USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 759 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 GLN : amide:sc= 0.0152 K(o=-0.21,f=-1.4) USER MOD Set 1.2: A 73 SER OG : rot -179:sc= -0.229 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= -0.287! USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 7:sc= 0.00795 USER MOD Single : A 30 SER OG : rot 169:sc= -0.0283 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 37 SER OG : rot 180:sc= -0.692 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN :FLIP amide:sc= 0.598 F(o=-0.043,f=0.6) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 124:sc= 0.16 USER MOD Single : A 56 SER OG : rot 180:sc= -0.222 USER MOD Single : A 61 ASN : amide:sc= -1.52 K(o=-1.5,f=-6.6!) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.41 F(o=-2.4!,f=-1.4) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.00265 X(o=0.0026,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 152:sc= -0.057 (180deg=-0.0911) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.53! C(o=-2.5!,f=-5.4!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 120:sc= 0.00252 USER MOD Single : A 104 GLN : amide:sc= -2.38 K(o=-2.4,f=-3.1!) USER MOD Single : A 107 LYS NZ :NH3+ 166:sc= 0.198 (180deg=0.0591) USER MOD Single : A 110 THR OG1 : rot -169:sc= 0.694 USER MOD Single : A 111 GLN :FLIP amide:sc= -0.952 F(o=-4.1!,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 16 -3.427 22.108 3.600 1.00 0.00 N ATOM 179 CA VAL A 16 -4.091 22.050 2.303 1.00 0.00 C ATOM 180 C VAL A 16 -3.982 20.658 1.691 1.00 0.00 C ATOM 181 O VAL A 16 -4.373 20.440 0.544 1.00 0.00 O ATOM 182 CB VAL A 16 -3.497 23.078 1.322 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.792 24.495 1.789 1.00 0.00 C ATOM 184 CG2 VAL A 16 -1.999 22.860 1.165 1.00 0.00 C ATOM 0 HA VAL A 16 -5.141 22.287 2.474 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.966 22.938 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.364 25.207 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.871 24.643 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.353 24.652 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.595 23.595 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.512 22.972 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.816 21.857 0.780 1.00 0.00 H new ATOM 194 N LEU A 17 -3.449 19.719 2.465 1.00 0.00 N ATOM 195 CA LEU A 17 -3.289 18.345 2.000 1.00 0.00 C ATOM 196 C LEU A 17 -4.539 17.521 2.294 1.00 0.00 C ATOM 197 O LEU A 17 -5.285 17.794 3.235 1.00 0.00 O ATOM 198 CB LEU A 17 -2.071 17.700 2.663 1.00 0.00 C ATOM 199 CG LEU A 17 -0.708 18.097 2.095 1.00 0.00 C ATOM 200 CD1 LEU A 17 -0.648 17.809 0.603 1.00 0.00 C ATOM 201 CD2 LEU A 17 -0.424 19.567 2.369 1.00 0.00 C ATOM 0 H LEU A 17 -3.120 19.883 3.417 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.138 18.368 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.086 17.948 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.172 16.617 2.588 1.00 0.00 H new ATOM 0 HG LEU A 17 0.059 17.501 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.329 18.098 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.806 16.744 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.424 18.378 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.550 19.832 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.194 20.180 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.424 19.743 3.445 1.00 0.00 H new ATOM 213 N PRO A 18 -4.773 16.487 1.473 1.00 0.00 N ATOM 214 CA PRO A 18 -5.930 15.600 1.627 1.00 0.00 C ATOM 215 C PRO A 18 -5.824 14.719 2.866 1.00 0.00 C ATOM 216 O PRO A 18 -4.740 14.254 3.218 1.00 0.00 O ATOM 217 CB PRO A 18 -5.893 14.745 0.357 1.00 0.00 C ATOM 218 CG PRO A 18 -4.465 14.756 -0.065 1.00 0.00 C ATOM 219 CD PRO A 18 -3.926 16.103 0.331 1.00 0.00 C ATOM 0 HA PRO A 18 -6.858 16.158 1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.240 13.730 0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.538 15.159 -0.418 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.908 13.955 0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.375 14.600 -1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.874 16.048 0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.001 16.822 -0.485 1.00 0.00 H new ATOM 227 N SER A 19 -6.957 14.492 3.524 1.00 0.00 N ATOM 228 CA SER A 19 -6.990 13.668 4.727 1.00 0.00 C ATOM 229 C SER A 19 -6.774 12.197 4.384 1.00 0.00 C ATOM 230 O SER A 19 -6.989 11.775 3.248 1.00 0.00 O ATOM 231 CB SER A 19 -8.325 13.843 5.453 1.00 0.00 C ATOM 232 OG SER A 19 -8.211 13.488 6.821 1.00 0.00 O ATOM 0 H SER A 19 -7.863 14.867 3.244 1.00 0.00 H new ATOM 0 HA SER A 19 -6.182 13.993 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.656 14.878 5.369 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.086 13.226 4.976 1.00 0.00 H new ATOM 0 HG SER A 19 -7.271 13.312 7.036 1.00 0.00 H new ATOM 238 N ALA A 20 -6.348 11.421 5.375 1.00 0.00 N ATOM 239 CA ALA A 20 -6.104 9.997 5.180 1.00 0.00 C ATOM 240 C ALA A 20 -7.414 9.235 5.010 1.00 0.00 C ATOM 241 O ALA A 20 -8.426 9.544 5.639 1.00 0.00 O ATOM 242 CB ALA A 20 -5.311 9.433 6.349 1.00 0.00 C ATOM 0 H ALA A 20 -6.165 11.755 6.321 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.521 9.874 4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.136 8.369 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.355 9.951 6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.873 9.574 7.272 1.00 0.00 H new ATOM 248 N PRO A 21 -7.396 8.214 4.140 1.00 0.00 N ATOM 249 CA PRO A 21 -8.575 7.386 3.867 1.00 0.00 C ATOM 250 C PRO A 21 -8.947 6.500 5.050 1.00 0.00 C ATOM 251 O PRO A 21 -8.172 6.351 5.995 1.00 0.00 O ATOM 252 CB PRO A 21 -8.140 6.532 2.674 1.00 0.00 C ATOM 253 CG PRO A 21 -6.655 6.471 2.773 1.00 0.00 C ATOM 254 CD PRO A 21 -6.225 7.789 3.356 1.00 0.00 C ATOM 0 HA PRO A 21 -9.462 7.990 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.581 5.536 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.456 6.979 1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.340 5.642 3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.205 6.312 1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.340 7.681 3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.979 8.511 2.578 1.00 0.00 H new ATOM 262 N ARG A 22 -10.138 5.912 4.992 1.00 0.00 N ATOM 263 CA ARG A 22 -10.613 5.040 6.060 1.00 0.00 C ATOM 264 C ARG A 22 -9.684 3.843 6.238 1.00 0.00 C ATOM 265 O ARG A 22 -9.076 3.368 5.278 1.00 0.00 O ATOM 266 CB ARG A 22 -12.033 4.558 5.760 1.00 0.00 C ATOM 267 CG ARG A 22 -12.541 3.512 6.739 1.00 0.00 C ATOM 268 CD ARG A 22 -13.093 4.154 8.003 1.00 0.00 C ATOM 269 NE ARG A 22 -13.438 3.160 9.016 1.00 0.00 N ATOM 270 CZ ARG A 22 -14.109 3.445 10.126 1.00 0.00 C ATOM 271 NH1 ARG A 22 -14.505 4.688 10.365 1.00 0.00 N ATOM 272 NH2 ARG A 22 -14.387 2.486 11.000 1.00 0.00 N ATOM 0 H ARG A 22 -10.791 6.024 4.217 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.620 5.613 6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.708 5.414 5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.062 4.144 4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.319 2.914 6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.730 2.831 6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.355 4.846 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.977 4.741 7.755 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.148 2.194 8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.294 5.428 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.020 4.904 11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.085 1.528 10.820 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.902 2.706 11.852 1.00 0.00 H new ATOM 286 N ASP A 23 -9.580 3.359 7.471 1.00 0.00 N ATOM 287 CA ASP A 23 -8.726 2.217 7.774 1.00 0.00 C ATOM 288 C ASP A 23 -8.721 1.220 6.619 1.00 0.00 C ATOM 289 O ASP A 23 -9.650 0.427 6.466 1.00 0.00 O ATOM 290 CB ASP A 23 -9.195 1.529 9.057 1.00 0.00 C ATOM 291 CG ASP A 23 -8.190 0.517 9.572 1.00 0.00 C ATOM 292 OD1 ASP A 23 -7.712 -0.307 8.766 1.00 0.00 O ATOM 293 OD2 ASP A 23 -7.883 0.550 10.783 1.00 0.00 O ATOM 0 H ASP A 23 -10.077 3.740 8.276 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.709 2.583 7.918 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.374 2.282 9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.146 1.030 8.871 1.00 0.00 H new ATOM 298 N VAL A 24 -7.669 1.267 5.808 1.00 0.00 N ATOM 299 CA VAL A 24 -7.543 0.368 4.667 1.00 0.00 C ATOM 300 C VAL A 24 -7.633 -1.090 5.103 1.00 0.00 C ATOM 301 O VAL A 24 -6.846 -1.551 5.931 1.00 0.00 O ATOM 302 CB VAL A 24 -6.213 0.589 3.922 1.00 0.00 C ATOM 303 CG1 VAL A 24 -6.131 -0.309 2.697 1.00 0.00 C ATOM 304 CG2 VAL A 24 -6.058 2.051 3.533 1.00 0.00 C ATOM 0 H VAL A 24 -6.892 1.918 5.920 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.370 0.594 3.994 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.394 0.326 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.185 -0.139 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.194 -1.352 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.956 -0.080 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.113 2.190 3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.882 2.343 2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.068 2.669 4.431 1.00 0.00 H new ATOM 314 N VAL A 25 -8.596 -1.813 4.541 1.00 0.00 N ATOM 315 CA VAL A 25 -8.788 -3.220 4.870 1.00 0.00 C ATOM 316 C VAL A 25 -8.731 -4.090 3.620 1.00 0.00 C ATOM 317 O VAL A 25 -9.266 -3.743 2.567 1.00 0.00 O ATOM 318 CB VAL A 25 -10.134 -3.451 5.583 1.00 0.00 C ATOM 319 CG1 VAL A 25 -10.134 -2.789 6.952 1.00 0.00 C ATOM 320 CG2 VAL A 25 -11.283 -2.934 4.730 1.00 0.00 C ATOM 0 H VAL A 25 -9.256 -1.447 3.855 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.977 -3.501 5.541 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.271 -4.523 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.093 -2.963 7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.335 -3.212 7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.974 -1.717 6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.227 -3.105 5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.154 -1.866 4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.293 -3.460 3.775 1.00 0.00 H new ATOM 330 N PRO A 26 -8.067 -5.250 3.735 1.00 0.00 N ATOM 331 CA PRO A 26 -7.925 -6.195 2.624 1.00 0.00 C ATOM 332 C PRO A 26 -9.244 -6.872 2.267 1.00 0.00 C ATOM 333 O PRO A 26 -9.516 -7.991 2.702 1.00 0.00 O ATOM 334 CB PRO A 26 -6.924 -7.222 3.157 1.00 0.00 C ATOM 335 CG PRO A 26 -7.068 -7.158 4.639 1.00 0.00 C ATOM 336 CD PRO A 26 -7.405 -5.728 4.960 1.00 0.00 C ATOM 0 HA PRO A 26 -7.602 -5.701 1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.144 -8.221 2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.907 -6.981 2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.853 -7.831 4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.146 -7.463 5.134 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -8.062 -5.655 5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.512 -5.146 5.187 1.00 0.00 H new ATOM 344 N VAL A 27 -10.060 -6.187 1.472 1.00 0.00 N ATOM 345 CA VAL A 27 -11.350 -6.724 1.055 1.00 0.00 C ATOM 346 C VAL A 27 -11.203 -8.134 0.495 1.00 0.00 C ATOM 347 O VAL A 27 -12.092 -8.972 0.654 1.00 0.00 O ATOM 348 CB VAL A 27 -12.014 -5.828 -0.007 1.00 0.00 C ATOM 349 CG1 VAL A 27 -12.660 -4.615 0.645 1.00 0.00 C ATOM 350 CG2 VAL