USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 986 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.1) USER MOD Single : A 25 GLN : amide:sc=-0.00194 X(o=-0.0019,f=0) USER MOD Single : A 26 TYR OH : rot 150:sc= -0.0826 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.269 K(o=-0.27,f=-2!) USER MOD Single : A 31 ASN :FLIP amide:sc=-0.00993 F(o=-0.82,f=-0.0099) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00194) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.282 USER MOD Single : A 40 HIS : no HE2:sc= -10.3! C(o=-10!,f=-10!) USER MOD Single : A 49 GLN : amide:sc= -4.56! C(o=-4.6!,f=-14!) USER MOD Single : A 50 MET CE :methyl 171:sc= -3.46! (180deg=-3.92!) USER MOD Single : A 53 HIS : no HD1:sc= -5.06 K(o=-5.1,f=-6.4!) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= -0.269 (180deg=-0.368) USER MOD Single : A 65 LYS NZ :NH3+ -159:sc= -0.0537 (180deg=-0.514) USER MOD Single : A 68 MET CE :methyl 168:sc= 0 (180deg=-0.0808) USER MOD Single : A 70 MET CE :methyl -167:sc= -0.595 (180deg=-1.17) USER MOD Single : A 71 CYS SG : rot -100:sc= -3.88! USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= -0.0389 (180deg=-0.299) USER MOD Single : A 74 ASN : amide:sc= 0.161 K(o=0.16,f=-0.41) USER MOD Single : A 78 THR OG1 : rot -88:sc= -1.13! USER MOD Single : A 81 THR OG1 : rot 150:sc= -0.0539 USER MOD Single : A 83 LYS NZ :NH3+ -142:sc= -1.92 (180deg=-4.11!) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.0813 F(o=-1.2,f=-0.081) USER MOD Single : A 100 CYS SG : rot -140:sc= -1.06 USER MOD Single : A 104 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.14) USER MOD Single : A 105 TYR OH : rot -94:sc= 1.13 USER MOD Single : A 107 GLN :FLIP amide:sc= -5.21! C(o=-5.7!,f=-5.2!) USER MOD Single : A 108 SER OG : rot -50:sc= 0.726 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.48) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -96:sc= -1.29 USER MOD Single : A 123 MET CE :methyl -177:sc= -10.7! (180deg=-10.9!) USER MOD Single : A 125 GLN : amide:sc= -1.05 X(o=-1,f=-1.3) USER MOD Single : A 126 ASN : amide:sc= 0.00323 X(o=0.0032,f=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ARG A 10 8.779 16.726 4.558 1.00 0.00 N ATOM 157 CA ARG A 10 9.515 15.498 4.834 1.00 0.00 C ATOM 158 C ARG A 10 9.757 14.706 3.553 1.00 0.00 C ATOM 159 O ARG A 10 9.548 15.211 2.450 1.00 0.00 O ATOM 160 CB ARG A 10 8.752 14.638 5.846 1.00 0.00 C ATOM 161 CG ARG A 10 9.637 14.057 6.937 1.00 0.00 C ATOM 162 CD ARG A 10 8.856 13.817 8.219 1.00 0.00 C ATOM 163 NE ARG A 10 8.973 14.937 9.149 1.00 0.00 N ATOM 164 CZ ARG A 10 8.704 14.852 10.450 1.00 0.00 C ATOM 165 NH1 ARG A 10 8.301 13.703 10.978 1.00 0.00 N ATOM 166 NH2 ARG A 10 8.839 15.919 11.226 1.00 0.00 N ATOM 0 HA ARG A 10 10.482 15.771 5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.970 15.241 6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.257 13.823 5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.071 13.118 6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.465 14.737 7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.805 13.654 7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 10 9.218 12.908 8.699 1.00 0.00 H new ATOM 0 HE ARG A 10 9.279 15.837 8.780 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.196 12.879 10.386 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.096 13.644 11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.149 16.805 10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.633 15.854 12.223 1.00 0.00 H new ATOM 180 N GLN A 11 10.203 13.463 3.707 1.00 0.00 N ATOM 181 CA GLN A 11 10.477 12.603 2.563 1.00 0.00 C ATOM 182 C GLN A 11 9.295 11.682 2.275 1.00 0.00 C ATOM 183 O GLN A 11 8.517 11.353 3.172 1.00 0.00 O ATOM 184 CB GLN A 11 11.739 11.773 2.812 1.00 0.00 C ATOM 185 CG GLN A 11 12.624 11.631 1.583 1.00 0.00 C ATOM 186 CD GLN A 11 14.037 12.128 1.820 1.00 0.00 C ATOM 187 OE1 GLN A 11 14.837 11.468 2.483 1.00 0.00 O ATOM 188 NE2 GLN A 11 14.349 13.299 1.277 1.00 0.00 N ATOM 0 H GLN A 11 10.382 13.030 4.613 1.00 0.00 H new ATOM 0 HA GLN A 11 10.636 13.240 1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.315 12.234 3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.449 10.781 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.657 10.584 1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.182 12.186 0.756 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.653 13.811 0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.284 13.686 1.402 1.00 0.00 H new ATOM 197 N GLN A 12 9.168 11.272 1.018 1.00 0.00 N ATOM 198 CA GLN A 12 8.084 10.390 0.603 1.00 0.00 C ATOM 199 C GLN A 12 8.632 9.110 -0.017 1.00 0.00 C ATOM 200 O GLN A 12 9.074 9.106 -1.166 1.00 0.00 O ATOM 201 CB GLN A 12 7.179 11.106 -0.400 1.00 0.00 C ATOM 202 CG GLN A 12 6.118 11.980 0.251 1.00 0.00 C ATOM 203 CD GLN A 12 6.710 13.171 0.980 1.00 0.00 C ATOM 204 OE1 GLN A 12 7.362 14.022 0.375 1.00 0.00 O ATOM 205 NE2 GLN A 12 6.483 13.237 2.286 1.00 0.00 N ATOM 0 H GLN A 12 9.805 11.537 0.267 1.00 0.00 H new ATOM 0 HA GLN A 12 7.503 10.125 1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.794 11.723 -1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.689 10.363 -1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.425 12.334 -0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.539 11.380 0.953 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.937 12.509 2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.855 14.016 2.830 1.00 0.00 H new ATOM 214 N ARG A 13 8.605 8.021 0.749 1.00 0.00 N ATOM 215 CA ARG A 13 9.105 6.741 0.266 1.00 0.00 C ATOM 216 C ARG A 13 7.956 5.767 0.021 1.00 0.00 C ATOM 217 O ARG A 13 7.027 5.669 0.821 1.00 0.00 O ATOM 218 CB ARG A 13 10.098 6.142 1.265 1.00 0.00 C ATOM 219 CG ARG A 13 11.048 7.162 1.878 1.00 0.00 C ATOM 220 CD ARG A 13 12.451 7.033 1.306 1.00 0.00 C ATOM 221 NE ARG A 13 12.695 7.999 0.237 1.00 0.00 N ATOM 222 CZ ARG A 13 13.668 7.875 -0.664 1.00 0.00 C ATOM 223 NH1 ARG A 13 14.489 6.833 -0.628 1.00 0.00 N ATOM 224 NH2 ARG A 13 13.819 8.798 -1.606 1.00 0.00 N ATOM 0 H ARG A 13 8.243 8.002 1.702 1.00 0.00 H new ATOM 0 HA ARG A 13 9.619 6.914 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.543 5.651 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.683 5.371 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.671 8.168 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.081 7.026 2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.182 7.179 2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.595 6.023 0.922 1.00 0.00 H new ATOM 0 HE ARG A 13 12.085 8.815 0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.377 6.120 0.093 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.232 6.745 -1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.190 9.601 -1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.564 8.705 -2.297 1.00 0.00 H new ATOM 238 N PHE A 14 8.028 5.053 -1.096 1.00 0.00 N ATOM 239 CA PHE A 14 6.998 4.086 -1.466 1.00 0.00 C ATOM 240 C PHE A 14 7.602 2.691 -1.578 1.00 0.00 C ATOM 241 O PHE A 14 8.712 2.532 -2.087 1.00 0.00 O ATOM 242 CB PHE A 14 6.344 4.497 -2.790 1.00 0.00 C ATOM 243 CG PHE A 14 6.195 5.987 -2.941 1.00 0.00 C ATOM 244 CD1 PHE A 14 7.305 6.790 -3.145 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.947 6.584 -2.862 1.00 0.00 C ATOM 246 CE1 PHE A 14 7.175 8.160 -3.271 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.810 7.954 -2.984 1.00 0.00 C ATOM 248 CZ PHE A 14 5.926 8.743 -3.188 1.00 0.00 C ATOM 0 H PHE A 14 8.794 5.125 -1.766 1.00 0.00 H new ATOM 0 HA PHE A 14 6.232 4.069 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.941 4.112 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.361 4.031 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.285 6.340 -3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.071 5.972 -2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.049 8.774 -3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.832 8.407 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.822 9.814 -3.282 1.00 0.00 H new ATOM 258 N PHE A 15 6.888 1.682 -1.085 1.00 0.00 N ATOM 259 CA PHE A 15 7.403 0.318 -1.129 1.00 0.00 C ATOM 260 C PHE A 15 6.315 -0.713 -1.417 1.00 0.00 C ATOM 261 O PHE A 15 5.142 -0.521 -1.086 1.00 0.00 O ATOM 262 CB PHE A 15 8.096 -0.021 0.192 1.00 0.00 C ATOM 263 CG PHE A 15 8.947 1.093 0.729 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.387 2.091 1.511 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.303 1.146 0.452 1.00 0.00 C ATOM 266 CE1 PHE A 15 9.162 3.120 2.006 1.00 0.00 C ATOM 267 CE2 PHE A 15 11.084 2.174 0.946 1.00 0.00 C ATOM 268 CZ PHE A 15 10.513 3.162 1.725 1.00 0.00 C ATOM 0 H PHE A 15 5.967 1.780 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 15 8.118 0.274 -1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.340 -0.279 0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.717 -0.905 0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.331 2.063 1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.755 0.376 -0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.712 3.892 2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.140 2.205 0.723 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.122 3.965 2.113 1.00 0.00 H new ATOM 278 N ARG A 16 6.739 -1.818 -2.027 1.00 0.00 N ATOM 279 CA ARG A 16 5.850 -2.922 -2.367 1.00 0.00 C ATOM 280 C ARG A 16 6.627 -4.235 -2.329 1.00 0.00 C ATOM 281 O ARG A 16 7.819 -4.259 -2.634 1.00 0.00 O ATOM 282 CB ARG A 16 5.241 -2.719 -3.754 1.00 0.00 C ATOM 283 CG ARG A 16 4.311 -3.842 -4.183 1.00 0.00 C ATOM 284 CD ARG A 16 4.428 -4.125 -5.672 1.00 0.00 C ATOM 285 NE ARG A 16 5.531 -5.036 -5.969 1.00 0.00 N ATOM 286 CZ ARG A 16 5.673 -5.677 -7.127 1.00 0.00 C ATOM 287 NH1 ARG A 16 4.787 -5.506 -8.100 1.00 0.00 N ATOM 288 NH2 ARG A 16 6.704 -6.491 -7.310 1.00 0.00 N ATOM 0 H ARG A 16 7.710 -1.971 -2.299 1.00 0.00 H new ATOM 0 HA ARG A 16 5.041 -2.956 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.690 -1.779 -3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.045 -2.626 -4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.546 -4.745 -3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.282 -3.575 -3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.494 -4.555 -6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.576 -3.188 -6.209 1.00 0.00 H new ATOM 0 HE ARG A 16 6.234 -5.190 -5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.993 -4.881 -7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.900 -5.999 -8.985 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.387 -6.625 -6.564 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.814 -6.983 -8.197 1.00 0.00 H new ATOM 302 N ILE A 17 5.964 -5.326 -1.954 1.00 0.00 N ATOM 303 CA ILE A 17 6.635 -6.620 -1.887 1.00 0.00 C ATOM 304 C ILE A 17 5.664 -7.784 -2.084 1.00 0.00 C ATOM 305 O ILE A 17 4.626 -7.859 -1.423 1.00 0.00 O ATOM 306 CB ILE A 17 7.382 -6.806 -0.547 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.606 -6.159 0.609 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.785 -6.225 -0.643 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.404 -6.045 1.894 1.00 0.00 C ATOM 0 H ILE A 17 4.977 -5.341 -1.695 1.00 0.00 H new ATOM 0 HA ILE A 17 7.357 -6.626 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 17 7.459 -7.874 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.281 -5.164 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.706 -6.743 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.301 -6.362 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.337 -6.735 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.723 -5.161 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.789 -5.578 2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.706 -7.039 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.291 -5.436 1.719 1.00 0.00 H new ATOM 321 N PRO A 18 6.000 -8.717 -2.999 1.00 0.00 N ATOM 322 CA PRO A 18 5.178 -9.888 -3.286 1.00 0.00 C ATOM 323 C PRO A 18 5.584 -11.083 -2.430 1.00 0.00 C ATOM 324 O PRO A 18 6.711 -11.566 -2.527 1.00 0.00 O ATOM 325 CB PRO A 18 5.511 -10.154 -4.749 1.00 0.00 C ATOM 326 CG PRO A 18 6.953 -9.784 -4.869 1.00 0.00 C ATOM 327 CD PRO A 18 7.217 -8.711 -3.834 1.00 0.00 C ATOM 0 HA PRO A 18 4.119 -9.731 -3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.345 -11.199 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.889 -9.555 -5.414 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.590 -10.652 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.176 -9.418 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.107 -8.934 -3.245 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.378 -7.738 -4.299 1.00 0.00 H new ATOM 335 N PHE A 19 4.672 -11.558 -1.592 1.00 0.00 N ATOM 336 CA PHE A 19 4.967 -12.696 -0.728 1.00 0.00 C ATOM 337 C PHE A 19 3.821 -13.697 -0.711 1.00 0.00 C ATOM 338 O PHE A 19 2.686 -13.370 -1.055 1.00 0.00 O ATOM 339 CB PHE A 19 5.267 -12.221 0.695 1.00 0.00 C ATOM 340 CG PHE A 19 4.154 -11.425 1.312 1.00 0.00 C ATOM 341 CD1 PHE A 19 3.070 -12.060 1.897 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.190 -10.039 1.307 1.00 0.00 C ATOM 343 CE1 PHE A 19 2.045 -11.330 2.466 1.00 0.00 C ATOM 344 CE2 PHE A 19 3.167 -9.302 1.874 1.00 0.00 C ATOM 345 CZ PHE A 19 2.093 -9.948 2.455 1.00 0.00 C ATOM 0 H PHE A 19 3.731 -11.178 -1.491 1.00 0.00 H new ATOM 0 HA PHE A 19 5.846 -13.197 -1.132 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.473 -13.088 1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.172 -11.614 0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.026 -13.139 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.028 -9.529 0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.207 -11.838 2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.207 -8.223 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.293 -9.375 2.900 1.00 0.00 H new ATOM 355 N ILE A 20 4.138 -14.924 -0.309 1.00 0.00 N ATOM 356 CA ILE A 20 3.148 -15.989 -0.246 1.00 0.00 C ATOM 357 C ILE A 20 2.689 -16.228 1.182 1.00 0.00 C ATOM 358 O ILE A 20 3.459 -16.078 2.130 1.00 0.00 O ATOM 359 CB ILE A 20 3.697 -17.308 -0.821 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.700 -17.018 -1.931 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.562 -18.176 -1.341 1.00 0.00 C ATOM 362 CD1 ILE A 20 5.294 -18.257 -2.560 1.00 0.00 C ATOM 0 H ILE A 20 5.076 -15.204 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 20 2.301 -15.664 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 20 4.205 -17.852 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.209 -16.429 -2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.506 -16.405 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.969 -19.104 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.876 -18.404 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.027 -17.643 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.998 -17.967 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.815 -18.837 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.498 -18.861 -2.995 1.00 0.00 H new ATOM 374 N ARG A 21 1.430 -16.611 1.328 1.00 0.00 N ATOM 375 CA ARG A 21 0.866 -16.883 2.643 1.00 0.00 C ATOM 376 C ARG A 21 1.374 -18.225 3.165 1.00 0.00 C ATOM 377 O ARG A 21 1.521 -19.177 2.402 1.00 0.00 O ATOM 378 CB ARG A 21 -0.663 -16.884 2.580 1.00 0.00 C ATOM 379 CG ARG A 21 -1.287 -15.557 2.978 1.00 0.00 C ATOM 380 CD ARG A 21 -2.620 -15.337 2.280 1.00 0.00 C ATOM 381 NE ARG A 21 -3.751 -15.668 