USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 771 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 56 LYS NZ :NH3+ -167:sc= 1.07 (180deg=-0.0829) USER MOD Set 1.2: A 61 CYS SG : rot 132:sc= 0.68 USER MOD Set 2.1: A 54 SER OG : rot -150:sc= 0.291 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.818 K(o=1.1,f=-2.9) USER MOD Set 3.1: A 45 SER OG : rot 150:sc= 0 USER MOD Set 3.2: A 48 HIS :FLIP no HE2:sc= -0.578 F(o=-2.6!,f=-0.58) USER MOD Single : A 20 HIS : no HE2:sc= -6.94! C(o=-6.9!,f=-6.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.9!) USER MOD Single : A 34 SER OG : rot -48:sc= 0.0103 USER MOD Single : A 35 GLN : amide:sc= -0.0465 X(o=-0.046,f=-0.046) USER MOD Single : A 39 SER OG : rot 77:sc= 0.232 USER MOD Single : A 46 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.0043) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -19:sc= -0.207 USER MOD Single : A 55 TYR OH : rot 90:sc= -0.397 USER MOD Single : A 58 GLN : amide:sc= -0.0405 K(o=-0.041,f=-1.3) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0474 USER MOD Single : A 60 SER OG : rot 44:sc= 1.26 USER MOD Single : A 62 CYS SG : rot -132:sc= -0.488 USER MOD Single : A 65 MET CE :methyl -131:sc= -0.21 (180deg=-2.85!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A 75 MET CE :methyl -127:sc= -0.0707 (180deg=-1.66) USER MOD Single : A 80 LYS NZ :NH3+ -135:sc= -0.955 (180deg=-2.89!) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -4.25! C(o=-6.2!,f=-4.2!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0453 USER MOD Single : A 85 SER OG : rot 11:sc= 0.191 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -4.63! X(o=-4.6!,f=-4.1) USER MOD Single : A 94 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.9!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 96 LYS NZ :NH3+ -130:sc= -1.15! (180deg=-2.79!) USER MOD Single : A 106 THR OG1 : rot 180:sc= -1.56 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot 170:sc= -1.41 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.126) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 15 -8.269 2.503 -16.375 1.00 0.00 N ATOM 156 CA VAL A 15 -7.617 2.631 -15.076 1.00 0.00 C ATOM 157 C VAL A 15 -7.221 4.078 -14.801 1.00 0.00 C ATOM 158 O VAL A 15 -6.728 4.790 -15.675 1.00 0.00 O ATOM 159 CB VAL A 15 -6.362 1.742 -14.990 1.00 0.00 C ATOM 160 CG1 VAL A 15 -5.388 2.080 -16.109 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.696 1.892 -13.630 1.00 0.00 C ATOM 0 HA VAL A 15 -8.337 2.305 -14.325 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.667 0.702 -15.109 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.508 1.441 -16.031 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.870 1.917 -17.073 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.087 3.124 -16.026 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.811 1.257 -13.586 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.405 2.932 -13.480 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.395 1.595 -12.848 1.00 0.00 H new ATOM 171 N PRO A 16 -7.441 4.524 -13.555 1.00 0.00 N ATOM 172 CA PRO A 16 -7.114 5.889 -13.134 1.00 0.00 C ATOM 173 C PRO A 16 -5.610 6.129 -13.059 1.00 0.00 C ATOM 174 O PRO A 16 -4.816 5.211 -13.264 1.00 0.00 O ATOM 175 CB PRO A 16 -7.741 5.990 -11.741 1.00 0.00 C ATOM 176 CG PRO A 16 -7.797 4.587 -11.248 1.00 0.00 C ATOM 177 CD PRO A 16 -8.025 3.729 -12.461 1.00 0.00 C ATOM 0 HA PRO A 16 -7.485 6.632 -13.839 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.141 6.618 -11.082 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.736 6.434 -11.786 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.869 4.313 -10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.602 4.460 -10.524 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.538 2.759 -12.365 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.086 3.538 -12.625 1.00 0.00 H new ATOM 185 N GLU A 17 -5.225 7.366 -12.764 1.00 0.00 N ATOM 186 CA GLU A 17 -3.815 7.724 -12.662 1.00 0.00 C ATOM 187 C GLU A 17 -3.296 7.492 -11.247 1.00 0.00 C ATOM 188 O GLU A 17 -2.177 7.013 -11.055 1.00 0.00 O ATOM 189 CB GLU A 17 -3.608 9.187 -13.061 1.00 0.00 C ATOM 190 CG GLU A 17 -4.724 10.107 -12.597 1.00 0.00 C ATOM 191 CD GLU A 17 -5.854 10.206 -13.602 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.638 10.798 -14.681 1.00 0.00 O ATOM 193 OE2 GLU A 17 -6.955 9.693 -13.312 1.00 0.00 O ATOM 0 H GLU A 17 -5.870 8.137 -12.591 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.254 7.086 -13.345 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.663 9.538 -12.646 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.523 9.251 -14.146 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.118 9.744 -11.648 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.317 11.102 -12.414 1.00 0.00 H new ATOM 200 N TRP A 18 -4.115 7.834 -10.259 1.00 0.00 N ATOM 201 CA TRP A 18 -3.738 7.664 -8.860 1.00 0.00 C ATOM 202 C TRP A 18 -3.408 6.206 -8.558 1.00 0.00 C ATOM 203 O TRP A 18 -2.863 5.889 -7.501 1.00 0.00 O ATOM 204 CB TRP A 18 -4.865 8.145 -7.945 1.00 0.00 C ATOM 205 CG TRP A 18 -6.192 7.524 -8.260 1.00 0.00 C ATOM 206 CD1 TRP A 18 -7.177 8.051 -9.045 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.679 6.260 -7.796 1.00 0.00 C ATOM 208 NE1 TRP A 18 -8.248 7.190 -9.096 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.966 6.084 -8.339 1.00 0.00 C ATOM 210 CE3 TRP A 18 -6.152 5.259 -6.975 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.731 4.949 -8.086 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.912 4.133 -6.726 1.00 0.00 C ATOM 213 CH2 TRP A 18 -8.191 3.985 -7.280 1.00 0.00 C ATOM 0 H TRP A 18 -5.044 8.231 -10.400 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.847 8.264 -8.674 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.604 7.922 -6.911 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.951 9.229 -8.025 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -7.123 9.004 -9.551 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.112 7.349 -9.614 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.168 5.364 -6.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.717 4.834 -8.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.514 3.353 -6.094 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.761 3.093 -7.066 1.00 0.00 H new ATOM 224 N PHE A 19 -3.742 5.323 -9.493 1.00 0.00 N ATOM 225 CA PHE A 19 -3.481 3.898 -9.326 1.00 0.00 C ATOM 226 C PHE A 19 -2.136 3.516 -9.935 1.00 0.00 C ATOM 227 O PHE A 19 -2.063 3.087 -11.088 1.00 0.00 O ATOM 228 CB PHE A 19 -4.599 3.075 -9.972 1.00 0.00 C ATOM 229 CG PHE A 19 -4.480 1.600 -9.715 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.564 1.097 -8.427 1.00 0.00 C ATOM 231 CD2 PHE A 19 -4.285 0.715 -10.764 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.455 -0.260 -8.189 1.00 0.00 C ATOM 233 CE2 PHE A 19 -4.176 -0.643 -10.532 1.00 0.00 C ATOM 234 CZ PHE A 19 -4.262 -1.131 -9.243 1.00 0.00 C ATOM 0 H PHE A 19 -4.194 5.569 -10.374 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.450 3.682 -8.258 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.561 3.425 -9.597 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.594 3.250 -11.048 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.716 1.773 -7.599 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.217 1.091 -11.774 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.521 -0.639 -7.180 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.024 -1.322 -11.358 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.178 -2.192 -9.060 1.00 0.00 H new ATOM 244 N HIS A 20 -1.073 3.674 -9.154 1.00 0.00 N ATOM 245 CA HIS A 20 0.271 3.346 -9.616 1.00 0.00 C ATOM 246 C HIS A 20 0.583 1.872 -9.376 1.00 0.00 C ATOM 247 O HIS A 20 1.739 1.495 -9.187 1.00 0.00 O ATOM 248 CB HIS A 20 1.305 4.220 -8.905 1.00 0.00 C ATOM 249 CG HIS A 20 1.111 5.687 -9.137 1.00 0.00 C ATOM 250 ND1 HIS A 20 1.960 6.445 -9.916 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.155 6.535 -8.690 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.536 7.696 -9.935 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.442 7.777 -9.199 1.00 0.00 N ATOM 0 H HIS A 20 -1.116 4.027 -8.198 1.00 0.00 H new ATOM 0 HA HIS A 20 0.318 3.540 -10.688 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.262 4.021 -7.834 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.302 3.936 -9.242 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.786 6.095 -10.401 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.678 6.281 -8.052 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.004 8.514 -10.463 1.00 0.00 H new ATOM 261 N GLY A 21 -0.456 1.043 -9.385 1.00 0.00 N ATOM 262 CA GLY A 21 -0.272 -0.380 -9.166 1.00 0.00 C ATOM 263 C GLY A 21 0.541 -0.675 -7.921 1.00 0.00 C ATOM 264 O GLY A 21 0.263 -0.138 -6.849 1.00 0.00 O ATOM 0 H GLY A 21 -1.422 1.331 -9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.247 -0.860 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.225 -0.817 -10.032 1.00 0.00 H new ATOM 268 N ALA A 22 1.546 -1.532 -8.063 1.00 0.00 N ATOM 269 CA ALA A 22 2.401 -1.898 -6.940 1.00 0.00 C ATOM 270 C ALA A 22 3.812 -1.348 -7.123 1.00 0.00 C ATOM 271 O ALA A 22 4.679 -2.013 -7.692 1.00 0.00 O ATOM 272 CB ALA A 22 2.440 -3.410 -6.776 1.00 0.00 C ATOM 0 H ALA A 22 1.788 -1.986 -8.944 1.00 0.00 H new ATOM 0 HA ALA A 22 1.980 -1.457 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.082 -3.668 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.432 -3.782 -6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.834 -3.865 -7.685 1.00 0.00 H new ATOM 278 N ILE A 23 4.036 -0.131 -6.639 1.00 0.00 N ATOM 279 CA ILE A 23 5.342 0.507 -6.749 1.00 0.00 C ATOM 280 C ILE A 23 6.140 0.351 -5.460 1.00 0.00 C ATOM 281 O ILE A 23 5.631 -0.152 -4.459 1.00 0.00 O ATOM 282 CB ILE A 23 5.210 2.006 -7.081 1.00 0.00 C ATOM 283 CG1 ILE A 23 4.128 2.649 -6.211 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.894 2.195 -8.557 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.204 4.159 -6.173 1.00 0.00 C ATOM 0 H ILE A 23 3.330 0.433 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 23 5.870 0.008 -7.562 1.00 0.00 H new ATOM 0 HB ILE A 23 6.160 2.497 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.148 2.352 -6.584 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.213 2.263 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.804 3.259 -8.776 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.696 1.767 -9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.955 1.694 -8.795 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.408 4.548 -5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.170 4.465 -5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.089 4.555 -7.182 1.00 0.00 H new ATOM 297 N SER A 24 7.395 0.790 -5.491 1.00 0.00 N ATOM 298 CA SER A 24 8.265 0.698 -4.324 1.00 0.00 C ATOM 299 C SER A 24 8.232 1.993 -3.518 1.00 0.00 C ATOM 300 O SER A 24 8.135 3.084 -4.079 1.00 0.00 O ATOM 301 CB SER A 24 9.700 0.390 -4.756 1.00 0.00 C ATOM 302 OG SER A 24 9.763 -0.817 -5.496 1.00 0.00 O ATOM 0 H SER A 24 7.831 1.212 -6.311 1.00 0.00 H new ATOM 0 HA SER A 24 7.900 -0.112 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.085 1.211 -5.361 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.339 0.315 -3.876 1.00 0.00 H new ATOM 0 HG SER A 24 10.690 -0.990 -5.761 1.00 0.00 H new ATOM 308 N ARG A 25 8.313 1.862 -2.198 1.00 0.00 N ATOM 309 CA ARG A 25 8.291 3.021 -1.313 1.00 0.00 C ATOM 310 C ARG A 25 9.100 4.172 -1.903 1.00 0.00 C ATOM 311 O ARG A 25 8.673 5.325 -1.868 1.00 0.00 O ATOM 312 CB ARG A 25 8.843 2.648 0.064 1.00 0.00 C ATOM 313 CG ARG A 25 8.301 3.510 1.192 1.00 0.00 C ATOM 314 CD ARG A 25 9.278 3.588 2.355 1.00 0.00 C ATOM 315 NE ARG A 25 9.210 2.404 3.207 1.00 0.00 N ATOM 316 CZ ARG A 25 8.228 2.176 4.071 1.00 0.00 C ATOM 317 NH1 ARG A 25 7.235 3.047 4.195 1.00 0.00 N ATOM 318 NH2 ARG A 25 8.235 1.076 4.812 1.00 0.00 N ATOM 0 H ARG A 25 8.394 0.966 -1.718 1.00 0.00 H new ATOM 0 HA ARG A 25 7.256 3.345 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.606 1.604 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.930 2.731 0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.098 4.514 0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.352 