A 27 -10.996 -5.401 -1.055 1.00 0.00 C ATOM 0 H VAL A 27 -9.851 -5.259 1.104 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.983 -6.753 1.942 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.796 -6.402 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.124 -3.994 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.420 -4.944 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.900 -4.036 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.482 -4.768 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.191 -4.844 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.585 -6.284 -1.544 1.00 0.00 H new ATOM 360 N LEU A 28 -10.077 -8.390 -0.161 1.00 0.00 N ATOM 361 CA LEU A 28 -9.812 -9.700 -0.745 1.00 0.00 C ATOM 362 C LEU A 28 -8.317 -9.999 -0.758 1.00 0.00 C ATOM 363 O LEU A 28 -7.491 -9.086 -0.768 1.00 0.00 O ATOM 364 CB LEU A 28 -10.371 -9.768 -2.167 1.00 0.00 C ATOM 365 CG LEU A 28 -10.420 -11.158 -2.803 1.00 0.00 C ATOM 366 CD1 LEU A 28 -11.748 -11.836 -2.501 1.00 0.00 C ATOM 367 CD2 LEU A 28 -10.196 -11.066 -4.305 1.00 0.00 C ATOM 0 H LEU A 28 -9.332 -7.707 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.307 -10.452 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.381 -9.358 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.769 -9.120 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.621 -11.762 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.765 -12.824 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.868 -11.936 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.563 -11.234 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.234 -12.065 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.973 -10.445 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.220 -10.622 -4.501 1.00 0.00 H new ATOM 379 N VAL A 29 -7.975 -11.283 -0.761 1.00 0.00 N ATOM 380 CA VAL A 29 -6.578 -11.703 -0.777 1.00 0.00 C ATOM 381 C VAL A 29 -6.383 -12.930 -1.660 1.00 0.00 C ATOM 382 O VAL A 29 -7.214 -13.838 -1.672 1.00 0.00 O ATOM 383 CB VAL A 29 -6.071 -12.020 0.643 1.00 0.00 C ATOM 384 CG1 VAL A 29 -4.629 -12.502 0.599 1.00 0.00 C ATOM 385 CG2 VAL A 29 -6.208 -10.800 1.542 1.00 0.00 C ATOM 0 H VAL A 29 -8.646 -12.051 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.002 -10.872 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.683 -12.820 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.288 -12.721 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.565 -13.404 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.999 -11.726 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.845 -11.042 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.621 -9.978 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.256 -10.505 1.598 1.00 0.00 H new ATOM 395 N SER A 30 -5.279 -12.950 -2.400 1.00 0.00 N ATOM 396 CA SER A 30 -4.975 -14.064 -3.290 1.00 0.00 C ATOM 397 C SER A 30 -3.603 -14.652 -2.975 1.00 0.00 C ATOM 398 O SER A 30 -2.904 -14.181 -2.079 1.00 0.00 O ATOM 399 CB SER A 30 -5.025 -13.607 -4.749 1.00 0.00 C ATOM 400 OG SER A 30 -4.908 -14.709 -5.633 1.00 0.00 O ATOM 0 H SER A 30 -4.580 -12.207 -2.401 1.00 0.00 H new ATOM 0 HA SER A 30 -5.727 -14.838 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.962 -13.084 -4.937 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.220 -12.897 -4.939 1.00 0.00 H new ATOM 0 HG SER A 30 -5.125 -14.422 -6.544 1.00 0.00 H new ATOM 406 N SER A 31 -3.224 -15.686 -3.720 1.00 0.00 N ATOM 407 CA SER A 31 -1.938 -16.342 -3.520 1.00 0.00 C ATOM 408 C SER A 31 -0.846 -15.661 -4.340 1.00 0.00 C ATOM 409 O SER A 31 0.339 -15.955 -4.183 1.00 0.00 O ATOM 410 CB SER A 31 -2.030 -17.821 -3.902 1.00 0.00 C ATOM 411 OG SER A 31 -2.689 -17.986 -5.146 1.00 0.00 O ATOM 0 H SER A 31 -3.790 -16.087 -4.468 1.00 0.00 H new ATOM 0 HA SER A 31 -1.679 -16.262 -2.464 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.029 -18.248 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.567 -18.367 -3.127 1.00 0.00 H new ATOM 0 HG SER A 31 -2.734 -18.939 -5.369 1.00 0.00 H new ATOM 417 N ARG A 32 -1.256 -14.748 -5.215 1.00 0.00 N ATOM 418 CA ARG A 32 -0.314 -14.025 -6.061 1.00 0.00 C ATOM 419 C ARG A 32 -0.508 -12.517 -5.925 1.00 0.00 C ATOM 420 O ARG A 32 0.454 -11.750 -5.973 1.00 0.00 O ATOM 421 CB ARG A 32 -0.485 -14.441 -7.523 1.00 0.00 C ATOM 422 CG ARG A 32 0.584 -13.879 -8.446 1.00 0.00 C ATOM 423 CD ARG A 32 0.365 -14.319 -9.885 1.00 0.00 C ATOM 424 NE ARG A 32 0.743 -15.713 -10.095 1.00 0.00 N ATOM 425 CZ ARG A 32 0.497 -16.380 -11.218 1.00 0.00 C ATOM 426 NH1 ARG A 32 -0.123 -15.783 -12.225 1.00 0.00 N ATOM 427 NH2 ARG A 32 0.872 -17.648 -11.333 1.00 0.00 N ATOM 0 H ARG A 32 -2.233 -14.492 -5.356 1.00 0.00 H new ATOM 0 HA ARG A 32 0.695 -14.276 -5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.472 -15.529 -7.586 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.464 -14.113 -7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.577 -12.790 -8.392 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.567 -14.208 -8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.684 -14.184 -10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.946 -13.682 -10.551 1.00 0.00 H new ATOM 0 HE ARG A 32 1.222 -16.202 -9.339 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.413 -14.809 -12.140 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.310 -16.298 -13.086 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.349 -18.111 -10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.683 -18.160 -12.195 1.00 0.00 H new ATOM 441 N PHE A 33 -1.758 -12.100 -5.755 1.00 0.00 N ATOM 442 CA PHE A 33 -2.078 -10.684 -5.613 1.00 0.00 C ATOM 443 C PHE A 33 -2.904 -10.437 -4.354 1.00 0.00 C ATOM 444 O PHE A 33 -3.303 -11.376 -3.665 1.00 0.00 O ATOM 445 CB PHE A 33 -2.841 -10.186 -6.843 1.00 0.00 C ATOM 446 CG PHE A 33 -4.232 -10.743 -6.952 1.00 0.00 C ATOM 447 CD1 PHE A 33 -5.256 -10.242 -6.165 1.00 0.00 C ATOM 448 CD2 PHE A 33 -4.515 -11.767 -7.841 1.00 0.00 C ATOM 449 CE1 PHE A 33 -6.537 -10.753 -6.263 1.00 0.00 C ATOM 450 CE2 PHE A 33 -5.793 -12.282 -7.943 1.00 0.00 C ATOM 451 CZ PHE A 33 -6.806 -11.774 -7.154 1.00 0.00 C ATOM 0 H PHE A 33 -2.566 -12.722 -5.712 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.142 -10.132 -5.526 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.895 -9.098 -6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.281 -10.451 -7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.051 -9.443 -5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.727 -12.168 -8.462 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.327 -10.354 -5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.000 -13.081 -8.639 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.806 -12.174 -7.233 1.00 0.00 H new ATOM 461 N VAL A 34 -3.156 -9.165 -4.059 1.00 0.00 N ATOM 462 CA VAL A 34 -3.935 -8.793 -2.884 1.00 0.00 C ATOM 463 C VAL A 34 -4.703 -7.498 -3.122 1.00 0.00 C ATOM 464 O VAL A 34 -4.109 -6.443 -3.345 1.00 0.00 O ATOM 465 CB VAL A 34 -3.035 -8.623 -1.646 1.00 0.00 C ATOM 466 CG1 VAL A 34 -3.858 -8.190 -0.442 1.00 0.00 C ATOM 467 CG2 VAL A 34 -2.284 -9.913 -1.352 1.00 0.00 C ATOM 0 H VAL A 34 -2.832 -8.375 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.642 -9.603 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.303 -7.843 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.205 -8.075 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.345 -7.239 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.614 -8.945 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.653 -9.775 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.998 -10.715 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.662 -10.175 -2.208 1.00 0.00 H new ATOM 477 N ARG A 35 -6.028 -7.586 -3.071 1.00 0.00 N ATOM 478 CA ARG A 35 -6.880 -6.421 -3.282 1.00 0.00 C ATOM 479 C ARG A 35 -7.050 -5.631 -1.988 1.00 0.00 C ATOM 480 O ARG A 35 -7.047 -6.200 -0.895 1.00 0.00 O ATOM 481 CB ARG A 35 -8.248 -6.851 -3.812 1.00 0.00 C ATOM 482 CG ARG A 35 -9.148 -5.687 -4.194 1.00 0.00 C ATOM 483 CD ARG A 35 -10.520 -6.166 -4.640 1.00 0.00 C ATOM 484 NE ARG A 35 -11.298 -5.097 -5.260 1.00 0.00 N ATOM 485 CZ ARG A 35 -12.363 -5.312 -6.025 1.00 0.00 C ATOM 486 NH1 ARG A 35 -12.773 -6.550 -6.263 1.00 0.00 N ATOM 487 NH2 ARG A 35 -13.019 -4.287 -6.554 1.00 0.00 N ATOM 0 H ARG A 35 -6.535 -8.451 -2.885 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.398 -5.779 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.106 -7.490 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.749 -7.453 -3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.255 -5.014 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.683 -5.114 -4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.405 -6.988 -5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.064 -6.559 -3.781 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.008 -4.133 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.271 -7.340 -5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.591 -6.712 -6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.706 -3.333 -6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.836 -4.453 -7.141 1.00 0.00 H new ATOM 501 N LEU A 36 -7.196 -4.317 -2.118 1.00 0.00 N ATOM 502 CA LEU A 36 -7.367 -3.448 -0.958 1.00 0.00 C ATOM 503 C LEU A 36 -8.392 -2.355 -1.244 1.00 0.00 C ATOM 504 O LEU A 36 -8.362 -1.722 -2.299 1.00 0.00 O ATOM 505 CB LEU A 36 -6.029 -2.818 -0.567 1.00 0.00 C ATOM 506 CG LEU A 36 -4.821 -3.756 -0.564 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.544 -2.983 -0.852 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.716 -4.485 0.768 1.00 0.00 C ATOM 0 H LEU A 36 -7.199 -3.830 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.732 -4.055 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.823 -1.996 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.131 -2.386 0.428 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.958 -4.497 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.695 -3.667 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.619 -2.507 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.400 -2.220 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.851 -5.148 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.602 -3.758 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.620 -5.071 0.934 1.00 0.00 H new ATOM 520 N SER A 37 -9.297 -2.136 -0.294 1.00 0.00 N ATOM 521 CA SER A 37 -10.332 -1.121 -0.444 1.00 0.00 C ATOM 522 C SER A 37 -10.237 -0.080 0.667 1.00 0.00 C ATOM 523 O SER A 37 -9.996 -0.415 1.827 1.00 0.00 O ATOM 524 CB SER A 37 -11.718 -1.769 -0.435 1.00 0.00 C ATOM 525 OG SER A 37 -12.725 -0.825 -0.753 1.00 0.00 O ATOM 0 H SER A 37 -9.333 -2.648 0.587 1.00 0.00 H new ATOM 0 HA SER A 37 -10.180 -0.621 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.744 -2.589 -1.153 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.915 -2.199 0.547 1.00 0.00 H new ATOM 0 HG SER A 37 -13.601 -1.265 -0.742 1.00 0.00 H new ATOM 531 N TRP A 38 -10.429 1.183 0.304 1.00 0.00 N ATOM 532 CA TRP A 38 -10.365 2.274 1.271 1.00 0.00 C ATOM 533 C TRP A 38 -11.304 3.408 0.874 1.00 0.00 C ATOM 534 O TRP A 38 -11.684 3.533 -0.291 1.00 0.00 O ATOM 535 CB TRP A 38 -8.933 2.797 1.386 1.00 0.00 C ATOM 536 CG TRP A 38 -8.428 3.429 0.124 1.00 0.00 C ATOM 537 CD1 TRP A 38 -8.604 4.724 -0.272 1.00 0.00 C ATOM 538 CD2 TRP A 38 -7.666 2.793 -0.908 1.00 0.00 C ATOM 539 NE1 TRP A 38 -7.998 4.931 -1.487 1.00 0.00 N ATOM 540 CE2 TRP A 38 -7.415 3.762 -1.898 1.00 0.00 C ATOM 541 CE3 TRP A 38 -7.170 1.499 -1.090 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -6.691 3.476 -3.052 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -6.452 1.217 -2.237 1.00 0.00 C ATOM 544 CH2 TRP A 38 -6.217 2.201 -3.205 1.00 0.00 C ATOM 0 H TRP A 38 -10.630 1.477 -0.652 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.682 1.888 2.240 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -8.884 3.527 2.194 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -8.274 1.973 1.660 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.141 5.475 0.288 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.984 5.812 -2.000 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.344 0.734 -0.