3.143 1.00 0.00 N ATOM 382 CZ ARG A 21 -4.978 -15.925 2.694 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.236 -15.888 1.392 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.949 -16.220 3.547 1.00 0.00 N ATOM 0 H ARG A 21 0.779 -16.741 0.553 1.00 0.00 H new ATOM 0 HA ARG A 21 1.183 -16.096 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.977 -17.135 1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.045 -17.667 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.432 -15.531 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.606 -14.744 2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.697 -14.296 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.662 -15.947 1.378 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.591 -15.704 4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.493 -15.662 0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.177 -16.086 1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.757 -16.250 4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.889 -16.417 3.202 1.00 0.00 H new ATOM 398 N PRO A 22 1.659 -18.316 4.474 1.00 0.00 N ATOM 399 CA PRO A 22 2.164 -19.549 5.089 1.00 0.00 C ATOM 400 C PRO A 22 1.258 -20.748 4.833 1.00 0.00 C ATOM 401 O PRO A 22 1.710 -21.796 4.372 1.00 0.00 O ATOM 402 CB PRO A 22 2.212 -19.224 6.588 1.00 0.00 C ATOM 403 CG PRO A 22 1.401 -17.982 6.754 1.00 0.00 C ATOM 404 CD PRO A 22 1.522 -17.235 5.459 1.00 0.00 C ATOM 0 HA PRO A 22 3.131 -19.832 4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.802 -20.042 7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.238 -19.071 6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.360 -18.222 6.971 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.770 -17.383 7.586 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.645 -16.618 5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.386 -16.571 5.454 1.00 0.00 H new ATOM 412 N ALA A 23 -0.021 -20.592 5.139 1.00 0.00 N ATOM 413 CA ALA A 23 -0.987 -21.667 4.950 1.00 0.00 C ATOM 414 C ALA A 23 -0.949 -22.203 3.526 1.00 0.00 C ATOM 415 O ALA A 23 -0.707 -23.388 3.302 1.00 0.00 O ATOM 416 CB ALA A 23 -2.386 -21.184 5.297 1.00 0.00 C ATOM 0 H ALA A 23 -0.416 -19.732 5.519 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.717 -22.483 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.098 -21.996 5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.412 -20.861 6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.653 -20.348 4.651 1.00 0.00 H new ATOM 422 N ASP A 24 -1.195 -21.321 2.569 1.00 0.00 N ATOM 423 CA ASP A 24 -1.199 -21.697 1.159 1.00 0.00 C ATOM 424 C ASP A 24 0.201 -22.088 0.690 1.00 0.00 C ATOM 425 O ASP A 24 0.361 -22.921 -0.206 1.00 0.00 O ATOM 426 CB ASP A 24 -1.728 -20.542 0.308 1.00 0.00 C ATOM 427 CG ASP A 24 -3.018 -19.965 0.855 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.876 -20.752 1.310 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.174 -18.725 0.828 1.00 0.00 O ATOM 0 H ASP A 24 -1.395 -20.336 2.742 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.853 -22.561 1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.974 -19.756 0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.893 -20.891 -0.711 1.00 0.00 H new ATOM 434 N GLN A 25 1.209 -21.472 1.302 1.00 0.00 N ATOM 435 CA GLN A 25 2.603 -21.728 0.959 1.00 0.00 C ATOM 436 C GLN A 25 2.923 -23.220 0.998 1.00 0.00 C ATOM 437 O GLN A 25 3.393 -23.789 0.013 1.00 0.00 O ATOM 438 CB GLN A 25 3.518 -20.951 1.918 1.00 0.00 C ATOM 439 CG GLN A 25 4.969 -21.408 1.925 1.00 0.00 C ATOM 440 CD GLN A 25 5.892 -20.433 1.221 1.00 0.00 C ATOM 441 OE1 GLN A 25 6.438 -20.733 0.159 1.00 0.00 O ATOM 442 NE2 GLN A 25 6.073 -19.257 1.811 1.00 0.00 N ATOM 0 H GLN A 25 1.083 -20.785 2.045 1.00 0.00 H new ATOM 0 HA GLN A 25 2.777 -21.386 -0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.486 -19.894 1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.119 -21.038 2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.300 -21.536 2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.041 -22.383 1.443 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.601 -19.050 2.691 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.684 -18.561 1.384 1.00 0.00 H new ATOM 451 N TYR A 26 2.677 -23.842 2.140 1.00 0.00 N ATOM 452 CA TYR A 26 2.954 -25.268 2.299 1.00 0.00 C ATOM 453 C TYR A 26 1.740 -26.120 1.945 1.00 0.00 C ATOM 454 O TYR A 26 1.866 -27.322 1.714 1.00 0.00 O ATOM 455 CB TYR A 26 3.417 -25.587 3.725 1.00 0.00 C ATOM 456 CG TYR A 26 2.793 -24.722 4.791 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.466 -24.888 5.157 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.534 -23.740 5.434 1.00 0.00 C ATOM 459 CE1 TYR A 26 0.892 -24.101 6.134 1.00 0.00 C ATOM 460 CE2 TYR A 26 2.969 -22.946 6.412 1.00 0.00 C ATOM 461 CZ TYR A 26 1.646 -23.130 6.759 1.00 0.00 C ATOM 462 OH TYR A 26 1.078 -22.342 7.733 1.00 0.00 O ATOM 0 H TYR A 26 2.289 -23.389 2.967 1.00 0.00 H new ATOM 0 HA TYR A 26 3.758 -25.514 1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.190 -26.631 3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.500 -25.479 3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.872 -25.646 4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.570 -23.595 5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.143 -24.245 6.408 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.559 -22.186 6.902 1.00 0.00 H new ATOM 0 HH TYR A 26 1.764 -22.075 8.379 1.00 0.00 H new ATOM 472 N LYS A 27 0.566 -25.499 1.895 1.00 0.00 N ATOM 473 CA LYS A 27 -0.655 -26.220 1.559 1.00 0.00 C ATOM 474 C LYS A 27 -0.547 -26.851 0.178 1.00 0.00 C ATOM 475 O LYS A 27 -0.906 -28.014 -0.014 1.00 0.00 O ATOM 476 CB LYS A 27 -1.863 -25.285 1.610 1.00 0.00 C ATOM 477 CG LYS A 27 -2.614 -25.333 2.929 1.00 0.00 C ATOM 478 CD LYS A 27 -3.333 -24.023 3.208 1.00 0.00 C ATOM 479 CE LYS A 27 -4.810 -24.116 2.866 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.645 -24.396 4.067 1.00 0.00 N ATOM 0 H LYS A 27 0.435 -24.505 2.082 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.791 -27.012 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.529 -24.263 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.547 -25.545 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.337 -26.149 2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.916 -25.546 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.218 -23.760 4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.873 -23.223 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.135 -23.182 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.962 -24.903 2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.646 -24.451 3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.353 -25.300 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.521 -23.632 4.762 1.00 0.00 H new ATOM 494 N ASP A 28 -0.049 -26.079 -0.781 1.00 0.00 N ATOM 495 CA ASP A 28 0.107 -26.569 -2.145 1.00 0.00 C ATOM 496 C ASP A 28 0.957 -25.616 -2.982 1.00 0.00 C ATOM 497 O ASP A 28 0.740 -24.403 -2.965 1.00 0.00 O ATOM 498 CB ASP A 28 -1.265 -26.753 -2.800 1.00 0.00 C ATOM 499 CG ASP A 28 -1.251 -27.813 -3.883 1.00 0.00 C ATOM 500 OD1 ASP A 28 -0.917 -27.477 -5.039 1.00 0.00 O ATOM 501 OD2 ASP A 28 -1.574 -28.980 -3.576 1.00 0.00 O ATOM 0 H ASP A 28 0.253 -25.115 -0.640 1.00 0.00 H new ATOM 0 HA ASP A 28 0.618 -27.531 -2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.995 -27.026 -2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.590 -25.805 -3.228 1.00 0.00 H new ATOM 506 N PRO A 29 1.939 -26.151 -3.733 1.00 0.00 N ATOM 507 CA PRO A 29 2.816 -25.338 -4.581 1.00 0.00 C ATOM 508 C PRO A 29 2.066 -24.706 -5.751 1.00 0.00 C ATOM 509 O PRO A 29 2.576 -23.802 -6.413 1.00 0.00 O ATOM 510 CB PRO A 29 3.855 -26.336 -5.090 1.00 0.00 C ATOM 511 CG PRO A 29 3.178 -27.656 -5.013 1.00 0.00 C ATOM 512 CD PRO A 29 2.266 -27.586 -3.820 1.00 0.00 C ATOM 0 HA PRO A 29 3.248 -24.501 -4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.159 -26.106 -6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.756 -26.317 -4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.614 -27.859 -5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.904 -28.461 -4.902 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.373 -28.195 -3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.758 -27.943 -2.915 1.00 0.00 H new ATOM 520 N GLN A 30 0.850 -25.185 -5.996 1.00 0.00 N ATOM 521 CA GLN A 30 0.027 -24.666 -7.080 1.00 0.00 C ATOM 522 C GLN A 30 -0.974 -23.648 -6.546 1.00 0.00 C ATOM 523 O GLN A 30 -1.305 -22.673 -7.220 1.00 0.00 O ATOM 524 CB GLN A 30 -0.711 -25.807 -7.782 1.00 0.00 C ATOM 525 CG GLN A 30 0.216 -26.795 -8.472 1.00 0.00 C ATOM 526 CD GLN A 30 -0.263 -27.174 -9.861 1.00 0.00 C ATOM 527 OE1 GLN A 30 -1.389 -26.863 -10.247 1.00 0.00 O ATOM 528 NE2 GLN A 30 0.593 -27.851 -10.618 1.00 0.00 N ATOM 0 H GLN A 30 0.414 -25.933 -5.457 1.00 0.00 H new ATOM 0 HA GLN A 30 0.679 -24.173 -7.801 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.318 -26.341 -7.051 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.395 -25.387 -8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.214 -26.363 -8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.300 -27.695 -7.863 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.517 -28.087 -10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.326 -28.134 -11.561 1.00 0.00 H new ATOM 537 N ASN A 31 -1.449 -23.882 -5.327 1.00 0.00 N ATOM 538 CA ASN A 31 -2.406 -22.985 -4.696 1.00 0.00 C ATOM 539 C ASN A 31 -1.705 -22.035 -3.735 1.00 0.00 C ATOM 540 O ASN A 31 -2.305 -21.550 -2.776 1.00 0.00 O ATOM 541 CB ASN A 31 -3.472 -23.781 -3.947 1.00 0.00 C ATOM 542 CG ASN A 31 -4.242 -24.718 -4.856 1.00 0.00 C ATOM 543 OD1 ASN A 31 -3.617 -25.831 -5.225 1.00 0.00 O flip ATOM 544 ND2 ASN A 31 -5.384 -24.445 -5.225 1.00 0.00 N flip ATOM 0 H ASN A 31 -1.186 -24.686 -4.757 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.885 -22.399 -5.481 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.999 -24.358 -3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.167 -23.091 -3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.826 -23.579 -4.917 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.888 -25.085 -5.839 1.00 0.00 H new ATOM 551 N LYS A 32 -0.432 -21.770 -4.003 1.00 0.00 N ATOM 552 CA LYS A 32 0.356 -20.874 -3.167 1.00 0.00 C ATOM 553 C LYS A 32 -0.295 -19.500 -3.099 1.00 0.00 C ATOM 554 O LYS A 32 -0.772 -19.073 -2.048 1.00 0.00 O ATOM 555 CB LYS A 32 1.772 -20.738 -3.722 1.00 0.00 C ATOM 556 CG LYS A 32 2.653 -21.946 -3.465 1.00 0.00 C ATOM 557 CD LYS A 32 3.938 -21.866 -4.272 1.00 0.00 C ATOM 558 CE LYS A 32 5.097 -22.528 -3.545 1.00 0.00 C ATOM 559 NZ LYS A 32 6.411 -22.132 -4.120 1.00 0.00 N ATOM 0 H LYS A 32 0.077 -22.164 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 32 0.402 -21.298 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.715 -20.564 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.241 -19.858 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.890 -22.008 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.113 -22.856 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.792 -22.347 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.180 -20.822 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.066 -22.257 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.989 -23.611 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.176 -22.605 -3.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.451 -22.413 -5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.526 -21.101 -4.045 1.00 0.00 H new ATOM 573 N LYS A 33 -0.302 -18.819 -4.235 1.00 0.00 N ATOM 574 CA LYS A 33 -0.887 -17.487 -4.330 1.00 0.00 C ATOM 575 C LYS A 33 -0.188 -16.516 -3.383 1.00 0.00 C ATOM 576 O LYS A 33 -0.235 -16.682 -2.165 1.00 0.00 O ATOM 577 CB LYS A 33 -2.383 -17.540 -4.012 1.00 0.00 C ATOM 578 CG LYS A 33 -3.120 -18.657 -4.733 1.00 0.00 C ATOM 579 CD LYS A 33 -3.165 -18.420 -6.234 1.00 0.00 C ATOM 580 CE LYS A 33 -4.554 -18.001 -6.691 1.00 0.00 C ATOM 581 NZ LYS A 33 -5.512 -19.140 -6.677 1.00 0.00 N ATOM 0 H LYS A 33 0.092 -19.168 -5.109 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.752 -17.131 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.513 -17.665 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.837 -16.585 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.629 -19.609 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.136 -18.733 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.444 -17.648 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.868 -19.330 -6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.925 -17.207 -6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.495 -17.589 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.437 -18.820 -7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.155 -19.901 -7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.614 -19.496 -5.705 1.00 0.00 H new ATOM 595 N LYS A 34 0.457 -15.501 -3.949 1.00 0.00 N ATOM 596 CA LYS A 34 1.158 -14.507 -3.143 1.00 0.00 C ATOM 597 C LYS A 34 0.421 -13.176 -3.158 1.00 0.00 C ATOM 598 O LYS A 34 -0.147 -12.777 -4.175 1.00 0.00 O ATOM 599 CB LYS A 34 2.600 -14.304 -3.622 1.00 0.00 C ATOM 600 CG LYS A 34 2.822 -14.604 -5.094 1.00 0.00 C ATOM 601 CD LYS A 34 3.350 -16.010 -5.300 1.00 0.00 C ATOM 602 CE LYS A 34 2.230 -16.982 -5.610 1.00 0.00 C ATOM 603 NZ LYS A 34 2.718 -18.175 -6.356 1.00 0.00 N ATOM 0 H LYS A 34 0.509 -15.345 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 34 1.186 -14.888 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.893 -13.273 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.259 -14.940 -3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.884 -14.483 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.527 -13.885 -5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.072 -16.013 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.879 -16.336 -4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.761 -17.303 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.463 -16.476 -6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.921 -18.814 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.143 -17.872 -7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.431 -18.673 -5.786 1.00 0.00 H new ATOM 617 N GLY A 35 0.439 -12.490 -2.022 1.00 0.00 N ATOM 618 CA GLY A 35 -0.225 -11.207 -1.920 1.00 0.00 C ATOM 619 C GLY A 35 0.723 -10.052 -2.157 1.00 0.00 C ATOM 620 O GLY A 35 1.862 -10.067 -1.687 1.00 0.00 O ATOM 0 H GLY A 35 0.903 -12.801 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.038 -11.162 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.674 -11.110 -0.931 1.00 0.00 H new ATOM 624 N TRP A 36 0.257 -9.046 -2.886 1.00 0.00 N ATOM 625 CA TRP A 36 1.075 -7.880 -3.182 1.00 0.00 C ATOM 626 C TRP A 36 0.757 -6.748 -2.218 1.00 0.00 C ATOM 627 O TRP A 36 -0.333 -6.177 -2.245 1.00 0.00 O ATOM 628 CB TRP A 36 0.862 -7.439 -4.628 1.00 0.00 C ATOM 629 CG TRP A 36 1.329 -8.465 -5.607 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.622 -8.747 -5.935 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.513 -9.356 -6.374 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.662 -9.765 -6.859 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.378 -10.155 -7.144 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.866 -9.557 -6.484 1.00 0.00 C ATOM 635 CZ2 TRP A 36 0.909 -11.141 -8.011 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.331 -10.534 -7.344 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.445 -11.317 -8.097 1.00 0.00 C ATOM 0 H TRP A 36 -0.682 -9.015 -3.282 1.00 0.00 H new ATOM 0 HA TRP A 36 2.124 -8.147 -3.056 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.197 -7.238 -4.792 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.394 -6.504 -4.803 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.488 -8.245 -5.529 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.508 -10.165 -7.266 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.556 -8.959 -5.