3.101 1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.292 3.700 1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.063 4.476 2.950 1.00 0.00 H new ATOM 0 HE ARG A 25 9.958 1.714 3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.225 3.894 3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.481 2.870 4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.996 0.403 4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.480 0.903 5.475 1.00 0.00 H new ATOM 332 N GLU A 26 10.270 3.848 -2.445 1.00 0.00 N ATOM 333 CA GLU A 26 11.139 4.856 -3.042 1.00 0.00 C ATOM 334 C GLU A 26 10.464 5.514 -4.242 1.00 0.00 C ATOM 335 O GLU A 26 10.543 6.730 -4.422 1.00 0.00 O ATOM 336 CB GLU A 26 12.467 4.228 -3.470 1.00 0.00 C ATOM 337 CG GLU A 26 12.307 3.077 -4.450 1.00 0.00 C ATOM 338 CD GLU A 26 13.628 2.417 -4.794 1.00 0.00 C ATOM 339 OE1 GLU A 26 14.258 1.838 -3.885 1.00 0.00 O ATOM 340 OE2 GLU A 26 14.033 2.480 -5.975 1.00 0.00 O ATOM 0 H GLU A 26 10.637 2.897 -2.483 1.00 0.00 H new ATOM 0 HA GLU A 26 11.333 5.622 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.093 4.996 -3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.992 3.870 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.633 2.333 -4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.840 3.445 -5.364 1.00 0.00 H new ATOM 347 N ASP A 27 9.803 4.704 -5.060 1.00 0.00 N ATOM 348 CA ASP A 27 9.114 5.206 -6.243 1.00 0.00 C ATOM 349 C ASP A 27 8.035 6.212 -5.857 1.00 0.00 C ATOM 350 O ASP A 27 8.123 7.393 -6.195 1.00 0.00 O ATOM 351 CB ASP A 27 8.493 4.049 -7.027 1.00 0.00 C ATOM 352 CG ASP A 27 9.502 3.340 -7.909 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.534 3.958 -8.244 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.258 2.169 -8.266 1.00 0.00 O ATOM 0 H ASP A 27 9.729 3.696 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 27 9.847 5.710 -6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.058 3.333 -6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.678 4.428 -7.644 1.00 0.00 H new ATOM 359 N ALA A 28 7.017 5.738 -5.147 1.00 0.00 N ATOM 360 CA ALA A 28 5.921 6.596 -4.715 1.00 0.00 C ATOM 361 C ALA A 28 6.430 7.977 -4.316 1.00 0.00 C ATOM 362 O ALA A 28 5.970 8.993 -4.836 1.00 0.00 O ATOM 363 CB ALA A 28 5.172 5.954 -3.557 1.00 0.00 C ATOM 0 H ALA A 28 6.928 4.764 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 28 5.236 6.717 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.356 6.606 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.767 4.993 -3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.855 5.802 -2.721 1.00 0.00 H new ATOM 369 N GLU A 29 7.383 8.007 -3.389 1.00 0.00 N ATOM 370 CA GLU A 29 7.952 9.264 -2.919 1.00 0.00 C ATOM 371 C GLU A 29 8.485 10.090 -4.088 1.00 0.00 C ATOM 372 O GLU A 29 8.286 11.302 -4.147 1.00 0.00 O ATOM 373 CB GLU A 29 9.075 8.998 -1.916 1.00 0.00 C ATOM 374 CG GLU A 29 8.576 8.671 -0.518 1.00 0.00 C ATOM 375 CD GLU A 29 9.571 9.053 0.562 1.00 0.00 C ATOM 376 OE1 GLU A 29 9.821 10.265 0.734 1.00 0.00 O ATOM 377 OE2 GLU A 29 10.099 8.143 1.232 1.00 0.00 O ATOM 0 H GLU A 29 7.777 7.175 -2.949 1.00 0.00 H new ATOM 0 HA GLU A 29 7.161 9.829 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.686 8.171 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.722 9.874 -1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.635 9.193 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.366 7.603 -0.452 1.00 0.00 H new ATOM 384 N ASN A 30 9.164 9.421 -5.015 1.00 0.00 N ATOM 385 CA ASN A 30 9.727 10.092 -6.181 1.00 0.00 C ATOM 386 C ASN A 30 8.624 10.553 -7.129 1.00 0.00 C ATOM 387 O ASN A 30 8.805 11.500 -7.897 1.00 0.00 O ATOM 388 CB ASN A 30 10.690 9.159 -6.917 1.00 0.00 C ATOM 389 CG ASN A 30 12.110 9.266 -6.397 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.378 9.984 -5.434 1.00 0.00 O ATOM 391 ND2 ASN A 30 13.029 8.551 -7.035 1.00 0.00 N ATOM 0 H ASN A 30 9.337 8.416 -4.981 1.00 0.00 H new ATOM 0 HA ASN A 30 10.274 10.969 -5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.345 8.130 -6.814 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.677 9.394 -7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.002 8.584 -6.731 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.762 7.969 -7.829 1.00 0.00 H new ATOM 398 N LEU A 31 7.481 9.879 -7.070 1.00 0.00 N ATOM 399 CA LEU A 31 6.347 10.218 -7.922 1.00 0.00 C ATOM 400 C LEU A 31 5.660 11.490 -7.434 1.00 0.00 C ATOM 401 O LEU A 31 5.055 12.223 -8.218 1.00 0.00 O ATOM 402 CB LEU A 31 5.344 9.063 -7.956 1.00 0.00 C ATOM 403 CG LEU A 31 5.586 7.995 -9.022 1.00 0.00 C ATOM 404 CD1 LEU A 31 4.948 6.678 -8.612 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.048 8.454 -10.370 1.00 0.00 C ATOM 0 H LEU A 31 7.315 9.094 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 31 6.722 10.394 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.344 8.579 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.347 9.478 -8.106 1.00 0.00 H new ATOM 0 HG LEU A 31 6.661 7.841 -9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.131 5.930 -9.383 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.381 6.342 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.874 6.817 -8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.229 7.681 -11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.977 8.638 -10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.552 9.373 -10.669 1.00 0.00 H new ATOM 417 N LEU A 32 5.758 11.746 -6.134 1.00 0.00 N ATOM 418 CA LEU A 32 5.148 12.930 -5.540 1.00 0.00 C ATOM 419 C LEU A 32 6.178 14.042 -5.360 1.00 0.00 C ATOM 420 O LEU A 32 5.839 15.224 -5.385 1.00 0.00 O ATOM 421 CB LEU A 32 4.518 12.582 -4.190 1.00 0.00 C ATOM 422 CG LEU A 32 3.427 11.510 -4.216 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.091 11.057 -2.804 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.184 12.031 -4.922 1.00 0.00 C ATOM 0 H LEU A 32 6.254 11.150 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 32 4.371 13.285 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.309 12.251 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.096 13.492 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 32 3.802 10.650 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.313 10.294 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.982 10.643 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.736 11.909 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.419 11.255 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.806 12.907 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.435 12.305 -5.947 1.00 0.00 H new ATOM 436 N GLU A 33 7.436 13.652 -5.184 1.00 0.00 N ATOM 437 CA GLU A 33 8.515 14.616 -5.002 1.00 0.00 C ATOM 438 C GLU A 33 8.507 15.658 -6.117 1.00 0.00 C ATOM 439 O GLU A 33 8.580 16.860 -5.859 1.00 0.00 O ATOM 440 CB GLU A 33 9.867 13.901 -4.967 1.00 0.00 C ATOM 441 CG GLU A 33 10.519 13.765 -6.332 1.00 0.00 C ATOM 442 CD GLU A 33 11.871 13.079 -6.267 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.612 13.320 -5.293 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.185 12.302 -7.193 1.00 0.00 O ATOM 0 H GLU A 33 7.733 12.676 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 33 8.357 15.125 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.540 14.446 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.732 12.908 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.860 13.199 -6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.638 14.754 -6.774 1.00 0.00 H new ATOM 451 N SER A 34 8.419 15.188 -7.357 1.00 0.00 N ATOM 452 CA SER A 34 8.406 16.078 -8.513 1.00 0.00 C ATOM 453 C SER A 34 7.000 16.611 -8.773 1.00 0.00 C ATOM 454 O SER A 34 6.727 17.181 -9.828 1.00 0.00 O ATOM 455 CB SER A 34 8.924 15.346 -9.752 1.00 0.00 C ATOM 456 OG SER A 34 9.465 16.256 -10.694 1.00 0.00 O ATOM 0 H SER A 34 8.356 14.196 -7.587 1.00 0.00 H new ATOM 0 HA SER A 34 9.061 16.922 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.687 14.625 -9.459 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.112 14.783 -10.211 1.00 0.00 H new ATOM 0 HG SER A 34 8.839 16.998 -10.829 1.00 0.00 H new ATOM 462 N GLN A 35 6.114 16.420 -7.800 1.00 0.00 N ATOM 463 CA GLN A 35 4.736 16.881 -7.924 1.00 0.00 C ATOM 464 C GLN A 35 4.437 17.982 -6.912 1.00 0.00 C ATOM 465 O GLN A 35 5.067 18.078 -5.859 1.00 0.00 O ATOM 466 CB GLN A 35 3.767 15.714 -7.727 1.00 0.00 C ATOM 467 CG GLN A 35 3.830 14.676 -8.836 1.00 0.00 C ATOM 468 CD GLN A 35 3.259 15.185 -10.145 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.044 15.317 -10.295 1.00 0.00 O ATOM 470 NE2 GLN A 35 4.135 15.473 -11.101 1.00 0.00 N ATOM 0 H GLN A 35 6.325 15.950 -6.919 1.00 0.00 H new ATOM 0 HA GLN A 35 4.604 17.289 -8.926 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.984 15.230 -6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.751 16.103 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.867 14.375 -8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.282 13.786 -8.527 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.133 15.348 -10.932 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.809 15.819 -12.004 1.00 0.00 H new ATOM 479 N PRO A 36 3.453 18.834 -7.236 1.00 0.00 N ATOM 480 CA PRO A 36 3.049 19.944 -6.369 1.00 0.00 C ATOM 481 C PRO A 36 2.348 19.464 -5.103 1.00 0.00 C ATOM 482 O PRO A 36 1.735 18.395 -5.087 1.00 0.00 O ATOM 483 CB PRO A 36 2.082 20.745 -7.245 1.00 0.00 C ATOM 484 CG PRO A 36 1.545 19.754 -8.220 1.00 0.00 C ATOM 485 CD PRO A 36 2.660 18.780 -8.476 1.00 0.00 C ATOM 0 HA PRO A 36 3.905 20.521 -6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.283 21.188 -6.650 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.593 21.563 -7.753 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.668 19.247 -7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.235 20.243 -9.143 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.281 17.776 -8.667 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.253 19.067 -9.345 1.00 0.00 H new ATOM 493 N LEU A 37 2.440 20.260 -4.043 1.00 0.00 N ATOM 494 CA LEU A 37 1.814 19.916 -2.771 1.00 0.00 C ATOM 495 C LEU A 37 0.341 19.565 -2.966 1.00 0.00 C ATOM 496 O LEU A 37 -0.422 20.342 -3.537 1.00 0.00 O ATOM 497 CB LEU A 37 1.946 21.077 -1.784 1.00 0.00 C ATOM 498 CG LEU A 37 2.014 20.697 -0.306 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.746 19.972 0.119 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.238 19.835 -0.032 1.00 0.00 C ATOM 0 H LEU A 37 2.942 21.148 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 37 2.327 19.043 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.845 21.641 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.099 21.747 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 37 2.099 21.612 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.813 19.710 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.115 20.622 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.630 19.065 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.270 19.574 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.183 18.925 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.139 20.388 -0.296 1.00 0.00 H new ATOM 512 N GLY A 38 -0.049 18.388 -2.486 1.00 0.00 N ATOM 513 CA GLY A 38 -1.429 17.956 -2.615 1.00 0.00 C ATOM 514 C GLY A 38 -1.570 16.720 -3.481 1.00 0.00 C ATOM 515 O GLY A 38 -2.513 15.945 -3.320 1.00 0.00 O ATOM 0 H GLY A 38 0.565 17.727 -2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.837 17.751 -1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.022 18.765 -3.042 1.00 0.00 H new ATOM 519 N SER A 39 -0.631 16.535 -4.404 1.00 0.00 N ATOM 520 CA SER A 39 -0.657 15.387 -5.302 1.00 0.00 C ATOM 521 C SER A 39 -0.741 14.082 -4.515 1.00 0.00 C ATOM 522 O SER A 39 0.169 13.741 -3.759 1.00 0.00 O ATOM 523 CB SER A 39 0.586 15.380 -6.192 1.00 0.00 C ATOM 524 OG SER A 39 0.704 16.594 -6.915 1.00 0.00 O ATOM 0 H SER A 39 0.157 17.166 -4.549 1.00 0.00 H new ATOM 0 HA SER A 39 -1.544 15.469 -5.930 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.475 15.230 -5.579 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.534 14.543 -6.888 1.00 0.00 H new ATOM 0 HG SER A 39 1.035 17.298 -6.320 1.00 0.00 H new ATOM 530 N PHE A 40 -1.839 13.357 -4.698 1.00 0.00 N ATOM 531 CA PHE A 40 -2.043 12.091 -4.005 1.00 0.00 C ATOM 532 C PHE A 40 -1.916 10.916 -4.970 1.00 0.00 C ATOM 533 O PHE A 40 -2.160 11.054 -6.170 1.00 0.00 O ATOM 534 CB PHE A 40 -3.419 12.068 -3.334 1.00 0.00 C ATOM 535 CG PHE A 40 -4.552 11.863 -4.298 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.874 10.594 -4.751 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.295 12.941 -4.752 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.917 10.402 -5.637 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.340 12.755 -5.638 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.650 11.485 -6.083 1.00 0.00 C ATOM 0 H PHE A 40 -2.601 13.625 -5.321 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.272 11.996 -3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.438 11.273 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.571 13.007 -2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.303 9.744 -4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.055 13.937 -4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.159 9.407 -5.980 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.914 13.603 -5.982 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.464 11.339 -6.778 1.00 0.00 H new ATOM 550 N LEU A 41 -1.532 9.760 -4.439 1.00 0.00 N ATOM 551 CA LEU A 41 -1.373 8.560 -5.253 1.00 0.00 C ATOM 552 C LEU A 41 -1.409 7.306 -4.385 1.00 0.00 C ATOM 553 O LEU A 41 -0.908 7.301 -3.261 1.00 0.00 O ATOM 554 CB LEU A 41 -0.055 8.619 -6.029 1.00 0.00 C ATOM 555 CG LEU A 41 1.156 7.982 -5.345 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.312 8.519 -3.931 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.026 6.467 -5.331 1.00 0.00 C ATOM 0 H LEU A 41 -1.325 9.628 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.202 8.515 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.202 8.131 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.177 9.664 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 41 2.049 8.243 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.178 8.055 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.453 9.599 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.417 8.288 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.897 6.032 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.124 6.184 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.964 6.098 -6.355 1.00 0.00 H new ATOM 569 N ILE A 42 -2.005 6.243 -4.916 1.00 0.00 N ATOM 570 CA ILE A 42 -2.104 4.982 -4.192 1.00 0.00 C ATOM 571 C ILE A 42 -1.229 3.910 -4.832 1.00 0.00 C ATOM 572 O ILE A 42 -1.026 3.903 -6.046 1.00 0.00 O ATOM 573 CB ILE A 42 -3.558 4.476 -4.139 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.419 5.421 -3.298 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.607 3.063 -3.576 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.904 5.165 -3.432 1.00 0.00 C ATOM 0 H ILE A 42 -2.426 6.230 -5.845 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.756 5.173 -3.177 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.958 4.456 -5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.135 5.323 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.208 6.449 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.641 2.719 -3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.023 2.398 -4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.193 3.058 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.453 5.871 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.203 5.291 -4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.128 4.148 -3.111 1.00 0.00 H new ATOM 588 N ARG A 43 -0.712 3.006 -4.006 1.00 0.00 N ATOM 589 CA ARG A 43 0.142 1.929 -4.491 1.00 0.00 C ATOM 590 C ARG A 43 -0.168 0.621 -3.768 1.00 0.00 C ATOM 591 O ARG A 43 0.136 0.467 -2.585 1.00 0.00 O ATOM 592 CB ARG A 43 1.616 2.292 -4.300 1.00 0.00 C ATOM 593 CG ARG A 43 2.023 2.440 -2.844 1.00 0.00 C ATOM 594 CD ARG A 43 3.150 3.447 -2.681 1.00 0.00 C ATOM 595 NE ARG A 43 3.763 3.374 -1.357 1.00 0.00 N ATOM 596 CZ ARG A 43 4.580 2.397 -0.979 1.00 0.00 C ATOM 597 NH1 ARG A 43 4.881 1.417 -1.820 1.00 0.00 N ATOM 598 NH2 ARG A 43 5.098 2.399 0.242 1.00 0.00 N ATOM 0 H ARG A 43 -0.870 2.998 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.057 1.793 -5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.234 1.524 -4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.822 3.226 -4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.162 2.757 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.338 1.473 -2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.909 3.268 -3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.764 4.453 -2.847 1.00 0.00 H new ATOM 0 HE ARG A 43 3.552 4.113 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.485 1.412 -2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.509 0.668 -1.527 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.869 3.151 0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.725 1.648 0.531 1.00 0.00 H new ATOM 612 N VAL A 44 -0.777 -0.317 -4.487 1.00 0.00 N ATOM 613 CA VAL A 44 -1.127 -1.612 -3.914 1.00 0.00 C ATOM 614 C VAL A 44 -0.052 -2.094 -2.947 1.00 0.00 C ATOM 615 O VAL A 44 1.141 -2.015 -3.238 1.00 0.00 O ATOM 616 CB VAL A 44 -1.330 -2.674 -5.010 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.734 -4.006 -4.395 1.00 0.00 C ATOM 618 CG2 VAL A 44 -2.369 -2.206 -6.019 1.00 0.00 C ATOM 0 H VAL A 44 -1.038 -0.205 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.063 -1.476 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.385 -2.815 -5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.873 -4.744 -5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.952 -4.345 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.667 -3.884 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.500 -2.969 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.318 -2.035 -5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.034 -1.278 -6.483 1.00 0.00 H new ATOM 628 N SER A 45 -0.483 -2.596 -1.794 1.00 0.00 N ATOM 629 CA SER A 45 0.443 -3.089 -0.781 1.00 0.00 C ATOM 630 C SER A 45 0.561 -4.609 -0.846 1.00 0.00 C ATOM 631 O SER A 45 -0.325 -5.290 -1.366 1.00 0.00 O ATOM 632 CB SER A 45 -0.018 -2.662 0.614 1.00 0.00 C ATOM 633 OG SER A 45 1.001 -2.873 1.575 1.00 0.00 O ATOM 0 H SER A 45 -1.467 -2.672 -1.538 1.00 0.00 H new ATOM 0 HA SER A 45 1.423 -2.656 -0.980 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.298 -1.609 0.601 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.908 -3.225 0.894 1.00 0.00 H new ATOM 0 HG SER A 45 0.918 -2.209 2.291 1.00 0.00 H new ATOM 639 N HIS A 46 1.660 -5.135 -0.317 1.00 0.00 N ATOM 640 CA HIS A 46 1.895 -6.574 -0.313 1.00 0.00 C ATOM 641 C HIS A 46 2.053 -7.096 1.112 1.00 0.00 C ATOM 642 O HIS A 46 1.413 -8.073 1.500 1.00 0.00 O ATOM 643 CB HIS A 46 3.140 -6.911 -1.134 1.00 0.00 C ATOM 644 CG HIS A 46 2.903 -6.904 -2.613 1.00 0.00 C ATOM 645 ND1 HIS A 46 3.843 -6.470 -3.524 1.00 0.00 N ATOM 646 CD2 HIS A 46 1.826 -7.285 -3.338 1.00 0.00 C ATOM 647 CE1 HIS A 46 3.353 -6.581 -4.746 1.00 0.00 C ATOM 648 NE2 HIS A 46 2.130 -7.075 -4.660 1.00 0.00 N ATOM 0 H HIS A 46 2.403 -4.586 0.115 1.00 0.00 H new ATOM 0 HA HIS A 46 1.029 -7.059 -0.764 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.926 -6.194 -0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.505 -7.894 -0.838 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.899 -7.681 -2.949 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.864 -6.314 -5.659 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.512 -7.269 -5.448 1.00 0.00 H new ATOM 656 N SER A 47 2.910 -6.438 1.886 1.00 0.00 N ATOM 657 CA SER A 47 3.156 -6.839 3.265 1.00 0.00 C ATOM 658 C SER A 47 1.847 -7.144 3.984 1.00 0.00 C ATOM 659 O SER A 47 1.739 -8.135 4.709 1.00 0.00 O ATOM 660 CB SER A 47 3.915 -5.738 4.011 1.00 0.00 C ATOM 661 OG SER A 47 5.234 -5.598 3.510 1.00 0.00 O ATOM 0 H SER A 47 3.445 -5.625 1.581 1.00 0.00 H new ATOM 0 HA SER A 47 3.763 -7.745 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.382 -4.792 3.910 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.950 -5.973 5.075 1.00 0.00 H new ATOM 0 HG SER A 47 5.697 -4.888 4.002 1.00 0.00 H new ATOM 667 N HIS A 48 0.851 -6.288 3.778 1.00 0.00 N ATOM 668 CA HIS A 48 -0.453 -6.466 4.406 1.00 0.00 C ATOM 669 C HIS A 48 -1.563 -6.471 3.359 1.00 0.00 C ATOM 670 O HIS A 48 -1.519 -5.716 2.388 1.00 0.00 O ATOM 671 CB HIS A 48 -0.706 -5.357 5.429 1.00 0.00 C ATOM 672 CG HIS A 48 -1.187 -4.077 4.818 1.00 0.00 C ATOM 673 ND1 HIS A 48 -2.382 -3.750 4.275 1.00 0.00 N flip ATOM 674 CD2 HIS A 48 -0.398 -2.951 4.714 1.00 0.00 C flip ATOM 675 CE1 HIS A 48 -2.296 -2.444 3.859 1.00 0.00 C flip ATOM 676 NE2 HIS A 48 -1.089 -1.984 4.135 1.00 0.00 N flip ATOM 0 H HIS A 48 0.922 -5.464 3.181 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.455 -7.429 4.917 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.443 -5.704 6.154 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.215 -5.164 5.979 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -3.195 -4.360 4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.624 -2.871 5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.087 -1.884 3.383 1.00 0.00 H new ATOM 684 N VAL A 49 -2.558 -7.329 3.562 1.00 0.00 N ATOM 685 CA VAL A 49 -3.680 -7.433 2.637 1.00 0.00 C ATOM 686 C VAL A 49 -4.443 -6.116 2.549 1.00 0.00 C ATOM 687 O VAL A 49 -5.016 -5.652 3.533 1.00 0.00 O ATOM 688 CB VAL A 49 -4.653 -8.550 3.056 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.850 -8.597 2.121 1.00 0.00 C ATOM 690 CG2 VAL A 49 -3.939 -9.894 3.088 1.00 0.00 C ATOM 0 H VAL A 49 -2.610 -7.963 4.360 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.262 -7.674 1.660 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.016 -8.332 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.525 -9.393 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.375 -7.642 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.510 -8.790 1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.642 -10.672 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.545 -10.121 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.118 -9.853 3.804 1.00 0.00 H new ATOM 700 N GLY A 50 -4.448 -5.518 1.361 1.00 0.00 N ATOM 701 CA GLY A 50 -5.145 -4.260 1.166 1.00 0.00 C ATOM 702 C GLY A 50 -4.391 -3.317 0.250 1.00 0.00 C ATOM 703 O GLY A 50 -3.782 -3.746 -0.731 1.00 0.00 O ATOM 0 H GLY A 50 -3.982 -5.883 0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.132 -4.456 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.298 -3.779 2.132 1.00 0.00 H new ATOM 707 N TYR A 51 -4.433 -2.028 0.569 1.00 0.00 N ATOM 708 CA TYR A 51 -3.752 -1.019 -0.235 1.00 0.00 C ATOM 709 C TYR A 51 -3.068 0.014 0.654 1.00 0.00 C ATOM 710 O TYR A 51 -3.117 -0.073 1.881 1.00 0.00 O ATOM 711 CB TYR A 51 -4.745 -0.328 -1.170 1.00 0.00 C ATOM 712 CG TYR A 51 -5.520 -1.287 -2.045 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.601 -1.999 -1.542 1.00 0.00 C ATOM 714 CD2 TYR A 51 -5.171 -1.480 -3.377 1.00 0.00 C ATOM 715 CE1 TYR A 51 -7.312 -2.876 -2.337 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.878 -2.355 -4.180 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.947 -3.050 -3.655 1.00 0.00 C ATOM 718 OH TYR A 51 -7.653 -3.923 -4.453 1.00 0.00 O ATOM 0 H TYR A 51 -4.931 -1.657 1.378 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.989 -1.519 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.447 0.255 -0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.205 0.375 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.891 -1.864 -0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.334 -0.937 -3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.149 -3.423 -1.929 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.595 -2.494 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.267 -3.928 -5.354 1.00 0.00 H new ATOM 728 N THR A 52 -2.430 0.998 0.025 1.00 0.00 N ATOM 729 CA THR A 52 -1.736 2.050 0.757 1.00 0.00 C ATOM 730 C THR A 52 -1.871 3.393 0.048 1.00 0.00 C ATOM 731 O THR A 52 -1.449 3.547 -1.099 1.00 0.00 O ATOM 732 CB THR A 52 -0.241 1.722 0.928 1.00 0.00 C ATOM 733 OG1 THR A 52 -0.088 0.520 1.694 1.00 0.00 O ATOM 734 CG2 THR A 52 