USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 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 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 174:sc= -0.185 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc=-0.00548 X(o=-0.0055,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 52 THR OG1 : rot 128:sc= 1.51 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.084) USER MOD Single : A 68 THR OG1 : rot -3:sc= 0.859 USER MOD Single : A 69 THR OG1 : rot 124:sc= 0.0174 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 150:sc= -0.674 USER MOD Single : A 80 ASN :FLIP amide:sc= 0.11! F(o=-0.94,f=0.11!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 172:sc= -0.0135 (180deg=-0.0881) USER MOD Single : A 87 TYR OH : rot -15:sc= 0 USER MOD Single : A 88 THR OG1 : rot 87:sc= 0.215 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -7.29! C(o=-7.3!,f=-13!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -89:sc= 0.0192 USER MOD Single : A 104 GLN : amide:sc= -2.87! C(o=-2.9!,f=-4.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -172:sc= 0.335 USER MOD Single : A 111 GLN : amide:sc= -2.28 X(o=-2.3,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 16 -3.298 21.943 3.159 1.00 0.00 N ATOM 179 CA VAL A 16 -3.990 21.702 1.898 1.00 0.00 C ATOM 180 C VAL A 16 -3.844 20.250 1.459 1.00 0.00 C ATOM 181 O VAL A 16 -4.558 19.783 0.570 1.00 0.00 O ATOM 182 CB VAL A 16 -3.457 22.620 0.781 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.012 24.028 0.937 1.00 0.00 C ATOM 184 CG2 VAL A 16 -1.935 22.635 0.785 1.00 0.00 C ATOM 0 HA VAL A 16 -5.044 21.923 2.069 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.792 22.227 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.625 24.662 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.100 23.998 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.709 24.434 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.575 23.288 -0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.577 23.003 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.561 21.624 0.621 1.00 0.00 H new ATOM 194 N LEU A 17 -2.915 19.538 2.088 1.00 0.00 N ATOM 195 CA LEU A 17 -2.674 18.136 1.763 1.00 0.00 C ATOM 196 C LEU A 17 -3.808 17.256 2.278 1.00 0.00 C ATOM 197 O LEU A 17 -4.431 17.540 3.302 1.00 0.00 O ATOM 198 CB LEU A 17 -1.344 17.675 2.360 1.00 0.00 C ATOM 199 CG LEU A 17 -0.089 18.344 1.799 1.00 0.00 C ATOM 200 CD1 LEU A 17 -0.294 18.728 0.341 1.00 0.00 C ATOM 201 CD2 LEU A 17 0.280 19.567 2.627 1.00 0.00 C ATOM 0 H LEU A 17 -2.316 19.908 2.826 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.630 18.042 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.373 17.847 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.255 16.599 2.211 1.00 0.00 H new ATOM 0 HG LEU A 17 0.734 17.631 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.610 19.203 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.509 17.834 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.130 19.423 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.176 20.030 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.542 20.283 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.471 19.265 3.657 1.00 0.00 H new ATOM 213 N PRO A 18 -4.083 16.160 1.555 1.00 0.00 N ATOM 214 CA PRO A 18 -5.141 15.214 1.922 1.00 0.00 C ATOM 215 C PRO A 18 -4.799 14.419 3.177 1.00 0.00 C ATOM 216 O PRO A 18 -3.657 14.001 3.366 1.00 0.00 O ATOM 217 CB PRO A 18 -5.224 14.287 0.707 1.00 0.00 C ATOM 218 CG PRO A 18 -3.874 14.361 0.081 1.00 0.00 C ATOM 219 CD PRO A 18 -3.381 15.760 0.324 1.00 0.00 C ATOM 0 HA PRO A 18 -6.078 15.720 2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.468 13.267 1.003 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.000 14.611 0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.199 13.627 0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.926 14.146 -0.986 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.299 15.788 0.451 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.621 16.421 -0.509 1.00 0.00 H new ATOM 227 N SER A 19 -5.795 14.214 4.032 1.00 0.00 N ATOM 228 CA SER A 19 -5.598 13.472 5.272 1.00 0.00 C ATOM 229 C SER A 19 -5.510 11.973 4.999 1.00 0.00 C ATOM 230 O SER A 19 -6.004 11.486 3.983 1.00 0.00 O ATOM 231 CB SER A 19 -6.739 13.758 6.249 1.00 0.00 C ATOM 232 OG SER A 19 -7.896 13.011 5.915 1.00 0.00 O ATOM 0 H SER A 19 -6.747 14.551 3.889 1.00 0.00 H new ATOM 0 HA SER A 19 -4.658 13.799 5.717 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.424 13.512 7.263 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.974 14.822 6.237 1.00 0.00 H new ATOM 0 HG SER A 19 -8.610 13.210 6.556 1.00 0.00 H new ATOM 238 N ALA A 20 -4.878 11.248 5.916 1.00 0.00 N ATOM 239 CA ALA A 20 -4.726 9.805 5.776 1.00 0.00 C ATOM 240 C ALA A 20 -6.069 9.096 5.913 1.00 0.00 C ATOM 241 O ALA A 20 -6.888 9.426 6.771 1.00 0.00 O ATOM 242 CB ALA A 20 -3.740 9.276 6.808 1.00 0.00 C ATOM 0 H ALA A 20 -4.463 11.636 6.763 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.337 9.600 4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.636 8.197 6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.770 9.752 6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.107 9.500 7.810 1.00 0.00 H new ATOM 248 N PRO A 21 -6.304 8.099 5.047 1.00 0.00 N ATOM 249 CA PRO A 21 -7.547 7.323 5.052 1.00 0.00 C ATOM 250 C PRO A 21 -7.663 6.419 6.275 1.00 0.00 C ATOM 251 O PRO A 21 -6.777 6.401 7.130 1.00 0.00 O ATOM 252 CB PRO A 21 -7.446 6.484 3.775 1.00 0.00 C ATOM 253 CG PRO A 21 -5.985 6.366 3.514 1.00 0.00 C ATOM 254 CD PRO A 21 -5.372 7.651 3.998 1.00 0.00 C ATOM 0 HA PRO A 21 -8.427 7.965 5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.905 5.504 3.908 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.959 6.966 2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.563 5.510 4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.789 6.216 2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.368 7.494 4.393 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.288 8.384 3.195 1.00 0.00 H new ATOM 262 N ARG A 22 -8.759 5.672 6.351 