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.590 -11.744 -8.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.395 -10.697 -7.437 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.839 -12.074 -8.758 1.00 0.00 H new ATOM 648 N TRP A 37 1.714 -6.446 -1.351 1.00 0.00 N ATOM 649 CA TRP A 37 1.545 -5.402 -0.352 1.00 0.00 C ATOM 650 C TRP A 37 2.130 -4.075 -0.824 1.00 0.00 C ATOM 651 O TRP A 37 3.335 -3.964 -1.046 1.00 0.00 O ATOM 652 CB TRP A 37 2.218 -5.838 0.950 1.00 0.00 C ATOM 653 CG TRP A 37 1.871 -4.991 2.134 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.630 -4.791 2.668 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.782 -4.239 2.940 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.716 -3.960 3.759 1.00 0.00 N ATOM 657 CE2 TRP A 37 2.027 -3.607 3.946 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.164 -4.041 2.907 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.614 -2.791 4.913 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.743 -3.232 3.864 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.969 -2.616 4.857 1.00 0.00 C ATOM 0 H TRP A 37 2.620 -6.913 -1.321 1.00 0.00 H new ATOM 0 HA TRP A 37 0.478 -5.251 -0.188 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.939 -6.870 1.162 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.299 -5.822 0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.284 -5.223 2.289 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.068 -3.655 4.336 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.769 -4.512 2.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.020 -2.314 5.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.811 -3.071 3.847 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.453 -1.991 5.593 1.00 0.00 H new ATOM 672 N TYR A 38 1.269 -3.068 -0.960 1.00 0.00 N ATOM 673 CA TYR A 38 1.701 -1.738 -1.384 1.00 0.00 C ATOM 674 C TYR A 38 1.414 -0.720 -0.290 1.00 0.00 C ATOM 675 O TYR A 38 0.410 -0.827 0.415 1.00 0.00 O ATOM 676 CB TYR A 38 0.984 -1.304 -2.668 1.00 0.00 C ATOM 677 CG TYR A 38 0.895 -2.371 -3.735 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.152 -3.525 -3.528 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.545 -2.219 -4.953 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.059 -4.497 -4.505 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.456 -3.185 -5.936 1.00 0.00 C ATOM 682 CZ TYR A 38 0.712 -4.322 -5.706 1.00 0.00 C ATOM 683 OH TYR A 38 0.621 -5.289 -6.681 1.00 0.00 O ATOM 0 H TYR A 38 0.268 -3.148 -0.783 1.00 0.00 H new ATOM 0 HA TYR A 38 2.773 -1.785 -1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.025 -0.980 -2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.501 -0.438 -3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.361 -3.665 -2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.130 -1.330 -5.135 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.523 -5.390 -4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.966 -3.050 -6.878 1.00 0.00 H new ATOM 0 HH TYR A 38 1.138 -5.012 -7.466 1.00 0.00 H new ATOM 693 N ALA A 39 2.290 0.266 -0.146 1.00 0.00 N ATOM 694 CA ALA A 39 2.104 1.293 0.871 1.00 0.00 C ATOM 695 C ALA A 39 3.090 2.439 0.700 1.00 0.00 C ATOM 696 O ALA A 39 4.306 2.237 0.689 1.00 0.00 O ATOM 697 CB ALA A 39 2.232 0.680 2.257 1.00 0.00 C ATOM 0 H ALA A 39 3.129 0.376 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 39 1.102 1.706 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.092 1.454 3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.474 -0.093 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.222 0.239 2.370 1.00 0.00 H new ATOM 703 N HIS A 40 2.552 3.647 0.588 1.00 0.00 N ATOM 704 CA HIS A 40 3.369 4.840 0.444 1.00 0.00 C ATOM 705 C HIS A 40 3.633 5.439 1.818 1.00 0.00 C ATOM 706 O HIS A 40 2.744 6.046 2.423 1.00 0.00 O ATOM 707 CB HIS A 40 2.673 5.859 -0.464 1.00 0.00 C ATOM 708 CG HIS A 40 3.291 7.225 -0.432 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.628 8.362 -0.846 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.515 7.634 -0.022 1.00 0.00 C ATOM 711 CE1 HIS A 40 3.417 9.409 -0.693 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.568 8.995 -0.194 1.00 0.00 N ATOM 0 H HIS A 40 1.548 3.824 0.594 1.00 0.00 H new ATOM 0 HA HIS A 40 4.319 4.572 -0.017 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.689 5.488 -1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.626 5.938 -0.170 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.677 8.389 -1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.303 7.006 0.368 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.164 10.431 -0.935 1.00 0.00 H new ATOM 721 N PHE A 41 4.849 5.243 2.319 1.00 0.00 N ATOM 722 CA PHE A 41 5.212 5.747 3.634 1.00 0.00 C ATOM 723 C PHE A 41 5.718 7.185 3.566 1.00 0.00 C ATOM 724 O PHE A 41 6.268 7.620 2.554 1.00 0.00 O ATOM 725 CB PHE A 41 6.280 4.865 4.286 1.00 0.00 C ATOM 726 CG PHE A 41 5.824 3.471 4.611 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.370 2.622 3.616 1.00 0.00 C ATOM 728 CD2 PHE A 41 5.860 3.008 5.918 1.00 0.00 C ATOM 729 CE1 PHE A 41 4.956 1.339 3.918 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.447 1.728 6.225 1.00 0.00 C ATOM 731 CZ PHE A 41 4.993 0.891 5.224 1.00 0.00 C ATOM 0 H PHE A 41 5.594 4.741 1.836 1.00 0.00 H new ATOM 0 HA PHE A 41 4.307 5.724 4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.141 4.806 3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.620 5.346 5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.339 2.966 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.216 3.657 6.705 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.603 0.686 3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.479 1.381 7.247 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.668 -0.111 5.462 1.00 0.00 H new ATOM 741 N ASP A 42 5.546 7.905 4.670 1.00 0.00 N ATOM 742 CA ASP A 42 5.997 9.283 4.778 1.00 0.00 C ATOM 743 C ASP A 42 6.941 9.406 5.967 1.00 0.00 C ATOM 744 O ASP A 42 6.537 9.207 7.116 1.00 0.00 O ATOM 745 CB ASP A 42 4.806 10.226 4.949 1.00 0.00 C ATOM 746 CG ASP A 42 3.992 9.915 6.190 1.00 0.00 C ATOM 747 OD1 ASP A 42 4.028 8.752 6.645 1.00 0.00 O ATOM 748 OD2 ASP A 42 3.321 10.832 6.705 1.00 0.00 O ATOM 0 H ASP A 42 5.091 7.549 5.511 1.00 0.00 H new ATOM 0 HA ASP A 42 6.521 9.562 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.165 11.254 5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.164 10.158 4.071 1.00 0.00 H new ATOM 753 N GLY A 43 8.206 9.701 5.691 1.00 0.00 N ATOM 754 CA GLY A 43 9.175 9.804 6.765 1.00 0.00 C ATOM 755 C GLY A 43 9.275 8.501 7.540 1.00 0.00 C ATOM 756 O GLY A 43 9.319 7.428 6.940 1.00 0.00 O ATOM 0 H GLY A 43 8.575 9.869 4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.151 10.062 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.890 10.611 7.440 1.00 0.00 H new ATOM 760 N PRO A 44 9.303 8.557 8.880 1.00 0.00 N ATOM 761 CA PRO A 44 9.388 7.358 9.716 1.00 0.00 C ATOM 762 C PRO A 44 8.081 6.566 9.736 1.00 0.00 C ATOM 763 O PRO A 44 8.056 5.402 10.134 1.00 0.00 O ATOM 764 CB PRO A 44 9.696 7.906 11.120 1.00 0.00 C ATOM 765 CG PRO A 44 9.979 9.362 10.938 1.00 0.00 C ATOM 766 CD PRO A 44 9.254 9.776 9.692 1.00 0.00 C ATOM 0 HA PRO A 44 10.141 6.664 9.341 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.852 7.753 11.793 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.552 7.394 11.560 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.634 9.936 11.798 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.050 9.542 10.843 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.230 10.084 9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.744 10.614 9.196 1.00 0.00 H new ATOM 774 N TRP A 45 6.990 7.213 9.333 1.00 0.00 N ATOM 775 CA TRP A 45 5.676 6.581 9.333 1.00 0.00 C ATOM 776 C TRP A 45 5.117 6.453 7.920 1.00 0.00 C ATOM 777 O TRP A 45 5.845 6.604 6.940 1.00 0.00 O ATOM 778 CB TRP A 45 4.732 7.403 10.207 1.00 0.00 C ATOM 779 CG TRP A 45 5.463 8.143 11.283 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.189 9.290 11.143 1.00 0.00 C ATOM 781 CD2 TRP A 45 5.568 7.765 12.652 1.00 0.00 C ATOM 782 NE1 TRP A 45 6.728 9.654 12.353 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.357 8.733 13.298 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.060 6.705 13.394 1.00 0.00 C ATOM 785 CZ2 TRP A 45 6.652 8.666 14.657 1.00 0.00 C ATOM 786 CZ3 TRP A 45 5.351 6.633 14.742 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.140 7.611 15.365 1.00 0.00 C ATOM 0 H TRP A 45 6.992 8.178 9.002 1.00 0.00 H new ATOM 0 HA TRP A 45 5.771 5.572 9.735 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.188 8.113 9.584 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.991 6.744 10.660 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.320 9.831 10.218 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.309 10.475 12.521 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.448 5.950 12.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.262 9.418 15.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.965 5.811 15.326 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.348 7.531 16.422 1.00 0.00 H new ATOM 798 N ILE A 46 3.820 6.163 7.819 1.00 0.00 N ATOM 799 CA ILE A 46 3.180 6.007 6.518 1.00 0.00 C ATOM 800 C ILE A 46 1.927 6.867 6.393 1.00 0.00 C ATOM 801 O ILE A 46 1.267 7.177 7.384 1.00 0.00 O ATOM 802 CB ILE A 46 2.837 4.527 6.227 1.00 0.00 C ATOM 803 CG1 ILE A 46 1.826 4.406 5.083 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.308 3.844 7.476 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.761 3.018 4.487 1.00 0.00 C ATOM 0 H ILE A 46 3.198 6.033 8.617 1.00 0.00 H new ATOM 0 HA ILE A 46 3.902 6.348 5.776 1.00 0.00 H new ATOM 0 HB ILE A 46 3.756 4.027 5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.838 4.683 5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.087 5.118 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.073 2.804 7.250 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.064 3.883 8.260 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.407 4.354 7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.026 3.002 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.739 2.746 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.471 2.304 5.258 1.00 0.00 H new ATOM 817 N ALA A 47 1.617 7.254 5.156 1.00 0.00 N ATOM 818 CA ALA A 47 0.456 8.084 4.877 1.00 0.00 C ATOM 819 C ALA A 47 -0.698 7.269 4.295 1.00 0.00 C ATOM 820 O ALA A 47 -1.856 7.491 4.646 1.00 0.00 O ATOM 821 CB ALA A 47 0.833 9.213 3.931 1.00 0.00 C ATOM 0 H ALA A 47 2.160 7.002 4.330 1.00 0.00 H new ATOM 0 HA ALA A 47 0.117 8.506 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.045 9.827 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.609 9.827 4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.205 8.795 2.996 1.00 0.00 H new ATOM 827 N ARG A 48 -0.392 6.331 3.395 1.00 0.00 N ATOM 828 CA ARG A 48 -1.438 5.515 2.783 1.00 0.00 C ATOM 829 C ARG A 48 -0.956 4.093 2.529 1.00 0.00 C ATOM 830 O ARG A 48 0.241 3.850 2.376 1.00 0.00 O ATOM 831 CB ARG A 48 -1.912 6.149 1.475 1.00 0.00 C ATOM 832 CG ARG A 48 -0.791 6.755 0.646 1.00 0.00 C ATOM 833 CD ARG A 48 -1.114 6.717 -0.838 1.00 0.00 C ATOM 834 NE ARG A 48 -2.449 7.242 -1.122 1.00 0.00 N ATOM 835 CZ ARG A 48 -2.834 7.690 -2.315 1.00 0.00 C ATOM 836 NH1 ARG A 48 -1.995 7.671 -3.344 1.00 0.00 N ATOM 837 NH2 ARG A 48 -4.064 8.154 -2.480 1.00 0.00 N ATOM 0 H ARG A 48 0.555 6.121 3.079 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.274 5.469 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.424 5.393 0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.644 6.924 1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.624 7.786 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.135 6.212 0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.372 7.298 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.044 5.691 -1.198 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.126 7.266 -0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.048 7.311 -3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.297 8.016 -4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.714 8.167 -1.694 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.361 8.498 -3.393 1.00 0.00 H new ATOM 851 N GLN A 49 -1.897 3.154 2.488 1.00 0.00 N ATOM 852 CA GLN A 49 -1.566 1.753 2.258 1.00 0.00 C ATOM 853 C GLN A 49 -2.597 1.079 1.359 1.00 0.00 C ATOM 854 O GLN A 49 -3.797 1.332 1.468 1.00 0.00 O ATOM 855 CB GLN A 49 -1.475 1.009 3.592 1.00 0.00 C ATOM 856 CG GLN A 49 -1.148 -0.469 3.445 1.00 0.00 C ATOM 857 CD GLN A 49 -0.220 -0.969 4.534 1.00 0.00 C ATOM 858 OE1 GLN A 49 0.967 -0.645 4.550 1.00 0.00 O ATOM 859 NE2 GLN A 49 -0.757 -1.763 5.453 1.00 0.00 N ATOM 0 H GLN A 49 -2.893 3.338 2.611 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.600 1.715 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.712 1.481 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.422 1.112 4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.072 -1.046 3.466 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.687 -0.641 2.472 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.746 -2.006 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.180 -2.129 6.210 1.00 0.00 H new ATOM 868 N MET A 50 -2.114 0.208 0.479 1.00 0.00 N ATOM 869 CA MET A 50 -2.981 -0.522 -0.437 1.00 0.00 C ATOM 870 C MET A 50 -2.566 -1.989 -0.498 1.00 0.00 C ATOM 871 O MET A 50 -1.491 -2.318 -1.000 1.00 0.00 O ATOM 872 CB MET A 50 -2.925 0.097 -1.835 1.00 0.00 C ATOM 873 CG MET A 50 -3.923 -0.505 -2.810 1.00 0.00 C ATOM 874 SD MET A 50 -3.226 -0.756 -4.454 1.00 0.00 S ATOM 875 CE MET A 50 -2.635 0.891 -4.828 1.00 0.00 C ATOM 0 H MET A 50 -1.122 -0.010 0.381 1.00 0.00 H new ATOM 0 HA MET A 50 -4.005 -0.459 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.109 1.168 -1.756 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.919 -0.025 -2.237 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.275 -1.460 -2.420 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.792 0.149 -2.884 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.038 0.865 -5.740 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.485 1.559 -4.969 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.022 1.254 -4.003 1.00 0.00 H new ATOM 885 N GLU A 51 -3.415 -2.865 0.025 1.00 0.00 N ATOM 886 CA GLU A 51 -3.124 -4.296 0.037 1.00 0.00 C ATOM 887 C GLU A 51 -3.905 -5.035 -1.045 1.00 0.00 C ATOM 888 O GLU A 51 -5.090 -4.777 -1.257 1.00 0.00 O ATOM 889 CB GLU A 51 -3.442 -4.888 1.413 1.00 0.00 C ATOM 890 CG GLU A 51 -2.879 -6.284 1.619 1.00 0.00 C ATOM 891 CD GLU A 51 -2.314 -6.484 3.012 1.00 0.00 C ATOM 892 OE1 GLU A 51 -2.812 -5.834 3.954 1.00 0.00 O ATOM 893 OE2 GLU A 51 -1.370 -7.291 3.159 1.00 0.00 O ATOM 0 H GLU A 51 -4.309 -2.612 0.446 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.062 -4.422 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.045 -4.228 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.524 -4.918 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.664 -7.019 1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.096 -6.469 0.883 1.00 0.00 H new ATOM 900 N LEU A 52 -3.230 -5.957 -1.725 1.00 0.00 N ATOM 901 CA LEU A 52 -3.851 -6.743 -2.785 1.00 0.00 C ATOM 902 C LEU A 52 -3.506 -8.222 -2.636 1.00 0.00 C ATOM 903 O LEU A 52 -2.333 -8.590 -2.580 1.00 0.00 O ATOM 904 CB LEU A 52 -3.387 -6.246 -4.157 1.00 0.00 C ATOM 905 CG LEU A 52 -3.906 -4.863 -4.560 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.806 -4.053 -5.228 1.00 0.00 C ATOM 907 CD2 LEU A 52 -5.107 -4.996 -5.484 1.00 0.00 C ATOM 0 H LEU A 52 -2.248 -6.178 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.931 -6.623 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.297 -6.225 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.700 -6.968 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.220 -4.336 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.194 -3.073 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.973 -3.930 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.461 -4.575 -6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.464 -4.004 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.817 -5.541 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.902 -5.538 -4.972 1.00 0.00 H new ATOM 919 N HIS A 53 -4.531 -9.068 -2.572 1.00 0.00 N ATOM 920 CA HIS A 53 -4.321 -10.503 -2.431 1.00 0.00 C ATOM 921 C HIS A 53 -5.296 -11.290 -3.305 1.00 0.00 C ATOM 922 O HIS A 53 -6.491 -10.994 -3.333 1.00 0.00 O ATOM 923 CB HIS A 53 -4.478 -10.921 -0.969 1.00 0.00 C ATOM 924 CG HIS A 53 -3.400 -10.392 -0.075 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.520 -11.206 0.608 1.00 0.00 N ATOM 926 CD2 HIS A 53 -3.060 -9.121 0.245 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.687 -10.457 1.311 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.993 -9.190 1.107 1.00 0.00 N ATOM 0 H HIS A 53 -5.510 -8.785 -2.615 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.307 -10.728 -2.761 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.445 -10.575 -0.603 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.486 -12.009 -0.910 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.539 -8.221 -0.111 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.891 -10.821 1.944 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.514 -8.391 1.522 1.00 0.00 H new ATOM 937 N PRO A 54 -4.802 -12.310 -4.030 1.00 0.00 N ATOM 938 CA PRO A 54 -5.641 -13.136 -4.902 1.00 0.00 C ATOM 939 C PRO A 54 -6.880 -13.661 -4.183 1.00 0.00 C ATOM 940 O PRO A 54 -7.899 -13.951 -4.810 1.00 0.00 O ATOM 941 CB PRO A 54 -4.720 -14.293 -5.291 1.00 0.00 C ATOM 942 CG PRO A 54 -3.346 -13.731 -5.186 1.00 0.00 C ATOM 943 CD PRO A 54 -3.389 -12.738 -4.056 1.00 0.00 C ATOM 0 HA PRO A 54 -6.022 -12.573 -5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.852 -15.146 -4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.929 -14.643 -6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.617 -14.517 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.049 -13.249 -6.118 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.089 -13.191 -3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.718 -11.898 -4.234 1.00 0.00 H new ATOM 951 N ASP A 55 -6.784 -13.780 -2.863 1.00 0.00 N ATOM 952 CA ASP A 55 -7.895 -14.268 -2.056 1.00 0.00 C ATOM 953 C ASP A 55 -8.649 -13.110 -1.405 1.00 0.00 C ATOM 954 O ASP A 55 -9.842 -13.216 -1.122 1.00 0.00 O ATOM 955 CB ASP A 55 -7.387 -15.229 -0.981 1.00 0.00 C ATOM 956 CG ASP A 55 -6.518 -16.331 -1.554 1.00 0.00 C ATOM 957 OD1 ASP A 55 -7.010 -17.084 -2.420 1.00 0.00 O ATOM 958 OD2 ASP A 55 -5.345 -16.440 -1.139 1.00 0.00 O ATOM 0 H ASP A 55 -5.947 -13.545 -2.329 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.582 -14.799 -2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.818 -14.670 -0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.237 -15.673 -0.463 1.00 0.00 H new ATOM 963 N LYS A 56 -7.946 -12.005 -1.172 1.00 0.00 N ATOM 964 CA LYS A 56 -8.551 -10.831 -0.556 1.00 0.00 C ATOM 965 C LYS A 56 -8.579 -9.657 -1.535 1.00 0.00 C ATOM 966 O LYS A 56 -7.530 -9.198 -1.995 1.00 0.00 O ATOM 967 CB LYS A 56 -7.787 -10.436 0.710 1.00 0.00 C ATOM 968 CG LYS A 56 -7.293 -11.621 1.524 1.00 0.00 C ATOM 969 CD LYS A 56 -8.441 -12.335 2.222 1.00 0.00 C ATOM 970 CE LYS A 56 -7.942 -13.227 3.350 1.00 0.00 C ATOM 971 NZ LYS A 56 -8.470 -14.614 3.238 1.00 0.00 N ATOM 0 H LYS A 56 -6.958 -11.899 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.576 -11.083 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.934 -9.818 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.434 -9.821 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.772 -12.321 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.571 -11.279 2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.139 -11.599 2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.991 -12.936 1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.852 -13.252 3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.241 -12.801 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.205 -15.156 4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.506 -14.585 3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.068 -15.071 2.395 1.00 0.00 H new ATOM 985 N PRO A 57 -9.782 -9.151 -1.874 1.00 0.00 N ATOM 986 CA PRO A 57 -9.932 -8.028 -2.805 1.00 0.00 C ATOM 987 C PRO A 57 -9.028 -6.850 -2.452 1.00 0.00 C ATOM 988 O PRO A 57 -8.312 -6.882 -1.452 1.00 0.00 O ATOM 989 CB PRO A 57 -11.402 -7.637 -2.654 1.00 0.00 C ATOM 990 CG PRO A 57 -12.081 -8.889 -2.224 1.00 0.00 C ATOM 991 CD PRO A 57 -11.085 -9.634 -1.377 1.00 0.00 C ATOM 0 HA PRO A 57 -9.651 -8.304 -3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.528 -6.844 -1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.812 -7.266 -3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.985 -8.667 -1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.383 -9.485 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.216 -9.416 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.185 -10.713 -1.495 1.00 0.00 H new ATOM 999 N PRO A 58 -9.049 -5.788 -3.276 1.00 0.00 N ATOM 1000 CA PRO A 58 -8.227 -4.594 -3.051 1.00 0.00 C ATOM 1001 C PRO A 58 -8.515 -3.941 -1.702 1.00 0.00 C ATOM 1002 O PRO A 58 -9.321 -3.016 -1.610 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.624 -3.653 -4.192 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.224 -4.535 -5.235 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.873 -5.667 -4.492 1.00 0.00 C ATOM 0 HA PRO A 58 -7.164 -4.835 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.338 -2.902 -3.853 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.758 -3.117 -4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.954 -3.991 -5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.461 -4.904 -5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.914 -5.448 -4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.867 -6.588 -5.076 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.848 -4.424 -0.661 1.00 0.00 N ATOM 1014 CA ILE A 59 -8.030 -3.882 0.679 1.00 0.00 C ATOM 1015 C ILE A 59 -7.408 -2.493 0.790 1.00 0.00 C ATOM 1016 O ILE A 59 -6.192 -2.353 0.925 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.417 -4.810 1.748 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -8.148 -6.153 1.760 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.469 -4.164 3.125 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.315 -7.287 2.311 1.00 0.00 C ATOM 0 H ILE A 59 -7.177 -5.190 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.103 -3.809 0.857 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.370 -4.980 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.057 -6.058 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.456 -6.399 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.031 -4.839 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.908 -3.230 3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.506 -3.960 3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.896 -8.209 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.419 -7.409 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.029 -7.062 3.338 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.254 -1.473 0.723 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.799 -0.089 0.808 1.00 0.00 C ATOM 1034 C LEU A 60 -7.516 0.308 2.253 1.00 0.00 C ATOM 1035 O LEU A 60 -8.208 -0.127 3.174 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.851 0.847 0.203 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.584 1.297 -1.238 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.982 0.167 -2.063 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -9.870 1.796 -1.880 1.00 0.00 C ATOM 0 H LEU A 60 -9.262 -1.578 0.610 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.871 -0.001 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.819 0.347 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.929 1.733 0.833 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.863 2.114 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.803 0.515 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.039 -0.147 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.673 -0.676 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.667 2.113 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.608 0.994 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.258 2.640 -1.309 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.499 1.141 2.444 1.00 0.00 N ATOM 1052 CA LEU A 61 -6.128 1.604 3.775 1.00 0.00 C ATOM 1053 C LEU A 61 -5.601 3.034 3.728 1.00 0.00 C ATOM 1054 O LEU A 61 -5.039 3.467 2.722 1.00 0.00 O ATOM 1055 CB LEU A 61 -5.070 0.683 4.388 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.555 -0.720 4.760 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -4.397 -1.561 5.274 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -6.662 -0.649 5.800 1.00 0.00 C ATOM 0 H LEU A 61 -5.916 1.510 1.692 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.023 1.583 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.244 0.588 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.672 1.161 5.283 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.958 -1.192 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.758 -2.556 5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.635 -1.643 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.968 -1.088 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.992 -1.657 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.287 -0.157 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.502 -0.081 5.399 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.786 3.762 4.824 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.331 5.142 4.912 1.00 0.00 C ATOM 1072 C VAL A 62 -5.126 5.558 6.365 1.00 0.00 C ATOM 1073 O VAL A 62 -5.804 5.061 7.265 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.331 6.107 4.244 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.676 6.064 4.952 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.775 7.521 4.222 1.00 0.00 C ATOM 0 H VAL A 62 -6.249 3.417 5.665 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.379 5.199 4.384 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.482 5.785 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.366 6.752 4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.079 5.052 4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.548 6.356 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.495 8.188 3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.590 7.855 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.841 7.536 3.660 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.187 6.472 6.589 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.895 6.951 7.934 1.00 0.00 C ATOM 1088 C ALA A 63 -5.087 7.697 8.525 1.00 0.00 C ATOM 1089 O ALA A 63 -5.770 8.447 7.828 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.662 7.842 7.920 1.00 0.00 C ATOM 0 H ALA A 63 -3.616 6.895 5.857 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.696 6.085 8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.455 8.193 8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.807 7.275 7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.839 8.698 7.268 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.331 7.482 9.813 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.441 8.137 10.477 1.00 0.00 C ATOM 1098 C GLY A 64 -7.666 7.248 10.564 1.00 0.00 C ATOM 1099 O GLY A 64 -8.256 7.096 11.633 1.00 0.00 O ATOM 0 H GLY A 64 -4.779 6.865 10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.137 8.432 11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.695 9.050 9.939 1.00 0.00 H new ATOM 1103 N LYS A 65 -8.044 6.659 9.437 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.202 5.777 9.386 1.00 0.00 C ATOM 1105 C LYS A 65 -8.803 4.343 9.716 1.00 0.00 C ATOM 1106 O LYS A 65 -9.255 3.774 10.710 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.851 5.836 8.001 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.232 6.471 8.000 1.00 0.00 C ATOM 1109 CD LYS A 65 -12.187 5.734 7.075 1.00 0.00 C ATOM 1110 CE LYS A 65 -13.126 4.825 7.850 1.00 0.00 C ATOM 1111 NZ LYS A 65 -12.402 4.025 8.877 1.00 0.00 N ATOM 0 H LYS A 65 -7.564 6.777 8.545 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.923 6.115 10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.202 6.398 7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.925 4.825 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.634 6.471 9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.154 7.512 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.769 6.456 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.617 5.143 6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.896 5.426 8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.634 4.153 7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.969 3.191 9.