0.488 2.864 1.619 1.00 0.00 C ATOM 0 H THR A 52 -2.380 1.087 -0.990 1.00 0.00 H new ATOM 0 HA THR A 52 -2.202 2.112 1.740 1.00 0.00 H new ATOM 0 HB THR A 52 0.193 1.581 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.912 0.344 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.542 2.609 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.394 3.770 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.051 3.032 2.603 1.00 0.00 H new ATOM 742 N LEU A 53 -2.461 4.363 0.737 1.00 0.00 N ATOM 743 CA LEU A 53 -2.652 5.694 0.175 1.00 0.00 C ATOM 744 C LEU A 53 -1.537 6.637 0.616 1.00 0.00 C ATOM 745 O LEU A 53 -0.980 6.488 1.703 1.00 0.00 O ATOM 746 CB LEU A 53 -4.009 6.260 0.596 1.00 0.00 C ATOM 747 CG LEU A 53 -4.200 7.765 0.403 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.644 8.067 -1.020 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.207 8.307 1.406 1.00 0.00 C ATOM 0 H LEU A 53 -2.816 4.252 1.687 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.623 5.608 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.786 5.741 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.166 6.027 1.649 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.244 8.260 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.775 9.142 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.887 7.714 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.589 7.562 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.331 9.379 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.166 7.808 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.847 8.123 2.418 1.00 0.00 H new ATOM 761 N SER A 54 -1.218 7.608 -0.234 1.00 0.00 N ATOM 762 CA SER A 54 -0.167 8.574 0.068 1.00 0.00 C ATOM 763 C SER A 54 -0.375 9.865 -0.719 1.00 0.00 C ATOM 764 O SER A 54 -1.146 9.903 -1.678 1.00 0.00 O ATOM 765 CB SER A 54 1.206 7.983 -0.253 1.00 0.00 C ATOM 766 OG SER A 54 1.564 6.985 0.688 1.00 0.00 O ATOM 0 H SER A 54 -1.672 7.747 -1.137 1.00 0.00 H new ATOM 0 HA SER A 54 -0.214 8.805 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.196 7.555 -1.256 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.956 8.774 -0.252 1.00 0.00 H new ATOM 0 HG SER A 54 2.539 6.959 0.782 1.00 0.00 H new ATOM 772 N TYR A 55 0.320 10.919 -0.307 1.00 0.00 N ATOM 773 CA TYR A 55 0.212 12.213 -0.971 1.00 0.00 C ATOM 774 C TYR A 55 1.213 13.208 -0.391 1.00 0.00 C ATOM 775 O TYR A 55 1.597 13.113 0.774 1.00 0.00 O ATOM 776 CB TYR A 55 -1.209 12.762 -0.833 1.00 0.00 C ATOM 777 CG TYR A 55 -1.602 13.075 0.594 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.195 14.255 1.205 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.380 12.190 1.330 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.550 14.544 2.508 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.741 12.473 2.633 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.324 13.650 3.218 1.00 0.00 C ATOM 783 OH TYR A 55 -2.682 13.935 4.516 1.00 0.00 O ATOM 0 H TYR A 55 0.964 10.903 0.484 1.00 0.00 H new ATOM 0 HA TYR A 55 0.439 12.072 -2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.299 13.668 -1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.911 12.036 -1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.591 14.958 0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.708 11.266 0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.223 15.465 2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.347 11.775 3.191 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.535 14.418 4.522 1.00 0.00 H new ATOM 793 N LYS A 56 1.632 14.163 -1.216 1.00 0.00 N ATOM 794 CA LYS A 56 2.586 15.178 -0.788 1.00 0.00 C ATOM 795 C LYS A 56 1.973 16.091 0.269 1.00 0.00 C ATOM 796 O LYS A 56 0.936 16.713 0.039 1.00 0.00 O ATOM 797 CB LYS A 56 3.051 16.008 -1.986 1.00 0.00 C ATOM 798 CG LYS A 56 4.409 16.660 -1.786 1.00 0.00 C ATOM 799 CD LYS A 56 5.541 15.716 -2.155 1.00 0.00 C ATOM 800 CE LYS A 56 6.833 16.091 -1.445 1.00 0.00 C ATOM 801 NZ LYS A 56 7.706 14.906 -1.219 1.00 0.00 N ATOM 0 H LYS A 56 1.325 14.254 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 56 3.445 14.670 -0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.091 15.367 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.312 16.783 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.474 17.562 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.516 16.969 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.264 14.695 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.698 15.738 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.371 16.831 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.599 16.558 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.462 15.154 -0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.139 14.127 -0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.128 14.608 -2.122 1.00 0.00 H new ATOM 815 N ALA A 57 2.621 16.169 1.427 1.00 0.00 N ATOM 816 CA ALA A 57 2.141 17.009 2.516 1.00 0.00 C ATOM 817 C ALA A 57 3.124 18.135 2.815 1.00 0.00 C ATOM 818 O ALA A 57 4.337 17.954 2.717 1.00 0.00 O ATOM 819 CB ALA A 57 1.902 16.170 3.764 1.00 0.00 C ATOM 0 H ALA A 57 3.480 15.660 1.634 1.00 0.00 H new ATOM 0 HA ALA A 57 1.197 17.458 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.544 16.810 4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.156 15.404 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.835 15.694 4.067 1.00 0.00 H new ATOM 825 N GLN A 58 2.592 19.298 3.179 1.00 0.00 N ATOM 826 CA GLN A 58 3.424 20.454 3.491 1.00 0.00 C ATOM 827 C GLN A 58 4.699 20.029 4.210 1.00 0.00 C ATOM 828 O GLN A 58 5.795 20.475 3.869 1.00 0.00 O ATOM 829 CB GLN A 58 2.646 21.451 4.352 1.00 0.00 C ATOM 830 CG GLN A 58 1.871 22.479 3.543 1.00 0.00 C ATOM 831 CD GLN A 58 2.771 23.524 2.913 1.00 0.00 C ATOM 832 OE1 GLN A 58 3.946 23.642 3.263 1.00 0.00 O ATOM 833 NE2 GLN A 58 2.223 24.290 1.977 1.00 0.00 N ATOM 0 H GLN A 58 1.589 19.464 3.265 1.00 0.00 H new ATOM 0 HA GLN A 58 3.701 20.934 2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.951 20.904 4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.342 21.970 5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.308 21.971 2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.145 22.972 4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.245 24.158 1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.780 25.011 1.517 1.00 0.00 H new ATOM 842 N SER A 59 4.549 19.164 5.209 1.00 0.00 N ATOM 843 CA SER A 59 5.690 18.682 5.979 1.00 0.00 C ATOM 844 C SER A 59 6.526 17.705 5.158 1.00 0.00 C ATOM 845 O SER A 59 7.683 17.979 4.837 1.00 0.00 O ATOM 846 CB SER A 59 5.213 18.005 7.266 1.00 0.00 C ATOM 847 OG SER A 59 4.275 16.981 6.986 1.00 0.00 O ATOM 0 H SER A 59 3.650 18.783 5.504 1.00 0.00 H new ATOM 0 HA SER A 59 6.312 19.539 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.067 17.585 7.798 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.761 18.747 7.925 1.00 0.00 H new ATOM 0 HG SER A 59 3.987 16.563 7.824 1.00 0.00 H new ATOM 853 N SER A 60 5.934 16.564 4.822 1.00 0.00 N ATOM 854 CA SER A 60 6.624 15.543 4.042 1.00 0.00 C ATOM 855 C SER A 60 5.658 14.445 3.609 1.00 0.00 C ATOM 856 O SER A 60 4.576 14.295 4.176 1.00 0.00 O ATOM 857 CB SER A 60 7.770 14.938 4.856 1.00 0.00 C ATOM 858 OG SER A 60 8.973 15.661 4.656 1.00 0.00 O ATOM 0 H SER A 60 4.977 16.323 5.078 1.00 0.00 H new ATOM 0 HA SER A 60 7.032 16.017 3.149 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.511 14.943 5.915 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.915 13.897 4.568 1.00 0.00 H new ATOM 0 HG SER A 60 8.786 16.622 4.690 1.00 0.00 H new ATOM 864 N CYS A 61 6.058 13.680 2.598 1.00 0.00 N ATOM 865 CA CYS A 61 5.228 12.596 2.087 1.00 0.00 C ATOM 866 C CYS A 61 4.706 11.726 3.225 1.00 0.00 C ATOM 867 O CYS A 61 5.401 11.503 4.218 1.00 0.00 O ATOM 868 CB CYS A 61 6.023 11.740 1.098 1.00 0.00 C ATOM 869 SG CYS A 61 5.923 12.307 -0.616 1.00 0.00 S ATOM 0 H CYS A 61 6.951 13.791 2.117 1.00 0.00 H new ATOM 0 HA CYS A 61 4.375 13.037 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.069 11.727 1.405 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.662 10.713 1.151 1.00 0.00 H new ATOM 0 HG CYS A 61 7.117 12.355 -1.128 1.00 0.00 H new ATOM 875 N CYS A 62 3.479 11.239 3.076 1.00 0.00 N ATOM 876 CA CYS A 62 2.862 10.395 4.094 1.00 0.00 C ATOM 877 C CYS A 62 2.494 9.031 3.519 1.00 0.00 C ATOM 878 O CYS A 62 2.448 8.885 2.299 1.00 0.00 O ATOM 879 CB CYS A 62 1.617 11.076 4.664 1.00 0.00 C ATOM 880 SG CYS A 62 1.220 10.587 6.359 1.00 0.00 S ATOM 0 H CYS A 62 2.892 11.414 2.261 1.00 0.00 H new ATOM 0 HA CYS A 62 3.585 10.247 4.896 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.760 12.156 4.633 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.766 10.849 4.023 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.045 10.299 6.443 1.00 0.00 H new ATOM 886 N HIS A 63 2.243 8.074 4.400 1.00 0.00 N ATOM 887 CA HIS A 63 1.883 6.735 3.968 1.00 0.00 C ATOM 888 C HIS A 63 0.822 6.159 4.907 1.00 0.00 C ATOM 889 O HIS A 63 1.072 5.879 6.081 1.00 0.00 O ATOM 890 CB HIS A 63 3.124 5.847 3.860 1.00 0.00 C ATOM 891 CG HIS A 63 4.119 6.305 2.820 1.00 0.00 C ATOM 892 ND1 HIS A 63 4.037 5.935 1.490 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.217 7.107 2.931 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.045 6.494 0.837 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.776 7.219 1.731 1.00 0.00 N ATOM 0 H HIS A 63 2.282 8.200 5.411 1.00 0.00 H new ATOM 0 HA HIS A 63 1.449 6.777 2.969 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.619 5.812 4.831 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.811 4.830 3.625 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.571 7.572 3.839 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.252 6.393 -0.218 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.614 7.759 1.514 1.00 0.00 H new ATOM 903 N PHE A 64 -0.378 5.988 4.363 1.00 0.00 N ATOM 904 CA PHE A 64 -1.495 5.449 5.129 1.00 0.00 C ATOM 905 C PHE A 64 -1.864 4.051 4.644 1.00 0.00 C ATOM 906 O PHE A 64 -2.007 3.817 3.444 1.00 0.00 O ATOM 907 CB PHE A 64 -2.709 6.376 5.021 1.00 0.00 C ATOM 908 CG PHE A 64 -2.361 7.834 5.117 1.00 0.00 C ATOM 909 CD1 PHE A 64 -1.909 8.527 4.006 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.485 8.511 6.320 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.588 9.869 4.091 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.166 9.853 6.411 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.716 10.532 5.296 1.00 0.00 C ATOM 0 H PHE A 64 -0.602 6.215 3.394 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.188 5.382 6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.213 6.193 4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.417 6.127 5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.806 8.013 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.835 7.984 7.196 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.238 10.398 3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.269 10.370 7.354 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.464 11.580 5.366 1.00 0.00 H new ATOM 923 N MET A 65 -2.016 3.126 5.585 1.00 0.00 N ATOM 924 CA MET A 65 -2.368 1.750 5.254 1.00 0.00 C ATOM 925 C MET A 65 -3.882 1.582 5.166 1.00 0.00 C ATOM 926 O MET A 65 -4.627 2.144 5.969 1.00 0.00 O ATOM 927 CB MET A 65 -1.798 0.788 6.299 1.00 0.00 C ATOM 928 CG MET A 65 -2.533 0.830 7.628 1.00 0.00 C ATOM 929 SD MET A 65 -2.173 -0.599 8.667 1.00 0.00 S ATOM 930 CE MET A 65 -3.124 -1.870 7.836 1.00 0.00 C ATOM 0 H MET A 65 -1.901 3.304 6.583 1.00 0.00 H new ATOM 0 HA MET A 65 -1.936 1.516 4.281 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.835 -0.227 5.905 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.748 1.027 6.466 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.259 1.740 8.161 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.606 0.879 7.444 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.724 -2.412 8.567 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.780 -1.409 7.098 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.447 -2.563 7.337 1.00 0.00 H new ATOM 940 N VAL A 66 -4.331 0.807 4.183 1.00 0.00 N ATOM 941 CA VAL A 66 -5.755 0.565 3.990 1.00 0.00 C ATOM 942 C VAL A 66 -6.073 -0.925 