1.00 0.00 N ATOM 263 CA ARG A 22 -8.990 4.767 7.471 1.00 0.00 C ATOM 264 C ARG A 22 -8.066 3.555 7.390 1.00 0.00 C ATOM 265 O ARG A 22 -7.335 3.383 6.414 1.00 0.00 O ATOM 266 CB ARG A 22 -10.449 4.308 7.491 1.00 0.00 C ATOM 267 CG ARG A 22 -10.782 3.290 6.413 1.00 0.00 C ATOM 268 CD ARG A 22 -11.945 2.401 6.828 1.00 0.00 C ATOM 269 NE ARG A 22 -12.586 1.767 5.678 1.00 0.00 N ATOM 270 CZ ARG A 22 -13.828 1.296 5.697 1.00 0.00 C ATOM 271 NH1 ARG A 22 -14.558 1.386 6.800 1.00 0.00 N ATOM 272 NH2 ARG A 22 -14.342 0.733 4.611 1.00 0.00 N ATOM 0 H ARG A 22 -9.501 5.675 5.651 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.773 5.307 8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.672 3.877 8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.096 5.177 7.371 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.030 3.807 5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.906 2.674 6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.587 1.632 7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.680 2.995 7.371 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.051 1.681 4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.166 1.818 7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.511 1.023 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.783 0.662 3.761 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.296 0.372 4.627 1.00 0.00 H new ATOM 286 N ASP A 23 -8.104 2.719 8.421 1.00 0.00 N ATOM 287 CA ASP A 23 -7.271 1.522 8.467 1.00 0.00 C ATOM 288 C ASP A 23 -7.503 0.651 7.236 1.00 0.00 C ATOM 289 O ASP A 23 -8.327 -0.263 7.257 1.00 0.00 O ATOM 290 CB ASP A 23 -7.561 0.721 9.737 1.00 0.00 C ATOM 291 CG ASP A 23 -6.983 -0.679 9.682 1.00 0.00 C ATOM 292 OD1 ASP A 23 -5.857 -0.837 9.164 1.00 0.00 O ATOM 293 OD2 ASP A 23 -7.655 -1.617 10.159 1.00 0.00 O ATOM 0 H ASP A 23 -8.703 2.848 9.237 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.227 1.836 8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.149 1.248 10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.639 0.660 9.887 1.00 0.00 H new ATOM 298 N VAL A 24 -6.772 0.942 6.165 1.00 0.00 N ATOM 299 CA VAL A 24 -6.898 0.185 4.925 1.00 0.00 C ATOM 300 C VAL A 24 -7.132 -1.295 5.206 1.00 0.00 C ATOM 301 O VAL A 24 -6.272 -1.975 5.767 1.00 0.00 O ATOM 302 CB VAL A 24 -5.644 0.338 4.044 1.00 0.00 C ATOM 303 CG1 VAL A 24 -5.809 -0.432 2.742 1.00 0.00 C ATOM 304 CG2 VAL A 24 -5.361 1.807 3.772 1.00 0.00 C ATOM 0 H VAL A 24 -6.086 1.696 6.131 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.758 0.591 4.392 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.791 -0.080 4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.913 -0.312 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.960 -1.489 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.672 -0.047 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.472 1.897 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.212 2.252 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.196 2.327 4.716 1.00 0.00 H new ATOM 314 N VAL A 25 -8.301 -1.790 4.811 1.00 0.00 N ATOM 315 CA VAL A 25 -8.647 -3.191 5.019 1.00 0.00 C ATOM 316 C VAL A 25 -8.497 -3.991 3.730 1.00 0.00 C ATOM 317 O VAL A 25 -8.900 -3.558 2.650 1.00 0.00 O ATOM 318 CB VAL A 25 -10.089 -3.341 5.538 1.00 0.00 C ATOM 319 CG1 VAL A 25 -10.183 -2.899 6.990 1.00 0.00 C ATOM 320 CG2 VAL A 25 -11.054 -2.549 4.668 1.00 0.00 C ATOM 0 H VAL A 25 -9.024 -1.242 4.345 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.957 -3.580 5.767 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.368 -4.393 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.209 -3.012 7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.522 -3.514 7.601 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.885 -1.854 7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.068 -2.667 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.779 -1.494 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.007 -2.918 3.643 1.00 0.00 H new ATOM 330 N PRO A 26 -7.902 -5.188 3.843 1.00 0.00 N ATOM 331 CA PRO A 26 -7.685 -6.075 2.696 1.00 0.00 C ATOM 332 C PRO A 26 -8.988 -6.663 2.163 1.00 0.00 C ATOM 333 O PRO A 26 -9.331 -7.808 2.459 1.00 0.00 O ATOM 334 CB PRO A 26 -6.794 -7.181 3.267 1.00 0.00 C ATOM 335 CG PRO A 26 -7.092 -7.193 4.726 1.00 0.00 C ATOM 336 CD PRO A 26 -7.396 -5.768 5.098 1.00 0.00 C ATOM 0 HA PRO A 26 -7.244 -5.547 1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.017 -8.145 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.740 -6.976 3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.939 -7.843 4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.243 -7.572 5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -8.137 -5.710 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.507 -5.247 5.452 1.00 0.00 H new ATOM 344 N VAL A 27 -9.710 -5.872 1.375 1.00 0.00 N ATOM 345 CA VAL A 27 -10.974 -6.315 0.800 1.00 0.00 C ATOM 346 C VAL A 27 -10.851 -7.718 0.216 1.00 0.00 C ATOM 347 O VAL A 27 -11.822 -8.474 0.176 1.00 0.00 O ATOM 348 CB VAL A 27 -11.456 -5.353 -0.302 1.00 0.00 C ATOM 349 CG1 VAL A 27 -10.372 -5.154 -1.350 1.00 0.00 C ATOM 350 CG2 VAL A 27 -12.736 -5.873 -0.939 1.00 0.00 C ATOM 0 H VAL A 27 -9.441 -4.922 1.121 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.704 -6.325 1.609 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.669 -4.385 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.731 -4.471 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.483 -4.734 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.123 -6.114 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.063 -5.181 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.551 -6.853 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.512 -5.958 -0.179 1.00 0.00 H new ATOM 360 N LEU A 28 -9.649 -8.061 -0.236 1.00 0.00 N ATOM 361 CA LEU A 28 -9.397 -9.375 -0.818 1.00 0.00 C ATOM 362 C LEU A 28 -7.910 -9.709 -0.784 1.00 0.00 C ATOM 363 O LEU A 28 -7.066 -8.822 -0.655 1.00 0.00 O ATOM 364 CB LEU A 28 -9.910 -9.423 -2.258 1.00 0.00 C ATOM 365 CG LEU A 28 -10.343 -10.797 -2.771 1.00 0.00 C ATOM 366 CD1 