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.510 4.233 -3.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.065 0.220 -2.389 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.651 1.949 -4.090 1.00 0.00 H new ATOM 555 N ARG A 39 -11.674 4.232 1.848 1.00 0.00 N ATOM 556 CA ARG A 39 -12.569 5.356 1.600 1.00 0.00 C ATOM 557 C ARG A 39 -11.794 6.565 1.084 1.00 0.00 C ATOM 558 O ARG A 39 -10.695 6.871 1.545 1.00 0.00 O ATOM 559 CB ARG A 39 -13.323 5.727 2.878 1.00 0.00 C ATOM 560 CG ARG A 39 -14.004 7.084 2.811 1.00 0.00 C ATOM 561 CD ARG A 39 -14.394 7.581 4.194 1.00 0.00 C ATOM 562 NE ARG A 39 -15.357 6.695 4.843 1.00 0.00 N ATOM 563 CZ ARG A 39 -16.630 6.599 4.476 1.00 0.00 C ATOM 564 NH1 ARG A 39 -17.091 7.330 3.471 1.00 0.00 N ATOM 565 NH2 ARG A 39 -17.445 5.769 5.115 1.00 0.00 N ATOM 0 H ARG A 39 -11.368 4.143 2.817 1.00 0.00 H new ATOM 0 HA ARG A 39 -13.287 5.054 0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -14.073 4.963 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.626 5.721 3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.336 7.805 2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -14.893 7.016 2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.502 7.663 4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -14.819 8.581 4.113 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.034 6.119 5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.468 7.969 2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -18.069 7.254 3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.094 5.204 5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -18.422 5.696 4.833 1.00 0.00 H new ATOM 579 N PRO A 40 -12.379 7.268 0.103 1.00 0.00 N ATOM 580 CA PRO A 40 -11.761 8.455 -0.497 1.00 0.00 C ATOM 581 C PRO A 40 -11.725 9.638 0.464 1.00 0.00 C ATOM 582 O PRO A 40 -12.539 9.749 1.381 1.00 0.00 O ATOM 583 CB PRO A 40 -12.669 8.762 -1.690 1.00 0.00 C ATOM 584 CG PRO A 40 -13.990 8.181 -1.321 1.00 0.00 C ATOM 585 CD PRO A 40 -13.689 6.960 -0.495 1.00 0.00 C ATOM 0 HA PRO A 40 -10.720 8.279 -0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.744 9.835 -1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.283 8.316 -2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.587 8.897 -0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.563 7.919 -2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.450 6.793 0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.649 6.060 -1.108 1.00 0.00 H new ATOM 593 N PRO A 41 -10.759 10.544 0.252 1.00 0.00 N ATOM 594 CA PRO A 41 -10.595 11.737 1.089 1.00 0.00 C ATOM 595 C PRO A 41 -11.721 12.745 0.889 1.00 0.00 C ATOM 596 O PRO A 41 -11.888 13.295 -0.199 1.00 0.00 O ATOM 597 CB PRO A 41 -9.262 12.322 0.614 1.00 0.00 C ATOM 598 CG PRO A 41 -9.111 11.834 -0.785 1.00 0.00 C ATOM 599 CD PRO A 41 -9.754 10.475 -0.822 1.00 0.00 C ATOM 0 HA PRO A 41 -10.616 11.496 2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.271 13.411 0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.436 11.986 1.242 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.593 12.513 -1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.060 11.776 -1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.213 10.274 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.028 9.682 -0.643 1.00 0.00 H new ATOM 607 N ALA A 42 -12.490 12.983 1.946 1.00 0.00 N ATOM 608 CA ALA A 42 -13.599 13.928 1.887 1.00 0.00 C ATOM 609 C ALA A 42 -13.158 15.254 1.276 1.00 0.00 C ATOM 610 O ALA A 42 -13.915 15.891 0.544 1.00 0.00 O ATOM 611 CB ALA A 42 -14.177 14.151 3.277 1.00 0.00 C ATOM 0 H ALA A 42 -12.366 12.535 2.854 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.373 13.503 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -15.004 14.859 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.538 13.204 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.404 14.551 3.933 1.00 0.00 H new ATOM 617 N GLU A 43 -11.931 15.663 1.582 1.00 0.00 N ATOM 618 CA GLU A 43 -11.392 16.914 1.063 1.00 0.00 C ATOM 619 C GLU A 43 -10.058 16.682 0.360 1.00 0.00 C ATOM 620 O GLU A 43 -9.131 16.115 0.937 1.00 0.00 O ATOM 621 CB GLU A 43 -11.214 17.927 2.196 1.00 0.00 C ATOM 622 CG GLU A 43 -12.520 18.535 2.680 1.00 0.00 C ATOM 623 CD GLU A 43 -12.979 19.694 1.817 1.00 0.00 C ATOM 624 OE1 GLU A 43 -13.252 19.471 0.620 1.00 0.00 O ATOM 625 OE2 GLU A 43 -13.066 20.825 2.341 1.00 0.00 O ATOM 0 H GLU A 43 -11.292 15.147 2.186 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.101 17.312 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.718 17.438 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.555 18.726 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.293 17.766 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.398 18.878 3.707 1.00 0.00 H new ATOM 632 N ALA A 44 -9.971 17.123 -0.891 1.00 0.00 N ATOM 633 CA ALA A 44 -8.751 16.965 -1.673 1.00 0.00 C ATOM 634 C ALA A 44 -8.065 18.309 -1.898 1.00 0.00 C ATOM 635 O ALA A 44 -6.881 18.365 -2.228 1.00 0.00 O ATOM 636 CB ALA A 44 -9.062 16.299 -3.006 1.00 0.00 C ATOM 0 H ALA A 44 -10.731 17.592 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.068 16.328 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.142 16.187 -3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -9.501 15.317 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.766 16.915 -3.565 1.00 0.00 H new ATOM 642 N LYS A 45 -8.818 19.389 -1.719 1.00 0.00 N ATOM 643 CA LYS A 45 -8.283 20.733 -1.902 1.00 0.00 C ATOM 644 C LYS A 45 -7.671 20.891 -3.290 1.00 0.00 C ATOM 645 O LYS A 45 -6.536 21.345 -3.431 1.00 0.00 O ATOM 646 CB LYS A 45 -7.231 21.036 -0.832 1.00 0.00 C ATOM 647 CG LYS A 45 -7.707 20.759 0.584 1.00 0.00 C ATOM 648 CD LYS A 45 -8.613 21.868 1.094 1.00 0.00 C ATOM 649 CE LYS A 45 -10.072 21.587 0.772 1.00 0.00 C ATOM 650 NZ LYS A 45 -10.850 22.843 0.583 1.00 0.00 N ATOM 0 H LYS A 45 -9.801 19.360 -1.447 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.106 21.441 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.341 20.439 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.937 22.083 -0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.242 19.810 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.846 20.658 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.491 21.972 2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.316 22.817 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.134 20.982 -0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.516 21.003 1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.840 22.609 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.812 23.409 1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.442 23.389 -0.203 1.00 0.00 H new ATOM 664 N GLY A 46 -8.432 20.515 -4.314 1.00 0.00 N ATOM 665 CA GLY A 46 -7.948 20.624 -5.677 1.00 0.00 C ATOM 666 C GLY A 46 -8.418 19.480 -6.553 1.00 0.00 C ATOM 667 O GLY A 46 -9.614 19.328 -6.799 1.00 0.00 O ATOM 0 H GLY A 46 -9.375 20.137 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.286 21.568 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.858 20.649 -5.671 1.00 0.00 H new ATOM 671 N ASN A 47 -7.474 18.673 -7.026 1.00 0.00 N ATOM 672 CA ASN A 47 -7.798 17.537 -7.882 1.00 0.00 C ATOM 673 C ASN A 47 -6.730 16.452 -7.773 1.00 0.00 C ATOM 674 O ASN A 47 -5.577 16.663 -8.148 1.00 0.00 O ATOM 675 CB ASN A 47 -7.934 17.991 -9.337 1.00 0.00 C ATOM 676 CG ASN A 47 -6.866 18.992 -9.733 1.00 0.00 C ATOM 677 OD1 ASN A 47 -5.867 18.530 -10.475 1.00 0.00 O flip ATOM 678 ND2 ASN A 47 -6.940 20.168 -9.375 1.00 0.00 N flip ATOM 0 H ASN A 47 -6.479 18.784 -6.831 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.749 17.121 -7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.875 17.122 -9.993 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.918 18.436 -9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.727 20.479 -8.805 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.215 20.831 -9.649 1.00 0.00 H new ATOM 685 N ILE A 48 -7.124 15.292 -7.259 1.00 0.00 N ATOM 686 CA ILE A 48 -6.202 14.174 -7.103 1.00 0.00 C ATOM 687 C ILE A 48 -5.976 13.458 -8.430 1.00 0.00 C ATOM 688 O ILE A 48 -6.928 13.108 -9.127 1.00 0.00 O ATOM 689 CB ILE A 48 -6.718 13.159 -6.066 1.00 0.00 C ATOM 690 CG1 ILE A 48 -6.893 13.833 -4.704 1.00 0.00 C ATOM 691 CG2 ILE A 48 -5.765 11.978 -5.961 1.00 0.00 C ATOM 692 CD1 ILE A 48 -7.534 12.939 -3.665 1.00 0.00 C ATOM 0 H ILE A 48 -8.075 15.102 -6.944 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.258 14.591 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.689 12.788 -6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.918 14.158 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.502 14.729 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.143 11.269 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.687 11.486 -6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.781 12.331 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.627 13.482 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.523 12.635 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.915 12.055 -3.514 1.00 0.00 H new ATOM 704 N GLN A 49 -4.710 13.244 -8.773 1.00 0.00 N ATOM 705 CA GLN A 49 -4.360 12.568 -10.016 1.00 0.00 C ATOM 706 C GLN A 49 -4.521 11.058 -9.880 1.00 0.00 C ATOM 707 O GLN A 49 -5.048 10.395 -10.774 1.00 0.00 O ATOM 708 CB GLN A 49 -2.922 12.905 -10.417 1.00 0.00 C ATOM 709 CG GLN A 49 -2.705 14.378 -10.722 1.00 0.00 C ATOM 710 CD GLN A 49 -3.303 14.793 -12.052 1.00 0.00 C ATOM 711 OE1 GLN A 49 -2.685 14.624 -13.103 1.00 0.00 O ATOM 712 NE2 GLN A 49 -4.513 15.339 -12.012 1.00 0.00 N ATOM 0 H GLN A 49 -3.910 13.529 -8.208 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.039 12.918 -10.793 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.250 12.606 -9.613 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.651 12.317 -11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.146 14.979 -9.926 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.636 14.591 -10.727 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.989 15.460 -11.118 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.967 15.637 -12.875 1.00 0.00 H new ATOM 721 N THR A 50 -4.064 10.518 -8.754 1.00 0.00 N ATOM 722 CA THR A 50 -4.157 9.086 -8.501 1.00 0.00 C ATOM 723 C THR A 50 -3.750 8.753 -7.070 1.00 0.00 C ATOM 724 O THR A 50 -3.381 9.638 -6.297 1.00 0.00 O ATOM 725 CB THR A 50 -3.271 8.285 -9.474 1.00 0.00 C ATOM 726 OG1 THR A 50 -3.270 6.900 -9.109 1.00 0.00 O ATOM 727 CG2 THR A 50 -1.846 8.816 -9.471 1.00 0.00 C ATOM 0 H THR A 50 -3.626 11.051 -8.003 1.00 0.00 H new ATOM 0 HA THR A 50 -5.199 8.805 -8.654 1.00 0.00 H new ATOM 0 HB THR A 50 -3.681 8.396 -10.478 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.706 