4.046 1.00 0.00 C ATOM 943 O VAL A 66 -5.562 -1.710 3.247 1.00 0.00 O ATOM 944 CB VAL A 66 -6.244 1.133 2.644 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.723 0.839 2.445 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.974 2.628 2.568 1.00 0.00 C ATOM 0 H VAL A 66 -3.728 0.336 3.508 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.275 1.075 4.801 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.691 0.645 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.050 1.248 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.884 -0.239 2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.297 1.297 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.326 3.013 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.499 3.134 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.903 2.810 2.661 1.00 0.00 H new ATOM 956 N LYS A 67 -6.921 -1.308 4.994 1.00 0.00 N ATOM 957 CA LYS A 67 -7.309 -2.705 5.156 1.00 0.00 C ATOM 958 C LYS A 67 -8.588 -3.006 4.380 1.00 0.00 C ATOM 959 O LYS A 67 -9.216 -2.104 3.823 1.00 0.00 O ATOM 960 CB LYS A 67 -7.508 -3.032 6.636 1.00 0.00 C ATOM 961 CG LYS A 67 -6.357 -2.585 7.520 1.00 0.00 C ATOM 962 CD LYS A 67 -6.715 -2.674 8.993 1.00 0.00 C ATOM 963 CE LYS A 67 -7.600 -1.513 9.423 1.00 0.00 C ATOM 964 NZ LYS A 67 -8.190 -1.735 10.772 1.00 0.00 N ATOM 0 H LYS A 67 -7.353 -0.670 5.663 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.508 -3.328 4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.426 -2.559 6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.643 -4.108 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.482 -3.204 7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.085 -1.559 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.228 -3.616 9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.803 -2.679 9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.015 -0.593 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.400 -1.377 8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.786 -0.922 11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.769 -2.599 10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.427 -1.839 11.471 1.00 0.00 H new ATOM 978 N LEU A 68 -8.971 -4.277 4.350 1.00 0.00 N ATOM 979 CA LEU A 68 -10.176 -4.698 3.644 1.00 0.00 C ATOM 980 C LEU A 68 -11.197 -5.286 4.613 1.00 0.00 C ATOM 981 O LEU A 68 -11.097 -6.450 5.005 1.00 0.00 O ATOM 982 CB LEU A 68 -9.828 -5.725 2.566 1.00 0.00 C ATOM 983 CG LEU A 68 -10.846 -5.883 1.436 1.00 0.00 C ATOM 984 CD1 LEU A 68 -10.392 -6.953 0.455 1.00 0.00 C ATOM 985 CD2 LEU A 68 -12.219 -6.218 1.998 1.00 0.00 C ATOM 0 H LEU A 68 -8.464 -5.035 4.807 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.615 -3.820 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.868 -5.451 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.694 -6.695 3.046 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.917 -4.936 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.129 -7.052 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.430 -6.670 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.291 -7.905 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.931 -6.327 1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.165 -7.151 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.547 -5.416 2.660 1.00 0.00 H new ATOM 997 N LEU A 69 -12.178 -4.477 4.994 1.00 0.00 N ATOM 998 CA LEU A 69 -13.220 -4.918 5.916 1.00 0.00 C ATOM 999 C LEU A 69 -13.846 -6.227 5.443 1.00 0.00 C ATOM 1000 O LEU A 69 -13.432 -6.795 4.433 1.00 0.00 O ATOM 1001 CB LEU A 69 -14.299 -3.842 6.049 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.863 -2.533 6.709 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.961 -2.810 7.901 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -13.158 -1.638 5.701 1.00 0.00 C ATOM 0 H LEU A 69 -12.275 -3.512 4.679 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.762 -5.087 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.682 -3.614 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.128 -4.256 6.622 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.753 -2.015 7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.661 -1.867 8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.500 -3.412 8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.075 -3.350 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.855 -0.711 6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.277 -2.150 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.837 -1.411 4.879 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.846 -6.697 6.180 1.00 0.00 N ATOM 1017 CA ASP A 70 -15.532 -7.937 5.836 1.00 0.00 C ATOM 1018 C ASP A 70 -16.756 -7.658 4.970 1.00 0.00 C ATOM 1019 O ASP A 70 -17.232 -8.535 4.248 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.949 -8.684 7.103 1.00 0.00 C ATOM 1021 CG ASP A 70 -14.881 -9.649 7.584 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -14.237 -10.293 6.730 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -14.691 -9.758 8.813 1.00 0.00 O ATOM 0 H ASP A 70 -15.200 -6.238 7.019 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.841 -8.560 5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.165 -7.963 7.892 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.871 -9.233 6.911 1.00 0.00 H new ATOM 1028 N ASP A 71 -17.263 -6.432 5.048 1.00 0.00 N ATOM 1029 CA ASP A 71 -18.432 -6.037 4.271 1.00 0.00 C ATOM 1030 C ASP A 71 -18.042 -5.696 2.836 1.00 0.00 C ATOM 1031 O ASP A 71 -18.856 -5.190 2.065 1.00 0.00 O ATOM 1032 CB ASP A 71 -19.123 -4.839 4.923 1.00 0.00 C ATOM 1033 CG ASP A 71 -18.164 -3.699 5.202 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -16.991 -3.976 5.528 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -18.586 -2.528 5.097 1.00 0.00 O ATOM 0 H ASP A 71 -16.883 -5.695 5.642 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.124 -6.879 4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.923 -4.486 4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.588 -5.155 5.857 1.00 0.00 H new ATOM 1040 N GLY A 72 -16.790 -5.975 2.487 1.00 0.00 N ATOM 1041 CA GLY A 72 -16.313 -5.690 1.146 1.00 0.00 C ATOM 1042 C GLY A 72 -16.002 -4.220 0.942 1.00 0.00 C ATOM 1043 O GLY A 72 -16.434 -3.616 -0.041 1.00 0.00 O ATOM 0 H GLY A 72 -16.098 -6.393 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -15.417 -6.279 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -17.065 -6.003 0.422 1.00 0.00 H new ATOM 1047 N THR A 73 -15.250 -3.641 1.873 1.00 0.00 N ATOM 1048 CA THR A 73 -14.883 -2.233 1.793 1.00 0.00 C ATOM 1049 C THR A 73 -13.460 -2.006 2.289 1.00 0.00 C ATOM 1050 O THR A 73 -12.868 -2.877 2.926 1.00 0.00 O ATOM 1051 CB THR A 73 -15.847 -1.354 2.611 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.778 -1.711 3.997 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.276 -1.508 2.113 1.00 0.00 C ATOM 0 H THR A 73 -14.883 -4.126 2.692 1.00 0.00 H new ATOM 0 HA THR A 73 -14.947 -1.949 0.743 1.00 0.00 H new ATOM 0 HB THR A 73 -15.547 -0.313 2.488 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.393 -1.147 4.511 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.938 -0.877 2.706 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.331 -1.208 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.584 -2.549 2.209 1.00 0.00 H new ATOM 1061 N PHE A 74 -12.916 -0.831 1.995 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.560 -0.489 2.412 1.00 0.00 C ATOM 1063 C PHE A 74 -11.543 0.833 3.175 1.00 0.00 C ATOM 1064 O PHE A 74 -11.911 1.877 2.637 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.637 -0.401 1.195 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.890 -1.472 0.172 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -11.978 -1.388 -0.682 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -10.041 -2.560 0.065 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -12.213 -2.371 -1.626 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -10.271 -3.547 -0.876 1.00 0.00 C ATOM 1071 CZ PHE A 74 -11.359 -3.452 -1.722 1.00 0.00 C ATOM 0 H PHE A 74 -13.393 -0.098 1.469 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.201 -1.276 3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.760 0.575 0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.601 -0.466 1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.650 -0.546 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.189 -2.639 0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.063 -2.293 -2.287 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.601 -4.391 -0.949 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.541 -4.222 -2.457 1.00 0.00 H new ATOM 1081 N MET A 75 -11.112 0.778 4.430 1.00 0.00 N ATOM 1082 CA MET A 75 -11.046 1.971 5.266 1.00 0.00 C ATOM 1083 C MET A 75 -9.690 2.075 5.959 1.00 0.00 C ATOM 1084 O MET A 75 -8.960 1.089 6.064 1.00 0.00 O ATOM 1085 CB MET A 75 -12.164 1.951 6.311 1.00 0.00 C ATOM 1086 CG MET A 75 -11.769 1.274 7.612 1.00 0.00 C ATOM 1087 SD MET A 75 -13.025 1.444 8.894 1.00 0.00 S ATOM 1088 CE MET A 75 -12.899 3.192 9.261 1.00 0.00 C ATOM 0 H MET A 75 -10.804 -0.078 4.890 1.00 0.00 H new ATOM 0 HA MET A 75 -11.175 2.842 4.623 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.470 2.975 6.523 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.031 1.439 5.893 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.587 0.216 7.425 1.00 0.00 H new ATOM 0 HG3 MET A 75 -10.831 1.701 7.969 1.00 0.00 H new ATOM 0 HE1 MET A 75 -12.756 3.329 10.333 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.050 3.616 8.725 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.814 3.696 8.949 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.361 3.272 6.429 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.094 3.503 7.113 1.00 0.00 C ATOM 1100 C ILE A 76 -8.252 3.375 8.623 1.00 0.00 C ATOM 1101 O ILE A 76 -9.230 3.838 9.212 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.522 4.894 6.784 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.265 5.022 5.280 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.242 5.140 7.568 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.370 6.442 4.767 1.00 0.00 C ATOM 0 H ILE A 76 -9.954 4.098 6.349 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.401 2.741 6.757 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.253 5.648 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.271 4.636 5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.979 4.397 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.850 6.127 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.454 5.087 8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.504 4.382 7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.176 6.457 3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.372 6.825 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.638 7.068 5.277 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.268 2.733 9.269 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.273 2.530 10.721 1.00 0.00 C ATOM 1119 C PRO A 77 -7.060 3.832 11.488 1.00 0.00 C ATOM 1120 O PRO A 77 -5.936 4.173 11.850 1.00 0.00 O ATOM 1121 CB PRO A 77 -6.099 1.576 10.950 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.186 1.813 9.797 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.073 2.154 8.631 1.00 0.00 C ATOM 0 HA PRO A 77 -8.228 2.144 11.076 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.601 1.782 11.898 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.433 0.539 10.984 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.491 2.625 10.010 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.586 0.928 9.586 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.594 2.863 7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.320 1.271 8.042 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.149 4.553 11.733 1.00 0.00 N ATOM 1132 CA GLY A 78 -8.061 5.809 12.457 1.00 0.00 C ATOM 1133 C GLY A 78 -9.241 6.719 12.185 1.00 0.00 C ATOM 1134 O GLY A 78 -9.483 7.670 12.928 1.00 0.00 O ATOM 0 H GLY A 78 -9.091 4.291 11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.002 5.605 13.526 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.140 6.321 12.179 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.978 