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.485 3.717 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.246 4.608 9.724 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.949 3.766 8.875 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.482 2.399 9.075 1.00 0.00 C ATOM 1127 C ASP A 66 -6.082 2.388 9.680 1.00 0.00 C ATOM 1128 O ASP A 66 -5.162 1.780 9.133 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.487 1.641 7.749 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.852 1.068 7.414 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.547 0.610 8.344 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -9.223 1.078 6.221 1.00 0.00 O ATOM 0 H ASP A 66 -7.567 4.225 8.048 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.160 1.904 9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.171 2.311 6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.758 0.832 7.793 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.926 3.066 10.812 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.637 3.134 11.490 1.00 0.00 C ATOM 1139 C ASP A 67 -4.279 1.790 12.119 1.00 0.00 C ATOM 1140 O ASP A 67 -3.104 1.468 12.289 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.659 4.227 12.562 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.816 5.428 12.179 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.790 5.238 11.492 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -4.181 6.557 12.568 1.00 0.00 O ATOM 0 H ASP A 67 -6.676 3.576 11.279 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.876 3.378 10.749 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.687 4.547 12.730 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.295 3.816 13.504 1.00 0.00 H new ATOM 1149 N MET A 68 -5.300 1.010 12.463 1.00 0.00 N ATOM 1150 CA MET A 68 -5.089 -0.297 13.073 1.00 0.00 C ATOM 1151 C MET A 68 -4.859 -1.366 12.009 1.00 0.00 C ATOM 1152 O MET A 68 -4.173 -2.359 12.251 1.00 0.00 O ATOM 1153 CB MET A 68 -6.289 -0.676 13.943 1.00 0.00 C ATOM 1154 CG MET A 68 -6.627 0.362 15.001 1.00 0.00 C ATOM 1155 SD MET A 68 -7.705 -0.288 16.291 1.00 0.00 S ATOM 1156 CE MET A 68 -6.536 -1.231 17.267 1.00 0.00 C ATOM 0 H MET A 68 -6.280 1.261 12.330 1.00 0.00 H new ATOM 0 HA MET A 68 -4.199 -0.238 13.699 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.158 -0.826 13.303 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.086 -1.628 14.433 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.705 0.728 15.453 1.00 0.00 H new ATOM 0 HG3 MET A 68 -7.110 1.216 14.526 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.998 -1.517 18.212 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.245 -2.127 16.720 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.653 -0.623 17.464 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.439 -1.157 10.831 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.297 -2.105 9.733 1.00 0.00 C ATOM 1168 C GLU A 69 -4.048 -1.806 8.907 1.00 0.00 C ATOM 1169 O GLU A 69 -3.321 -2.718 8.515 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.538 -2.067 8.838 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.717 -2.844 9.399 1.00 0.00 C ATOM 1172 CD GLU A 69 -8.469 -2.073 10.465 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -9.175 -1.104 10.114 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -8.352 -2.438 11.655 1.00 0.00 O ATOM 0 H GLU A 69 -6.011 -0.341 10.613 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.194 -3.103 10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.836 -1.029 8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.281 -2.470 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.400 -3.096 8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.361 -3.784 9.819 1.00 0.00 H new ATOM 1181 N MET A 70 -3.808 -0.525 8.647 1.00 0.00 N ATOM 1182 CA MET A 70 -2.647 -0.107 7.867 1.00 0.00 C ATOM 1183 C MET A 70 -1.351 -0.603 8.503 1.00 0.00 C ATOM 1184 O MET A 70 -1.371 -1.455 9.393 1.00 0.00 O ATOM 1185 CB MET A 70 -2.621 1.417 7.727 1.00 0.00 C ATOM 1186 CG MET A 70 -2.133 2.147 8.971 1.00 0.00 C ATOM 1187 SD MET A 70 -2.159 3.942 8.789 1.00 0.00 S ATOM 1188 CE MET A 70 -1.820 4.126 7.038 1.00 0.00 C ATOM 0 H MET A 70 -4.401 0.242 8.964 1.00 0.00 H new ATOM 0 HA MET A 70 -2.729 -0.551 6.875 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.979 1.683 6.887 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.625 1.766 7.484 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.756 1.864 9.820 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.117 1.825 9.200 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.577 5.166 6.822 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.977 3.492 6.762 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.699 3.832 6.464 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.228 -0.066 8.042 1.00 0.00 N ATOM 1199 CA CYS A 71 1.076 -0.455 8.565 1.00 0.00 C ATOM 1200 C CYS A 71 1.387 0.279 9.864 1.00 0.00 C ATOM 1201 O CYS A 71 1.727 1.462 9.853 1.00 0.00 O ATOM 1202 CB CYS A 71 2.169 -0.169 7.537 1.00 0.00 C ATOM 1203 SG CYS A 71 3.759 -0.931 7.928 1.00 0.00 S ATOM 0 H CYS A 71 -0.194 0.640 7.307 1.00 0.00 H new ATOM 0 HA CYS A 71 1.047 -1.525 8.770 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.838 -0.523 6.561 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.304 0.909 7.456 1.00 0.00 H new ATOM 0 HG CYS A 71 4.546 -0.044 8.459 1.00 0.00 H new ATOM 1209 N GLU A 72 1.275 -0.430 10.982 1.00 0.00 N ATOM 1210 CA GLU A 72 1.551 0.156 12.289 1.00 0.00 C ATOM 1211 C GLU A 72 3.053 0.346 12.496 1.00 0.00 C ATOM 1212 O GLU A 72 3.477 1.109 13.364 1.00 0.00 O ATOM 1213 CB GLU A 72 0.980 -0.730 13.400 1.00 0.00 C ATOM 1214 CG GLU A 72 -0.412 -0.317 13.852 1.00 0.00 C ATOM 1215 CD GLU A 72 -0.383 0.781 14.897 1.00 0.00 C ATOM 1216 OE1 GLU A 72 0.213 1.845 14.625 1.00 0.00 O ATOM 1217 OE2 GLU A 72 -0.957 0.577 15.987 1.00 0.00 O ATOM 0 H GLU A 72 0.995 -1.411 11.010 1.00 0.00 H new ATOM 0 HA GLU A 72 1.070 1.133 12.329 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.948 -1.762 13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.654 -0.704 14.256 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.984 0.023 12.989 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.931 -1.186 14.257 1.00 0.00 H new ATOM 1224 N LYS A 73 3.853 -0.351 11.693 1.00 0.00 N ATOM 1225 CA LYS A 73 5.305 -0.260 11.790 1.00 0.00 C ATOM 1226 C LYS A 73 5.820 1.007 11.115 1.00 0.00 C ATOM 1227 O LYS A 73 5.049 1.772 10.535 1.00 0.00 O ATOM 1228 CB LYS A 73 5.952 -1.490 11.151 1.00 0.00 C ATOM 1229 CG LYS A 73 6.036 -2.688 12.082 1.00 0.00 C ATOM 1230 CD LYS A 73 4.778 -3.539 12.009 1.00 0.00 C ATOM 1231 CE LYS A 73 4.712 -4.535 13.155 1.00 0.00 C ATOM 1232 NZ LYS A 73 4.517 -3.858 14.467 1.00 0.00 N ATOM 0 H LYS A 73 3.519 -0.985 10.968 1.00 0.00 H new ATOM 0 HA LYS A 73 5.573 -0.219 12.846 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.383 -1.769 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.956 -1.229 10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.903 -3.294 11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.186 -2.345 13.106 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.899 -2.894 12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.754 -4.073 11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.894 -5.234 12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.631 -5.120 13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.193 -4.552 15.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.417 -3.442 14.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.805 -3.107 14.368 1.00 0.00 H new ATOM 1246 N ASN A 74 7.130 1.223 11.195 1.00 0.00 N ATOM 1247 CA ASN A 74 7.753 2.395 10.591 1.00 0.00 C ATOM 1248 C ASN A 74 8.511 2.014 9.320 1.00 0.00 C ATOM 1249 O ASN A 74 8.435 0.874 8.861 1.00 0.00 O ATOM 1250 CB ASN A 74 8.697 3.066 11.592 1.00 0.00 C ATOM 1251 CG ASN A 74 7.952 3.730 12.737 1.00 0.00 C ATOM 1252 OD1 ASN A 74 7.442 3.057 13.632 1.00 0.00 O ATOM 1253 ND2 ASN A 74 7.884 5.060 12.713 1.00 0.00 N ATOM 0 H ASN A 74 7.781 0.600 11.673 1.00 0.00 H new ATOM 0 HA ASN A 74 6.967 3.100 10.320 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.385 2.322 11.993 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.300 3.812 11.074 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.395 5.559 13.456 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.321 5.579 11.952 1.00 0.00 H new ATOM 1260 N LEU A 75 9.231 2.977 8.752 1.00 0.00 N ATOM 1261 CA LEU A 75 9.994 2.750 7.527 1.00 0.00 C ATOM 1262 C LEU A 75 10.953 1.568 7.668 1.00 0.00 C ATOM 1263 O LEU A 75 10.956 0.659 6.842 1.00 0.00 O ATOM 1264 CB LEU A 75 10.775 4.010 7.155 1.00 0.00 C ATOM 1265 CG LEU A 75 11.134 4.140 5.674 1.00 0.00 C ATOM 1266 CD1 LEU A 75 12.052 3.006 5.247 1.00 0.00 C ATOM 1267 CD2 LEU A 75 9.874 4.159 4.822 1.00 0.00 C ATOM 0 H LEU A 75 9.303 3.925 9.121 1.00 0.00 H new ATOM 0 HA LEU A 75 9.284 2.512 6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.189 4.881 7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.695 4.033 7.739 1.00 0.00 H new ATOM 0 HG LEU A 75 11.662 5.082 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.297 3.114 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.968 3.037 5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.550 2.052 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.147 4.252 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.319 3.233 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.252 5.006 5.112 1.00 0.00 H new ATOM 1279 N GLU A 76 11.779 1.598 8.707 1.00 0.00 N ATOM 1280 CA GLU A 76 12.753 0.535 8.941 1.00 0.00 C ATOM 1281 C GLU A 76 12.081 -0.759 9.404 1.00 0.00 C ATOM 1282 O GLU A 76 12.297 -1.824 8.827 1.00 0.00 O ATOM 1283 CB GLU A 76 13.783 0.983 9.979 1.00 0.00 C ATOM 1284 CG GLU A 76 14.876 -0.042 10.233 1.00 0.00 C ATOM 1285 CD GLU A 76 15.940 0.464 11.186 1.00 0.00 C ATOM 1286 OE1 GLU A 76 16.894 1.120 10.717 1.00 0.00 O ATOM 1287 OE2 GLU A 76 15.820 0.204 12.402 1.00 0.00 O ATOM 0 H GLU A 76 11.795 2.345 9.401 1.00 0.00 H new ATOM 0 HA GLU A 76 13.252 0.333 7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.240 1.915 9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.271 1.197 10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.430 -0.949 10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.342 -0.313 9.286 1.00 0.00 H new ATOM 1294 N GLU A 77 11.292 -0.657 10.468 1.00 0.00 N ATOM 1295 CA GLU A 77 10.607 -1.812 11.047 1.00 0.00 C ATOM 1296 C GLU A 77 9.850 -2.635 10.002 1.00 0.00 C ATOM 1297 O GLU A 77 9.817 -3.863 10.083 1.00 0.00 O ATOM 1298 CB GLU A 77 9.639 -1.354 12.139 1.00 0.00 C ATOM 1299 CG GLU A 77 9.396 -2.399 13.215 1.00 0.00 C ATOM 1300 CD GLU A 77 10.534 -2.484 14.213 1.00 0.00 C ATOM 1301 OE1 GLU A 77 11.703 -2.533 13.777 1.00 0.00 O ATOM 1302 OE2 GLU A 77 10.255 -2.504 15.430 1.00 0.00 O ATOM 0 H GLU A 77 11.109 0.222 10.952 1.00 0.00 H new ATOM 0 HA GLU A 77 11.376 -2.456 11.473 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.031 -0.450 12.605 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.686 -1.089 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.472 -2.164 13.743 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.256 -3.373 12.746 1.00 0.00 H new ATOM 1309 N THR A 78 9.233 -1.966 9.033 1.00 0.00 N ATOM 1310 CA THR A 78 8.470 -2.658 7.997 1.00 0.00 C ATOM 1311 C THR A 78 9.260 -3.820 7.401 1.00 0.00 C ATOM 1312 O THR A 78 8.844 -4.974 7.488 1.00 0.00 O ATOM 1313 CB THR A 78 8.066 -1.684 6.893 1.00 0.00 C ATOM 1314 OG1 THR A 78 9.100 -0.754 6.641 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.813 -0.904 7.213 1.00 0.00 C ATOM 0 H THR A 78 9.245 -0.950 8.942 1.00 0.00 H new ATOM 0 HA THR A 78 7.573 -3.063 8.465 1.00 0.00 H new ATOM 0 HB THR A 78 7.873 -2.304 6.018 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.999 0.017 7.238 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.583 -0.231 6.387 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.983 -1.594 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.968 -0.323 8.122 1.00 0.00 H new ATOM 1323 N GLY A 79 10.399 -3.508 6.792 1.00 0.00 N ATOM 1324 CA GLY A 79 11.222 -4.543 6.190 1.00 0.00 C ATOM 1325 C GLY A 79 11.523 -4.275 4.729 1.00 0.00 C ATOM 1326 O GLY A 79 12.562 -4.694 4.217 1.00 0.00 O ATOM 0 H GLY A 79 10.767 -2.561 6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.159 -4.623 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.715 -5.504 6.282 1.00 0.00 H new ATOM 1330 N LEU A 80 10.616 -3.573 4.053 1.00 0.00 N ATOM 1331 CA LEU A 80 10.797 -3.249 2.640 1.00 0.00 C ATOM 1332 C LEU A 80 12.184 -2.668 2.393 1.00 0.00 C ATOM 1333 O LEU A 80 12.875 -3.055 1.450 1.00 0.00 O ATOM 1334 CB LEU A 80 9.733 -2.252 2.180 1.00 0.00 C ATOM 1335 CG LEU A 80 8.291 -2.642 2.508 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.541 -1.461 3.105 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.580 -3.153 1.263 1.00 0.00 C ATOM 0 H LEU A 80 9.750 -3.218 4.460 1.00 0.00 H new ATOM 0 HA LEU A 80 10.694 -4.171 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.943 -1.284 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.821 -2.123 1.101 1.00 0.00 H new ATOM 0 HG LEU A 80 8.311 -3.444 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.517 -1.757 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.037 -1.140 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.531 -0.638 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.555 -3.426 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.571 -2.372 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.104 -4.028 0.878 1.00 0.00 H new ATOM 1349 N THR A 81 12.584 -1.741 3.254 1.00 0.00 N ATOM 1350 CA THR A 81 13.890 -1.105 3.142 1.00 0.00 C ATOM 1351 C THR A 81 14.988 -2.058 3.601 1.00 0.00 C ATOM 1352 O THR A 81 16.107 -2.028 3.085 1.00 0.00 O ATOM 1353 CB THR A 81 13.931 0.181 3.969 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.021 0.110 5.052 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.596 1.419 3.167 1.00 0.00 C ATOM 0 H THR A 81 12.021 -1.412 4.039 1.00 0.00 H new ATOM 0 HA THR A 81 14.060 -0.853 2.095 1.00 0.00 H new ATOM 0 HB THR A 81 14.959 0.265 4.322 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.360 0.645 5.800 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.643 2.295 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.312 1.530 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.591 1.325 2.756 1.00 0.00 H new ATOM 1363 N ARG A 82 14.658 -2.908 4.568 1.00 0.00 N ATOM 1364 CA ARG A 82 15.612 -3.877 5.092 1.00 0.00 C ATOM 1365 C ARG A 82 16.056 -4.836 3.994 1.00 0.00 C ATOM 1366 O ARG A 82 17.191 -5.311 3.990 1.00 0.00 O ATOM 1367 CB ARG A 82 14.990 -4.659 6.251 1.00 0.00 C ATOM 1368 CG ARG A 82 14.935 -3.880 7.554 1.00 0.00 C ATOM 1369 CD ARG A 82 15.738 -4.563 8.651 1.00 0.00 C ATOM 1370 NE ARG A 82 15.185 -5.869 8.999 1.00 0.00 N ATOM 1371 CZ ARG A 82 15.873 -6.823 9.624 1.00 0.00 C ATOM 1372 NH1 ARG A 82 17.139 -6.623 9.969 1.00 0.00 N ATOM 1373 NH2 ARG A 82 15.293 -7.983 9.902 1.00 0.00 N ATOM 0 H ARG A 82 13.737 -2.945 5.004 1.00 0.00 H new ATOM 0 HA ARG A 82 16.486 -3.338 5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.979 -4.959 5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.562 -5.574 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.321 -2.873 7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.898 -3.776 7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.771 -4.682 8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.755 -3.928 9.537 1.00 0.00 H new ATOM 0 HE ARG A 82 14.215 -6.062 8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.591 -5.734 9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.659 -7.358 10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.321 -8.144 9.637 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.819 -8.714 10.381 1.00 0.00 H new ATOM 1387 N LYS A 83 15.151 -5.113 3.060 1.00 0.00 N ATOM 1388 CA LYS A 83 15.445 -6.011 1.952 1.00 0.00 C ATOM 1389 C LYS A 83 16.099 -5.250 0.802 1.00 0.00 C ATOM 1390 O LYS A 83 16.401 -4.064 0.925 1.00 0.00 O ATOM 1391 CB LYS A 83 14.165 -6.697 1.469 1.00 0.00 C ATOM 1392 CG LYS A 83 13.117 -5.732 0.936 1.00 0.00 C ATOM 1393 CD LYS A 83 12.141 -6.430 -0.002 1.00 0.00 C ATOM 1394 CE LYS A 83 11.463 -7.612 0.673 1.00 0.00 C ATOM 1395 NZ LYS A 83 12.352 -8.806 0.732 1.00 0.00 N ATOM 0 H LYS A 83 14.207 -4.727 3.050 1.00 0.00 H new ATOM 0 HA LYS A 83 16.141 -6.772 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.420 -7.411 0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.736 -7.267 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.570 -5.291 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.608 -4.914 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.386 -5.719 -0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.671 -6.773 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.166 -7.331 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.552 -7.865 0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.790 -9.666 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.087 -8.728 0.