.633 2.112 1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -1.892 1.795 -0.337 1.00 0.00 H new ATOM 840 N PHE A 160 -2.335 4.395 0.185 1.00 0.00 N ATOM 841 CA PHE A 160 -2.707 5.745 -0.179 1.00 0.00 C ATOM 842 C PHE A 160 -2.125 6.062 -1.567 1.00 0.00 C ATOM 843 O PHE A 160 -1.063 5.561 -1.942 1.00 0.00 O ATOM 844 CB PHE A 160 -2.201 6.694 0.924 1.00 0.00 C ATOM 845 CG PHE A 160 -3.292 7.237 1.820 1.00 0.00 C ATOM 846 CD1 PHE A 160 -3.907 8.444 1.452 1.00 0.00 C ATOM 847 CD2 PHE A 160 -3.681 6.595 3.018 1.00 0.00 C ATOM 848 CE1 PHE A 160 -4.887 9.011 2.271 1.00 0.00 C ATOM 849 CE2 PHE A 160 -4.674 7.151 3.829 1.00 0.00 C ATOM 850 CZ PHE A 160 -5.282 8.362 3.451 1.00 0.00 C ATOM 0 H PHE A 160 -1.321 4.287 0.216 1.00 0.00 H new ATOM 0 HA PHE A 160 -3.787 5.869 -0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -1.472 6.165 1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -1.679 7.530 0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -3.622 8.936 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -3.208 5.669 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -5.342 9.951 1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -4.973 6.654 4.740 1.00 0.00 H new ATOM 0 HZ PHE A 160 -6.055 8.793 4.070 1.00 0.00 H new ATOM 860 N VAL A 161 -2.808 6.898 -2.342 1.00 0.00 N ATOM 861 CA VAL A 161 -2.370 7.389 -3.661 1.00 0.00 C ATOM 862 C VAL A 161 -2.874 8.821 -3.873 1.00 0.00 C ATOM 863 O VAL A 161 -3.833 9.238 -3.234 1.00 0.00 O ATOM 864 CB VAL A 161 -2.772 6.382 -4.765 1.00 0.00 C ATOM 865 CG1 VAL A 161 -4.232 6.056 -4.858 1.00 0.00 C ATOM 866 CG2 VAL A 161 -2.463 6.816 -6.196 1.00 0.00 C ATOM 0 H VAL A 161 -3.716 7.271 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 161 -1.283 7.450 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 161 -2.170 5.538 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -4.395 5.342 -5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -4.569 5.622 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -4.796 6.967 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -2.785 6.039 -6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -2.993 7.742 -6.418 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -1.390 6.977 -6.304 1.00 0.00 H new ATOM 876 N THR A 162 -2.210 9.611 -4.712 1.00 0.00 N ATOM 877 CA THR A 162 -2.396 11.081 -4.782 1.00 0.00 C ATOM 878 C THR A 162 -2.936 11.475 -6.149 1.00 0.00 C ATOM 879 O THR A 162 -2.205 11.427 -7.140 1.00 0.00 O ATOM 880 CB THR A 162 -1.092 11.817 -4.462 1.00 0.00 C ATOM 881 OG1 THR A 162 -0.590 11.394 -3.213 1.00 0.00 O ATOM 882 CG2 THR A 162 -1.255 13.338 -4.363 1.00 0.00 C ATOM 0 H THR A 162 -1.519 9.258 -5.374 1.00 0.00 H new ATOM 0 HA THR A 162 -3.126 11.376 -4.028 1.00 0.00 H new ATOM 0 HB THR A 162 -0.421 11.581 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 162 0.151 11.977 -2.944 1.00 0.00 H new ATOM 0 HG21 THR A 162 -0.291 13.793 -4.134 1.00 0.00 H new ATOM 0 HG22 THR A 162 -1.624 13.727 -5.312 1.00 0.00 H new ATOM 0 HG23 THR A 162 -1.966 13.577 -3.572 1.00 0.00 H new ATOM 890 N PHE A 163 -4.242 11.748 -6.212 1.00 0.00 N ATOM 891 CA PHE A 163 -5.045 11.365 -7.375 1.00 0.00 C ATOM 892 C PHE A 163 -6.301 12.195 -7.663 1.00 0.00 C ATOM 893 O PHE A 163 -6.689 12.421 -8.809 1.00 0.00 O ATOM 894 CB PHE A 163 -5.467 9.923 -7.115 1.00 0.00 C ATOM 895 CG PHE A 163 -6.114 9.260 -8.310 1.00 0.00 C ATOM 896 CD1 PHE A 163 -5.289 8.676 -9.279 1.00 0.00 C ATOM 897 CD2 PHE A 163 -7.507 9.249 -8.491 1.00 0.00 C ATOM 898 CE1 PHE A 163 -5.838 8.037 -10.398 1.00 0.00 C ATOM 899 CE2 PHE A 163 -8.063 8.630 -9.624 1.00 0.00 C ATOM 900 CZ PHE A 163 -7.231 8.022 -10.582 1.00 0.00 C ATOM 0 H PHE A 163 -4.762 12.229 -5.478 1.00 0.00 H new ATOM 0 HA PHE A 163 -4.424 11.527 -8.256 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -4.592 9.345 -6.818 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -6.163 9.902 -6.276 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -4.216 8.719 -9.162 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -8.150 9.716 -7.760 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -5.192 7.557 -11.118 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -9.134 8.621 -9.760 1.00 0.00 H new ATOM 0 HZ PHE A 163 -7.660 7.547 -11.452 1.00 0.00 H new ATOM 910 N GLU A 164 -6.966 12.594 -6.596 1.00 0.00 N ATOM 911 CA GLU A 164 -8.296 13.149 -6.520 1.00 0.00 C ATOM 912 C GLU A 164 -8.203 14.644 -6.766 1.00 0.00 C ATOM 913 O GLU A 164 -7.726 15.388 -5.905 1.00 0.00 O ATOM 914 CB GLU A 164 -8.913 12.878 -5.137 1.00 0.00 C ATOM 915 CG GLU A 164 -10.390 13.306 -5.116 1.00 0.00 C ATOM 916 CD GLU A 164 -11.139 12.942 -3.823 1.00 0.00 C ATOM 917 OE1 GLU A 164 -10.700 12.064 -3.048 1.00 0.00 O ATOM 918 OE2 GLU A 164 -12.273 13.440 -3.639 1.00 0.00 O ATOM 0 H GLU A 164 -6.542 12.529 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 164 -8.934 12.684 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -8.831 11.818 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -8.359 13.422 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -10.445 14.385 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -10.902 12.844 -5.960 1.00 0.00 H new ATOM 925 N ASN A 165 -8.717 15.095 -7.906 1.00 0.00 N ATOM 926 CA ASN A 165 -9.477 16.342 -7.850 1.00 0.00 C ATOM 927 C ASN A 165 -10.638 16.466 -8.851 1.00 0.00 C ATOM 928 O ASN A 165 -11.701 16.979 -8.492 1.00 0.00 O ATOM 929 CB ASN A 165 -8.526 17.556 -7.910 1.00 0.00 C ATOM 930 CG ASN A 165 -8.776 18.509 -6.754 1.00 0.00 C ATOM 931 OD1 ASN A 165 -9.062 19.687 -6.935 1.00 0.00 O ATOM 932 ND2 ASN A 165 -8.678 18.027 -5.534 1.00 0.00 N ATOM 0 H ASN A 165 -8.633 14.654 -8.822 1.00 0.00 H new ATOM 0 HA ASN A 165 -9.983 16.323 -6.885 1.00 0.00 H new ATOM 0 HB2 ASN A 165 -7.492 17.212 -7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 165 -8.663 18.082 -8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 165 -8.840 18.635 -4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 165 -8.440 17.046 -5.391 1.00 0.00 H new ATOM 939 N SER A 166 -10.455 16.008 -10.095 1.00 0.00 N ATOM 940 CA SER A 166 -11.484 16.068 -11.145 1.00 0.00 C ATOM 941 C SER A 166 -12.686 15.151 -10.858 1.00 0.00 C ATOM 942 O SER A 166 -12.559 14.136 -10.168 1.00 0.00 O ATOM 943 CB SER A 166 -10.844 15.677 -12.486 1.00 0.00 C ATOM 944 OG SER A 166 -11.769 15.778 -13.557 1.00 0.00 O ATOM 0 H SER A 166 -9.582 15.581 -10.406 1.00 0.00 H new ATOM 0 HA SER A 166 -11.867 17.088 -11.176 1.00 0.00 H new ATOM 0 HB2 SER A 166 -9.988 16.322 -12.683 1.00 0.00 H new ATOM 0 HB3 SER A 166 -10.467 14.656 -12.426 1.00 0.00 H new ATOM 0 HG SER A 166 -11.329 15.524 -14.395 1.00 0.00 H new ATOM 950 N ALA A 167 -13.837 15.424 -11.481 1.00 0.00 N ATOM 951 CA ALA A 167 -14.923 14.450 -11.602 1.00 0.00 C ATOM 952 C ALA A 167 -14.476 13.165 -12.319 1.00 0.00 C ATOM 953 O ALA A 167 -14.972 12.085 -12.001 1.00 0.00 O ATOM 954 CB ALA A 167 -16.098 15.078 -12.359 1.00 0.00 C ATOM 0 H ALA A 167 -14.040 16.325 -11.914 1.00 0.00 H new ATOM 0 HA ALA A 167 -15.229 14.174 -10.593 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -16.905 14.350 -12.447 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -16.456 15.952 -11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -15.770 15.379 -13.354 1.00 0.00 H new ATOM 960 N ASP A 168 -13.507 13.245 -13.241 1.00 0.00 N ATOM 961 CA ASP A 168 -12.931 12.070 -13.900 1.00 0.00 C ATOM 962 C ASP A 168 -12.093 11.202 -12.934 1.00 0.00 C ATOM 963 O ASP A 168 -12.010 9.987 -13.105 1.00 0.00 O ATOM 964 CB ASP A 168 -12.110 12.516 -15.117 1.00 0.00 C ATOM 965 CG ASP A 168 -11.877 11.361 -16.105 1.00 0.00 C ATOM 966 OD1 ASP A 168 -12.864 10.856 -16.690 1.00 0.00 O ATOM 967 OD2 ASP A 168 -10.702 10.979 -16.317 1.00 0.00 O ATOM 0 H ASP A 168 -13.101 14.129 -13.550 1.00 0.00 H new