6.429 11.118 1.00 0.00 N ATOM 1139 CA GLU A 79 -11.140 7.231 10.750 1.00 0.00 C ATOM 1140 C GLU A 79 -12.427 6.589 11.257 1.00 0.00 C ATOM 1141 O GLU A 79 -12.400 5.539 11.900 1.00 0.00 O ATOM 1142 CB GLU A 79 -11.207 7.404 9.231 1.00 0.00 C ATOM 1143 CG GLU A 79 -10.250 8.454 8.694 1.00 0.00 C ATOM 1144 CD GLU A 79 -10.828 9.856 8.755 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -11.999 10.031 8.363 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -10.108 10.776 9.196 1.00 0.00 O ATOM 0 H GLU A 79 -9.792 5.645 10.493 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.036 8.211 11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.988 6.448 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.225 7.674 8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.323 8.422 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.996 8.214 7.662 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.554 7.230 10.966 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.854 6.723 11.391 1.00 0.00 C ATOM 1155 C LYS A 80 -15.752 6.450 10.188 1.00 0.00 C ATOM 1156 O LYS A 80 -16.974 6.384 10.316 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.531 7.723 12.330 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.878 7.812 13.698 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.664 8.726 13.678 1.00 0.00 C ATOM 1160 CE LYS A 80 -14.071 10.189 13.573 1.00 0.00 C ATOM 1161 NZ LYS A 80 -14.144 10.643 12.157 1.00 0.00 N ATOM 0 H LYS A 80 -13.594 8.102 10.438 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.694 5.785 11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.519 8.709 11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.577 7.442 12.454 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.602 8.182 14.424 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.579 6.816 14.025 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.078 8.574 14.584 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.023 8.464 12.836 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.040 10.332 14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.354 10.805 14.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.680 11.569 12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.663 9.953 11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.140 10.725 11.870 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.137 6.291 9.021 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.881 6.023 7.796 1.00 0.00 C ATOM 1177 C VAL A 81 -15.069 5.159 6.837 1.00 0.00 C ATOM 1178 O VAL A 81 -13.838 5.189 6.849 1.00 0.00 O ATOM 1179 CB VAL A 81 -16.276 7.329 7.081 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.515 7.934 7.723 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -15.120 8.317 7.100 1.00 0.00 C ATOM 0 H VAL A 81 -14.126 6.343 8.898 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.785 5.488 8.087 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.510 7.098 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.780 8.856 7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.343 7.228 7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.312 8.152 8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.417 9.234 6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.853 8.545 8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.260 7.881 6.591 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.765 4.390 6.008 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.109 3.518 5.040 1.00 0.00 C ATOM 1193 C ALA A 82 -15.577 3.821 3.621 1.00 0.00 C ATOM 1194 O ALA A 82 -16.351 4.754 3.399 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.369 2.059 5.383 1.00 0.00 C ATOM 0 H ALA A 82 -16.784 4.352 5.986 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.036 3.706 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.874 1.420 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.978 1.844 6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.442 1.867 5.365 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.103 3.030 2.665 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.474 3.215 1.266 1.00 0.00 C ATOM 1203 C HIS A 83 -15.495 1.879 0.529 1.00 0.00 C ATOM 1204 O HIS A 83 -14.715 0.977 0.834 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.501 4.174 0.581 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.007 5.268 1.477 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -12.884 5.359 2.227 1.00 0.00 N flip ATOM 1208 CD2 HIS A 83 -14.698 6.444 1.680 1.00 0.00 C flip ATOM 1209 CE1 HIS A 83 -12.916 6.575 2.862 1.00 0.00 C flip ATOM 1210 NE2 HIS A 83 -14.020 7.211 2.515 1.00 0.00 N flip ATOM 0 H HIS A 83 -14.461 2.255 2.832 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.476 3.643 1.234 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.647 3.608 0.208 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.991 4.619 -0.285 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -15.645 6.698 1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.161 6.951 3.536 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.301 8.137 2.837 1.00 0.00 H new ATOM 1218 N THR A 84 -16.395 1.759 -0.444 1.00 0.00 N ATOM 1219 CA THR A 84 -16.518 0.534 -1.223 1.00 0.00 C ATOM 1220 C THR A 84 -15.176 0.122 -1.817 1.00 0.00 C ATOM 1221 O THR A 84 -14.743 -1.020 -1.663 1.00 0.00 O ATOM 1222 CB THR A 84 -17.543 0.694 -2.362 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.220 1.842 -3.154 1.00 0.00 O ATOM 1224 CG2 THR A 84 -18.952 0.834 -1.806 1.00 0.00 C ATOM 0 H THR A 84 -17.048 2.496 -0.710 1.00 0.00 H new ATOM 0 HA THR A 84 -16.863 -0.242 -0.539 1.00 0.00 H new ATOM 0 HB THR A 84 -17.503 -0.199 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 84 -17.875 1.936 -3.877 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.658 0.946 -2.629 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.205 -0.055 -1.228 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.003 1.712 -1.162 1.00 0.00 H new ATOM 1232 N SER A 85 -14.521 1.059 -2.495 1.00 0.00 N ATOM 1233 CA SER A 85 -13.228 0.792 -3.114 1.00 0.00 C ATOM 1234 C SER A 85 -12.358 2.045 -3.118 1.00 0.00 C ATOM 1235 O SER A 85 -12.848 3.156 -2.905 1.00 0.00 O ATOM 1236 CB SER A 85 -13.419 0.286 -4.545 1.00 0.00 C ATOM 1237 OG SER A 85 -13.830 -1.070 -4.555 1.00 0.00 O ATOM 0 H SER A 85 -14.865 2.010 -2.630 1.00 0.00 H new ATOM 0 HA SER A 85 -12.724 0.023 -2.528 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.163 0.899 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.486 0.391 -5.099 1.00 0.00 H new ATOM 0 HG SER A 85 -14.065 -1.347 -3.645 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.065 1.859 -3.360 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.125 2.974 -3.392 1.00 0.00 C ATOM 1245 C LEU A 86 -10.748 4.193 -4.065 1.00 0.00 C ATOM 1246 O LEU A 86 -10.610 5.318 -3.584 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.847 2.568 -4.129 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.183 1.274 -3.659 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -6.990 0.936 -4.539 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -7.757 1.393 -2.202 1.00 0.00 C ATOM 0 H LEU A 86 -10.644 0.947 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.877 3.237 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.079 2.469 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.124 3.379 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.909 0.465 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.530 0.012 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.322 0.809 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.261 1.745 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.286 0.463 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.048 2.214 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.632 1.588 -1.582 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.436 3.961 -5.178 1.00 0.00 N ATOM 1263 CA ASP A 87 -12.084 5.040 -5.915 1.00 0.00 C ATOM 1264 C ASP A 87 -12.944 5.893 -4.987 1.00 0.00 C ATOM 1265 O ASP A 87 -12.700 7.088 -4.822 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.941 4.471 -7.046 1.00 0.00 C ATOM 1267 CG ASP A 87 -13.617 5.555 -7.862 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -14.514 6.234 -7.319 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -13.250 5.724 -9.044 1.00 0.00 O ATOM 0 H ASP A 87 -11.559 3.036 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.306 5.673 -6.343 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.316 3.864 -7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.699 3.810 -6.626 1.00 0.00 H new ATOM 1274 N ALA A 88 -13.951 5.269 -4.384 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.847 5.970 -3.472 1.00 0.00 C ATOM 1276 C ALA A 88 -14.121 6.376 -2.194 1.00 0.00 C ATOM 1277 O ALA A 88 -14.688 7.053 -1.335 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.052 5.101 -3.145 1.00 0.00 C ATOM 0 H ALA A 88 -14.167 4.280 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.192 6.878 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.713 5.637 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.591 4.866 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.717 4.177 -2.674 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.865 5.960 -2.074 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.061 6.281 -0.901 1.00 0.00 C ATOM 1286 C LEU A 89 -11.133 7.457 -1.181 1.00 0.00 C ATOM 1287 O LEU A 89 -10.725 8.172 -0.265 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.244 5.062 -0.469 1.00 0.00 C ATOM 1289 CG LEU A 89 -9.893 5.357 0.184 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.424 4.162 1.001 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -8.861 5.723 -0.871 1.00 0.00 C ATOM 0 H LEU A 89 -12.381 5.399 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.737 6.562 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.843 4.477 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.073 4.435 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.012 6.206 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.461 4.389 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.154 3.945 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.320 3.294 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.906 5.930 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.744 4.894 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.193 6.608 -1.413 1.00 0.00 H new ATOM 1303 N VAL A 90 -10.803 7.653 -2.453 1.00 0.00 N ATOM 1304 CA VAL A 90 -9.924 8.745 -2.856 1.00 0.00 C ATOM 1305 C VAL A 90 -10.680 10.069 -2.909 1.00 0.00 C ATOM 1306 O VAL A 90 -10.147 11.117 -2.543 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.287 8.475 -4.232 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.435 9.658 -4.668 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.462 7.198 -4.195 1.00 0.00 C ATOM 0 H VAL A 90 -11.131 7.070 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.136 8.810 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.085 8.344 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.993 9.449 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.058 10.550 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.642 9.824 -3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.019 7.022 -5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.671 7.297 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.104 6.358 -3.931 1.00 0.00 H new ATOM 1319 N THR A 91 -11.927 10.013 -3.367 1.00 0.00 N ATOM 1320 CA THR A 91 -12.757 11.207 -3.469 1.00 0.00 C ATOM 1321 C THR A 91 -13.109 11.751 -2.089 1.00 0.00 C ATOM 1322 O THR A 91 -12.888 12.926 -1.799 1.00 0.00 O ATOM 1323 CB THR A 91 -14.058 10.922 -4.243 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.754 10.549 -5.591 1.00 0.00 O ATOM 1325 CG2 THR A 91 -14.968 12.141 -4.241 1.00 0.00 C ATOM 0 H THR A 91 -12.384 9.154 -3.673 1.00 0.00 H new ATOM 0 HA THR A 91 -12.175 11.951 -4.013 1.00 0.00 H new ATOM 0 HB THR A 91 -14.577 10.101 -3.748 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.586 10.368 -6.076 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.880 11.915 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.222 12.404 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.455 