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.801 -8.859 1.669 1.00 0.00 H new ATOM 1409 N ARG A 84 16.316 -5.939 -0.313 1.00 0.00 N ATOM 1410 CA ARG A 84 16.938 -5.322 -1.480 1.00 0.00 C ATOM 1411 C ARG A 84 15.898 -4.986 -2.544 1.00 0.00 C ATOM 1412 O ARG A 84 15.212 -5.868 -3.059 1.00 0.00 O ATOM 1413 CB ARG A 84 18.003 -6.252 -2.066 1.00 0.00 C ATOM 1414 CG ARG A 84 19.387 -6.043 -1.472 1.00 0.00 C ATOM 1415 CD ARG A 84 19.367 -6.158 0.043 1.00 0.00 C ATOM 1416 NE ARG A 84 20.667 -5.850 0.635 1.00 0.00 N ATOM 1417 CZ ARG A 84 20.840 -5.526 1.915 1.00 0.00 C ATOM 1418 NH1 ARG A 84 19.801 -5.467 2.740 1.00 0.00 N ATOM 1419 NH2 ARG A 84 22.057 -5.260 2.372 1.00 0.00 N ATOM 0 H ARG A 84 16.072 -6.922 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 84 17.410 -4.394 -1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.699 -7.286 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 84 18.053 -6.100 -3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 84 20.076 -6.780 -1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 84 19.762 -5.060 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.615 -5.480 0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.071 -7.168 0.326 1.00 0.00 H new ATOM 0 HE ARG A 84 21.490 -5.885 0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.863 -5.671 2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.941 -5.218 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 84 22.859 -5.304 1.743 1.00 0.00 H new ATOM 0 HH22 ARG A 84 22.191 -5.012 3.352 1.00 0.00 H new ATOM 1433 N GLY A 85 15.792 -3.700 -2.870 1.00 0.00 N ATOM 1434 CA GLY A 85 14.838 -3.263 -3.872 1.00 0.00 C ATOM 1435 C GLY A 85 13.404 -3.584 -3.496 1.00 0.00 C ATOM 1436 O GLY A 85 12.865 -4.613 -3.903 1.00 0.00 O ATOM 0 H GLY A 85 16.351 -2.953 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.939 -2.188 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.074 -3.738 -4.824 1.00 0.00 H new ATOM 1440 N ALA A 86 12.785 -2.700 -2.720 1.00 0.00 N ATOM 1441 CA ALA A 86 11.405 -2.895 -2.293 1.00 0.00 C ATOM 1442 C ALA A 86 10.569 -1.640 -2.533 1.00 0.00 C ATOM 1443 O ALA A 86 9.510 -1.468 -1.932 1.00 0.00 O ATOM 1444 CB ALA A 86 11.361 -3.284 -0.822 1.00 0.00 C ATOM 0 H ALA A 86 13.217 -1.843 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 86 10.978 -3.702 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.325 -3.427 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.915 -4.211 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.812 -2.493 -0.223 1.00 0.00 H new ATOM 1450 N GLU A 87 11.048 -0.765 -3.416 1.00 0.00 N ATOM 1451 CA GLU A 87 10.338 0.471 -3.727 1.00 0.00 C ATOM 1452 C GLU A 87 9.551 0.344 -5.028 1.00 0.00 C ATOM 1453 O GLU A 87 9.830 -0.525 -5.855 1.00 0.00 O ATOM 1454 CB GLU A 87 11.320 1.640 -3.822 1.00 0.00 C ATOM 1455 CG GLU A 87 11.970 1.998 -2.496 1.00 0.00 C ATOM 1456 CD GLU A 87 13.212 2.852 -2.666 1.00 0.00 C ATOM 1457 OE1 GLU A 87 14.235 2.322 -3.147 1.00 0.00 O ATOM 1458 OE2 GLU A 87 13.160 4.050 -2.317 1.00 0.00 O ATOM 0 H GLU A 87 11.922 -0.890 -3.926 1.00 0.00 H new ATOM 0 HA GLU A 87 9.632 0.662 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.099 1.392 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.795 2.514 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.250 2.531 -1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.233 1.083 -1.966 1.00 0.00 H new ATOM 1465 N ILE A 88 8.564 1.219 -5.201 1.00 0.00 N ATOM 1466 CA ILE A 88 7.732 1.212 -6.401 1.00 0.00 C ATOM 1467 C ILE A 88 7.473 2.631 -6.896 1.00 0.00 C ATOM 1468 O ILE A 88 7.850 3.606 -6.246 1.00 0.00 O ATOM 1469 CB ILE A 88 6.376 0.526 -6.148 1.00 0.00 C ATOM 1470 CG1 ILE A 88 5.772 0.998 -4.822 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.532 -0.987 -6.159 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.423 1.662 -4.979 1.00 0.00 C ATOM 0 H ILE A 88 8.321 1.943 -4.525 1.00 0.00 H new ATOM 0 HA ILE A 88 8.281 0.652 -7.158 1.00 0.00 H new ATOM 0 HB ILE A 88 5.695 0.805 -6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.672 0.144 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.460 1.697 -4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.564 -1.454 -5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.914 -1.306 -7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.230 -1.286 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.054 1.971 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.520 2.536 -5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.721 0.958 -5.426 1.00 0.00 H new ATOM 1484 N LEU A 89 6.820 2.737 -8.048 1.00 0.00 N ATOM 1485 CA LEU A 89 6.501 4.036 -8.627 1.00 0.00 C ATOM 1486 C LEU A 89 5.063 4.432 -8.296 1.00 0.00 C ATOM 1487 O LEU A 89 4.189 3.574 -8.172 1.00 0.00 O ATOM 1488 CB LEU A 89 6.705 4.011 -10.142 1.00 0.00 C ATOM 1489 CG LEU A 89 6.098 2.802 -10.859 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.191 3.253 -11.992 1.00 0.00 C ATOM 1491 CD2 LEU A 89 7.195 1.889 -11.387 1.00 0.00 C ATOM 0 H LEU A 89 6.502 1.940 -8.599 1.00 0.00 H new ATOM 0 HA LEU A 89 7.174 4.777 -8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.275 4.919 -10.566 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.775 4.038 -10.350 1.00 0.00 H new ATOM 0 HG LEU A 89 5.499 2.242 -10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.769 2.380 -12.490 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.385 3.867 -11.590 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.768 3.836 -12.710 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.745 1.035 -11.894 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.820 2.440 -12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.807 1.537 -10.556 1.00 0.00 H new ATOM 1503 N PRO A 90 4.801 5.741 -8.145 1.00 0.00 N ATOM 1504 CA PRO A 90 3.462 6.244 -7.822 1.00 0.00 C ATOM 1505 C PRO A 90 2.462 6.022 -8.951 1.00 0.00 C ATOM 1506 O PRO A 90 1.253 5.988 -8.722 1.00 0.00 O ATOM 1507 CB PRO A 90 3.685 7.741 -7.592 1.00 0.00 C ATOM 1508 CG PRO A 90 4.928 8.061 -8.347 1.00 0.00 C ATOM 1509 CD PRO A 90 5.785 6.830 -8.270 1.00 0.00 C ATOM 0 HA PRO A 90 3.035 5.726 -6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.840 8.327 -7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.797 7.966 -6.531 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.702 8.315 -9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.439 8.920 -7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.403 6.714 -9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.460 6.862 -7.415 1.00 0.00 H new ATOM 1517 N ARG A 91 2.968 5.875 -10.171 1.00 0.00 N ATOM 1518 CA ARG A 91 2.111 5.662 -11.331 1.00 0.00 C ATOM 1519 C ARG A 91 1.298 4.377 -11.185 1.00 0.00 C ATOM 1520 O ARG A 91 0.069 4.394 -11.278 1.00 0.00 O ATOM 1521 CB ARG A 91 2.952 5.608 -12.608 1.00 0.00 C ATOM 1522 CG ARG A 91 2.466 6.546 -13.701 1.00 0.00 C ATOM 1523 CD ARG A 91 1.389 5.897 -14.556 1.00 0.00 C ATOM 1524 NE ARG A 91 1.797 5.777 -15.954 1.00 0.00 N ATOM 1525 CZ ARG A 91 1.991 6.817 -16.761 1.00 0.00 C ATOM 1526 NH1 ARG A 91 1.819 8.056 -16.315 1.00 0.00 N ATOM 1527 NH2 ARG A 91 2.360 6.620 -18.020 1.00 0.00 N ATOM 0 H ARG A 91 3.966 5.899 -10.382 1.00 0.00 H new ATOM 0 HA ARG A 91 1.417 6.500 -11.396 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.985 5.855 -12.363 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.950 4.587 -12.990 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.074 7.458 -13.251 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.306 6.837 -14.332 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.159 4.908 -14.160 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.474 6.486 -14.495 1.00 0.00 H new ATOM 0 HE ARG A 91 1.942 4.841 -16.333 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.536 8.215 -15.348 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.970 8.848 -16.939 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.495 5.671 -18.369 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.509 7.417 -18.639 1.00 0.00 H new ATOM 1541 N GLN A 92 1.989 3.263 -10.952 1.00 0.00 N ATOM 1542 CA GLN A 92 1.323 1.976 -10.795 1.00 0.00 C ATOM 1543 C GLN A 92 0.550 1.916 -9.480 1.00 0.00 C ATOM 1544 O GLN A 92 -0.518 1.308 -9.402 1.00 0.00 O ATOM 1545 CB GLN A 92 2.341 0.831 -10.882 1.00 0.00 C ATOM 1546 CG GLN A 92 3.215 0.672 -9.644 1.00 0.00 C ATOM 1547 CD GLN A 92 2.953 -0.628 -8.906 1.00 0.00 C ATOM 1548 OE1 GLN A 92 1.689 -1.034 -8.846 1.00 0.00 O flip ATOM 1549 NE2 GLN A 92 3.877 -1.260 -8.396 1.00 0.00 N flip ATOM 0 H GLN A 92 3.005 3.227 -10.868 1.00 0.00 H new ATOM 0 HA GLN A 92 0.606 1.862 -11.608 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.806 -0.102 -11.057 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.983 0.997 -11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.264 0.714 -9.937 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.039 1.510 -8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.833 -0.911 -8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.687 -2.133 -7.903 1.00 0.00 H new ATOM 1558 N PHE A 93 1.093 2.557 -8.448 1.00 0.00 N ATOM 1559 CA PHE A 93 0.448 2.577 -7.142 1.00 0.00 C ATOM 1560 C PHE A 93 -0.903 3.272 -7.226 1.00 0.00 C ATOM 1561 O PHE A 93 -1.925 2.716 -6.820 1.00 0.00 O ATOM 1562 CB PHE A 93 1.337 3.283 -6.115 1.00 0.00 C ATOM 1563 CG PHE A 93 0.740 3.321 -4.736 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.273 4.215 -4.432 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.191 2.463 -3.747 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.825 4.253 -3.166 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.643 2.495 -2.478 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.367 3.391 -2.189 1.00 0.00 C ATOM 0 H PHE A 93 1.975 3.067 -8.492 1.00 0.00 H new ATOM 0 HA PHE A 93 0.293 1.547 -6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.302 2.777 -6.072 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.526 4.303 -6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.636 4.890 -5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.980 1.760 -3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.614 4.956 -2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.004 1.821 -1.715 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.799 3.418 -1.199 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.906 4.487 -7.762 1.00 0.00 N ATOM 1579 CA GLU A 94 -2.139 5.247 -7.908 1.00 0.00 C ATOM 1580 C GLU A 94 -3.032 4.619 -8.973 1.00 0.00 C ATOM 1581 O GLU A 94 -4.245 4.819 -8.973 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.836 6.705 -8.258 1.00 0.00 C ATOM 1583 CG GLU A 94 -2.071 7.666 -7.104 1.00 0.00 C ATOM 1584 CD GLU A 94 -0.786 8.053 -6.396 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.107 8.987 -6.869 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.460 7.421 -5.369 1.00 0.00 O ATOM 0 H GLU A 94 -0.071 4.965 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.668 5.225 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.798 6.785 -8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.457 7.004 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.560 8.565 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.752 7.208 -6.387 1.00 0.00 H new ATOM 1593 N GLU A 95 -2.428 3.842 -9.872 1.00 0.00 N ATOM 1594 CA GLU A 95 -3.180 3.175 -10.924 1.00 0.00 C ATOM 1595 C GLU A 95 -4.195 2.226 -10.304 1.00 0.00 C ATOM 1596 O GLU A 95 -5.383 2.269 -10.625 1.00 0.00 O ATOM 1597 CB GLU A 95 -2.235 2.403 -11.847 1.00 0.00 C ATOM 1598 CG GLU A 95 -2.351 2.802 -13.307 1.00 0.00 C ATOM 1599 CD GLU A 95 -3.772 2.712 -13.828 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -4.545 3.669 -13.613 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -4.112 1.684 -14.450 1.00 0.00 O ATOM 0 H GLU A 95 -1.424 3.662 -9.890 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.704 3.926 -11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.208 2.561 -11.516 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.440 1.337 -11.753 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.987 3.822 -13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.707 2.159 -13.907 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.715 1.385 -9.396 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.576 0.439 -8.708 1.00 0.00 C ATOM 1610 C ILE A 96 -5.475 1.167 -7.720 1.00 0.00 C ATOM 1611 O ILE A 96 -6.638 0.808 -7.533 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.751 -0.614 -7.956 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.652 -1.171 -8.863 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.653 -1.731 -7.449 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -3.156 -1.630 -10.217 1.00 0.00 C ATOM 0 H ILE A 96 -2.734 1.341 -9.121 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.185 -0.062 -9.460 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.278 -0.142 -7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.890 -0.405 -9.009 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.169 -2.009 -8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.053 -2.470 -6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.401 -1.316 -6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.152 -2.207 -8.293 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.322 -2.012 -10.805 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.896 -2.419 -10.082 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.613 -0.789 -10.739 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.925 2.209 -7.103 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.667 3.013 -6.143 1.00 0.00 C ATOM 1629 C TRP A 97 -6.971 3.497 -6.765 1.00 0.00 C ATOM 1630 O TRP A 97 -8.018 3.503 -6.119 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.821 4.210 -5.700 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.271 4.820 -4.407 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.630 6.120 -4.197 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.403 4.156 -3.146 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.981 6.305 -2.881 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.849 5.113 -2.215 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -5.189 2.844 -2.714 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -6.084 4.800 -0.878 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.422 2.533 -1.388 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.866 3.507 -0.483 1.00 0.00 C ATOM 0 H TRP A 97 -3.964 2.515 -7.253 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.898 2.401 -5.271 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.783 3.893 -5.600 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.848 4.971 -6.480 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.637 6.890 -4.954 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.289 7.185 -2.467 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.848 2.087 -3.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.425 5.549 -0.