ATOM 0 HA ASP A 168 -13.750 11.434 -14.237 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -12.627 13.330 -15.625 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -11.149 12.908 -14.783 1.00 0.00 H new ATOM 972 N ALA A 169 -11.523 11.800 -11.880 1.00 0.00 N ATOM 973 CA ALA A 169 -10.876 11.082 -10.779 1.00 0.00 C ATOM 974 C ALA A 169 -11.901 10.435 -9.823 1.00 0.00 C ATOM 975 O ALA A 169 -11.697 9.310 -9.367 1.00 0.00 O ATOM 976 CB ALA A 169 -9.938 12.040 -10.034 1.00 0.00 C ATOM 0 H ALA A 169 -11.499 12.814 -11.768 1.00 0.00 H new ATOM 0 HA ALA A 169 -10.293 10.261 -11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -9.454 11.510 -9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.180 12.415 -10.722 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -10.513 12.877 -9.637 1.00 0.00 H new ATOM 982 N ASP A 170 -13.031 11.100 -9.549 1.00 0.00 N ATOM 983 CA ASP A 170 -14.151 10.505 -8.800 1.00 0.00 C ATOM 984 C ASP A 170 -14.775 9.316 -9.554 1.00 0.00 C ATOM 985 O ASP A 170 -14.964 8.245 -8.982 1.00 0.00 O ATOM 986 CB ASP A 170 -15.214 11.569 -8.496 1.00 0.00 C ATOM 987 CG ASP A 170 -16.268 11.038 -7.512 1.00 0.00 C ATOM 988 OD1 ASP A 170 -15.895 10.772 -6.344 1.00 0.00 O ATOM 989 OD2 ASP A 170 -17.453 10.902 -7.897 1.00 0.00 O ATOM 0 H ASP A 170 -13.197 12.064 -9.839 1.00 0.00 H new ATOM 0 HA ASP A 170 -13.754 10.123 -7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 170 -14.736 12.455 -8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 170 -15.700 11.876 -9.422 1.00 0.00 H new ATOM 994 N ARG A 171 -15.019 9.472 -10.859 1.00 0.00 N ATOM 995 CA ARG A 171 -15.411 8.420 -11.818 1.00 0.00 C ATOM 996 C ARG A 171 -14.449 7.236 -11.788 1.00 0.00 C ATOM 997 O ARG A 171 -14.875 6.084 -11.704 1.00 0.00 O ATOM 998 CB ARG A 171 -15.496 9.071 -13.209 1.00 0.00 C ATOM 999 CG ARG A 171 -15.676 8.119 -14.406 1.00 0.00 C ATOM 1000 CD ARG A 171 -16.966 7.292 -14.339 1.00 0.00 C ATOM 1001 NE ARG A 171 -17.111 6.445 -15.539 1.00 0.00 N ATOM 1002 CZ ARG A 171 -18.129 5.663 -15.849 1.00 0.00 C ATOM 1003 NH1 ARG A 171 -19.165 5.533 -15.071 1.00 0.00 N ATOM 1004 NH2 ARG A 171 -18.122 4.985 -16.963 1.00 0.00 N ATOM 0 H ARG A 171 -14.946 10.386 -11.306 1.00 0.00 H new ATOM 0 HA ARG A 171 -16.382 8.005 -11.547 1.00 0.00 H new ATOM 0 HB2 ARG A 171 -16.328 9.775 -13.205 1.00 0.00 H new ATOM 0 HB3 ARG A 171 -14.588 9.652 -13.369 1.00 0.00 H new ATOM 0 HG2 ARG A 171 -15.674 8.702 -15.327 1.00 0.00 H new ATOM 0 HG3 ARG A 171 -14.822 7.443 -14.455 1.00 0.00 H new ATOM 0 HD2 ARG A 171 -16.956 6.666 -13.446 1.00 0.00 H new ATOM 0 HD3 ARG A 171 -17.825 7.957 -14.252 1.00 0.00 H new ATOM 0 HE ARG A 171 -16.338 6.466 -16.204 1.00 0.00 H new ATOM 0 HH11 ARG A 171 -19.208 6.045 -14.190 1.00 0.00 H new ATOM 0 HH12 ARG A 171 -19.933 4.920 -15.343 1.00 0.00 H new ATOM 0 HH21 ARG A 171 -17.328 5.057 -17.599 1.00 0.00 H new ATOM 0 HH22 ARG A 171 -18.911 4.382 -17.198 1.00 0.00 H new ATOM 1018 N ALA A 172 -13.153 7.519 -11.839 1.00 0.00 N ATOM 1019 CA ALA A 172 -12.107 6.509 -11.677 1.00 0.00 C ATOM 1020 C ALA A 172 -12.193 5.751 -10.335 1.00 0.00 C ATOM 1021 O ALA A 172 -12.279 4.524 -10.358 1.00 0.00 O ATOM 1022 CB ALA A 172 -10.744 7.142 -11.916 1.00 0.00 C ATOM 0 H ALA A 172 -12.793 8.461 -11.995 1.00 0.00 H new ATOM 0 HA ALA A 172 -12.264 5.738 -12.431 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -9.966 6.388 -11.795 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -10.703 7.546 -12.927 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -10.585 7.946 -11.197 1.00 0.00 H new ATOM 1028 N ARG A 173 -12.259 6.436 -9.181 1.00 0.00 N ATOM 1029 CA ARG A 173 -12.627 5.846 -7.871 1.00 0.00 C ATOM 1030 C ARG A 173 -13.831 4.920 -8.020 1.00 0.00 C ATOM 1031 O ARG A 173 -13.711 3.741 -7.724 1.00 0.00 O ATOM 1032 CB ARG A 173 -12.832 6.974 -6.825 1.00 0.00 C ATOM 1033 CG ARG A 173 -14.037 6.819 -5.867 1.00 0.00 C ATOM 