LEU A 28 -11.716 -11.161 -2.227 1.00 0.00 C ATOM 367 CD2 LEU A 28 -10.346 -10.822 -4.293 1.00 0.00 C ATOM 0 H LEU A 28 -8.834 -7.448 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.930 -10.117 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.757 -8.742 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.127 -9.043 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.626 -11.538 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.008 -12.142 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.681 -11.185 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.444 -10.417 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.657 -11.807 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.040 -10.070 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.343 -10.607 -4.662 1.00 0.00 H new ATOM 379 N VAL A 29 -7.594 -10.995 -0.902 1.00 0.00 N ATOM 380 CA VAL A 29 -6.208 -11.447 -0.888 1.00 0.00 C ATOM 381 C VAL A 29 -6.029 -12.696 -1.743 1.00 0.00 C ATOM 382 O VAL A 29 -6.517 -13.772 -1.399 1.00 0.00 O ATOM 383 CB VAL A 29 -5.730 -11.747 0.546 1.00 0.00 C ATOM 384 CG1 VAL A 29 -4.244 -12.069 0.556 1.00 0.00 C ATOM 385 CG2 VAL A 29 -6.036 -10.574 1.465 1.00 0.00 C ATOM 0 H VAL A 29 -8.280 -11.742 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.607 -10.638 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.269 -12.619 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.924 -12.278 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.057 -12.942 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.685 -11.218 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.692 -10.803 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.525 -9.683 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.111 -10.395 1.480 1.00 0.00 H new ATOM 395 N SER A 30 -5.325 -12.545 -2.860 1.00 0.00 N ATOM 396 CA SER A 30 -5.083 -13.661 -3.768 1.00 0.00 C ATOM 397 C SER A 30 -3.686 -14.238 -3.559 1.00 0.00 C ATOM 398 O SER A 30 -2.847 -13.635 -2.891 1.00 0.00 O ATOM 399 CB SER A 30 -5.249 -13.209 -5.220 1.00 0.00 C ATOM 400 OG SER A 30 -4.883 -14.241 -6.120 1.00 0.00 O ATOM 0 H SER A 30 -4.912 -11.661 -3.158 1.00 0.00 H new ATOM 0 HA SER A 30 -5.815 -14.439 -3.551 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.284 -12.918 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.634 -12.328 -5.403 1.00 0.00 H new ATOM 0 HG SER A 30 -5.094 -13.966 -7.037 1.00 0.00 H new ATOM 406 N SER A 31 -3.445 -15.411 -4.136 1.00 0.00 N ATOM 407 CA SER A 31 -2.152 -16.073 -4.011 1.00 0.00 C ATOM 408 C SER A 31 -1.113 -15.411 -4.911 1.00 0.00 C ATOM 409 O SER A 31 0.063 -15.774 -4.891 1.00 0.00 O ATOM 410 CB SER A 31 -2.279 -17.556 -4.365 1.00 0.00 C ATOM 411 OG SER A 31 -2.405 -17.738 -5.765 1.00 0.00 O ATOM 0 H SER A 31 -4.128 -15.922 -4.695 1.00 0.00 H new ATOM 0 HA SER A 31 -1.822 -15.980 -2.976 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.404 -18.096 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.147 -17.980 -3.861 1.00 0.00 H new ATOM 0 HG SER A 31 -2.483 -18.694 -5.965 1.00 0.00 H new ATOM 417 N ARG A 32 -1.557 -14.437 -5.699 1.00 0.00 N ATOM 418 CA ARG A 32 -0.667 -13.724 -6.608 1.00 0.00 C ATOM 419 C ARG A 32 -0.802 -12.215 -6.427 1.00 0.00 C ATOM 420 O ARG A 32 0.157 -11.468 -6.622 1.00 0.00 O ATOM 421 CB ARG A 32 -0.972 -14.105 -8.058 1.00 0.00 C ATOM 422 CG ARG A 32 -0.249 -13.242 -9.079 1.00 0.00 C ATOM 423 CD ARG A 32 1.122 -13.809 -9.416 1.00 0.00 C ATOM 424 NE ARG A 32 1.030 -15.121 -10.051 1.00 0.00 N ATOM 425 CZ ARG A 32 2.087 -15.871 -10.343 1.00 0.00 C ATOM 426 NH1 ARG A 32 3.308 -15.441 -10.058 1.00 0.00 N ATOM 427 NH2 ARG A 32 1.922 -17.054 -10.920 1.00 0.00 N ATOM 0 H ARG A 32 -2.527 -14.124 -5.726 1.00 0.00 H new ATOM 0 HA ARG A 32 0.358 -14.011 -6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.697 -15.148 -8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.046 -14.029 -8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.848 -13.171 -9.987 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.140 -12.230 -8.690 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.646 -13.121 -10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.716 -13.888 -8.505 1.00 0.00 H new ATOM 0 HE ARG A 32 0.104 -15.481 -10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.438 -14.532 -9.613 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.118 -16.019 -10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.984 -17.388 -11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.734 -17.630 -11.144 1.00 0.00 H new ATOM 441 N PHE A 33 -1.999 -11.773 -6.055 1.00 0.00 N ATOM 442 CA PHE A 33 -2.260 -10.353 -5.850 1.00 0.00 C ATOM 443 C PHE A 33 -2.997 -10.120 -4.535 1.00 0.00 C ATOM 444 O PHE A 33 -3.437 -11.065 -3.880 1.00 0.00 O ATOM 445 CB PHE A 33 -3.079 -9.790 -7.013 1.00 0.00 C ATOM 446 CG PHE A 33 -4.470 -10.352 -7.094 1.00 0.00 C ATOM 447 CD1 PHE A 33 -5.462 -9.906 -6.236 1.00 0.00 C ATOM 448 CD2 PHE A 33 -4.785 -11.325 -8.029 1.00 0.00 C ATOM 449 CE1 PHE A 33 -6.742 -10.422 -6.307 1.00 0.00 C ATOM 450 CE2 PHE A 33 -6.064 -11.844 -8.105 1.00 0.00 C ATOM 451 CZ PHE A 33 -7.044 -11.391 -7.244 1.00 0.00 C ATOM 0 H PHE A 33 -2.803 -12.378 -5.889 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.302 -9.836 -5.806 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.139 -8.706 -6.914 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.557 -9.996 -7.948 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.232 -9.146 -5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.023 -11.682 -8.706 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.506 -10.068 -5.630 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.297 -12.603 -8.837 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.044 -11.793 -7.303 1.00 0.00 H new ATOM 461 N VAL A 34 -3.127 -8.853 -4.153 1.00 0.00 N ATOM 462 CA VAL A 34 -3.811 -8.494 -2.916 1.00 0.00 C ATOM 463 C VAL A 34 -4.659 -7.241 -3.101 1.00 0.00 C ATOM 464 O VAL A 34 -4.137 -6.163 -3.387 1.00 0.00 O ATOM 465 CB VAL A 34 -2.810 -8.260 -1.769 1.00 0.00 C ATOM 466 CG1 VAL A 34 -3.518 -7.687 -0.551 1.00 0.00 C ATOM 467 CG2 VAL A 34 -2.090 -9.552 -1.418 1.00 0.00 C ATOM 0 H VAL A 34 -2.768 -8.058 -4.682 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.459 -9.332 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.066 -7.536 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.795 -7.528 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.983 -6.737 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.285 -8.385 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.387 -9.368 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.818 -10.301 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.548 -9.916 -2.291 1.00 0.00 H new ATOM 477 N ARG A 35 -5.969 -7.390 -2.934 1.00 0.00 N ATOM 478 CA ARG A 35 -6.890 -6.269 -3.083 1.00 0.00 C ATOM 479 C ARG A 35 -7.030 -5.503 -1.771 1.00 0.00 C ATOM 480 O ARG A 35 -6.941 -6.082 -0.688 1.00 0.00 O ATOM 481 CB ARG A 35 -8.261 -6.767 -3.544 1.00 0.00 C ATOM 482 CG ARG A 35 -9.081 -5.710 -4.265 1.00 0.00 C ATOM 483 CD ARG A 35 -10.455 -6.236 -4.648 1.00 0.00 C ATOM 484 NE ARG A 35 -10.428 -6.971 -5.910 1.00 0.00 N ATOM 485 CZ ARG A 35 -10.433 -6.385 -7.102 1.00 0.00 C ATOM 486 NH1 ARG A 35 -10.463 -5.063 -7.194 1.00 0.00 N ATOM 487 NH2 ARG A 35 -10.406 -7.122 -8.205 1.00 0.00 N ATOM 0 H ARG A 35 -6.416 -8.275 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.484 -5.594 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.124 -7.622 -4.206 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.820 -7.120 -2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.191 -4.834 -3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.552 -5.386 -5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.827 -6.887 -3.857 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.153 -5.402 -4.729 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.404 -7.990 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.482 -4.493 -6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.467 -4.616 -8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.381 -8.140 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.410 -6.671 -9.120 1.00 0.00 H new ATOM 501 N LEU A 36 -7.249 -4.197 -1.876 1.00 0.00 N ATOM 502 CA LEU A 36 -7.402 -3.349 -0.698 1.00 0.00 C ATOM 503 C LEU A 36 -8.463 -2.279 -0.931 1.00 0.00 C ATOM 504 O LEU A 36 -8.503 -1.650 -1.988 1.00 0.00 O ATOM 505 CB LEU A 36 -6.067 -2.692 -0.342 1.00 0.00 C ATOM 506 CG LEU A 36 -4.836 -3.596 -0.405 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.580 -2.772 -0.642 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.707 -4.412 0.873 1.00 0.00 C ATOM 0 H LEU A 36 -7.325 -3.702 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.724 -3.977 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.909 -1.849 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.143 -2.285 0.666 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.957 -4.284 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.714 -3.433 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.671 -2.233 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.453 -2.059 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.825 -5.050 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.609 -3.740 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.595 -5.032 1.000 1.00 0.00 H new ATOM 520 N SER A 37 -9.320 -2.076 0.065 1.00 0.00 N ATOM 521 CA SER A 37 -10.383 -1.082 -0.032 1.00 0.00 C ATOM 522 C SER A 37 -10.269 -0.054 1.089 1.00 0.00 C ATOM 523 O SER A 37 -10.155 -0.409 2.262 1.00 0.00 O ATOM 524 CB SER A 37 -11.752 -1.762 0.021 1.00 0.00 C ATOM 525 OG SER A 37 -12.794 -0.805 0.103 1.00 0.00 O ATOM 0 H SER A 37 -9.299 -2.586 0.948 1.00 0.00 H new ATOM 0 HA SER A 37 -10.279 -0.566 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.890 -2.379 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.797 -2.428 0.882 1.00 0.00 H new ATOM 0 HG SER A 37 -13.659 -1.265 0.134 1.00 0.00 H new ATOM 531 N TRP A 38 -10.300 1.221 0.719 1.00 0.00 N ATOM 532 CA TRP A 38 -10.200 2.302 1.694 1.00 0.00 C ATOM 533 C TRP A 38 -11.129 3.454 1.326 1.00 0.00 C ATOM 534 O TRP A 38 -11.729 3.460 0.251 1.00 0.00 O ATOM 535 CB TRP A 38 -8.758 2.803 1.784 1.00 0.00 C ATOM 536 CG TRP A 38 -8.268 3.437 0.518 1.00 0.00 C ATOM 537 CD1 TRP A 38 -8.271 4.768 0.213 1.00 0.00 C ATOM 538 CD2 TRP A 38 -7.706 2.765 -0.615 1.00 0.00 C ATOM 539 NE1 TRP A 38 -7.745 4.964 -1.041 1.00 0.00 N ATOM 540 CE2 TRP A 38 -7.389 3.752 -1.569 1.00 0.00 C ATOM 541 CE3 TRP A 38 -7.436 1.427 -0.915 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -6.819 3.440 -2.801 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -6.871 1.119 -2.137 1.00 0.00 C ATOM 544 CH2 TRP A 38 -6.566 2.122 -3.068 1.00 0.00 C ATOM 0 H TRP A 38 -10.393 1.532 -0.248 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.503 1.911 2.665 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -8.682 3.526 2.596 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -8.106 1.967 2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.634 5.551 0.862 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.637 5.867 -1.504 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.665 0.647 -0.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.585 4.211 -3.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.661 0.088 -2.380 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.123 1.849 -4.014 1.00 0.00 H new ATOM 555 N ARG A 39 -11.243 4.427 2.224 1.00 0.00 N ATOM 556 CA ARG A 39 -12.100 5.583 1.993 1.00 0.00 C ATOM 557 C ARG A 39 -11.285 6.773 1.496 1.00 0.00 C ATOM 558 O ARG A 39 -10.103 6.921 1.807 1.00 0.00 O ATOM 559 CB ARG A 39 -12.841 5.960 3.277 1.00 0.00 C ATOM 560 CG ARG A 39 -11.943 6.567 4.343 1.00 0.00 C ATOM 561 CD ARG A 39 -12.756 7.217 5.452 1.00 0.00 C ATOM 562 NE ARG A 39 -13.553 6.242 6.190 1.00 0.00 N ATOM 563 CZ ARG A 39 -14.806 5.929 5.879 1.00 0.00 C ATOM 564 NH1 ARG A 39 -15.401 6.513 4.847 1.00 0.00 N ATOM 565 NH2 ARG A 39 -15.466 5.031 6.599 1.00 0.00 N ATOM 0 H ARG A 39 -10.752 4.438 3.118 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.828 5.317 1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.633 6.669 