6.398 -9.733 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.240 8.235 -10.166 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.847 9.862 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.429 8.733 -8.467 1.00 0.00 H new ATOM 735 N PHE A 51 -3.818 7.472 -6.723 1.00 0.00 N ATOM 736 CA PHE A 51 -3.456 7.022 -5.384 1.00 0.00 C ATOM 737 C PHE A 51 -2.274 6.060 -5.434 1.00 0.00 C ATOM 738 O PHE A 51 -2.295 5.068 -6.165 1.00 0.00 O ATOM 739 CB PHE A 51 -4.651 6.345 -4.710 1.00 0.00 C ATOM 740 CG PHE A 51 -5.700 7.311 -4.237 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.427 8.064 -5.144 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.959 7.465 -2.884 1.00 0.00 C ATOM 743 CE1 PHE A 51 -7.391 8.955 -4.711 1.00 0.00 C ATOM 744 CE2 PHE A 51 -6.923 8.353 -2.445 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.640 9.098 -3.360 1.00 0.00 C ATOM 0 H PHE A 51 -4.121 6.727 -7.351 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.166 7.896 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.104 5.644 -5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.296 5.762 -3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.239 7.954 -6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.401 6.884 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.949 9.539 -5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.115 8.464 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.395 9.792 -3.020 1.00 0.00 H new ATOM 755 N THR A 52 -1.241 6.359 -4.652 1.00 0.00 N ATOM 756 CA THR A 52 -0.048 5.523 -4.608 1.00 0.00 C ATOM 757 C THR A 52 -0.201 4.400 -3.588 1.00 0.00 C ATOM 758 O THR A 52 -0.855 4.568 -2.559 1.00 0.00 O ATOM 759 CB THR A 52 1.205 6.349 -4.261 1.00 0.00 C ATOM 760 OG1 THR A 52 1.150 7.621 -4.917 1.00 0.00 O ATOM 761 CG2 THR A 52 2.470 5.613 -4.675 1.00 0.00 C ATOM 0 H THR A 52 -1.207 7.175 -4.040 1.00 0.00 H new ATOM 0 HA THR A 52 0.073 5.093 -5.602 1.00 0.00 H new ATOM 0 HB THR A 52 1.228 6.498 -3.181 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.220 8.336 -4.251 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.342 6.216 -4.420 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.523 4.658 -4.152 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.453 5.437 -5.751 1.00 0.00 H new ATOM 769 N VAL A 53 0.407 3.255 -3.880 1.00 0.00 N ATOM 770 CA VAL A 53 0.340 2.104 -2.987 1.00 0.00 C ATOM 771 C VAL A 53 1.720 1.492 -2.774 1.00 0.00 C ATOM 772 O VAL A 53 2.231 0.772 -3.633 1.00 0.00 O ATOM 773 CB VAL A 53 -0.610 1.023 -3.535 1.00 0.00 C ATOM 774 CG1 VAL A 53 -0.597 -0.205 -2.637 1.00 0.00 C ATOM 775 CG2 VAL A 53 -2.021 1.575 -3.675 1.00 0.00 C ATOM 0 H VAL A 53 0.952 3.099 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.045 2.466 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.261 0.725 -4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.274 -0.958 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.413 -0.612 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.921 0.074 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.679 0.798 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.382 1.902 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.014 2.421 -4.362 1.00 0.00 H new ATOM 785 N PHE A 54 2.319 1.782 -1.624 1.00 0.00 N ATOM 786 CA PHE A 54 3.641 1.261 -1.298 1.00 0.00 C ATOM 787 C PHE A 54 3.547 -0.166 -0.766 1.00 0.00 C ATOM 788 O PHE A 54 2.561 -0.540 -0.131 1.00 0.00 O ATOM 789 CB PHE A 54 4.326 2.158 -0.265 1.00 0.00 C ATOM 790 CG PHE A 54 4.643 3.532 -0.781 1.00 0.00 C ATOM 791 CD1 PHE A 54 5.629 3.717 -1.737 1.00 0.00 C ATOM 792 CD2 PHE A 54 3.956 4.639 -0.309 1.00 0.00 C ATOM 793 CE1 PHE A 54 5.923 4.981 -2.214 1.00 0.00 C ATOM 794 CE2 PHE A 54 4.246 5.905 -0.783 1.00 0.00 C ATOM 795 CZ PHE A 54 5.231 6.076 -1.736 1.00 0.00 C ATOM 0 H PHE A 54 1.910 2.375 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 54 4.235 1.251 -2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.683 2.247 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.249 1.680 0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.174 2.864 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.186 4.511 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.693 5.112 -2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.703 6.760 -0.408 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.459 7.064 -2.107 1.00 0.00 H new ATOM 805 N PHE A 55 4.580 -0.960 -1.032 1.00 0.00 N ATOM 806 CA PHE A 55 4.614 -2.346 -0.582 1.00 0.00 C ATOM 807 C PHE A 55 6.033 -2.904 -0.645 1.00 0.00 C ATOM 808 O PHE A 55 6.785 -2.612 -1.575 1.00 0.00 O ATOM 809 CB PHE A 55 3.678 -3.205 -1.435 1.00 0.00 C ATOM 810 CG PHE A 55 3.753 -2.896 -2.903 1.00 0.00 C ATOM 811 CD1 PHE A 55 3.023 -1.848 -3.442 1.00 0.00 C ATOM 812 CD2 PHE A 55 4.553 -3.652 -3.744 1.00 0.00 C ATOM 813 CE1 PHE A 55 3.090 -1.562 -4.793 1.00 0.00 C ATOM 814 CE2 PHE A 55 4.624 -3.371 -5.096 1.00 0.00 C ATOM 815 CZ PHE A 55 3.892 -2.324 -5.620 1.00 0.00 C ATOM 0 H PHE A 55 5.404 -0.667 -1.557 1.00 0.00 H new ATOM 0 HA PHE A 55 4.277 -2.373 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.921 -4.256 -1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.653 -3.061 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.395 -1.248 -2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.128 -4.471 -3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.516 -0.744 -5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.251 -3.969 -5.741 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.946 -2.101 -6.675 1.00 0.00 H new ATOM 825 N SER A 56 6.391 -3.708 0.351 1.00 0.00 N ATOM 826 CA SER A 56 7.721 -4.303 0.412 1.00 0.00 C ATOM 827 C SER A 56 7.664 -5.696 1.030 1.00 0.00 C ATOM 828 O SER A 56 6.698 -6.048 1.707 1.00 0.00 O ATOM 829 CB SER A 56 8.666 -3.412 1.220 1.00 0.00 C ATOM 830 OG SER A 56 9.663 -4.181 1.869 1.00 0.00 O ATOM 0 H SER A 56 5.779 -3.962 1.126 1.00 0.00 H new ATOM 0 HA SER A 56 8.100 -4.391 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.137 -2.683 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.097 -2.850 1.960 1.00 0.00 H new ATOM 0 HG SER A 56 10.255 -3.588 2.377 1.00 0.00 H new ATOM 836 N ARG A 57 8.707 -6.485 0.793 1.00 0.00 N ATOM 837 CA ARG A 57 8.777 -7.841 1.325 1.00 0.00 C ATOM 838 C ARG A 57 9.419 -7.849 2.709 1.00 0.00 C ATOM 839 O ARG A 57 10.217 -6.972 3.038 1.00 0.00 O ATOM 840 CB ARG A 57 9.569 -8.744 0.378 1.00 0.00 C ATOM 841 CG ARG A 57 9.459 -10.222 0.711 1.00 0.00 C ATOM 842 CD ARG A 57 10.243 -11.075 -0.274 1.00 0.00 C ATOM 843 NE ARG A 57 11.655 -11.170 0.087 1.00 0.00 N ATOM 844 CZ ARG A 57 12.093 -11.767 1.190 1.00 0.00 C ATOM 845 NH1 ARG A 57 11.233 -12.319 2.035 1.00 0.00 N ATOM 846 NH2 ARG A 57 13.394 -11.812 1.449 1.00 0.00 N ATOM 0 H ARG A 57 9.515 -6.209 0.236 1.00 0.00 H new ATOM 0 HA ARG A 57 7.760 -8.223 1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.219 -8.583 -0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.619 -8.452 0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.830 -10.397 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.411 -10.522 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.811 -12.075 -0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.152 -10.650 -1.274 1.00 0.00 H new ATOM 0 HE ARG A 57 12.342 -10.755 -0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.233 -12.286 1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.572 -12.777 2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.058 -11.388 0.801 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.730 -12.270 2.296 1.00 0.00 H new ATOM 860 N GLU A 58 9.065 -8.845 3.515 1.00 0.00 N ATOM 861 CA GLU A 58 9.606 -8.966 4.863 1.00 0.00 C ATOM 862 C GLU A 58 11.131 -8.903 4.845 1.00 0.00 C ATOM 863 O GLU A 58 11.795 -9.810 4.343 1.00 0.00 O ATOM 864 CB GLU A 58 9.147 -10.276 5.506 1.00 0.00 C ATOM 865 CG GLU A 58 9.110 -10.230 7.024 1.00 0.00 C ATOM 866 CD GLU A 58 9.325 -11.591 7.655 1.00 0.00 C ATOM 867 OE1 GLU A 58 8.489 -12.490 7.427 1.00 0.00 O ATOM 868 OE2 GLU A 58 10.330 -11.758 8.378 1.00 0.00 O ATOM 0 H GLU A 58 8.406 -9.580 3.258 1.00 0.00 H new ATOM 0 HA GLU A 58 9.231 -8.130 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.153 -10.524 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.814 -11.078 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.877 -9.543 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.149 -9.831 7.348 1.00 0.00 H new ATOM 875 N GLY A 59 11.680 -7.824 5.395 1.00 0.00 N ATOM 876 CA GLY A 59 13.121 -7.662 5.431 1.00 0.00 C ATOM 877 C GLY A 59 13.711 -7.407 4.058 1.00 0.00 C ATOM 878 O GLY A 59 14.464 -8.229 3.536 1.00 0.00 O ATOM 0 H GLY A 59 11.152 -7.060 5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.374 -6.832 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.574 -8.558 5.857 1.00 0.00 H new ATOM 882 N ASP A 60 13.366 -6.266 3.471 1.00 0.00 N ATOM 883 CA ASP A 60 13.865 -5.905 2.149 1.00 0.00 C ATOM 884 C ASP A 60 14.411 -4.481 2.145 1.00 0.00 C ATOM 885 O ASP A 60 13.923 -3.617 2.873 1.00 0.00 O ATOM 886 CB ASP A 60 12.756 -6.043 1.106 1.00 0.00 C ATOM 887 CG ASP A 60 12.714 -7.425 0.484 1.00 0.00 C ATOM 888 OD1 ASP A 60 12.833 -8.416 1.234 1.00 0.00 O ATOM 889 OD2 ASP A 60 12.563 -7.515 -0.752 1.00 0.00 O ATOM 0 H ASP A 60 12.743 -5.575 3.890 1.00 0.00 H new ATOM 0 HA ASP A 60 14.677 -6.587 1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.794 -5.828 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.904 -5.300 0.323 1.00 0.00 H new ATOM 894 N ASN A 61 15.426 -4.243 1.321 1.00 0.00 N ATOM 895 CA ASN A 61 16.039 -2.924 1.223 1.00 0.00 C ATOM 896 C ASN A 61 15.443 -2.131 0.064 1.00 0.00 C ATOM 897 O ASN A 61 16.046 -1.175 -0.424 1.00 0.00 O ATOM 898 CB ASN A 61 17.553 -3.054 1.041 1.00 0.00 C ATOM 899 CG ASN A 61 17.921 -3.805 -0.224 1.00 0.00 C ATOM 900 OD1 ASN A 61 17.099 -3.963 -1.126 1.00 0.00 O ATOM 901 ND2 ASN A 61 19.162 -4.272 -0.295 1.00 0.00 N ATOM 0 H ASN A 61 15.842 -4.947 0.711 1.00 0.00 H new ATOM 0 HA ASN A 61 15.836 -2.387 2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.999 -2.060 1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 61 17.977 -3.570 1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.467 -4.785 -1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.810 -4.117 0.477 1.00 0.00 H new ATOM 908 N ARG A 62 14.254 -2.536 -0.373 1.00 0.00 N ATOM 909 CA ARG A 62 13.576 -1.864 -1.475 1.00 0.00 C ATOM 910 C ARG A 62 12.083 -1.728 -1.193 1.00 0.00 C ATOM 911 O ARG A 62 11.594 -2.177 -0.156 1.00 0.00 O ATOM 912 CB ARG A 62 13.791 -2.634 -2.779 1.00 0.00 C ATOM 913 CG ARG A 62 15.181 -2.457 -3.369 1.00 0.00 C ATOM 914 CD ARG A 62 15.450 -3.465 -4.475 1.00 0.00 C ATOM 915 NE ARG A 62 15.302 -4.841 -4.009 1.00 0.00 N ATOM 916 CZ ARG A 62 15.562 -5.904 -4.763 1.00 0.00 C ATOM 917 NH1 ARG A 62 15.982 -5.749 -6.011 1.00 0.00 N ATOM 918 NH2 ARG A 62 15.403 -7.125 -4.268 1.00 0.00 N ATOM 0 H ARG A 62 13.741 -3.326 0.019 1.00 0.00 H new ATOM 0 HA ARG A 62 14.002 -0.866 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.615 -3.694 -2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.051 -2.308 -3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.284 -1.446 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.928 -2.570 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.764 -3.287 -5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.459 -3.319 -4.861 1.00 0.00 H new ATOM 0 HE ARG A 62 14.982 -4.995 -3.053 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.106 -4.812 -6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.181 -6.567 -6.587 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.081 -7.248 -3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.603 -7.940 -4.848 1.00 0.00 H new ATOM 932 N GLU A 63 11.364 -1.106 -2.122 1.00 0.00 N ATOM 933 CA GLU A 63 9.927 -0.911 -1.972 1.00 0.00 C ATOM 934 C GLU A 63 9.308 -0.405 -3.271 1.00 0.00 C ATOM 935 O GLU A 63 9.688 0.648 -3.784 1.00 0.00 O ATOM 936 CB GLU A 63 9.640 0.077 -0.839 1.00 0.00 C ATOM 937 CG GLU A 63 8.226 -0.019 -0.291 1.00 0.00 C ATOM 938 CD GLU A 63 7.304 1.038 -0.866 1.00 0.00 C ATOM 939 OE1 GLU A 63 7.349 2.190 -0.386 1.00 0.00 O ATOM 940 OE2 GLU A 63 6.538 0.713 -1.797 1.00 0.00 O ATOM 0 H GLU A 63 11.753 -0.729 -2.986 1.00 0.00 H new ATOM 0 HA GLU A 63 9.479 -1.874 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.347 -0.097 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.813 1.091 -1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.822 -1.007 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.254 0.080 0.794 1.00 0.00 H new ATOM 947 N ARG A 64 8.352 -1.162 -3.799 1.00 0.00 N ATOM 948 CA ARG A 64 7.681 -0.793 -5.039 1.00 0.00 C ATOM 949 C ARG A 64 6.347 -0.109 -4.753 1.00 0.00 C ATOM 950 O ARG A 64 5.707 -0.376 -3.736 1.00 0.00 O ATOM 951 CB ARG A 64 7.455 -2.030 -5.910 1.00 0.00 C ATOM 952 CG ARG A 64 8.742 -2.671 -6.404 1.00 0.00 C ATOM 953 CD ARG A 64 8.537 -3.380 -7.733 1.00 0.00 C ATOM 954 NE ARG A 64 9.770 -3.989 -8.224 1.00 0.00 N ATOM 955 CZ ARG A 64 10.201 -5.187 -7.843 1.00 0.00 C ATOM 956 NH1 ARG A 64 9.501 -5.900 -6.972 1.00 0.00 N ATOM 957 NH2 ARG A 64 11.333 -5.673 -8.335 1.00 0.00 N ATOM 0 H ARG A 64 8.025 -2.036 -3.387 1.00 0.00 H new ATOM 0 HA ARG A 64 8.322 -0.092 -5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.888 -2.766 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.844 -1.752 -6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.512 -1.907 -6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.103 -3.383 -5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.773 -4.149 -7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.166 -2.668 -8.470 1.00 0.00 H new ATOM 0 HE ARG A 64 10.331 -3.466 -8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.630 -5.529 -6.593 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.834 -6.819 -6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.873 -5.127 -9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.663 -6.593 -8.042 1.00 0.00 H new ATOM 971 N ALA A 65 5.935 0.775 -5.656 1.00 0.00 N ATOM 972 CA ALA A 65 4.678 1.496 -5.501 1.00 0.00 C ATOM 973 C ALA A 65 3.830 1.399 -6.765 1.00 0.00 C ATOM 974 O ALA A 65 4.339 1.532 -7.878 1.00 0.00 O ATOM 975 CB ALA A 65 4.945 2.953 -5.153 1.00 0.00 C ATOM 0 H ALA A 65 6.454 1.009 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 65 4.121 1.035 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.997 3.480 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.504 3.007 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.525 3.417 -5.950 1.00 0.00 H new ATOM 981 N LEU A 66 2.535 1.164 -6.586 1.00 0.00 N ATOM 982 CA LEU A 66 1.616 1.047 -7.712 1.00 0.00 C ATOM 983 C LEU A 66 0.554 2.142 -7.665 1.00 0.00 C ATOM 984 O LEU A 66 -0.373 2.086 -6.859 1.00 0.00 O ATOM 985 CB LEU A 66 0.946 -0.328 -7.710 1.00 0.00 C ATOM 986 CG LEU A 66 0.038 -0.635 -8.901 1.00 0.00 C ATOM 987 CD1 LEU A 66 0.866 -0.988 -10.127 1.00 0.00 C ATOM 988 CD2 LEU A 66 -0.924 -1.764 -8.562 1.00 0.00 C ATOM 0 H LEU A 66 2.098 1.051 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 66 2.191 1.163 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.725 -1.089 -7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.358 -0.422 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.546 0.257 -9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.202 -1.203 -10.965 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.513 -0.149 -10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.477 -1.865 -9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.562 -1.969 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.358 -2.660 -8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.542 -1.473 -7.712 1.00 0.00 H new ATOM 1000 N ASN A 67 0.697 3.136 -8.535 1.00 0.00 N ATOM 1001 CA ASN A 67 -0.250 4.243 -8.594 1.00 0.00 C ATOM 1002 C ASN A 67 -1.177 4.103 -9.797 1.00 0.00 C ATOM 1003 O ASN A 67 -0.801 4.419 -10.926 1.00 0.00 O ATOM 1004 CB ASN A 67 0.496 5.577 -8.663 1.00 0.00 C ATOM 1005 CG ASN A 67 1.332 5.707 -9.922 1.00 0.00 C ATOM 1006 OD1 ASN A 67 0.766 6.334 -10.946 1.00 0.00 O flip ATOM 1007 ND2 ASN A 67 2.473 5.248 -9.973 1.00 0.00 N flip ATOM 0 H ASN A 67 1.460 3.198 -9.209 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.855 4.219 -7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.223 6.395 -8.622 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.141 5.675 -7.790 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.869 4.773 -9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.023 5.342 -10.827 1.00 0.00 H new ATOM 1014 N THR A 68 -2.394 3.627 -9.548 1.00 0.00 N ATOM 1015 CA THR A 68 -3.375 3.444 -10.609 1.00 0.00 C ATOM 1016 C THR A 68 -4.746 3.100 -10.038 1.00 0.00 C ATOM 1017 O THR A 68 -4.907 2.096 -9.343 1.00 0.00 O ATOM 1018 CB THR A 68 -2.946 2.333 -11.586 1.00 0.00 C ATOM 1019 OG1 THR A 68 -4.082 1.856 -12.315 1.00 0.00 O ATOM 1020 CG2 THR A 68 -2.294 1.179 -10.840 1.00 0.00 C ATOM 0 H THR A 68 -2.723 3.361 -8.620 1.00 0.00 H new ATOM 0 HA THR A 68 -3.436 4.389 -11.148 1.00 0.00 H new ATOM 0 HB THR A 68 -2.219 2.752 -12.282 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.800 1.151 -12.935 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.999 0.407 -11.550 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.412 1.540 -10.310 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.002 0.762 -10.124 1.00 0.00 H new ATOM 1028 N THR A 69 -5.733 3.940 -10.333 1.00 0.00 N ATOM 1029 CA THR A 69 -7.090 3.725 -9.848 1.00 0.00 C ATOM 1030 C THR A 69 -8.118 4.294 -10.820 1.00 0.00 C ATOM 1031 O THR A 69 -7.821 5.213 -11.583 1.00 0.00 O ATOM 1032 CB THR A 69 -7.300 4.366 -8.463 1.00 0.00 C ATOM 1033 OG1 THR A 69 -6.526 5.566 -8.356 1.00 0.00 O ATOM 1034 CG2 THR A 69 -6.905 3.401 -7.356 1.00 0.00 C ATOM 0 H THR A 69 -5.618 4.776 -10.906 1.00 0.00 H new ATOM 0 HA THR A 69 -7.229 2.647 -9.766 1.00 0.00 H new ATOM 0 HB THR A 69 -8.358 4.606 -8.354 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.666 5.968 -7.473 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.062 3.875 -6.387 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.516 2.501 -7.423 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.854 3.134 -7.464 1.00 0.00 H new ATOM 1042 N GLN A 70 -9.327 3.743 -10.786 1.00 0.00 N ATOM 1043 CA GLN A 70 -10.398 4.197 -11.664 1.00 0.00 C ATOM 1044 C GLN A 70 -11.016 5.492 -11.145 1.00 0.00 C ATOM 1045 O GLN A 70 -10.877 5.849 -9.975 1.00 0.00 O ATOM 1046 CB GLN A 70 -11.476 3.119 -11.790 1.00 0.00 C ATOM 1047 CG GLN A 70 -11.219 2.130 -12.916 1.00 0.00 C ATOM 1048 CD GLN A 70 -12.329 1.108 -13.060 1.00 0.00 C ATOM 1049 OE1 GLN A 70 -12.815 0.559 -12.071 1.00 0.00 O ATOM 1050 NE2 GLN A 70 -12.737 0.847 -14.296 1.00 0.00 N ATOM 0 H GLN A 70 -9.589 2.982 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.969 4.389 -12.648 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.545 2.575 -10.848 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.441 3.599 -11.953 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.107 2.674 -13.854 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.277 1.614 -12.733 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.306 1.326 -15.087 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.481 0.168 -14.455 1.00 0.00 H new ATOM 1059 N PRO A 71 -11.715 6.213 -12.035 1.00 0.00 N ATOM 1060 CA PRO A 71 -12.368 7.479 -11.689 1.00 0.00 C ATOM 1061 C PRO A 71 -13.563 7.281 -10.763 1.00 0.00 C ATOM 1062 O PRO A 71 -14.710 7.264 -11.209 1.00 0.00 O ATOM 1063 CB PRO A 71 -12.825 8.023 -13.044 1.00 0.00 C ATOM 1064 CG PRO A 71 -12.973 6.818 -13.907 1.00 0.00 C ATOM 1065 CD PRO A 71 -11.921 5.847 -13.446 1.00 0.00 C ATOM 0 HA PRO A 71 -11.699 8.149 -11.149 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.767 8.564 -12.956 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.095 8.719 -13.458 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.970 6.388 -13.810 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.836 7.072 -14.958 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.254 4.814 -13.549 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.003 5.945 -14.025 1.00 0.00 H new ATOM 1073 N GLY A 72 -13.287 7.130 -9.471 1.00 0.00 N ATOM 1074 CA GLY A 72 -14.351 6.935 -8.504 1.00 0.00 C ATOM 1075 C GLY A 72 -14.140 5.700 -7.651 1.00 0.00 C ATOM 1076 O GLY A 72 -14.690 5.593 -6.555 1.00 0.00 O ATOM 0 H GLY A 72 -12.346 7.139 -9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.417 7.811 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.303 6.853 -9.028 1.00 0.00 H new ATOM 1080 N SER A 73 -13.342 4.764 -8.155 1.00 0.00 N ATOM 1081 CA SER A 73 -13.064 3.527 -7.434 1.00 0.00 C ATOM 1082 C SER A 73 -11.835 3.682 -6.543 1.00 0.00 C ATOM 1083 O SER A 73 -10.751 4.027 -7.015 1.00 0.00 O ATOM 1084 CB SER A 73 -12.853 2.375 -8.418 1.00 0.00 C ATOM 1085 OG SER A 73 -13.597 2.577 -9.607 1.00 0.00 O ATOM 0 H SER A 73 -12.877 4.839 -9.060 1.00 0.00 H new ATOM 0 HA SER A 73 -13.923 3.303 -6.802 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.794 2.288 -8.659 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.153 1.436 -7.953 1.00 0.00 H new ATOM 0 HG SER A 73 -13.456 1.820 -10.214 1.00 0.00 H new ATOM 1091 N LEU A 74 -12.012 3.425 -5.252 1.00 0.00 N ATOM 1092 CA LEU A 74 -10.919 3.535 -4.293 1.00 0.00 C ATOM 1093 C LEU A 74 -10.319 2.166 -3.992 1.00 0.00 C ATOM 1094 O LEU A 74 -9.713 1.961 -2.940 1.00 0.00 O ATOM 1095 CB LEU A 74 -11.413 4.184 -2.999 1.00 0.00 C ATOM 1096 CG LEU A 74 -11.705 5.684 -3.069 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -10.523 6.431 -3.666 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -12.967 5.943 -3.879 1.00 0.00 C ATOM 0 H LEU A 74 -12.902 3.139 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.144 4.162 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.322 3.672 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.666 4.015 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.865 6.052 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.749 7.496 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.641 6.271 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.330 6.061 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.160 7.015 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.835 5.560 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.811 5.439 -3.408 1.00 0.00 H new ATOM 1110 N GLN A 75 -10.489 1.233 -4.923 1.00 0.00 N ATOM 1111 CA GLN A 75 -9.963 -0.117 -4.756 1.00 0.00 C ATOM 1112 C GLN A 75 -8.920 -0.430 -5.824 1.00 0.00 C ATOM 1113 O GLN A 75 -9.150 -0.212 -7.015 1.00 0.00 O ATOM 1114 CB GLN A 75 -11.098 -1.141 -4.819 1.00 0.00 C ATOM 1115 CG GLN A 75 -12.228 -0.857 -3.844 1.00 0.00 C ATOM 1116 CD GLN A 75 -13.319 -1.908 -3.893 1.00 0.00 C ATOM 1117 OE1 GLN A 75 -14.475 -1.606 -4.191 1.00 0.00 O ATOM 1118 NE2 GLN A 75 -12.957 -3.152 -3.601 1.00 0.00 N ATOM 0 H GLN A 75 -10.986 1.387 -5.800 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.485 -0.175 -3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.500 -1.163 -5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.694 -2.132 -4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.825 -0.804 -2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.659 0.119 -4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.988 -3.358 -3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.648 -3.902 -3.618 1.00 0.00 H new ATOM 1127 N LEU A 76 -7.772 -0.940 -5.392 1.00 0.00 N ATOM 1128 CA LEU A 76 -6.693 -1.283 -6.311 1.00 0.00 C ATOM 1129 C LEU A 76 -6.097 -2.645 -5.968 1.00 0.00 C ATOM 1130 O LEU A 76 -5.712 -2.897 -4.826 1.00 0.00 O ATOM 1131 CB LEU A 76 -5.602 -0.212 -6.269 1.00 0.00 C ATOM 1132 CG LEU A 76 -4.326 -0.522 -7.053 1.00 0.00 C ATOM 1133 CD1 LEU A 76 -4.654 -0.840 -8.503 1.00 0.00 C ATOM 1134 CD2 LEU A 76 -3.351 0.643 -6.967 1.00 0.00 C ATOM 0 H LEU A 76 -7.565 -1.125 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.108 -1.332 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.021 0.720 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.331 -0.038 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.854 -1.398 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.734 -1.058 -9.045 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.314 -1.707 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.150 0.016 -8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.449 0.405 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.814 1.537 -7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.090 0.823 -5.924 1.00 0.00 H new ATOM 1146 N THR A 77 -6.023 -3.521 -6.965 1.00 0.00 N ATOM 1147 CA THR A 77 -5.474 -4.856 -6.770 1.00 0.00 C ATOM 1148 C THR A 77 -3.986 -4.893 -7.100 1.00 0.00 C ATOM 1149 O THR A 77 -3.574 -4.524 -8.200 1.00 0.00 O ATOM 1150 CB THR A 77 -6.206 -5.897 -7.638 1.00 0.00 C ATOM 1151 OG1 THR A 77 -7.614 -5.845 -7.382 1.00 0.00 O ATOM 1152 CG2 THR A 77 -5.685 -7.299 -7.357 1.00 0.00 C ATOM 0 H THR A 77 -6.337 -3.329 -7.916 1.00 0.00 H new ATOM 0 HA THR A 77 -5.617 -5.105 -5.718 1.00 0.00 H new ATOM 0 HB THR A 77 -6.019 -5.661 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.072 -6.508 -7.939 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.217 -8.017 -7.982 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.619 -7.343 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.845 -7.543 -6.307 1.00 0.00 H new ATOM 1160 N VAL A 78 -3.182 -5.340 -6.140 1.00 0.00 N ATOM 1161 CA VAL A 78 -1.739 -5.427 -6.330 1.00 0.00 C ATOM 1162 C VAL A 78 -1.298 -6.871 -6.539 1.00 0.00 C ATOM 1163 O VAL A 78 -1.494 -7.722 -5.673 1.00 0.00 O ATOM 1164 CB VAL A 78 -0.979 -4.838 -5.126 1.00 0.00 C ATOM 1165 CG1 VAL A 78 0.523 -4.943 -5.341 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -1.393 -3.393 -4.890 1.00 0.00 C ATOM 0 H VAL A 78 -3.506 -5.647 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.501 -4.846 -7.221 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.236 -5.415 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.044 -4.522 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.802 -5.990 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.801 -4.392 -6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.847 -2.993 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.166 -2.800 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.463 -3.349 -4.689 1.00 0.00 H new ATOM 1176 N GLY A 79 -0.699 -7.139 -7.695 1.00 0.00 N ATOM 1177 CA GLY A 79 -0.238 -8.482 -7.997 1.00 0.00 C ATOM 1178 C GLY A 79 1.270 -8.612 -7.905 1.00 0.00 C ATOM 1179 O GLY A 79 1.954 -7.683 -7.480 1.00 0.00 O ATOM 0 H GLY A 79 -0.525 -6.451 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.703 -9.186 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.563 -8.757 -9.000 1.00 0.00 H new ATOM 1183 N ASN A 80 1.788 -9.769 -8.304 1.00 0.00 N ATOM 1184 CA ASN A 80 3.224 -10.019 -8.262 1.00 0.00 C ATOM 1185 C ASN A 80 3.717 -10.116 -6.821 1.00 0.00 C ATOM 1186 O ASN A 80 4.689 -9.462 -6.441 1.00 0.00 O ATOM 1187 CB ASN A 80 3.977 -8.908 -8.997 1.00 0.00 C ATOM 1188 CG ASN A 80 5.335 -9.362 -9.495 1.00 0.00 C ATOM 1189 OD1 ASN A 80 5.450 -9.939 -10.577 1.00 0.00 O ATOM 1190 ND2 ASN A 80 6.372 -9.104 -8.707 1.00 0.00 N ATOM 0 H ASN A 80 1.235 -10.548 -8.660 1.00 0.00 H new ATOM 0 HA ASN A 80 3.417 -10.970 -8.758 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.379 -8.565 -9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.104 -8.056 -8.329 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.310 -9.386 -8.990 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.230 -8.623 -7.819 1.00 0.00 H new ATOM 1197 N LEU A 81 3.042 -10.937 -6.025 1.00 0.00 N ATOM 1198 CA LEU A 81 3.411 -11.121 -4.626 1.00 0.00 C ATOM 1199 C LEU A 81 3.675 -12.593 -4.321 1.00 0.00 C ATOM 1200 O LEU A 81 2.836 -13.453 -4.588 1.00 0.00 O ATOM 1201 CB LEU A 81 2.306 -10.590 -3.711 1.00 0.00 C ATOM 1202 CG LEU A 81 1.682 -9.255 -4.119 1.00 0.00 C ATOM 1203 CD1 LEU A 81 0.367 -9.036 -3.388 1.00 0.00 C ATOM 1204 CD2 LEU A 81 2.645 -8.110 -3.844 1.00 0.00 C ATOM 0 H LEU A 81 2.236 -11.486 -6.324 1.00 0.00 H new ATOM 0 HA LEU A 81 4.327 -10.560 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.514 -11.338 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.713 -10.486 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 81 1.479 -9.282 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.063 -8.081 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.325 -9.841 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.545 -9.029 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.184 -7.168 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.880 -8.080 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.562 -8.261 -4.414 1.00 0.00 H new ATOM 1216 N LYS A 82 4.846 -12.875 -3.760 1.00 0.00 N ATOM 1217 CA LYS A 82 5.220 -14.241 -3.416 1.00 0.00 C ATOM 1218 C LYS A 82 4.350 -14.774 -2.281 1.00 0.00 C ATOM 1219 O LYS A 82 4.136 -14.111 -1.267 1.00 0.00 O ATOM 1220 CB LYS A 82 6.695 -14.302 -3.013 1.00 0.00 C ATOM 1221 CG LYS A 82 7.369 -15.616 -3.368 1.00 0.00 C ATOM 1222 CD LYS A 82 8.877 -15.459 -3.472 1.00 0.00 C ATOM 1223 CE LYS A 82 9.560 -15.744 -2.143 1.00 0.00 C ATOM 1224 NZ LYS A 82 9.880 -17.190 -1.983 1.00 0.00 N ATOM 0 H LYS A 82 5.553 -12.175 -3.534 1.00 0.00 H new ATOM 0 HA LYS A 82 5.064 -14.866 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.230 -13.486 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.776 -14.140 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.131 -16.364 -2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.974 -15.984 -4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.263 -16.137 -4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.117 -14.446 -3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.477 -15.159 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.914 -15.422 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.344 -17.343 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.002 -17.746 -2.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.517 -17.491 -2.748 1.00 0.00 H new ATOM 1238 N PRO A 83 3.837 -16.001 -2.454 1.00 0.00 N ATOM 1239 CA PRO A 83 2.984 -16.651 -1.455 1.00 0.00 C ATOM 1240 C PRO A 83 3.758 -17.044 -0.200 1.00 0.00 C ATOM 1241 O PRO A 83 4.985 -17.125 -0.218 1.00 0.00 O ATOM 1242 CB PRO A 83 2.473 -17.898 -2.181 1.00 0.00 C ATOM 1243 CG PRO A 83 3.508 -18.186 -3.213 1.00 0.00 C ATOM 1244 CD PRO A 83 4.051 -16.850 -3.639 1.00 0.00 C ATOM 0 HA PRO A 83 2.191 -15.991 -1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.355 -18.736 -1.494 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.499 -17.720 -2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.299 -18.817 -2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.077 -18.720 -4.060 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.106 -16.911 -3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.525 -16.462 -4.511 1.00 0.00 H new ATOM 1252 N GLU A 84 3.031 -17.288 0.885 1.00 0.00 N ATOM 1253 CA GLU A 84 3.650 -17.672 2.148 1.00 0.00 C ATOM 1254 C GLU A 84 4.712 -16.658 2.565 1.00 0.00 C ATOM 1255 O GLU A 84 5.752 -17.022 3.112 1.00 0.00 O ATOM 1256 CB GLU A 84 4.276 -19.064 2.032 1.00 0.00 C ATOM 1257 CG GLU A 84 3.361 -20.091 1.388 1.00 0.00 C ATOM 1258 CD GLU A 84 4.117 -21.291 0.850 1.00 0.00 C ATOM 1259 OE1 GLU A 84 4.565 -21.237 -0.314 1.00 0.00 O ATOM 1260 OE2 GLU A 84 4.261 -22.283 1.595 1.00 0.00 O ATOM 0 H GLU A 84 2.013 -17.227 0.915 1.00 0.00 H new ATOM 0 HA GLU A 84 2.873 -17.693 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.195 -18.993 1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.555 -19.412 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.627 -20.427 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.808 -19.620 0.575 1.00 0.00 H new ATOM 1267 N ALA A 85 4.440 -15.384 2.301 1.00 0.00 N ATOM 1268 CA ALA A 85 5.370 -14.317 2.649 1.00 0.00 C ATOM 1269 C ALA A 85 4.627 -13.085 3.156 1.00 0.00 C ATOM 1270 O ALA A 85 3.625 -12.670 2.574 1.00 0.00 O ATOM 1271 CB ALA A 85 6.234 -13.958 1.449 1.00 0.00 C ATOM 0 H ALA A 85 3.583 -15.066 1.847 1.00 0.00 H new ATOM 0 HA ALA A 85 6.014 -14.677 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.924 -13.160 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.800 -14.834 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.598 -13.622 0.630 1.00 0.00 H new ATOM 1277 N MET A 86 5.124 -12.507 4.244 1.00 0.00 N ATOM 1278 CA MET A 86 4.507 -11.322 4.829 1.00 0.00 C ATOM 1279 C MET A 86 4.799 -10.084 3.986 1.00 0.00 C ATOM 1280 O MET A 86 5.919 -9.897 3.509 1.00 0.00 O ATOM 1281 CB MET A 86 5.010 -11.111 6.258 1.00 0.00 C ATOM 1282 CG MET A 86 4.208 -10.083 7.039 1.00 0.00 C ATOM 1283 SD MET A 86 4.205 -10.406 8.813 1.00 0.00 S ATOM 1284 CE MET A 86 2.476 -10.786 9.085 1.00 0.00 C ATOM 0 H MET A 86 5.952 -12.839 4.739 1.00 0.00 H new ATOM 0 HA MET A 86 3.428 -11.478 4.851 1.00 0.00 H new ATOM 0 HB2 MET A 86 4.981 -12.062 6.789 1.00 0.00 H new ATOM 0 HB3 MET A 86 6.053 -10.797 6.225 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.620 -9.091 6.855 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.181 -10.075 6.673 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.381 -11.458 9.938 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.928 -9.865 9.286 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.065 -11.266 8.197 1.00 0.00 H new ATOM 1294 N TYR A 87 3.787 -9.244 3.807 1.00 0.00 N ATOM 1295 CA TYR A 87 3.935 -8.025 3.020 1.00 0.00 C ATOM 1296 C TYR A 87 3.164 -6.870 3.652 1.00 0.00 C ATOM 1297 O TYR A 87 2.031 -7.037 4.104 1.00 0.00 O ATOM 1298 CB TYR A 87 3.447 -8.256 1.588 1.00 0.00 C ATOM 1299 CG TYR A 87 4.486 -8.884 0.688 1.00 0.00 C ATOM 1300 CD1 TYR A 87 4.769 -10.243 0.763 1.00 0.00 C ATOM 1301 CD2 TYR A 87 5.186 -8.120 -0.237 1.00 0.00 C ATOM 1302 CE1 TYR A 87 5.718 -10.822 -0.057 1.00 0.00 C ATOM 1303 CE2 TYR A 87 6.136 -8.691 -1.063 1.00 0.00 C ATOM 1304 CZ TYR A 87 6.399 -10.041 -0.968 1.00 0.00 C ATOM 1305 OH TYR A 87 7.345 -10.613 -1.787 1.00 0.00 O ATOM 0 H TYR A 87 2.855 -9.384 4.196 1.00 0.00 H new ATOM 0 HA TYR A 87 4.993 -7.763 2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.565 -8.896 1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.137 -7.302 1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.237 -10.857 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.985 -7.062 -0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.926 -11.879 0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.669 -8.083 -1.779 1.00 0.00 H new ATOM 0 HH TYR A 87 7.731 -9.927 -2.370 1.00 0.00 H new ATOM 1315 N THR A 88 3.788 -5.697 3.680 1.00 0.00 N ATOM 1316 CA THR A 88 3.163 -4.513 4.256 1.00 0.00 C ATOM 1317 C THR A 88 2.636 -3.584 3.169 1.00 0.00 C ATOM 1318 O THR A 88 3.389 -3.129 2.308 1.00 0.00 O ATOM 1319 CB THR A 88 4.150 -3.734 5.147 1.00 0.00 C ATOM 1320 OG1 THR A 88 4.745 -4.615 6.106 1.00 0.00 O ATOM 1321 CG2 THR A 88 3.445 -2.594 5.866 1.00 0.00 C ATOM 0 H THR A 88 4.726 -5.541 3.310 1.00 0.00 H new ATOM 0 HA THR A 88 2.330 -4.862 4.867 1.00 0.00 H new ATOM 0 HB THR A 88 4.928 -3.314 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.372 -4.112 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.161 -2.058 6.489 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.019 -1.909 5.133 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.649 -2.996 6.493 1.00 0.00 H new ATOM 1329 N PHE A 89 1.337 -3.306 3.213 1.00 0.00 N ATOM 1330 CA PHE A 89 0.709 -2.431 2.230 1.00 0.00 C ATOM 1331 C PHE A 89 0.141 -1.182 2.898 1.00 0.00 C ATOM 1332 O PHE A 89 -0.339 -1.235 4.031 1.00 0.00 O ATOM 1333 CB PHE A 89 -0.403 -3.177 1.489 1.00 0.00 C ATOM 1334 CG PHE A 89 0.068 -4.428 0.803 1.00 0.00 C ATOM 1335 CD1 PHE A 89 0.379 -5.561 1.537 1.00 0.00 C ATOM 1336 CD2 PHE A 89 0.199 -4.470 -0.575 1.00 0.00 C ATOM 1337 CE1 PHE A 89 0.814 -6.712 0.909 1.00 0.00 C ATOM 1338 CE2 PHE A 89 0.632 -5.619 -1.210 1.00 0.00 C ATOM 1339 CZ PHE A 89 0.939 -6.742 -0.466 1.00 0.00 C ATOM 0 H PHE A 89 0.699 -3.674 3.919 1.00 0.00 H new ATOM 0 HA PHE A 89 1.471 -2.124 1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.191 -3.435 2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.846 -2.511 0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.280 -5.544 2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.040 -3.595 -1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.056 -7.588 1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.730 -5.639 -2.285 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.276 -7.642 -0.959 1.00 0.00 H new ATOM 1349 N ARG A 90 0.200 -0.060 2.188 1.00 0.00 N ATOM 1350 CA ARG A 90 -0.306 1.203 2.712 1.00 0.00 C ATOM 1351 C ARG A 90 -0.752 2.122 1.578 1.00 0.00 C ATOM 1352 O ARG A 90 -0.105 2.194 0.533 1.00 0.00 O ATOM 1353 CB ARG A 90 0.766 1.896 3.554 1.00 0.00 C ATOM 1354 CG ARG A 90 1.719 2.755 2.739 1.00 0.00 C ATOM 1355 CD ARG A 90 1.214 4.185 2.616 1.00 0.00 C ATOM 1356 NE ARG A 90 1.380 4.932 3.861 1.00 0.00 N ATOM 1357 CZ ARG A 90 2.560 5.303 4.344 1.00 0.00 C ATOM 1358 NH1 ARG A 90 3.673 4.998 3.691 1.00 0.00 N ATOM 1359 NH2 ARG A 90 2.629 5.981 5.482 1.00 0.00 N ATOM 0 H ARG A 90 0.593 0.000 1.249 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.169 0.987 3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.280 2.519 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.340 1.140 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.703 2.755 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.840 2.324 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.751 4.692 1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.160 4.175 2.337 1.00 0.00 H new ATOM 0 HE ARG A 90 0.543 5.182 4.388 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.624 4.477 2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.578 5.284 4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.775 6.218 5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.536 6.265 5.852 1.00 0.00 H new ATOM 1373 N VAL A 91 -1.861 2.822 1.792 1.00 0.00 N ATOM 1374 CA VAL A 91 -2.393 3.737 0.789 1.00 0.00 C ATOM 1375 C VAL A 91 -1.987 5.176 1.088 1.00 0.00 C ATOM 1376 O VAL A 91 -1.667 5.519 2.226 1.00 0.00 O ATOM 1377 CB VAL A 91 -3.929 3.654 0.712 1.00 0.00 C ATOM 1378 CG1 VAL A 91 -4.454 4.511 -0.430 1.00 0.00 C ATOM 1379 CG2 VAL A 91 -4.377 2.209 0.555 1.00 0.00 C ATOM 0 H VAL A 91 -2.409 2.773 2.651 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.972 3.435 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.343 4.040 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.541 4.440 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.164 5.549 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.034 4.159 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.465 2.169 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.954 1.794 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.034 1.627 1.410 1.00 0.00 H new ATOM 1389 N VAL A 92 -2.002 6.015 0.057 1.00 0.00 N ATOM 1390 CA VAL A 92 -1.636 7.419 0.208 1.00 0.00 C ATOM 1391 C VAL A 92 -2.305 8.279 -0.859 1.00 0.00 C ATOM 1392 O VAL A 92 -2.477 7.849 -1.999 1.00 0.00 O ATOM 1393 CB VAL A 92 -0.111 7.613 0.127 1.00 0.00 C ATOM 1394 CG1 VAL A 92 0.265 9.043 0.486 1.00 0.00 C ATOM 1395 CG2 VAL A 92 0.601 6.623 1.035 1.00 0.00 C ATOM 0 H VAL A 92 -2.264 5.747 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.982 7.733 1.193 1.00 0.00 H new ATOM 0 HB VAL A 92 0.208 7.425 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.347 9.161 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.216 9.731 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.066 9.262 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.678 6.775 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.279 6.777 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.357 5.606 0.727 1.00 0.00 H new ATOM 1405 N ALA A 93 -2.679 9.496 -0.480 1.00 0.00 N ATOM 1406 CA ALA A 93 -3.326 10.419 -1.405 1.00 0.00 C ATOM 1407 C ALA A 93 -2.316 11.385 -2.013 1.00 0.00 C ATOM 1408 O ALA A 93 -1.494 11.966 -1.305 1.00 0.00 O ATOM 1409 CB ALA A 93 -4.434 11.185 -0.697 1.00 0.00 C ATOM 0 H ALA A 93 -2.545 9.866 0.461 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.763 9.836 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.909 11.870 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.176 10.483 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.012 11.751 0.133 1.00 0.00 H new ATOM 1415 N TYR A 94 -2.383 11.553 -3.329 1.00 0.00 N ATOM 1416 CA TYR A 94 -1.472 12.447 -4.034 1.00 0.00 C ATOM 1417 C TYR A 94 -2.242 13.431 -4.908 1.00 0.00 C ATOM 1418 O TYR A 94 -2.815 13.055 -5.930 1.00 0.00 O ATOM 1419 CB TYR A 94 -0.495 11.642 -4.892 1.00 0.00 C ATOM 1420 CG TYR A 94 0.706 11.134 -4.127 1.00 0.00 C ATOM 1421 CD1 TYR A 94 1.832 11.929 -3.954 1.00 0.00 C ATOM 1422 CD2 TYR A 94 0.715 9.858 -3.576 1.00 0.00 C ATOM 1423 CE1 TYR A 94 2.932 11.469 -3.256 1.00 0.00 C ATOM 1424 CE2 TYR A 94 1.810 9.390 -2.876 1.00 0.00 C ATOM 1425 CZ TYR A 94 2.916 10.199 -2.719 1.00 0.00 C ATOM 1426 OH TYR A 94 4.009 9.737 -2.022 1.00 0.00 O ATOM 0 H TYR A 94 -3.059 11.081 -3.930 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.911 13.012 -3.290 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.022 10.794 -5.329 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.152 12.265 -5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.848 12.924 -4.373 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.149 9.221 -3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 94 3.799 12.100 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.800 8.396 -2.454 1.00 0.00 H new ATOM 0 HH TYR A 94 3.836 8.825 -1.709 1.00 0.00 H new ATOM 1436 N ASN A 95 -2.251 14.696 -4.498 1.00 0.00 N ATOM 1437 CA ASN A 95 -2.950 15.736 -5.244 1.00 0.00 C ATOM 1438 C ASN A 95 -1.972 16.789 -5.757 1.00 0.00 C ATOM 1439 O ASN A 95 -0.760 16.657 -5.590 1.00 0.00 O ATOM 1440 CB ASN A 95 -4.012 16.397 -4.363 1.00 0.00 C ATOM 1441 CG ASN A 95 -3.470 17.591 -3.600 1.00 0.00 C ATOM 1442 OD1 ASN A 95 -3.512 18.722 -4.084 1.00 0.00 O ATOM 1443 ND2 ASN A 95 -2.956 17.342 -2.401 1.00 0.00 N ATOM 0 H ASN A 95 -1.782 15.025 -3.654 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.436 15.270 -6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.849 16.716 -4.985 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.401 15.664 -3.656 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.575 18.105 -1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.942 16.388 -2.040 1.00 0.00 H new ATOM 1450 N GLU A 96 -2.508 17.833 -6.381 1.00 0.00 N ATOM 1451 CA GLU A 96 -1.682 18.907 -6.919 1.00 0.00 C ATOM 1452 C GLU A 96 -0.569 19.278 -5.943 1.00 0.00 C ATOM 1453 O GLU A 96 0.614 19.201 -6.276 1.00 0.00 O ATOM 1454 CB GLU A 96 -2.540 20.137 -7.222 1.00 0.00 C ATOM 1455 CG GLU A 96 -3.160 20.120 -8.609 1.00 0.00 C ATOM 1456 CD GLU A 96 -3.705 21.474 -9.021 1.00 0.00 C ATOM 1457 OE1 GLU A 96 -3.261 22.492 -8.450 1.00 0.00 O ATOM 1458 OE2 GLU A 96 -4.577 21.515 -9.915 1.00 0.00 O ATOM 0 H GLU A 96 -3.510 17.958 -6.526 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.228 18.553 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.334 20.207 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.926 21.032 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.412 19.798 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.965 19.386 -8.634 1.00 0.00 H new ATOM 1465 N TRP A 97 -0.957 19.680 -4.738 1.00 0.00 N ATOM 1466 CA TRP A 97 0.008 20.063 -3.713 1.00 0.00 C ATOM 1467 C TRP A 97 1.054 18.972 -3.514 1.00 0.00 C ATOM 1468 O TRP A 97 2.237 19.176 -3.781 1.00 0.00 O ATOM 1469 CB TRP A 97 -0.707 20.349 -2.392 1.00 0.00 C ATOM 1470 CG TRP A 97 -1.780 21.388 -2.510 1.00 0.00 C ATOM 1471 CD1 TRP A 97 -3.085 21.266 -2.125 1.00 0.00 C ATOM 1472 CD2 TRP A 97 -1.641 22.707 -3.051 1.00 0.00 C ATOM 1473 NE1 TRP A 97 -3.765 22.430 -2.394 1.00 0.00 N ATOM 1474 CE2 TRP A 97 -2.902 23.329 -2.961 1.00 0.00 C ATOM 1475 CE3 TRP A 97 -0.574 23.422 -3.600 1.00 0.00 C ATOM 1476 CZ2 TRP A 97 -3.121 24.631 -3.402 1.00 0.00 C ATOM 1477 CZ3 TRP A 97 -0.794 24.715 -4.037 1.00 0.00 C ATOM 1478 CH2 TRP A 97 -2.059 25.309 -3.935 1.00 0.00 C ATOM 0 H TRP A 97 -1.932 19.749 -4.447 1.00 0.00 H new ATOM 0 HA TRP A 97 0.515 20.968 -4.047 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.146 19.424 -2.017 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.026 20.676 -1.654 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -3.519 20.385 -1.676 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -4.753 22.597 -2.202 1.00 0.00 H new ATOM 0 HE3 TRP A 97 0.405 22.973 -3.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -4.096 25.090 -3.