1034 CD ARG A 173 -13.923 7.667 -4.597 1.00 0.00 C ATOM 1035 NE ARG A 173 -14.105 9.105 -4.856 1.00 0.00 N ATOM 1036 CZ ARG A 173 -13.436 10.115 -4.336 1.00 0.00 C ATOM 1037 NH1 ARG A 173 -12.403 9.950 -3.560 1.00 0.00 N ATOM 1038 NH2 ARG A 173 -13.817 11.322 -4.607 1.00 0.00 N ATOM 0 H ARG A 173 -12.055 7.434 -9.125 1.00 0.00 H new ATOM 0 HA ARG A 173 -11.815 5.221 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -11.926 7.050 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -12.940 7.918 -7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -14.949 7.094 -6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -14.135 5.770 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -14.669 7.335 -3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -12.945 7.505 -4.143 1.00 0.00 H new ATOM 0 HE ARG A 173 -14.840 9.350 -5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -12.081 9.009 -3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -11.916 10.762 -3.180 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -14.622 11.479 -5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -13.312 12.116 -4.214 1.00 0.00 H new ATOM 1052 N GLU A 174 -14.961 5.416 -8.509 1.00 0.00 N ATOM 1053 CA GLU A 174 -16.204 4.656 -8.663 1.00 0.00 C ATOM 1054 C GLU A 174 -16.068 3.391 -9.524 1.00 0.00 C ATOM 1055 O GLU A 174 -16.755 2.397 -9.270 1.00 0.00 O ATOM 1056 CB GLU A 174 -17.266 5.580 -9.277 1.00 0.00 C ATOM 1057 CG GLU A 174 -17.754 6.689 -8.340 1.00 0.00 C ATOM 1058 CD GLU A 174 -18.860 6.181 -7.397 1.00 0.00 C ATOM 1059 OE1 GLU A 174 -18.536 5.596 -6.332 1.00 0.00 O ATOM 1060 OE2 GLU A 174 -20.061 6.353 -7.713 1.00 0.00 O ATOM 0 H GLU A 174 -15.045 6.384 -8.819 1.00 0.00 H new ATOM 0 HA GLU A 174 -16.489 4.311 -7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -16.857 6.036 -10.178 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.121 4.978 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -16.917 7.065 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -18.131 7.525 -8.929 1.00 0.00 H new ATOM 1067 N LYS A 175 -15.166 3.390 -10.516 1.00 0.00 N ATOM 1068 CA LYS A 175 -14.811 2.234 -11.330 1.00 0.00 C ATOM 1069 C LYS A 175 -13.972 1.219 -10.526 1.00 0.00 C ATOM 1070 O LYS A 175 -14.323 0.039 -10.522 1.00 0.00 O ATOM 1071 CB LYS A 175 -14.168 2.797 -12.612 1.00 0.00 C ATOM 1072 CG LYS A 175 -13.236 1.857 -13.363 1.00 0.00 C ATOM 1073 CD LYS A 175 -13.909 0.600 -13.940 1.00 0.00 C ATOM 1074 CE LYS A 175 -13.065 -0.096 -15.019 1.00 0.00 C ATOM 1075 NZ LYS A 175 -11.741 -0.557 -14.527 1.00 0.00 N ATOM 0 H LYS A 175 -14.648 4.229 -10.778 1.00 0.00 H new ATOM 0 HA LYS A 175 -15.671 1.634 -11.627 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -14.965 3.103 -13.289 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -13.610 3.696 -12.350 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -12.769 2.408 -14.179 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -12.437 1.547 -12.690 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -14.105 -0.104 -13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -14.875 0.875 -14.364 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -13.618 -0.952 -15.407 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -12.916 0.591 -15.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -11.540 -1.504 -14.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -11.004 0.106 -14.