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -13.323 5.070 3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.303 5.792 4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.287 7.309 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.085 7.731 6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.414 7.973 5.024 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.124 5.775 6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.896 7.203 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.363 6.272 4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.011 4.580 7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.428 4.792 6.359 1.00 0.00 H new ATOM 579 N PRO A 40 -11.930 7.643 0.703 1.00 0.00 N ATOM 580 CA PRO A 40 -11.284 8.835 0.146 1.00 0.00 C ATOM 581 C PRO A 40 -10.980 9.881 1.212 1.00 0.00 C ATOM 582 O PRO A 40 -11.591 9.909 2.281 1.00 0.00 O ATOM 583 CB PRO A 40 -12.320 9.368 -0.846 1.00 0.00 C ATOM 584 CG PRO A 40 -13.627 8.864 -0.338 1.00 0.00 C ATOM 585 CD PRO A 40 -13.339 7.529 0.291 1.00 0.00 C ATOM 0 HA PRO A 40 -10.320 8.603 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.305 10.457 -0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.123 9.008 -1.856 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.055 9.554 0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.349 8.766 -1.148 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.992 7.336 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.486 6.712 -0.415 1.00 0.00 H new ATOM 593 N PRO A 41 -10.014 10.764 0.918 1.00 0.00 N ATOM 594 CA PRO A 41 -9.608 11.830 1.839 1.00 0.00 C ATOM 595 C PRO A 41 -10.679 12.904 1.990 1.00 0.00 C ATOM 596 O PRO A 41 -10.891 13.714 1.088 1.00 0.00 O ATOM 597 CB PRO A 41 -8.356 12.412 1.178 1.00 0.00 C ATOM 598 CG PRO A 41 -8.514 12.103 -0.271 1.00 0.00 C ATOM 599 CD PRO A 41 -9.244 10.790 -0.337 1.00 0.00 C ATOM 0 HA PRO A 41 -9.438 11.454 2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.282 13.486 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.449 11.962 1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.075 12.888 -0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.544 12.035 -0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.895 10.736 -1.209 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.553 9.949 -0.402 1.00 0.00 H new ATOM 607 N ALA A 42 -11.351 12.906 3.137 1.00 0.00 N ATOM 608 CA ALA A 42 -12.398 13.883 3.407 1.00 0.00 C ATOM 609 C ALA A 42 -12.075 15.227 2.763 1.00 0.00 C ATOM 610 O ALA A 42 -12.947 15.873 2.183 1.00 0.00 O ATOM 611 CB ALA A 42 -12.592 14.048 4.907 1.00 0.00 C ATOM 0 H ALA A 42 -11.189 12.242 3.894 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.326 13.514 2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.377 14.781 5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.877 13.091 5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.661 14.390 5.359 1.00 0.00 H new ATOM 617 N GLU A 43 -10.816 15.642 2.870 1.00 0.00 N ATOM 618 CA GLU A 43 -10.380 16.910 2.298 1.00 0.00 C ATOM 619 C GLU A 43 -9.260 16.693 1.284 1.00 0.00 C ATOM 620 O GLU A 43 -8.194 16.179 1.621 1.00 0.00 O ATOM 621 CB GLU A 43 -9.905 17.857 3.403 1.00 0.00 C ATOM 622 CG GLU A 43 -11.008 18.273 4.363 1.00 0.00 C ATOM 623 CD GLU A 43 -12.127 19.028 3.673 1.00 0.00 C ATOM 624 OE1 GLU A 43 -11.825 19.975 2.917 1.00 0.00 O ATOM 625 OE2 GLU A 43 -13.305 18.673 3.889 1.00 0.00 O ATOM 0 H GLU A 43 -10.082 15.119 3.347 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.230 17.359 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.107 17.373 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.477 18.749 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.417 17.386 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.584 18.898 5.149 1.00 0.00 H new ATOM 632 N ALA A 44 -9.511 17.089 0.040 1.00 0.00 N ATOM 633 CA ALA A 44 -8.525 16.940 -1.023 1.00 0.00 C ATOM 634 C ALA A 44 -7.955 18.292 -1.436 1.00 0.00 C ATOM 635 O ALA A 44 -6.763 18.415 -1.718 1.00 0.00 O ATOM 636 CB ALA A 44 -9.144 16.237 -2.222 1.00 0.00 C ATOM 0 H ALA A 44 -10.389 17.515 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.705 16.331 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.396 16.132 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -9.497 15.250 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.983 16.824 -2.595 1.00 0.00 H new ATOM 642 N LYS A 45 -8.814 19.305 -1.472 1.00 0.00 N ATOM 643 CA LYS A 45 -8.396 20.650 -1.851 1.00 0.00 C ATOM 644 C LYS A 45 -7.962 20.693 -3.312 1.00 0.00 C ATOM 645 O LYS A 45 -6.937 21.285 -3.648 1.00 0.00 O ATOM 646 CB LYS A 45 -7.250 21.122 -0.953 1.00 0.00 C ATOM 647 CG LYS A 45 -7.548 20.995 0.531 1.00 0.00 C ATOM 648 CD LYS A 45 -8.218 22.246 1.074 1.00 0.00 C ATOM 649 CE LYS A 45 -9.136 21.923 2.244 1.00 0.00 C ATOM 650 NZ LYS A 45 -9.384 23.116 3.100 1.00 0.00 N ATOM 0 H LYS A 45 -9.804 19.220 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.248 21.318 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.355 20.544 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.026 22.164 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.193 20.133 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.621 20.812 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.457 22.958 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.792 22.726 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.085 21.543 1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.692 21.130 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.014 22.855 3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.481 23.464 3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.831 23.864 2.532 1.00 0.00 H new ATOM 664 N GLY A 46 -8.751 20.064 -4.178 1.00 0.00 N ATOM 665 CA GLY A 46 -8.431 20.044 -5.594 1.00 0.00 C ATOM 666 C GLY A 46 -8.855 18.753 -6.266 1.00 0.00 C ATOM 667 O GLY A 46 -9.690 18.017 -5.742 1.00 0.00 O ATOM 0 H GLY A 46 -9.606 19.568 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.921 20.884 -6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.357 20.181 -5.723 1.00 0.00 H new ATOM 671 N ASN A 47 -8.278 18.478 -7.432 1.00 0.00 N ATOM 672 CA ASN A 47 -8.603 17.268 -8.178 1.00 0.00 C ATOM 673 C ASN A 47 -7.456 16.263 -8.109 1.00 0.00 C ATOM 674 O ASN A 47 -6.385 16.489 -8.672 1.00 0.00 O ATOM 675 CB ASN A 47 -8.909 17.610 -9.637 1.00 0.00 C ATOM 676 CG ASN A 47 -9.776 18.847 -9.771 1.00 0.00 C ATOM 677 OD1 ASN A 47 -11.004 18.765 -9.734 1.00 0.00 O ATOM 678 ND2 ASN A 47 -9.139 20.002 -9.927 1.00 0.00 N ATOM 0 H ASN A 47 -7.584 19.076 -7.880 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.486 16.817 -7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.974 17.765 -10.175 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.411 16.765 -10.108 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.669 20.868 -10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.120 20.023 -9.952 1.00 0.00 H new ATOM 685 N ILE A 48 -7.690 15.153 -7.417 1.00 0.00 N ATOM 686 CA ILE A 48 -6.678 14.113 -7.277 1.00 0.00 C ATOM 687 C ILE A 48 -6.497 13.344 -8.581 1.00 0.00 C ATOM 688 O ILE A 48 -7.432 13.212 -9.370 1.00 0.00 O ATOM 689 CB ILE A 48 -7.041 13.123 -6.155 1.00 0.00 C ATOM 690 CG1 ILE A 48 -7.081 13.840 -4.804 1.00 0.00 C ATOM 691 CG2 ILE A 48 -6.045 11.973 -6.121 1.00 0.00 C ATOM 692 CD1 ILE A 48 -7.074 12.899 -3.620 1.00 0.00 C ATOM 0 H ILE A 48 -8.571 14.951 -6.945 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.744 14.613 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.031 12.715 -6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.223 14.509 -4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.975 14.462 -4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.315 11.282 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.062 11.449 -7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.044 12.364 -5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.104 13.477 -2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -7.946 12.247 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.167 12.295 -3.641 1.00 0.00 H new ATOM 704 N GLN A 49 -5.288 12.836 -8.798 1.00 0.00 N ATOM 705 CA GLN A 49 -4.985 12.078 -10.006 1.00 0.00 C ATOM 706 C GLN A 49 -5.151 10.581 -9.766 1.00 0.00 C ATOM 707 O GLN A 49 -5.820 9.888 -10.533 1.00 0.00 O ATOM 708 CB GLN A 49 -3.560 12.376 -10.476 1.00 0.00 C ATOM 709 CG GLN A 49 -3.388 13.773 -11.051 1.00 0.00 C ATOM 710 CD GLN A 49 -4.255 14.013 -12.270 1.00 0.00 C ATOM 711 OE1 GLN A 49 -3.995 13.475 -13.347 1.00 0.00 O ATOM 712 NE2 GLN A 49 -5.294 14.825 -12.108 1.00 0.00 N ATOM 0 H GLN A 49 -4.503 12.935 -8.154 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.688 12.383 -10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.876 12.251 -9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.275 11.644 -11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.632 14.509 -10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.342 13.926 -11.318 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.472 15.249 -11.198 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.913 15.024 -12.894 1.00 0.00 H new ATOM 721 N THR A 50 -4.537 10.087 -8.695 1.00 0.00 N ATOM 722 CA THR A 50 -4.616 8.672 -8.354 1.00 0.00 C ATOM 723 C THR A 50 -4.136 8.423 -6.928 1.00 0.00 C ATOM 724 O THR A 50 -3.770 9.356 -6.214 1.00 0.00 O ATOM 725 CB THR A 50 -3.780 7.814 -9.322 1.00 0.00 C ATOM 726 OG1 THR A 50 -3.859 6.434 -8.947 1.00 0.00 O ATOM 727 CG2 THR A 50 -2.326 8.261 -9.324 1.00 0.00 C ATOM 0 H THR A 50 -3.980 10.646 -8.049 1.00 0.00 H new ATOM 0 HA THR A 50 -5.664 8.384 -8.437 1.00 0.00 H new ATOM 0 HB THR A 50 -4.184 7.941 -10.326 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.326 5.895 -9.568 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.756 7.640 -10.015 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.266 9.303 -9.638 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.913 8.160 -8.320 1.00 0.00 H new ATOM 735 N PHE A 51 -4.141 7.158 -6.520 1.00 0.00 N ATOM 736 CA PHE A 51 -3.707 6.786 -5.179 1.00 0.00 C ATOM 737 C PHE A 51 -2.474 5.889 -5.235 1.00 0.00 C ATOM 738 O PHE A 51 -2.461 4.874 -5.933 1.00 0.00 O ATOM 739 CB PHE A 51 -4.837 6.073 -4.433 1.00 0.00 C ATOM 740 CG PHE A 51 -5.846 7.010 -3.835 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.617 7.828 -4.645 1.00 0.00 C ATOM 742 CD2 PHE A 51 -6.024 7.073 -2.462 1.00 0.00 C ATOM 743 CE1 PHE A 51 -7.545 8.693 -4.097 1.00 0.00 C ATOM 744 CE2 PHE A 51 -6.952 7.935 -1.908 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.714 8.745 -2.727 1.00 0.00 C ATOM 0 H PHE A 51 -4.441 6.374 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.446 7.699 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.345 5.396 -5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.408 5.460 -3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.491 7.789 -5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.431 6.441 -1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.138 9.328 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.081 7.975 -0.836 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.441 9.418 -2.297 1.00 0.00 H new ATOM 755 N THR A 52 -1.437 6.271 -4.496 1.00 0.00 N ATOM 756 CA THR A 52 -0.198 5.504 -4.463 1.00 0.00 C ATOM 757 C THR A 52 -0.255 4.413 -3.400 1.00 0.00 C ATOM 758 O THR A 52 -0.783 4.624 -2.308 1.00 0.00 O ATOM 759 CB THR A 52 1.017 6.410 -4.187 1.00 0.00 C ATOM 760 OG1 THR A 52 1.247 7.275 -5.305 1.00 0.00 O ATOM 761 CG2 THR A 52 2.262 5.579 -3.918 1.00 0.00 C ATOM 0 H THR A 52 -1.431 7.107 -3.912 1.00 0.00 H new ATOM 0 HA THR A 52 -0.084 5.045 -5.445 1.00 0.00 H new ATOM 0 HB THR A 52 0.802 7.009 -3.302 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.296 8.204 -4.996 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.107 6.241 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.094 4.943 -3.049 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.479 4.957 -4.786 1.00 0.00 H new ATOM 769 N VAL A 53 0.291 3.246 -3.727 1.00 0.00 N ATOM 770 CA VAL A 53 0.304 2.122 -2.799 1.00 0.00 C ATOM 771 C VAL A 53 1.662 1.429 -2.793 1.00 0.00 C ATOM 772 O VAL A 53 2.058 0.808 -3.780 1.00 0.00 O ATOM 773 CB VAL A 53 -0.785 1.091 -3.151 1.00 0.00 