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.259 1.523 -1.043 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.040 3.232 0.547 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.894 3.889 -8.031 1.00 0.00 N ATOM 1652 CA GLU A 98 -8.064 4.364 -8.758 1.00 0.00 C ATOM 1653 C GLU A 98 -8.834 3.195 -9.371 1.00 0.00 C ATOM 1654 O GLU A 98 -10.031 3.300 -9.637 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.645 5.345 -9.854 1.00 0.00 C ATOM 1656 CG GLU A 98 -7.144 6.677 -9.320 1.00 0.00 C ATOM 1657 CD GLU A 98 -7.623 7.854 -10.147 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -7.018 8.120 -11.208 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -8.604 8.510 -9.738 1.00 0.00 O ATOM 0 H GLU A 98 -6.032 3.887 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.718 4.877 -8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.862 4.888 -10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.494 5.524 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.479 6.801 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.054 6.670 -9.302 1.00 0.00 H new ATOM 1666 N ARG A 99 -8.137 2.082 -9.595 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.756 0.896 -10.181 1.00 0.00 C ATOM 1668 C ARG A 99 -9.948 0.432 -9.349 1.00 0.00 C ATOM 1669 O ARG A 99 -11.053 0.270 -9.868 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.736 -0.237 -10.297 1.00 0.00 C ATOM 1671 CG ARG A 99 -6.875 -0.154 -11.549 1.00 0.00 C ATOM 1672 CD ARG A 99 -6.755 -1.505 -12.234 1.00 0.00 C ATOM 1673 NE ARG A 99 -5.767 -1.487 -13.311 1.00 0.00 N ATOM 1674 CZ ARG A 99 -5.999 -0.987 -14.523 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -7.184 -0.464 -14.817 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -5.046 -1.011 -15.443 1.00 0.00 N ATOM 0 H ARG A 99 -7.145 1.978 -9.380 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.110 1.163 -11.177 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.089 -0.224 -9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.263 -1.191 -10.291 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.307 0.569 -12.241 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.882 0.211 -11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.477 -2.261 -11.499 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.725 -1.795 -12.637 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.845 -1.881 -13.123 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.922 -0.444 -14.113 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.356 -0.082 -15.747 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -4.135 -1.413 -15.223 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.224 -0.628 -16.371 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.716 0.216 -8.058 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.774 -0.234 -7.160 1.00 0.00 C ATOM 1692 C CYS A 100 -11.638 0.939 -6.699 1.00 0.00 C ATOM 1693 O CYS A 100 -12.717 1.177 -7.242 1.00 0.00 O ATOM 1694 CB CYS A 100 -10.173 -0.961 -5.953 1.00 0.00 C ATOM 1695 SG CYS A 100 -11.391 -1.488 -4.723 1.00 0.00 S ATOM 0 H CYS A 100 -8.808 0.345 -7.611 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.411 -0.928 -7.707 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.627 -1.836 -6.305 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -9.448 -0.305 -5.472 1.00 0.00 H new ATOM 0 HG CYS A 100 -10.914 -1.294 -3.529 1.00 0.00 H new ATOM 1701 N GLY A 101 -11.160 1.671 -5.695 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.906 2.806 -5.183 1.00 0.00 C ATOM 1703 C GLY A 101 -11.130 3.591 -4.145 1.00 0.00 C ATOM 1704 O GLY A 101 -11.693 4.040 -3.146 1.00 0.00 O ATOM 0 H GLY A 101 -10.270 1.498 -5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.170 3.466 -6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.840 2.455 -4.744 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.832 3.755 -4.380 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.996 4.492 -3.452 1.00 0.00 C ATOM 1710 C GLY A 102 -9.433 5.933 -3.292 1.00 0.00 C ATOM 1711 O GLY A 102 -9.690 6.391 -2.180 1.00 0.00 O ATOM 0 H GLY A 102 -9.344 3.390 -5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.018 4.000 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.963 4.466 -3.800 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.520 6.648 -4.407 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.931 8.049 -4.388 1.00 0.00 C ATOM 1717 C ILE A 103 -11.299 8.212 -3.740 1.00 0.00 C ATOM 1718 O ILE A 103 -11.515 9.128 -2.948 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.980 8.646 -5.808 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.741 8.246 -6.615 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -10.111 10.160 -5.738 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -7.435 8.455 -5.876 1.00 0.00 C ATOM 0 H ILE A 103 -9.312 6.282 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.184 8.584 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.855 8.244 -6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -8.825 7.196 -6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.720 8.822 -7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.145 10.569 -6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.028 10.422 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.255 10.575 -5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.604 8.149 -6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.327 9.509 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.433 7.858 -4.964 1.00 0.00 H new ATOM 1734 N GLN A 104 -12.223 7.321 -4.081 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.571 7.373 -3.529 1.00 0.00 C ATOM 1736 C GLN A 104 -13.548 7.114 -2.026 1.00 0.00 C ATOM 1737 O GLN A 104 -14.136 7.865 -1.248 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.471 6.349 -4.223 1.00 0.00 C ATOM 1739 CG GLN A 104 -15.059 6.846 -5.533 1.00 0.00 C ATOM 1740 CD GLN A 104 -14.016 6.978 -6.626 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -13.815 8.058 -7.182 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -13.345 5.876 -6.940 1.00 0.00 N ATOM 0 H GLN A 104 -12.064 6.555 -4.736 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.972 8.371 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.897 5.442 -4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -15.284 6.076 -3.550 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.839 6.159 -5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.534 7.813 -5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -13.544 5.002 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.631 5.904 -7.668 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.861 6.048 -1.627 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.755 5.693 -0.217 1.00 0.00 C ATOM 1753 C TYR A 105 -12.085 6.816 0.568 1.00 0.00 C ATOM 1754 O TYR A 105 -12.487 7.132 1.688 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.960 4.393 -0.058 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.671 4.022 1.380 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -10.578 4.561 2.048 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -12.487 3.133 2.067 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -10.309 4.226 3.361 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -12.226 2.794 3.381 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.135 3.342 4.023 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.870 3.006 5.331 1.00 0.00 O ATOM 0 H TYR A 105 -12.370 5.416 -2.260 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.760 5.544 0.179 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.514 3.580 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -11.016 4.488 -0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.928 5.253 1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -13.340 2.699 1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -9.456 4.654 3.867 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -12.873 2.104 3.902 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.334 2.186 5.356 1.00 0.00 H new ATOM 1772 N LEU A 106 -11.062 7.417 -0.031 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.334 8.506 0.606 1.00 0.00 C ATOM 1774 C LEU A 106 -11.191 9.765 0.675 1.00 0.00 C ATOM 1775 O LEU A 106 -11.260 10.425 1.709 1.00 0.00 O ATOM 1776 CB LEU A 106 -9.041 8.789 -0.153 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.777 8.700 0.694 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -7.756 9.808 1.734 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.680 7.337 1.359 1.00 0.00 C ATOM 0 H LEU A 106 -10.719 7.167 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.088 8.204 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.959 8.084 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.101 9.786 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.912 8.826 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.847 9.730 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.780 10.776 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.626 9.713 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.772 7.289 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.548 7.182 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.650 6.561 0.595 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.840 10.091 -0.435 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.698 11.271 -0.509 1.00 0.00 C ATOM 1793 C GLN A 107 -13.859 11.165 0.475 1.00 0.00 C ATOM 1794 O GLN A 107 -14.358 12.173 0.973 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.238 11.445 -1.929 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.291 12.192 -2.854 1.00 0.00 C ATOM 1797 CD GLN A 107 -12.874 13.500 -3.354 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -12.600 14.582 -2.635 1.00 0.00 O flip ATOM 1799 NE2 GLN A 107 -13.562 13.536 -4.374 1.00 0.00 N flip ATOM 0 H GLN A 107 -11.790 9.554 -1.301 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.098 12.141 -0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.446 10.462 -2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.187 11.980 -1.885 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.358 12.392 -2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.047 11.558 -3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.747 12.679 -4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.947 14.423 -4.698 1.00 0.00 H new ATOM 1808 N SER A 108 -14.286 9.936 0.746 1.00 0.00 N ATOM 1809 CA SER A 108 -15.392 9.692 1.667 1.00 0.00 C ATOM 1810 C SER A 108 -14.963 9.945 3.107 1.00 0.00 C ATOM 1811 O SER A 108 -15.624 10.680 3.842 1.00 0.00 O ATOM 1812 CB SER A 108 -15.906 8.261 1.515 1.00 0.00 C ATOM 1813 OG SER A 108 -15.002 7.330 2.084 1.00 0.00 O ATOM 0 H SER A 108 -13.882 9.092 0.340 1.00 0.00 H new ATOM 0 HA SER A 108 -16.198 10.384 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 108 -16.879 8.168 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.050 8.034 0.459 1.00 0.00 H new ATOM 0 HG SER A 108 -14.097 7.509 1.754 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.842 9.350 3.499 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.318 9.537 4.845 1.00 0.00 C ATOM 1821 C ALA A 109 -12.827 10.968 4.995 1.00 0.00 C ATOM 1822 O ALA A 109 -12.971 11.593 6.048 1.00 0.00 O ATOM 1823 CB ALA A 109 -12.192 8.550 5.120 1.00 0.00 C ATOM 0 H ALA A 109 -13.282 8.737 2.907 1.00 0.00 H new ATOM 0 HA ALA A 109 -14.109 9.352 5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.812 8.704 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.569 7.532 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.387 8.707 4.402 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.269 11.480 3.906 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.767 12.840 3.855 1.00 0.00 C ATOM 1831 C ILE A 110 -12.893 13.822 4.169 1.00 0.00 C ATOM 1832 O ILE A 110 -12.717 14.768 4.936 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.178 13.135 2.456 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.740 12.628 2.367 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.236 14.617 2.133 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.188 12.618 0.956 1.00 0.00 C ATOM 0 H ILE A 110 -12.153 10.962 3.035 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.979 12.956 4.599 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.785 12.608 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.103 13.253 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.694 11.618 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.814 14.790 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.273 14.953 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.663 15.174 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.163 12.247 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.801 11.970 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.202 13.631 0.553 1.00 0.00 H new ATOM 1848 N GLU A 111 -14.052 13.575 3.569 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.223 14.417 3.777 1.00 0.00 C ATOM 1850 C GLU A 111 -15.721 14.295 5.212 1.00 0.00 C ATOM 1851 O GLU A 111 -16.066 15.289 5.851 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.337 14.022 2.801 1.00 0.00 C ATOM 1853 CG GLU A 111 -16.378 14.866 1.538 1.00 0.00 C ATOM 1854 CD GLU A 111 -15.011 15.043 0.902 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -14.216 15.852 1.422 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -14.739 14.372 -0.116 1.00 0.00 O ATOM 0 H GLU A 111 -14.205 12.794 2.931 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.940 15.453 3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.209 12.976 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.297 14.101 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -17.051 14.401 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.793 15.846 1.775 1.00 0.00 H new ATOM 1863 N SER A 112 -15.754 13.065 5.713 1.00 0.00 N ATOM 1864 CA SER A 112 -16.203 12.799 7.074 1.00 0.00 C ATOM 1865 C SER A 112 -15.170 13.263 8.098 1.00 0.00 C ATOM 1866 O SER A 112 -15.445 13.289 9.297 1.00 0.00 O ATOM 1867 CB SER A 112 -16.484 11.308 7.257 1.00 0.00 C ATOM 1868 OG SER A 112 -17.751 10.957 6.726 1.00 0.00 O ATOM 0 H SER A 112 -15.474 12.233 5.194 1.00 0.00 H new ATOM 0 HA SER A 112 -17.122 13.361 7.238 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.706 10.725 6.764 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.448 11.056 8.317 1.00 0.00 H new ATOM 0 HG SER A 112 -17.905 9.998 6.854 1.00 0.00 H new ATOM 1874 N ARG A 113 -13.978 13.625 7.619 1.00 0.00 N ATOM 1875 CA ARG A 113 -12.897 14.087 8.488 1.00 0.00 C ATOM 1876 C ARG A 113 -12.258 12.920 9.232 1.00 0.00 C ATOM 1877 O ARG A 113 -11.708 13.089 10.321 1.00 0.00 O ATOM 1878 CB ARG A 113 -13.402 15.133 9.487 1.00 0.00 C ATOM 1879 CG ARG A 113 -14.118 16.303 8.833 1.00 0.00 C ATOM 1880 CD ARG A 113 -13.141 17.395 8.431 1.00 0.00 C ATOM 1881 NE ARG A 113 -13.683 18.260 7.386 1.00 0.00 N ATOM 1882 CZ ARG A 113 -12.942 19.074 6.639 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -11.627 19.137 6.816 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -13.516 19.828 5.711 1.00 0.00 N ATOM 0 H ARG A 113 -13.738 13.606 6.628 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.142 14.551 7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.079 14.652 10.193 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.557 15.511 10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.659 15.955 7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.858 16.710 9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.890 17.996 9.305 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -12.214 16.941 8.080 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.689 18.239 