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -11.751 -0.596 -13.488 1.00 0.00 H new ATOM 1089 N LEU A 176 -12.892 1.628 -9.842 1.00 0.00 N ATOM 1090 CA LEU A 176 -11.996 0.743 -9.101 1.00 0.00 C ATOM 1091 C LEU A 176 -12.536 0.296 -7.730 1.00 0.00 C ATOM 1092 O LEU A 176 -12.084 -0.691 -7.150 1.00 0.00 O ATOM 1093 CB LEU A 176 -10.651 1.458 -8.941 1.00 0.00 C ATOM 1094 CG LEU A 176 -9.996 2.034 -10.201 1.00 0.00 C ATOM 1095 CD1 LEU A 176 -8.604 2.555 -9.900 1.00 0.00 C ATOM 1096 CD2 LEU A 176 -9.866 1.018 -11.336 1.00 0.00 C ATOM 0 H LEU A 176 -12.616 2.609 -9.791 1.00 0.00 H new ATOM 0 HA LEU A 176 -11.895 -0.178 -9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -10.787 2.274 -8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -9.950 0.756 -8.489 1.00 0.00 H new ATOM 0 HG LEU A 176 -10.659 2.837 -10.522 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -8.162 2.958 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -8.665 3.341 -9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -7.984 1.741 -9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -9.394 1.492 -12.197 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -9.255 0.178 -11.004 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -10.856 0.658 -11.617 1.00 0.00 H new ATOM 1108 N HIS A 177 -13.519 1.008 -7.196 1.00 0.00 N ATOM 1109 CA HIS A 177 -14.234 0.696 -5.963 1.00 0.00 C ATOM 1110 C HIS A 177 -15.272 -0.403 -6.230 1.00 0.00 C ATOM 1111 O HIS A 177 -16.437 -0.136 -6.531 1.00 0.00 O ATOM 1112 CB HIS A 177 -14.824 2.014 -5.458 1.00 0.00 C ATOM 1113 CG HIS A 177 -15.302 2.003 -4.049 1.00 0.00 C ATOM 1114 ND1 HIS A 177 -15.197 0.934 -3.170 1.00 0.00 N ATOM 1115 CD2 HIS A 177 -15.609 3.134 -3.358 1.00 0.00 C ATOM 1116 CE1 HIS A 177 -15.463 1.449 -1.964 1.00 0.00 C ATOM 1117 NE2 HIS A 177 -15.783 2.748 -2.051 1.00 0.00 N ATOM 0 H HIS A 177 -13.858 1.865 -7.634 1.00 0.00 H new ATOM 0 HA HIS A 177 -13.588 0.290 -5.185 1.00 0.00 H new ATOM 0 HB2 HIS A 177 -14.069 2.793 -5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 177 -15.657 2.290 -6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 177 -15.698 4.134 -3.757 1.00 0.00 H new ATOM 0 HE1 HIS A 177 -15.425 0.891 -1.040 1.00 0.00 H new ATOM 0 HE2 HIS A 177 -16.099 3.343 -1.285 1.00 0.00 H new ATOM 1125 N GLY A 178 -14.800 -1.652 -6.227 1.00 0.00 N ATOM 1126 CA GLY A 178 -15.455 -2.796 -6.878 1.00 0.00 C ATOM 1127 C GLY A 178 -14.553 -3.597 -7.832 1.00 0.00 C ATOM 1128 O GLY A 178 -15.013 -4.583 -8.408 1.00 0.00 O ATOM 0 H GLY A 178 -13.929 -1.905 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 178 -15.832 -3.468 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 178 -16.319 -2.434 -7.435 1.00 0.00 H new ATOM 1132 N THR A 179 -13.282 -3.206 -8.006 1.00 0.00 N ATOM 1133 CA THR A 179 -12.279 -3.932 -8.801 1.00 0.00 C ATOM 1134 C THR A 179 -11.827 -5.153 -8.011 1.00 0.00 C ATOM 1135 O THR A 179 -11.088 -5.034 -7.028 1.00 0.00 O ATOM 1136 CB THR A 179 -11.123 -3.002 -9.242 1.00 0.00 C ATOM 1137 OG1 THR A 179 -11.495 -2.391 -10.460 1.00 0.00 O ATOM 1138 CG2 THR A 179 -9.754 -3.627 -9.509 1.00 0.00 C ATOM 0 H THR A 179 -12.913 -2.353 -7.586 1.00 0.00 H new ATOM 0 HA THR A 179 -12.716 -4.285 -9.735 1.00 0.00 H new ATOM 0 HB THR A 179 -10.992 -2.343 -8.384 1.00 0.00 H new ATOM 0 HG1 THR A 179 -10.777 -1.794 -10.759 1.00 0.00 H new ATOM 0 HG21 THR A 179 -9.051 -2.849 -9.808 1.00 0.00 H new ATOM 0 HG22 THR A 179 -9.393 -4.113 -8.603 1.00 0.00 H new ATOM 0 HG23 THR A 179 -9.840 -4.365 -10.307 1.00 0.00 H new ATOM 1146 N VAL A 180 -12.345 -6.321 -8.418 1.00 0.00 N ATOM 1147 CA VAL A 180 -11.917 -7.651 -7.968 1.00 0.00 C ATOM 1148 C VAL A 180 -10.629 -8.026 -8.707 1.00 0.00 C ATOM 1149 O VAL A 180 -10.645 -8.380 -9.887 1.00 0.00 O ATOM 1150 CB VAL A 180 -12.993 -8.738 -8.148 1.00 0.00 C ATOM 1151 CG1 VAL A 180 -12.592 -10.015 -7.396 1.00 0.00 C ATOM 1152 CG2 VAL A 180 -14.362 -8.299 -7.606 1.00 0.00 C ATOM 0 H VAL A 180 -13.105 -6.365 -9.097 1.00 0.00 H new ATOM 0 HA VAL A 180 -11.740 -7.598 -6.894 1.00 0.00 H new ATOM 0 HB VAL A 180 -13.070 -8.917 -9.221 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -13.362 -10.774 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -11.644 -10.385 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -12.485 -9.793 -6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -15.086 -9.099 -7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -14.279 -8.080 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -14.693 -7.406 -8.135 1.00 0.00 H new ATOM 1162 N VAL A 181 -9.500 -7.921 -8.013 1.00 0.00 N ATOM 1163 CA VAL A 181 -8.137 -8.187 -8.494 1.00 0.00 C ATOM 1164 C VAL A 181 -7.474 -9.225 -7.585 1.00 0.00 C ATOM 1165 O VAL A 181 -7.656 -9.191 -6.370 1.00 0.00 O ATOM 1166 CB VAL A 181 -7.359 -6.857 -8.559 1.00 0.00 C ATOM 1167 CG1 VAL A 181 -7.041 -6.304 -7.166 1.00 0.00 C ATOM 1168 CG2 VAL A 181 -6.060 -6.990 -9.355 1.00 0.00 C ATOM 0 H VAL A 181 -9.507 -7.629 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 181 -8.149 -8.605 -9.500 1.00 0.00 H new ATOM 0 HB VAL A 181 -8.017 -6.156 -9.072 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -6.493 -5.367 -7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -7.970 -6.126 -6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -6.434 -7.025 -6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -5.545 -6.029 -9.374 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -5.419 -7.736 -8.884 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -6.288 -7.300 -10.375 1.00 0.00 H new ATOM 1178 N GLU A 182 -6.769 -10.204 -8.151 1.00 0.00 N ATOM 1179 CA GLU A 182 -6.258 -11.389 -7.429 1.00 0.00 C ATOM 1180 C GLU A 182 -7.329 -12.139 -6.587 1.00 0.00 C ATOM 1181 O GLU A 182 -7.008 -12.840 -5.623 1.00 0.00 O ATOM 1182 CB GLU A 182 -5.011 -11.021 -6.594 1.00 0.00 C ATOM 1183 CG GLU A 182 -3.856 -10.395 -7.390 1.00 0.00 C ATOM 1184 CD GLU A 182 -3.292 -11.369 -8.446 1.00 0.00 C ATOM 1185 OE1 GLU A 182 -2.439 -12.223 -8.102 1.00 0.00 O ATOM 1186 OE2 GLU A 182 -3.702 -11.294 -9.630 1.00 0.00 O ATOM 0 H GLU A 182 -6.528 -10.204 -9.142 1.00 0.00 H new ATOM 0 HA GLU A 182 -5.965 -12.108 -8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 182 -5.310 -10.326 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 182 -4.645 -11.921 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 182 -4.204 -9.487 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 182 -3.060 -10.101 -6.705 1.00 0.00 H new ATOM 1193 N GLY A 183 -8.617 -12.001 -6.934 1.00 0.00 N ATOM 1194 CA GLY A 183 -9.756 -12.526 -6.169 1.00 0.00 C ATOM 1195 C GLY A 183 -10.123 -11.689 -4.936 1.00 0.00 C ATOM 1196 O GLY A 183 -10.531 -12.251 -3.914 1.00 0.00 O ATOM 0 H GLY A 183 -8.903 -11.507 -7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -10.624 -12.586 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -9.527 -13.543 -5.850 1.00 0.00 H new ATOM 1200 N ARG A 184 -9.941 -10.359 -4.991 1.00 0.00 N ATOM 1201 CA ARG A 184 -10.103 -9.416 -3.880 1.00 0.00 C ATOM 1202 C ARG A 184 -10.618 -8.077 -4.353 1.00 0.00 C ATOM 1203 O ARG A 184 -10.063 -7.506 -5.288 1.00 0.00 O ATOM 1204 CB ARG A 184 -8.738 -9.134 -3.251 1.00 0.00 C ATOM 1205 CG ARG A 184 -8.853 -8.810 -1.763 1.00 0.00 C ATOM 1206 CD ARG A 184 -9.292 -9.964 -0.831 1.00 0.00 C ATOM 1207 NE ARG A 184 -9.235 -11.299 -1.465 1.00 0.00 N ATOM 1208 CZ ARG A 184 -8.287 -12.216 -1.432 1.00 0.00 C ATOM 1209 NH1 ARG A 184 -7.200 -12.106 -0.728 1.00 0.00 N ATOM 1210 NH2 ARG A 184 -8.433 -13.292 -2.148 1.00 0.00 N ATOM 0 H ARG A 184 -9.663 -9.893 -5.855 1.00 0.00 H new ATOM 0 HA ARG A 184 -10.805 -9.870 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 184 -8.091 -10.001 -3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 184 -8.265 -8.300 -3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 184 -7.885 -8.444 -1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 184 -9.563 -7.991 -1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 184 -8.656 -9.965 0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 184 -10.311 -9.777 -0.492 1.00 0.00 H new ATOM 0 HE ARG A 184 -10.057 -11.550 -2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 184 -7.043 -11.274 -0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 184 -6.504 -12.851 -0.745 1.00 0.00 