C ATOM 774 CG1 VAL A 53 -0.707 -0.108 -2.219 1.00 0.00 C ATOM 775 CG2 VAL A 53 -2.163 1.732 -3.094 1.00 0.00 C ATOM 0 H VAL A 53 0.730 3.055 -4.628 1.00 0.00 H new ATOM 0 HA VAL A 53 0.103 2.528 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.614 0.741 -4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.484 -0.825 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.271 -0.580 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.852 0.221 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.920 0.989 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.346 2.111 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.211 2.555 -3.807 1.00 0.00 H new ATOM 785 N PHE A 54 2.371 1.538 -1.675 1.00 0.00 N ATOM 786 CA PHE A 54 3.686 0.922 -1.540 1.00 0.00 C ATOM 787 C PHE A 54 3.571 -0.486 -0.963 1.00 0.00 C ATOM 788 O PHE A 54 2.591 -0.816 -0.294 1.00 0.00 O ATOM 789 CB PHE A 54 4.586 1.780 -0.648 1.00 0.00 C ATOM 790 CG PHE A 54 4.755 3.187 -1.143 1.00 0.00 C ATOM 791 CD1 PHE A 54 3.707 4.091 -1.074 1.00 0.00 C ATOM 792 CD2 PHE A 54 5.963 3.607 -1.678 1.00 0.00 C ATOM 793 CE1 PHE A 54 3.860 5.386 -1.531 1.00 0.00 C ATOM 794 CE2 PHE A 54 6.122 4.902 -2.135 1.00 0.00 C ATOM 795 CZ PHE A 54 5.069 5.793 -2.060 1.00 0.00 C ATOM 0 H PHE A 54 2.057 2.047 -0.849 1.00 0.00 H new ATOM 0 HA PHE A 54 4.131 0.853 -2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.168 1.805 0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.566 1.309 -0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.760 3.780 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.789 2.914 -1.738 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.034 6.080 -1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.068 5.217 -2.550 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.191 6.806 -2.414 1.00 0.00 H new ATOM 805 N PHE A 55 4.578 -1.311 -1.227 1.00 0.00 N ATOM 806 CA PHE A 55 4.590 -2.684 -0.735 1.00 0.00 C ATOM 807 C PHE A 55 6.008 -3.248 -0.730 1.00 0.00 C ATOM 808 O PHE A 55 6.703 -3.219 -1.746 1.00 0.00 O ATOM 809 CB PHE A 55 3.683 -3.565 -1.597 1.00 0.00 C ATOM 810 CG PHE A 55 3.880 -3.366 -3.072 1.00 0.00 C ATOM 811 CD1 PHE A 55 3.436 -2.210 -3.695 1.00 0.00 C ATOM 812 CD2 PHE A 55 4.510 -4.335 -3.837 1.00 0.00 C ATOM 813 CE1 PHE A 55 3.616 -2.025 -5.052 1.00 0.00 C ATOM 814 CE2 PHE A 55 4.693 -4.155 -5.196 1.00 0.00 C ATOM 815 CZ PHE A 55 4.246 -2.998 -5.803 1.00 0.00 C ATOM 0 H PHE A 55 5.396 -1.053 -1.779 1.00 0.00 H new ATOM 0 HA PHE A 55 4.216 -2.680 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.867 -4.611 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.643 -3.357 -1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.944 -1.445 -3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.862 -5.241 -3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.264 -1.120 -5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.185 -4.918 -5.781 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.389 -2.854 -6.864 1.00 0.00 H new ATOM 825 N SER A 56 6.431 -3.759 0.422 1.00 0.00 N ATOM 826 CA SER A 56 7.768 -4.325 0.562 1.00 0.00 C ATOM 827 C SER A 56 7.721 -5.647 1.322 1.00 0.00 C ATOM 828 O SER A 56 6.718 -5.976 1.956 1.00 0.00 O ATOM 829 CB SER A 56 8.689 -3.340 1.285 1.00 0.00 C ATOM 830 OG SER A 56 8.383 -3.278 2.667 1.00 0.00 O ATOM 0 H SER A 56 5.868 -3.793 1.272 1.00 0.00 H new ATOM 0 HA SER A 56 8.162 -4.514 -0.436 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.727 -3.643 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.587 -2.349 0.842 1.00 0.00 H new ATOM 0 HG SER A 56 8.986 -2.643 3.107 1.00 0.00 H new ATOM 836 N ARG A 57 8.813 -6.400 1.254 1.00 0.00 N ATOM 837 CA ARG A 57 8.897 -7.687 1.934 1.00 0.00 C ATOM 838 C ARG A 57 9.598 -7.545 3.282 1.00 0.00 C ATOM 839 O ARG A 57 10.636 -6.892 3.387 1.00 0.00 O ATOM 840 CB ARG A 57 9.644 -8.700 1.064 1.00 0.00 C ATOM 841 CG ARG A 57 9.660 -10.105 1.643 1.00 0.00 C ATOM 842 CD ARG A 57 9.897 -11.150 0.563 1.00 0.00 C ATOM 843 NE ARG A 57 11.220 -11.021 -0.042 1.00 0.00 N ATOM 844 CZ ARG A 57 12.344 -11.389 0.563 1.00 0.00 C ATOM 845 NH1 ARG A 57 12.306 -11.907 1.783 1.00 0.00 N ATOM 846 NH2 ARG A 57 13.510 -11.240 -0.053 1.00 0.00 N ATOM 0 H ARG A 57 9.652 -6.141 0.735 1.00 0.00 H new ATOM 0 HA ARG A 57 7.882 -8.045 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.183 -8.728 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.671 -8.361 0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.441 -10.179 2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.712 -10.305 2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.790 -12.146 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.134 -11.053 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 57 11.285 -10.627 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.412 -12.024 2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.171 -12.189 2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.544 -10.843 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.372 -11.523 0.412 1.00 0.00 H new ATOM 860 N GLU A 58 9.023 -8.160 4.310 1.00 0.00 N ATOM 861 CA GLU A 58 9.592 -8.100 5.651 1.00 0.00 C ATOM 862 C GLU A 58 11.036 -8.595 5.652 1.00 0.00 C ATOM 863 O GLU A 58 11.299 -9.776 5.875 1.00 0.00 O ATOM 864 CB GLU A 58 8.755 -8.935 6.623 1.00 0.00 C ATOM 865 CG GLU A 58 7.291 -9.040 6.229 1.00 0.00 C ATOM 866 CD GLU A 58 6.747 -7.747 5.654 1.00 0.00 C ATOM 867 OE1 GLU A 58 6.644 -6.758 6.409 1.00 0.00 O ATOM 868 OE2 GLU A 58 6.425 -7.725 4.447 1.00 0.00 O ATOM 0 H GLU A 58 8.164 -8.705 4.240 1.00 0.00 H new ATOM 0 HA GLU A 58 9.582 -7.059 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.179 -9.937 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.824 -8.497 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.172 -9.838 5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.703 -9.320 7.103 1.00 0.00 H new ATOM 875 N GLY A 59 11.968 -7.681 5.401 1.00 0.00 N ATOM 876 CA GLY A 59 13.374 -8.043 5.377 1.00 0.00 C ATOM 877 C GLY A 59 14.199 -7.104 4.520 1.00 0.00 C ATOM 878 O GLY A 59 15.333 -6.771 4.866 1.00 0.00 O ATOM 0 H GLY A 59 11.775 -6.697 