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.023 25.277 -4.464 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.198 26.322 -4.284 1.00 0.00 H new ATOM 1489 N GLY A 98 0.609 17.810 -3.044 1.00 0.00 N ATOM 1490 CA GLY A 98 1.520 16.704 -2.817 1.00 0.00 C ATOM 1491 C GLY A 98 0.914 15.624 -1.943 1.00 0.00 C ATOM 1492 O GLY A 98 -0.303 15.538 -1.779 1.00 0.00 O ATOM 0 H GLY A 98 -0.366 17.616 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.808 16.272 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.431 17.078 -2.349 1.00 0.00 H new ATOM 1496 N PRO A 99 1.775 14.772 -1.366 1.00 0.00 N ATOM 1497 CA PRO A 99 1.340 13.676 -0.496 1.00 0.00 C ATOM 1498 C PRO A 99 0.790 14.176 0.836 1.00 0.00 C ATOM 1499 O PRO A 99 1.505 14.801 1.618 1.00 0.00 O ATOM 1500 CB PRO A 99 2.622 12.868 -0.275 1.00 0.00 C ATOM 1501 CG PRO A 99 3.726 13.848 -0.475 1.00 0.00 C ATOM 1502 CD PRO A 99 3.239 14.814 -1.519 1.00 0.00 C ATOM 0 HA PRO A 99 0.528 13.101 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.651 12.438 0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.695 12.040 -0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.962 14.365 0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.638 13.347 -0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.632 15.817 -1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.547 14.513 -2.520 1.00 0.00 H new ATOM 1510 N GLY A 100 -0.485 13.895 1.087 1.00 0.00 N ATOM 1511 CA GLY A 100 -1.108 14.324 2.326 1.00 0.00 C ATOM 1512 C GLY A 100 -1.010 13.277 3.417 1.00 0.00 C ATOM 1513 O GLY A 100 -0.024 12.545 3.496 1.00 0.00 O ATOM 0 H GLY A 100 -1.097 13.379 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.635 15.245 2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.157 14.554 2.141 1.00 0.00 H new ATOM 1517 N GLU A 101 -2.033 13.207 4.263 1.00 0.00 N ATOM 1518 CA GLU A 101 -2.055 12.244 5.357 1.00 0.00 C ATOM 1519 C GLU A 101 -2.042 10.814 4.823 1.00 0.00 C ATOM 1520 O GLU A 101 -2.831 10.460 3.947 1.00 0.00 O ATOM 1521 CB GLU A 101 -3.290 12.461 6.233 1.00 0.00 C ATOM 1522 CG GLU A 101 -3.099 12.022 7.675 1.00 0.00 C ATOM 1523 CD GLU A 101 -4.115 12.643 8.614 1.00 0.00 C ATOM 1524 OE1 GLU A 101 -5.262 12.875 8.178 1.00 0.00 O ATOM 1525 OE2 GLU A 101 -3.764 12.895 9.785 1.00 0.00 O ATOM 0 H GLU A 101 -2.857 13.806 4.211 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.160 12.397 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.556 13.518 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.130 11.914 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.173 10.936 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.095 12.291 8.003 1.00 0.00 H new ATOM 1532 N SER A 102 -1.140 9.997 5.358 1.00 0.00 N ATOM 1533 CA SER A 102 -1.021 8.607 4.933 1.00 0.00 C ATOM 1534 C SER A 102 -1.759 7.680 5.894 1.00 0.00 C ATOM 1535 O SER A 102 -1.684 7.843 7.112 1.00 0.00 O ATOM 1536 CB SER A 102 0.452 8.203 4.847 1.00 0.00 C ATOM 1537 OG SER A 102 1.168 9.066 3.980 1.00 0.00 O ATOM 0 H SER A 102 -0.481 10.273 6.086 1.00 0.00 H new ATOM 0 HA SER A 102 -1.474 8.514 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.898 8.229 5.841 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.530 7.176 4.489 1.00 0.00 H new ATOM 0 HG SER A 102 2.107 8.788 3.944 1.00 0.00 H new ATOM 1543 N SER A 103 -2.471 6.707 5.337 1.00 0.00 N ATOM 1544 CA SER A 103 -3.227 5.755 6.143 1.00 0.00 C ATOM 1545 C SER A 103 -2.290 4.792 6.866 1.00 0.00 C ATOM 1546 O SER A 103 -1.197 4.494 6.385 1.00 0.00 O ATOM 1547 CB SER A 103 -4.203 4.971 5.263 1.00 0.00 C ATOM 1548 OG SER A 103 -3.552 4.453 4.116 1.00 0.00 O ATOM 0 H SER A 103 -2.541 6.556 4.331 1.00 0.00 H new ATOM 0 HA SER A 103 -3.791 6.315 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.640 4.154 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.024 5.620 4.957 1.00 0.00 H new ATOM 0 HG SER A 103 -3.623 3.476 4.113 1.00 0.00 H new ATOM 1554 N GLN A 104 -2.728 4.309 8.024 1.00 0.00 N ATOM 1555 CA GLN A 104 -1.929 3.380 8.815 1.00 0.00 C ATOM 1556 C GLN A 104 -1.559 2.147 7.997 1.00 0.00 C ATOM 1557 O GLN A 104 -2.382 1.576 7.282 1.00 0.00 O ATOM 1558 CB GLN A 104 -2.692 2.961 10.073 1.00 0.00 C ATOM 1559 CG GLN A 104 -1.881 2.082 11.012 1.00 0.00 C ATOM 1560 CD GLN A 104 -1.030 2.887 11.975 1.00 0.00 C ATOM 1561 OE1 GLN A 104 0.165 2.633 12.127 1.00 0.00 O ATOM 1562 NE2 GLN A 104 -1.643 3.864 12.632 1.00 0.00 N ATOM 0 H GLN A 104 -3.631 4.545 8.435 1.00 0.00 H new ATOM 0 HA GLN A 104 -1.011 3.889 9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.010 3.855 10.610 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -3.596 2.427 9.779 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -2.557 1.441 11.578 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.238 1.426 10.425 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.635 4.040 12.475 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -1.122 4.439 13.294 1.00 0.00 H new ATOM 1571 N PRO A 105 -0.289 1.726 8.102 1.00 0.00 N ATOM 1572 CA PRO A 105 0.219 0.557 7.378 1.00 0.00 C ATOM 1573 C PRO A 105 -0.361 -0.750 7.908 1.00 0.00 C ATOM 1574 O PRO A 105 -0.379 -0.987 9.116 1.00 0.00 O ATOM 1575 CB PRO A 105 1.728 0.613 7.630 1.00 0.00 C ATOM 1576 CG PRO A 105 1.871 1.361 8.911 1.00 0.00 C ATOM 1577 CD PRO A 105 0.747 2.359 8.935 1.00 0.00 C ATOM 0 HA PRO A 105 -0.052 0.581 6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.154 -0.387 7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.247 1.119 6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.812 0.687 9.765 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.838 1.861 8.965 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.392 2.540 9.950 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.056 3.322 8.529 1.00 0.00 H new ATOM 1585 N ILE A 106 -0.834 -1.594 6.997 1.00 0.00 N ATOM 1586 CA ILE A 106 -1.414 -2.877 7.374 1.00 0.00 C ATOM 1587 C ILE A 106 -0.529 -4.034 6.922 1.00 0.00 C ATOM 1588 O ILE A 106 0.163 -3.942 5.907 1.00 0.00 O ATOM 1589 CB ILE A 106 -2.821 -3.057 6.774 1.00 0.00 C ATOM 1590 CG1 ILE A 106 -2.755 -3.025 5.245 1.00 0.00 C ATOM 1591 CG2 ILE A 106 -3.760 -1.978 7.292 1.00 0.00 C ATOM 1592 CD1 ILE A 106 -3.910 -3.736 4.576 1.00 0.00 C ATOM 0 H ILE A 106 -0.827 -1.412 5.993 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.488 -2.882 8.461 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.210 -4.028 7.082 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.735 -1.987 4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.820 -3.482 4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.750 -2.119 6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.826 -2.044 8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.377 -0.997 7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.798 -3.673 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.918 -4.783 4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.848 -3.265 4.872 1.00 0.00 H new ATOM 1604 N LYS A 107 -0.556 -5.124 7.681 1.00 0.00 N ATOM 1605 CA LYS A 107 0.241 -6.301 7.359 1.00 0.00 C ATOM 1606 C LYS A 107 -0.649 -7.453 6.902 1.00 0.00 C ATOM 1607 O LYS A 107 -1.535 -7.894 7.635 1.00 0.00 O ATOM 1608 CB LYS A 107 1.067 -6.732 8.573 1.00 0.00 C ATOM 1609 CG LYS A 107 2.439 -6.084 8.636 1.00 0.00 C ATOM 1610 CD LYS A 107 3.476 -6.900 7.883 1.00 0.00 C ATOM 1611 CE LYS A 107 4.887 -6.579 8.352 1.00 0.00 C ATOM 1612 NZ LYS A 107 5.157 -7.125 9.711 1.00 0.00 N ATOM 0 H LYS A 107 -1.122 -5.217 8.524 1.00 0.00 H new ATOM 0 HA LYS A 107 0.915 -6.039 6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.517 -6.487 9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.187 -7.815 8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.388 -5.080 8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.744 -5.977 9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.277 -7.962 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.392 -6.700 6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.607 -6.991 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.030 -5.498 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.180 -7.098 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.659 -6.551 10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.821 -8.108 9.763 1.00 0.00 H new ATOM 1626 N VAL A 108 -0.407 -7.937 5.688 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.186 -9.039 5.135 1.00 0.00 C ATOM 1628 C VAL A 108 -0.277 -10.124 4.570 1.00 0.00 C ATOM 1629 O VAL A 108 0.652 -9.839 3.815 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.138 -8.552 4.026 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -3.073 -9.672 3.597 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -2.926 -7.339 4.495 1.00 0.00 C ATOM 0 H VAL A 108 0.322 -7.583 5.069 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.776 -9.453 5.953 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.542 -8.257 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.738 -9.310 2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.487 -10.510 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.664 -10.000 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.593 -7.009 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.513 -7.604 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.237 -6.533 4.749 1.00 0.00 H new ATOM 1642 N ALA A 109 -0.551 -11.370 4.941 1.00 0.00 N ATOM 1643 CA ALA A 109 0.241 -12.500 4.469 1.00 0.00 C ATOM 1644 C ALA A 109 -0.467 -13.229 3.333 1.00 0.00 C ATOM 1645 O ALA A 109 -1.568 -13.754 3.508 1.00 0.00 O ATOM 1646 CB ALA A 109 0.529 -13.458 5.616 1.00 0.00 C ATOM 0 H ALA A 109 -1.315 -11.623 5.567 1.00 0.00 H new ATOM 0 HA ALA A 109 1.186 -12.115 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.121 -14.297 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.083 -12.936 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.411 -13.828 6.025 1.00 0.00 H new ATOM 1652 N THR A 110 0.170 -13.259 2.167 1.00 0.00 N ATOM 1653 CA THR A 110 -0.399 -13.923 1.001 1.00 0.00 C ATOM 1654 C THR A 110 -0.905 -15.317 1.354 1.00 0.00 C ATOM 1655 O THR A 110 -0.670 -15.810 2.457 1.00 0.00 O ATOM 1656 CB THR A 110 0.630 -14.036 -0.140 1.00 0.00 C ATOM 1657 OG1 THR A 110 1.942 -14.225 0.401 1.00 0.00 O ATOM 1658 CG2 THR A 110 0.610 -12.789 -1.012 1.00 0.00 C ATOM 0 H THR A 110 1.081 -12.831 2.005 1.00 0.00 H new ATOM 0 HA THR A 110 -1.236 -13.310 0.666 1.00 0.00 H new ATOM 0 HB THR A 110 0.364 -14.895 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.607 -14.125 -0.312 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.345 -12.892 -1.811 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.382 -12.664 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.853 -11.917 -0.405 1.00 0.00 H new ATOM 1666 N GLN A 111 -1.598 -15.947 0.411 1.00 0.00 N ATOM 1667 CA GLN A 111 -2.136 -17.285 0.624 1.00 0.00 C ATOM 1668 C GLN A 111 -1.058 -18.344 0.421 1.00 0.00 C ATOM 1669 O GLN A 111 -0.096 -18.151 -0.322 1.00 0.00 O ATOM 1670 CB GLN A 111 -3.307 -17.544 -0.325 1.00 0.00 C ATOM 1671 CG GLN A 111 -4.411 -16.504 -0.228 1.00 0.00 C ATOM 1672 CD GLN A 111 -5.705 -16.963 -0.871 1.00 0.00 C ATOM 1673 OE1 GLN A 111 -5.774 -16.872 -2.194 1.00 0.00 O flip ATOM 1674 NE2 GLN A 111 -6.632 -17.397 -0.186 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.800 -15.552 -0.508 1.00 0.00 H new ATOM 0 HA GLN A 111 -2.491 -17.347 1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.934 -17.572 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -3.726 -18.527 -0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -4.594 -16.271 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.079 -15.582 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -6.536 -17.449 0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -7.496 -17.704 -0.633 1.00 0.00 H new ATOM 1683 N PRO A 112 -1.219 -19.491 1.098 1.00 0.00 N ATOM 1684 CA PRO A 112 -0.269 -20.603 1.008 1.00 0.00 C ATOM 1685 C PRO A 112 -0.305 -21.288 -0.354 1.00 0.00 C ATOM 1686 O PRO A 112 0.309 -22.336 -0.547 1.00 0.00 O ATOM 1687 CB PRO A 112 -0.742 -21.563 2.102 1.00 0.00 C ATOM 1688 CG PRO A 112 -2.191 -21.262 2.270 1.00 0.00 C ATOM 1689 CD PRO A 112 -2.341 -19.789 2.003 1.00 0.00 C ATOM 0 HA PRO A 112 0.761 -20.269 1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.585 -22.602 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -0.195 -21.405 3.031 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.794 -21.848 1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -2.528 -21.513 3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -3.301 -19.560 1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.282 -19.206 2.922 1.00 0.00 H new