H new ATOM 0 HH21 ARG A 184 -9.268 -13.414 -2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 184 -7.712 -14.014 -2.137 1.00 0.00 H new ATOM 1224 N LYS A 185 -11.622 -7.542 -3.671 1.00 0.00 N ATOM 1225 CA LYS A 185 -12.211 -6.257 -4.039 1.00 0.00 C ATOM 1226 C LYS A 185 -11.561 -5.058 -3.341 1.00 0.00 C ATOM 1227 O LYS A 185 -11.649 -4.963 -2.115 1.00 0.00 O ATOM 1228 CB LYS A 185 -13.736 -6.336 -3.834 1.00 0.00 C ATOM 1229 CG LYS A 185 -14.489 -5.094 -4.340 1.00 0.00 C ATOM 1230 CD LYS A 185 -15.031 -4.195 -3.213 1.00 0.00 C ATOM 1231 CE LYS A 185 -16.237 -4.842 -2.515 1.00 0.00 C ATOM 1232 NZ LYS A 185 -16.898 -3.920 -1.552 1.00 0.00 N ATOM 0 H LYS A 185 -12.049 -7.980 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 185 -12.007 -6.071 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -14.118 -7.217 -4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -13.945 -6.471 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -13.821 -4.507 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -15.320 -5.415 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -14.243 -4.008 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -15.321 -3.228 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -16.961 -5.158 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -15.910 -5.739 -1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -17.797 -4.336 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -16.277 -3.771 -0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -17.083 -3.008 -2.016 1.00 0.00 H new ATOM 1246 N ILE A 186 -10.949 -4.138 -4.104 1.00 0.00 N ATOM 1247 CA ILE A 186 -10.526 -2.839 -3.542 1.00 0.00 C ATOM 1248 C ILE A 186 -11.750 -2.042 -3.059 1.00 0.00 C ATOM 1249 O ILE A 186 -12.736 -1.902 -3.785 1.00 0.00 O ATOM 1250 CB ILE A 186 -9.708 -1.963 -4.526 1.00 0.00 C ATOM 1251 CG1 ILE A 186 -8.478 -2.705 -5.087 1.00 0.00 C ATOM 1252 CG2 ILE A 186 -9.252 -0.670 -3.816 1.00 0.00 C ATOM 1253 CD1 ILE A 186 -7.513 -1.795 -5.864 1.00 0.00 C ATOM 0 H ILE A 186 -10.738 -4.262 -5.094 1.00 0.00 H new ATOM 0 HA ILE A 186 -9.867 -3.081 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 186 -10.359 -1.723 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 186 -7.939 -3.173 -4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 186 -8.816 -3.507 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 186 -8.677 -0.057 -4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 186 -10.126 -0.113 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 186 -8.630 -0.926 -2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 186 -6.672 -2.384 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 186 -8.036 -1.347 -6.709 1.00 0.00 H new ATOM 0 HD13 ILE A 186 -7.146 -1.008 -5.206 1.00 0.00 H new ATOM 1265 N GLU A 187 -11.638 -1.456 -1.868 1.00 0.00 N ATOM 1266 CA GLU A 187 -12.551 -0.448 -1.320 1.00 0.00 C ATOM 1267 C GLU A 187 -11.854 0.917 -1.257 1.00 0.00 C ATOM 1268 O GLU A 187 -11.094 1.179 -0.322 1.00 0.00 O ATOM 1269 CB GLU A 187 -13.095 -0.878 0.056 1.00 0.00 C ATOM 1270 CG GLU A 187 -13.705 -2.277 -0.015 1.00 0.00 C ATOM 1271 CD GLU A 187 -14.655 -2.593 1.153 1.00 0.00 C ATOM 1272 OE1 GLU A 187 -14.294 -2.378 2.334 1.00 0.00 O ATOM 1273 OE2 GLU A 187 -15.772 -3.093 0.866 1.00 0.00 O ATOM 0 H GLU A 187 -10.875 -1.679 -1.229 1.00 0.00 H new ATOM 0 HA GLU A 187 -13.410 -0.357 -1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 187 -12.290 -0.864 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 187 -13.847 -0.165 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 187 -14.249 -2.380 -0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 187 -12.902 -3.014 -0.030 1.00 0.00 H new ATOM 1280 N VAL A 188 -12.035 1.771 -2.274 1.00 0.00 N ATOM 1281 CA VAL A 188 -11.392 3.102 -2.291 1.00 0.00 C ATOM 1282 C VAL A 188 -12.214 4.107 -1.469 1.00 0.00 C ATOM 1283 O VAL A 188 -13.433 4.017 -1.405 