12.979 -4.714 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.659 10.888 -1.240 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.043 11.283 0.110 1.00 0.00 C ATOM 1335 C PHE A 92 -12.866 11.920 0.845 1.00 0.00 C ATOM 1336 O PHE A 92 -13.053 12.755 1.732 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.552 10.071 0.893 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.232 10.434 2.183 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.491 10.816 3.289 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.613 10.392 2.288 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.114 11.150 4.477 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.242 10.725 3.473 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.491 11.104 4.569 1.00 0.00 C ATOM 0 H PHE A 92 -13.848 9.911 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.843 12.019 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.249 9.512 0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.713 9.408 1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.414 10.853 3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.205 10.096 1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.525 11.447 5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.319 10.689 3.542 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.980 11.364 5.496 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.656 11.520 0.471 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.449 12.051 1.093 1.00 0.00 C ATOM 1355 C HIS A 93 -10.230 13.508 0.699 1.00 0.00 C ATOM 1356 O HIS A 93 -9.776 14.317 1.507 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.233 11.213 0.694 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.069 9.969 1.510 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.460 9.876 2.829 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.553 8.760 1.186 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.191 8.665 3.283 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.640 7.967 2.304 1.00 0.00 N ATOM 0 H HIS A 93 -11.485 10.830 -0.260 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.576 12.001 2.174 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.320 10.939 -0.357 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.334 11.822 0.791 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -9.890 10.626 3.370 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.148 8.473 0.227 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.387 8.306 4.283 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.554 13.834 -0.548 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.391 15.193 -1.050 1.00 0.00 C ATOM 1372 C GLN A 94 -11.200 16.181 -0.215 1.00 0.00 C ATOM 1373 O GLN A 94 -10.984 17.391 -0.289 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.820 15.274 -2.515 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.750 14.808 -3.489 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.315 14.454 -4.851 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -10.867 13.370 -5.044 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -10.178 15.368 -5.805 1.00 0.00 N ATOM 0 H GLN A 94 -10.931 13.175 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.336 15.458 -0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.716 14.670 -2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -11.089 16.304 -2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.001 15.592 -3.603 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.240 13.938 -3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.714 16.253 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.537 15.185 -6.742 1.00 0.00 H new ATOM 1387 N GLN A 95 -12.131 15.658 0.576 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.972 16.495 1.423 1.00 0.00 C ATOM 1389 C GLN A 95 -12.704 16.220 2.899 1.00 0.00 C ATOM 1390 O GLN A 95 -12.868 17.098 3.746 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.449 16.255 1.108 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.769 16.300 -0.378 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.256 16.406 -0.652 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.922 17.327 -0.178 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.786 15.461 -1.420 1.00 0.00 N ATOM 0 H GLN A 95 -12.322 14.659 0.648 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.728 17.537 1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.744 15.284 1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -15.049 17.005 1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.259 17.151 -0.830 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.378 15.402 -0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -16.197 14.716 -1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.782 15.480 -1.638 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.289 14.994 3.201 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.996 14.602 4.575 1.00 0.00 C ATOM 1406 C LYS A 96 -10.566 14.086 4.700 1.00 0.00 C ATOM 1407 O LYS A 96 -10.186 13.084 4.092 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.980 13.526 5.040 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.247 14.089 5.660 1.00 0.00 C ATOM 1410 CD LYS A 96 -14.061 14.384 7.139 1.00 0.00 C ATOM 1411 CE LYS A 96 -13.642 13.140 7.908 1.00 0.00 C ATOM 1412 NZ LYS A 96 -12.162 13.032 8.027 1.00 0.00 N ATOM 0 H LYS A 96 -12.148 14.255 2.513 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.103 15.482 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.249 12.899 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.485 12.882 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.533 15.003 5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.064 13.379 5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.307 15.161 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.991 14.773 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.085 13.162 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.031 12.255 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.859 12.081 7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.712 13.742 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.880 13.198 9.014 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.754 14.783 5.508 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.354 14.411 5.735 1.00 0.00 C ATOM 1428 C PRO A 97 -8.218 13.127 6.543 1.00 0.00 C ATOM 1429 O PRO A 97 -9.193 12.401 6.742 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.795 15.600 6.521 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.979 16.198 7.198 1.00 0.00 C ATOM 1432 CD PRO A 97 -10.140 15.986 6.266 1.00 0.00 C ATOM 0 HA PRO A 97 -7.828 14.214 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.046 15.279 7.245 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.312 16.319 5.860 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.160 15.721 8.161 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.823 17.259 7.392 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.071 15.835 6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.290 16.843 5.610 1.00 0.00 H new ATOM 1440 N ILE A 98 -7.004 12.850 7.009 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.742 11.653 7.796 1.00 0.00 C ATOM 1442 C ILE A 98 -6.656 11.982 9.282 1.00 0.00 C ATOM 1443 O ILE A 98 -6.081 12.997 9.672 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.435 10.965 7.358 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.202 11.172 5.861 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.481 9.481 7.692 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.322 10.638 4.994 1.00 0.00 C ATOM 0 H ILE A 98 -6.186 13.440 6.854 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.576 10.973 7.623 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.604 11.415 7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.078 12.237 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.269 10.685 5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.551 9.008 7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.607 9.354 8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.319 9.017 7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.088 10.820 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.432 9.566 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.253 11.143 5.251 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.231 11.113 10.110 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.218 11.312 11.555 1.00 0.00 C ATOM 1461 C GLU A 99 -5.917 11.972 12.001 1.00 0.00 C ATOM 1462 O GLU A 99 -5.911 13.046 12.601 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.399 9.975 12.277 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.687 9.906 13.618 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.165 8.749 14.473 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.279 8.843 15.030 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.425 7.749 14.585 1.00 0.00 O ATOM 0 H GLU A 99 -7.711 10.266 9.805 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.047 11.971 11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.463 9.796 12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.030 9.173 11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.614 9.811 13.451 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.844 10.840 14.157 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.787 11.312 11.703 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.458 11.816 12.065 1.00 0.00 C ATOM 1476 C PRO A 100 -3.068 13.050 11.259 1.00 0.00 C ATOM 1477 O PRO A 100 -2.657 14.066 11.822 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.533 10.644 11.731 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.257 9.877 10.679 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.719 10.026 10.990 1.00 0.00 C ATOM 0 HA PRO A 100 -3.410 12.131 13.107 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.566 10.994 11.371 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.342 10.028 12.609 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.028 10.265 9.686 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.961 8.828 10.688 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.324 10.037 10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.084 9.205 11.607 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.196 12.955 9.940 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.855 14.064 9.058 1.00 0.00 C ATOM 1490 C ARG A 101 -4.106 14.829 8.638 1.00 0.00 C ATOM 1491 O ARG A 101 -4.984 14.284 7.970 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.119 13.550 7.818 1.00 0.00 C ATOM 1493 CG ARG A 101 -1.066 12.498 8.128 1.00 0.00 C ATOM 1494 CD ARG A 101 0.175 13.119 8.751 1.00 0.00 C ATOM 1495 NE ARG A 101 -0.013 13.414 10.169 1.00 0.00 N ATOM 1496 CZ ARG A 101 0.928 13.947 10.940 1.00 0.00 C ATOM 1497 NH1 ARG A 101 2.116 14.244 10.433 1.00 0.00 N ATOM 1498 NH2 ARG A 101 0.680 14.186 12.222 1.00 0.00 N ATOM 0 H ARG A 101 -3.533 12.121 9.459 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.201 14.743 9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.846 13.131 7.122 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.643 14.391 7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.482 11.754 8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.792 11.975 7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.019 12.440 8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.426 14.037 8.220 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.917 13.199 10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.310 14.063 9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.836 14.653 11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.234 13.960 12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.403 14.595 12.814 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.179 16.096 9.034 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.324 16.936 8.700 1.00 0.00 C ATOM 1514 C ARG A 102 -5.157 17.558 7.316 1.00 0.00 C ATOM 1515 O ARG A 102 -5.848 18.514 6.969 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.499 18.036 9.748 1.00 0.00 C ATOM 1517 CG ARG A 102 -4.353 19.035 9.781 1.00 0.00 C ATOM 1518 CD ARG A 102 -4.576 20.171 8.796 1.00 