7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -11.180 18.559 7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.064 19.763 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -14.525 19.784 5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.948 20.452 5.138 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.325 11.736 8.632 1.00 0.00 N ATOM 1899 CA GLN A 114 -11.744 10.543 9.230 1.00 0.00 C ATOM 1900 C GLN A 114 -10.314 10.344 8.737 1.00 0.00 C ATOM 1901 O GLN A 114 -9.475 9.781 9.439 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.591 9.313 8.897 1.00 0.00 C ATOM 1903 CG GLN A 114 -13.987 9.359 9.493 1.00 0.00 C ATOM 1904 CD GLN A 114 -14.592 7.980 9.666 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -15.261 7.466 8.769 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -14.361 7.373 10.823 1.00 0.00 N ATOM 0 H GLN A 114 -12.777 11.579 7.731 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.726 10.673 10.312 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -12.670 9.219 7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -12.080 8.421 9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -13.949 9.859 10.461 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.633 9.957 8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -13.801 7.836 11.539 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -14.744 6.444 10.997 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.045 10.821 7.523 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.717 10.708 6.934 1.00 0.00 C ATOM 1917 C ALA A 115 -7.810 11.829 7.428 1.00 0.00 C ATOM 1918 O ALA A 115 -7.808 12.929 6.875 1.00 0.00 O ATOM 1919 CB ALA A 115 -8.812 10.733 5.415 1.00 0.00 C ATOM 0 H ALA A 115 -10.731 11.289 6.930 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.283 9.757 7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.813 10.648 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.425 9.898 5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.266 11.671 5.094 1.00 0.00 H new ATOM 1925 N ARG A 116 -7.042 11.545 8.475 1.00 0.00 N ATOM 1926 CA ARG A 116 -6.134 12.534 9.048 1.00 0.00 C ATOM 1927 C ARG A 116 -5.213 13.125 7.979 1.00 0.00 C ATOM 1928 O ARG A 116 -4.428 12.406 7.361 1.00 0.00 O ATOM 1929 CB ARG A 116 -5.300 11.903 10.167 1.00 0.00 C ATOM 1930 CG ARG A 116 -4.333 10.834 9.682 1.00 0.00 C ATOM 1931 CD ARG A 116 -3.666 10.117 10.844 1.00 0.00 C ATOM 1932 NE ARG A 116 -2.214 10.057 10.691 1.00 0.00 N ATOM 1933 CZ ARG A 116 -1.430 9.219 11.363 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -1.951 8.366 12.237 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -0.119 9.231 11.162 1.00 0.00 N ATOM 0 H ARG A 116 -7.030 10.639 8.944 1.00 0.00 H new ATOM 0 HA ARG A 116 -6.737 13.342 9.463 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.737 12.687 10.674 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.972 11.465 10.905 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.868 10.111 9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -3.572 11.291 9.050 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -3.911 10.629 11.775 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -4.064 9.105 10.922 1.00 0.00 H new ATOM 0 HE ARG A 116 -1.775 10.697 10.029 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -2.958 8.351 12.396 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.344 7.726 12.749 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.288 9.883 10.492 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.482 8.588 11.678 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.295 14.450 7.746 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.460 15.129 6.747 1.00 0.00 C ATOM 1951 C PRO A 117 -2.975 14.840 6.947 1.00 0.00 C ATOM 1952 O PRO A 117 -2.278 15.575 7.647 1.00 0.00 O ATOM 1953 CB PRO A 117 -4.756 16.612 6.986 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.110 16.633 7.601 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.201 15.387 8.436 1.00 0.00 C ATOM 0 HA PRO A 117 -4.681 14.797 5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.014 17.062 7.646 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.736 17.175 6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.247 17.524 8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.886 16.649 6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.886 15.568 9.464 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.221 15.004 8.477 1.00 0.00 H new ATOM 1963 N THR A 118 -2.499 13.763 6.330 1.00 0.00 N ATOM 1964 CA THR A 118 -1.097 13.374 6.443 1.00 0.00 C ATOM 1965 C THR A 118 -0.362 13.584 5.123 1.00 0.00 C ATOM 1966 O THR A 118 0.739 14.134 5.096 1.00 0.00 O ATOM 1967 CB THR A 118 -0.985 11.911 6.873 1.00 0.00 C ATOM 1968 OG1 THR A 118 0.370 11.499 6.902 1.00 0.00 O ATOM 1969 CG2 THR A 118 -1.736 10.961 5.965 1.00 0.00 C ATOM 0 H THR A 118 -3.063 13.144 5.747 1.00 0.00 H new ATOM 0 HA THR A 118 -0.633 14.006 7.200 1.00 0.00 H new ATOM 0 HB THR A 118 -1.432 11.867 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.421 10.561 7.181 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.615 9.940 6.327 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.794 11.222 5.961 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.340 11.036 4.952 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.976 13.142 4.029 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.375 13.285 2.708 1.00 0.00 C ATOM 1979 C TYR A 119 -1.305 12.758 1.619 1.00 0.00 C ATOM 1980 O TYR A 119 -1.624 13.470 0.666 1.00 0.00 O ATOM 1981 CB TYR A 119 0.961 12.544 2.647 1.00 0.00 C ATOM 1982 CG TYR A 119 1.759 12.845 1.398 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.338 12.387 0.157 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.930 13.589 1.463 1.00 0.00 C ATOM 1985 CE1 TYR A 119 2.062 12.662 -0.988 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.660 13.868 0.322 1.00 0.00 C ATOM 1987 CZ TYR A 119 3.221 13.403 -0.900 1.00 0.00 C ATOM 1988 OH TYR A 119 3.945 13.679 -2.037 1.00 0.00 O ATOM 0 H TYR A 119 -1.887 12.683 4.032 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.206 14.348 2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.555 12.809 3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.776 11.471 2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.430 11.806 0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.276 13.955 2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.721 12.298 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.569 14.447 0.388 1.00 0.00 H new ATOM 0 HH TYR A 119 4.733 14.212 -1.802 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.734 11.508 1.761 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.623 10.888 0.786 1.00 0.00 C ATOM 2000 C ALA A 120 -3.866 11.740 0.554 1.00 0.00 C ATOM 2001 O ALA A 120 -4.331 11.884 -0.577 1.00 0.00 O ATOM 2002 CB ALA A 120 -3.019 9.492 1.239 1.00 0.00 C ATOM 0 H ALA A 120 -1.480 10.904 2.543 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.083 10.812 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.683 9.044 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.126 8.877 1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.533 9.553 2.198 1.00 0.00 H new ATOM 2008 N THR A 121 -4.400 12.305 1.630 1.00 0.00 N ATOM 2009 CA THR A 121 -5.586 13.143 1.535 1.00 0.00 C ATOM 2010 C THR A 121 -5.260 14.450 0.820 1.00 0.00 C ATOM 2011 O THR A 121 -6.012 14.898 -0.046 1.00 0.00 O ATOM 2012 CB THR A 121 -6.151 13.427 2.926 1.00 0.00 C ATOM 2013 OG1 THR A 121 -5.171 14.031 3.752 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.646 12.184 3.632 1.00 0.00 C ATOM 0 H THR A 121 -4.031 12.198 2.575 1.00 0.00 H new ATOM 0 HA THR A 121 -6.339 12.609 0.956 1.00 0.00 H new ATOM 0 HB THR A 121 -6.996 14.096 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 121 -4.735 13.344 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.034 12.454 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.438 11.722 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.823 11.479 3.749 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.128 15.049 1.176 1.00 0.00 N ATOM 2023 CA ALA A 122 -3.697 16.295 0.553 1.00 0.00 C ATOM 2024 C ALA A 122 -3.548 16.108 -0.951 1.00 0.00 C ATOM 2025 O ALA A 122 -4.199 16.790 -1.747 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.387 16.769 1.167 1.00 0.00 C ATOM 0 H ALA A 122 -3.494 14.692 1.891 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.455 17.057 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.078 17.700 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.525 16.935 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.618 16.011 1.014 1.00 0.00 H new ATOM 2032 N MET A 123 -2.697 15.162 -1.331 1.00 0.00 N ATOM 2033 CA MET A 123 -2.472 14.864 -2.738 1.00 0.00 C ATOM 2034 C MET A 123 -3.794 14.541 -3.421 1.00 0.00 C ATOM 2035 O MET A 123 -3.969 14.809 -4.610 1.00 0.00 O ATOM 2036 CB MET A 123 -1.472 13.715 -2.894 1.00 0.00 C ATOM 2037 CG MET A 123 -1.763 12.522 -2.000 1.00 0.00 C ATOM 2038 SD MET A 123 -2.182 11.037 -2.934 1.00 0.00 S ATOM 2039 CE MET A 123 -3.333 11.706 -4.129 1.00 0.00 C ATOM 0 H MET A 123 -2.153 14.590 -0.685 1.00 0.00 H new ATOM 0 HA MET A 123 -2.043 15.742 -3.220 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.470 13.386 -3.933 1.00 0.00 H new ATOM 0 HB3 MET A 123 -0.471 14.085 -2.675 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.892 12.320 -1.376 1.00 0.00 H new ATOM 0 HG3 MET A 123 -2.586 12.768 -1.329 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.725 10.899 -4.748 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.156 12.195 -3.607 1.00 0.00 H new ATOM 0 HE3 MET A 123 -2.821 12.432 -4.760 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.736 13.984 -2.658 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.048 13.656 -3.198 1.00 0.00 C ATOM 2051 C LEU A 124 -6.796 14.934 -3.551 1.00 0.00 C ATOM 2052 O LEU A 124 -7.327 15.075 -4.654 1.00 0.00 O ATOM 2053 CB LEU A 124 -6.863 12.829 -2.198 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.511 11.574 -2.785 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -6.755 10.327 -2.360 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -8.974 11.481 -2.374 1.00 0.00 C ATOM 0 H LEU A 124 -4.613 13.754 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.909 13.058 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.212 12.534 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.644 13.461 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.465 11.646 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.234 9.447 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -5.725 10.388 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.762 10.250 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.416 10.581 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.045 11.438 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.511 12.357 -2.738 1.00 0.00 H new ATOM 2068 N GLN A 125 -6.816 15.873 -2.609 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.481 17.152 -2.820 1.00 0.00 C ATOM 2070 C GLN A 125 -7.026 17.758 -4.140 1.00 0.00 C ATOM 2071 O GLN A 125 -7.822 18.323 -4.890 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.180 18.114 -1.669 1.00 0.00 C ATOM 2073 CG GLN A 125 -7.702 17.638 -0.324 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.203 17.806 -0.189 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -9.787 18.738 -0.741 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -9.834 16.903 0.552 1.00 0.00 N ATOM 0 H GLN A 125 -6.379 15.771 -1.693 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.557 16.984 -2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.102 18.258 -1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.618 19.086 -1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.444 16.588 -0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.205 18.193 0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.309 16.147 0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -10.844 16.966 0.682 1.00 0.00 H new ATOM 2085 N ASN A 126 -5.735 17.614 -4.423 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.168 18.126 -5.663 1.00 0.00 C ATOM 2087 C ASN A 126 -5.462 17.166 -6.807 1.00 0.00 C ATOM 2088 O ASN A 126 -5.703 17.584 -7.940 1.00 0.00 O ATOM 2089 CB ASN A 126 -3.659 18.331 -5.522 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.313 19.403 -4.506 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -3.469 20.595 -4.768 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -2.840 18.982 -3.339 1.00 0.00 N ATOM 0 H ASN A 126 -5.065 17.148 -3.812 1.00 0.00 H new ATOM 0 HA ASN A 126 -5.627 19.090 -5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.193 17.391 -5.227 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.240 18.604 -6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.590 19.657 -2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.727 17.983 -3.165 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.461 15.873 -6.496 1.00 0.00 N ATOM 2100 CA LEU A 127 -5.746 14.846 -7.484 1.00 0.00 C ATOM 2101 C LEU A 127 -7.121 15.067 -8.109 1.00 0.00 C ATOM 2102 O LEU A 127 -7.410 14.558 -9.192 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.694 13.472 -6.823 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.420 12.303 -7.768 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -3.994 11.804 -7.591 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -6.419 11.184 -7.523 1.00 0.00 C ATOM 0 H LEU A 127 -5.265 15.514 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.995 14.901 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.921 13.486 -6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.643 13.294 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.536 12.646 -8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.813 10.971 -8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.296 12.611 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.850 11.471 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.213 10.357 -8.203 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.332 10.838 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.429 11.554 -7.697 1.00 0.00 H new ATOM 2118 N LEU A 128 -7.969 15.824 -7.415 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.315 16.104 -7.903 1.00 0.00 C ATOM 2120 C LEU A 128 -9.309 17.257 -8.905 1.00 0.00 C ATOM 2121 O LEU A 128 -10.215 17.377 -9.731 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.245 16.434 -6.732 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.330 15.356 -5.651 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -10.690 15.972 -4.308 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -11.343 14.290 -6.039 1.00 0.00 C ATOM 0 H LEU A 128 -7.748 16.252 -6.516 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.681 15.212 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -9.909 17.363 -6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.246 16.615 -7.123 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.352 14.884 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -10.746 15.189 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -9.927 16.697 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -11.655 16.472 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -11.390 13.531 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.325 14.748 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -11.041 13.826 -6.978 1.00 0.00 H new