1.00 0.00 O ATOM 1284 CB VAL A 188 -11.062 3.618 -3.720 1.00 0.00 C ATOM 1285 CG1 VAL A 188 -10.663 2.522 -4.723 1.00 0.00 C ATOM 1286 CG2 VAL A 188 -12.124 4.520 -4.304 1.00 0.00 C ATOM 0 H VAL A 188 -12.614 1.572 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 188 -10.419 2.992 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 188 -10.172 4.225 -3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 188 -10.451 2.975 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 188 -9.774 2.005 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 188 -11.481 1.809 -4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 188 -11.822 4.839 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 188 -13.068 3.978 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 188 -12.250 5.395 -3.666 1.00 0.00 H new ATOM 1296 N ASN A 189 -11.591 5.115 -0.872 1.00 0.00 N ATOM 1297 CA ASN A 189 -12.293 6.201 -0.193 1.00 0.00 C ATOM 1298 C ASN A 189 -11.515 7.508 -0.307 1.00 0.00 C ATOM 1299 O ASN A 189 -10.286 7.516 -0.402 1.00 0.00 O ATOM 1300 CB ASN A 189 -12.477 5.856 1.295 1.00 0.00 C ATOM 1301 CG ASN A 189 -13.461 4.729 1.570 1.00 0.00 C ATOM 1302 OD1 ASN A 189 -13.100 3.584 1.804 1.00 0.00 O ATOM 1303 ND2 ASN A 189 -14.742 5.023 1.579 1.00 0.00 N ATOM 0 H ASN A 189 -10.575 5.204 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 189 -13.265 6.325 -0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 189 -11.508 5.584 1.713 1.00 0.00 H new ATOM 0 HB3 ASN A 189 -12.812 6.749 1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 189 -15.430 4.298 1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 189 -15.048 5.976 1.384 1.00 0.00 H new ATOM 1310 N ASN A 190 -12.222 8.633 -0.206 1.00 0.00 N ATOM 1311 CA ASN A 190 -11.576 9.915 0.055 1.00 0.00 C ATOM 1312 C ASN A 190 -10.861 9.893 1.432 1.00 0.00 C ATOM 1313 O ASN A 190 -11.067 8.972 2.233 1.00 0.00 O ATOM 1314 CB ASN A 190 -12.613 11.050 -0.046 1.00 0.00 C ATOM 1315 CG ASN A 190 -13.637 11.009 1.078 1.00 0.00 C ATOM 1316 OD1 ASN A 190 -14.563 10.212 1.078 1.00 0.00 O ATOM 1317 ND2 ASN A 190 -13.499 11.848 2.082 1.00 0.00 N ATOM 0 H ASN A 190 -13.236 8.681 -0.301 1.00 0.00 H new ATOM 0 HA ASN A 190 -10.809 10.098 -0.698 1.00 0.00 H new ATOM 0 HB2 ASN A 190 -12.098 12.010 -0.028 1.00 0.00 H new ATOM 0 HB3 ASN A 190 -13.128 10.982 -1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 190 -14.163 11.831 2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 190 -12.728 12.515 2.087 1.00 0.00 H new ATOM 1324 N ALA A 191 -10.032 10.892 1.738 1.00 0.00 N ATOM 1325 CA ALA A 191 -9.139 10.832 2.900 1.00 0.00 C ATOM 1326 C ALA A 191 -9.365 11.882 3.998 1.00 0.00 C ATOM 1327 O ALA A 191 -10.048 12.895 3.824 1.00 0.00 O ATOM 1328 CB ALA A 191 -7.698 10.860 2.400 1.00 0.00 C ATOM 0 H ALA A 191 -9.959 11.754 1.198 1.00 0.00 H new ATOM 0 HA ALA A 191 -9.376 9.898 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 191 -7.017 10.816 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 191 -7.522 10.003 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 191 -7.524 11.781 1.843 1.00 0.00 H new ATOM 1334 N THR A 192 -8.697 11.621 5.120 1.00 0.00 N ATOM 1335 CA THR A 192 -8.439 12.509 6.263 1.00 0.00 C ATOM 1336 C THR A 192 -6.936 12.477 6.563 1.00 0.00 C ATOM 1337 O THR A 192 -6.294 11.489 6.218 1.00 0.00 O ATOM 1338 CB THR A 192 -9.277 12.020 7.453 1.00 0.00 C ATOM 1339 OG1 THR A 192 -9.565 13.109 8.304 1.00 0.00 O ATOM 1340 CG2 THR A 192 -8.643 10.911 8.272 1.00 0.00 C ATOM 0 H THR A 192 -8.283 10.701 5.270 1.00 0.00 H new ATOM 0 HA THR A 192 -8.722 13.540 6.052 1.00 0.00 H new ATOM 0 HB THR A 192 -10.180 11.593 7.016 1.00 0.00 H new ATOM 0 HG1 THR A 192 -10.101 12.798 9.063 1.00 0.00 H new ATOM 0 HG21 THR A 192 -9.310 10.635 9.088 1.00 0.00 H new ATOM 0 HG22 THR A 192 -8.469 10.043 7.636 1.00 0.00 H new ATOM 0 HG23 THR A 192 -7.694 11.258 8.681 1.00 0.00 H new