0.00 C ATOM 1519 NE ARG A 102 -3.928 21.406 9.230 1.00 0.00 N ATOM 1520 CZ ARG A 102 -3.687 22.433 8.423 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -4.039 22.374 7.146 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -3.094 23.523 8.892 1.00 0.00 N ATOM 0 H ARG A 102 -3.460 16.563 9.586 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.214 16.307 8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.429 18.569 9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.598 17.577 10.732 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.251 19.440 10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.418 18.526 9.546 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.191 19.884 7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.646 20.345 8.679 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.645 21.484 10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.496 21.538 6.781 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.853 23.164 6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.822 23.573 9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.910 24.311 8.271 1.00 0.00 H new ATOM 1536 N GLU A 103 -4.234 17.007 6.533 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.976 17.510 5.189 1.00 0.00 C ATOM 1538 C GLU A 103 -4.952 16.902 4.185 1.00 0.00 C ATOM 1539 O GLU A 103 -5.198 15.696 4.193 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.537 17.199 4.772 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.955 18.206 3.795 1.00 0.00 C ATOM 1542 CD GLU A 103 -2.620 18.150 2.433 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -2.340 17.198 1.675 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -3.420 19.058 2.126 1.00 0.00 O ATOM 0 H GLU A 103 -3.654 16.214 6.806 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.118 18.591 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.909 17.165 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.505 16.207 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.062 19.210 4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.887 18.021 3.681 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.503 17.747 3.320 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.451 17.294 2.308 1.00 0.00 C ATOM 1553 C LEU A 104 -5.752 17.052 0.975 1.00 0.00 C ATOM 1554 O LEU A 104 -4.588 17.413 0.798 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.568 18.325 2.132 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.794 18.147 3.028 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.843 19.203 2.713 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.375 16.750 2.865 1.00 0.00 C ATOM 0 H LEU A 104 -5.310 18.748 3.299 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.883 16.352 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.152 19.316 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.896 18.302 1.093 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.484 18.271 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.708 19.061 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.423 20.195 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.150 19.111 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.247 16.641 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.670 16.598 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.625 16.009 3.141 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.469 16.441 0.039 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.918 16.152 -1.280 1.00 0.00 C ATOM 1572 C LEU A 105 -6.334 17.218 -2.289 1.00 0.00 C ATOM 1573 O LEU A 105 -7.242 18.009 -2.035 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.382 14.774 -1.758 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.202 13.625 -0.765 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.595 12.301 -1.404 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.766 13.571 -0.264 1.00 0.00 C ATOM 0 H LEU A 105 -7.434 16.136 0.169 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.831 16.156 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.438 14.839 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.841 14.527 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.857 13.803 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.460 11.495 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.640 12.342 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.967 12.117 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.658 12.747 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.092 13.418 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.518 14.509 0.233 1.00 0.00 H new ATOM 1589 N THR A 106 -5.662 17.233 -3.437 1.00 0.00 N ATOM 1590 CA THR A 106 -5.962 18.200 -4.485 1.00 0.00 C ATOM 1591 C THR A 106 -6.245 17.505 -5.811 1.00 0.00 C ATOM 1592 O THR A 106 -7.316 17.674 -6.393 1.00 0.00 O ATOM 1593 CB THR A 106 -4.801 19.196 -4.678 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.773 18.599 -5.478 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.225 19.622 -3.337 1.00 0.00 C ATOM 0 H THR A 106 -4.907 16.586 -3.664 1.00 0.00 H new ATOM 0 HA THR A 106 -6.851 18.745 -4.167 1.00 0.00 H new ATOM 0 HB THR A 106 -5.189 20.080 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.039 19.238 -5.598 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.407 20.325 -3.499 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.003 20.101 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.851 18.746 -2.807 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.281 16.720 -6.282 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.430 15.999 -7.540 1.00 0.00 C ATOM 1605 C GLN A 107 -4.597 14.721 -7.535 1.00 0.00 C ATOM 1606 O GLN A 107 -3.587 14.611 -6.840 1.00 0.00 O ATOM 1607 CB GLN A 107 -5.014 16.888 -8.713 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.604 17.441 -8.588 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.294 18.492 -9.637 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -2.703 18.193 -10.675 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -3.693 19.730 -9.371 1.00 0.00 N ATOM 0 H GLN A 107 -4.389 16.567 -5.811 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.480 15.727 -7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.090 16.315 -9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.715 17.719 -8.795 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.474 17.874 -7.596 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.888 16.624 -8.675 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.180 19.932 -8.498 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.513 20.479 -10.040 1.00 0.00 H new ATOM 1620 N PRO A 108 -5.031 13.730 -8.328 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.341 12.441 -8.434 1.00 0.00 C ATOM 1622 C PRO A 108 -2.999 12.559 -9.148 1.00 0.00 C ATOM 1623 O PRO A 108 -2.844 13.360 -10.071 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.310 11.585 -9.253 1.00 0.00 C ATOM 1625 CG PRO A 108 -6.103 12.565 -10.047 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.227 13.791 -9.184 1.00 0.00 C ATOM 0 HA PRO A 108 -4.106 12.023 -7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.775 10.891 -9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.952 10.987 -8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.606 12.799 -10.988 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.085 12.162 -10.297 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.247 14.702 -9.782 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.144 13.776 -8.595 1.00 0.00 H new ATOM 1634 N CYS A 109 -2.032 11.756 -8.717 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.702 11.772 -9.316 1.00 0.00 C ATOM 1636 C CYS A 109 -0.666 10.923 -10.584 1.00 0.00 C ATOM 1637 O CYS A 109 -1.538 10.081 -10.803 1.00 0.00 O ATOM 1638 CB CYS A 109 0.336 11.260 -8.317 1.00 0.00 C ATOM 1639 SG CYS A 109 2.048 11.462 -8.862 1.00 0.00 S ATOM 0 H CYS A 109 -2.144 11.086 -7.956 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.463 12.802 -9.582 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.203 11.784 -7.371 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.149 10.203 -8.125 1.00 0.00 H new ATOM 0 HG CYS A 109 2.852 11.201 -7.874 1.00 0.00 H new ATOM 1645 N ARG A 110 0.344 11.152 -11.415 1.00 0.00 N ATOM 1646 CA ARG A 110 0.491 10.411 -12.662 1.00 0.00 C ATOM 1647 C ARG A 110 1.728 9.518 -12.621 1.00 0.00 C ATOM 1648 O ARG A 110 2.744 9.876 -12.027 1.00 0.00 O ATOM 1649 CB ARG A 110 0.583 11.375 -13.846 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.230 12.645 -13.660 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.719 12.381 -13.816 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.163 12.543 -15.199 1.00 0.00 N ATOM 1653 CZ ARG A 110 -2.372 13.724 -15.769 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -2.177 14.840 -15.082 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -2.775 13.789 -17.032 1.00 0.00 N ATOM 0 H ARG A 110 1.073 11.845 -11.248 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.388 9.779 -12.785 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.628 11.642 -14.006 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.243 10.864 -14.747 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.035 13.062 -12.672 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.087 13.391 -14.389 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.945 11.369 -13.479 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.277 13.063 -13.174 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.321 11.704 -15.756 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.865 14.794 -14.112 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.339 15.745 -15.523 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.924 12.932 -17.565 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.936 14.696 -17.470 1.00 0.00 H new ATOM 1669 N GLN A 111 1.633 8.355 -13.258 1.00 0.00 N ATOM 1670 CA GLN A 111 2.744 7.411 -13.292 1.00 0.00 C ATOM 1671 C GLN A 111 3.874 7.933 -14.173 1.00 0.00 C ATOM 1672 O GLN A 111 3.642 8.688 -15.118 1.00 0.00 O ATOM 1673 CB GLN A 111 2.269 6.050 -13.805 1.00 0.00 C ATOM 1674 CG GLN A 111 2.092 5.997 -15.314 1.00 0.00 C ATOM 1675 CD GLN A 111 1.086 4.949 -15.747 1.00 0.00 C ATOM 1676 OE1 GLN A 111 1.454 3.899 -16.274 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -0.193 5.227 -15.524 1.00 0.00 N ATOM 0 H GLN A 111 0.799 8.044 -13.757 1.00 0.00 H new ATOM 0 HA GLN A 111 3.122 7.297 -12.276 1.00 0.00 H new ATOM 0 HB2 GLN A 111 2.987 5.287 -13.505 1.00 0.00 H new ATOM 0 HB3 GLN A 111 1.321 5.801 -13.327 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.770 6.975 -15.673 1.00 0.00 H new ATOM 0 HG3 GLN A 111 3.054 5.787 -15.782 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.454 6.110 -15.084 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -0.915 4.558 -15.792 1.00 0.00 H new ATOM 1686 N LYS A 112 5.100 7.527 -13.858 1.00 0.00 N ATOM 1687 CA LYS A 112 6.267 7.953 -14.620 1.00 0.00 C ATOM 1688 C LYS A 112 6.075 7.679 -16.108 1.00 0.00 C ATOM 1689 O LYS A 112 5.109 7.030 -16.510 1.00 0.00 O ATOM 1690 CB LYS A 112 7.520 7.234 -14.116 1.00 0.00 C ATOM 1691 CG LYS A 112 7.953 7.668 -12.726 1.00 0.00 C ATOM 1692 CD LYS A 112 8.958 8.807 -12.786 1.00 0.00 C ATOM 1693 CE LYS A 112 8.275 10.160 -12.661 1.00 0.00 C ATOM 1694 NZ LYS A 112 8.187 10.610 -11.244 1.00 0.00 N ATOM 0 H LYS A 112 5.310 6.903 -13.079 1.00 0.00 H new ATOM 0 HA LYS A 112 6.390 9.027 -14.479 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.335 6.160 -14.111 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.337 7.413 -14.815 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.080 7.981 -12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.393 6.821 -12.200 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.688 8.692 -11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.506 8.761 -13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.825 10.899 -13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.273 10.101 -13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.481 11.369 -11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.905 9.810 -10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.114 10.965 -10.934 1.00 0.00 H new