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.765 -8.039 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.478 -9.060 5.000 1.00 0.00 H new ATOM 882 N ASP A 60 13.631 -6.676 3.397 1.00 0.00 N ATOM 883 CA ASP A 60 14.323 -5.770 2.488 1.00 0.00 C ATOM 884 C ASP A 60 14.507 -4.397 3.125 1.00 0.00 C ATOM 885 O ASP A 60 14.049 -4.153 4.240 1.00 0.00 O ATOM 886 CB ASP A 60 13.545 -5.638 1.177 1.00 0.00 C ATOM 887 CG ASP A 60 14.440 -5.282 0.006 1.00 0.00 C ATOM 888 OD1 ASP A 60 15.053 -6.202 -0.573 1.00 0.00 O ATOM 889 OD2 ASP A 60 14.528 -4.082 -0.330 1.00 0.00 O ATOM 0 H ASP A 60 12.694 -6.942 3.095 1.00 0.00 H new ATOM 0 HA ASP A 60 15.308 -6.187 2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.032 -6.576 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.777 -4.873 1.289 1.00 0.00 H new ATOM 894 N ASN A 61 15.183 -3.504 2.409 1.00 0.00 N ATOM 895 CA ASN A 61 15.430 -2.155 2.906 1.00 0.00 C ATOM 896 C ASN A 61 14.603 -1.131 2.134 1.00 0.00 C ATOM 897 O ASN A 61 14.191 -0.109 2.683 1.00 0.00 O ATOM 898 CB ASN A 61 16.917 -1.813 2.796 1.00 0.00 C ATOM 899 CG ASN A 61 17.692 -2.197 4.042 1.00 0.00 C ATOM 900 OD1 ASN A 61 18.539 -3.090 4.009 1.00 0.00 O ATOM 901 ND2 ASN A 61 17.404 -1.523 5.149 1.00 0.00 N ATOM 0 H ASN A 61 15.569 -3.690 1.483 1.00 0.00 H new ATOM 0 HA ASN A 61 15.132 -2.121 3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.342 -2.327 1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 61 17.029 -0.744 2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 61 17.892 -1.738 6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 61 16.694 -0.791 5.130 1.00 0.00 H new ATOM 908 N ARG A 62 14.364 -1.413 0.857 1.00 0.00 N ATOM 909 CA ARG A 62 13.588 -0.517 0.009 1.00 0.00 C ATOM 910 C ARG A 62 12.197 -1.087 -0.256 1.00 0.00 C ATOM 911 O ARG A 62 11.896 -2.216 0.132 1.00 0.00 O ATOM 912 CB ARG A 62 14.313 -0.278 -1.316 1.00 0.00 C ATOM 913 CG ARG A 62 14.318 -1.488 -2.235 1.00 0.00 C ATOM 914 CD ARG A 62 14.833 -1.134 -3.621 1.00 0.00 C ATOM 915 NE ARG A 62 13.774 -0.614 -4.483 1.00 0.00 N ATOM 916 CZ ARG A 62 13.946 -0.329 -5.768 1.00 0.00 C ATOM 917 NH1 ARG A 62 15.128 -0.512 -6.339 1.00 0.00 N ATOM 918 NH2 ARG A 62 12.933 0.140 -6.486 1.00 0.00 N ATOM 0 H ARG A 62 14.697 -2.255 0.387 1.00 0.00 H new ATOM 0 HA ARG A 62 13.479 0.433 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.841 0.558 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.342 0.015 -1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.941 -2.271 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.308 -1.891 -2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.627 -0.392 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.273 -2.019 -4.081 1.00 0.00 H new ATOM 0 HE ARG A 62 12.852 -0.462 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.909 -0.873 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.257 -0.292 -7.327 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.022 0.282 -6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.066 0.359 -7.473 1.00 0.00 H new ATOM 932 N GLU A 63 11.356 -0.299 -0.917 1.00 0.00 N ATOM 933 CA GLU A 63 9.997 -0.727 -1.232 1.00 0.00 C ATOM 934 C GLU A 63 9.586 -0.252 -2.622 1.00 0.00 C ATOM 935 O GLU A 63 10.174 0.680 -3.171 1.00 0.00 O ATOM 936 CB GLU A 63 9.016 -0.191 -0.187 1.00 0.00 C ATOM 937 CG GLU A 63 8.685 1.281 -0.361 1.00 0.00 C ATOM 938 CD GLU A 63 9.697 2.190 0.310 1.00 0.00 C ATOM 939 OE1 GLU A 63 10.905 2.040 0.030 1.00 0.00 O ATOM 940 OE2 GLU A 63 9.282 3.049 1.115 1.00 0.00 O ATOM 0 H GLU A 63 11.590 0.638 -1.245 1.00 0.00 H new ATOM 0 HA GLU A 63 9.973 -1.817 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.094 -0.770 -0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.437 -0.345 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.640 1.516 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.695 1.478 0.051 1.00 0.00 H new ATOM 947 N ARG A 64 8.572 -0.900 -3.186 1.00 0.00 N ATOM 948 CA ARG A 64 8.083 -0.546 -4.513 1.00 0.00 C ATOM 949 C ARG A 64 6.917 0.434 -4.419 1.00 0.00 C ATOM 950 O ARG A 64 6.465 0.773 -3.326 1.00 0.00 O ATOM 951 CB ARG A 64 7.647 -1.802 -5.271 1.00 0.00 C ATOM 952 CG ARG A 64 8.766 -2.812 -5.470 1.00 0.00 C ATOM 953 CD ARG A 64 8.513 -3.690 -6.685 1.00 0.00 C ATOM 954 NE ARG A 64 9.758 -4.154 -7.293 1.00 0.00 N ATOM 955 CZ ARG A 64 10.444 -5.203 -6.855 1.00 0.00 C ATOM 956 NH1 ARG A 64 10.008 -5.894 -5.811 1.00 0.00 N ATOM 957 NH2 ARG A 64 11.568 -5.563 -7.461 1.00 0.00 N ATOM 0 H ARG A 64 8.073 -1.673 -2.745 1.00 0.00 H new ATOM 0 HA ARG A 64 8.897 -0.066 -5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.831 -2.279 -4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.255 -1.510 -6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.714 -2.288 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.857 -3.436 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.910 -4.550 -6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.936 -3.132 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 64 10.120 -3.644 -8.099 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.144 -5.620 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.536 -6.700 -5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.906 -5.034 -8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.094 -6.369 -7.123 1.00 0.00 H new ATOM 971 N ALA A 65 6.435 0.885 -5.573 1.00 0.00 N ATOM 972 CA ALA A 65 5.322 1.825 -5.621 1.00 0.00 C ATOM 973 C ALA A 65 4.494 1.630 -6.886 1.00 0.00 C ATOM 974 O ALA A 65 5.038 1.505 -7.984 1.00 0.00 O ATOM 975 CB ALA A 65 5.834 3.255 -5.537 1.00 0.00 C ATOM 0 H ALA A 65 6.798 0.614 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 65 4.678 1.632 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.992 3.946 -5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.376 3.393 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.502 3.452 -6.375 1.00 0.00 H new ATOM 981 N LEU A 66 3.175 1.605 -6.726 1.00 0.00 N ATOM 982 CA LEU A 66 2.271 1.425 -7.857 1.00 0.00 C ATOM 983 C LEU A 66 1.028 2.297 -7.704 1.00 0.00 C ATOM 984 O LEU A 66 0.219 2.088 -6.801 1.00 0.00 O ATOM 985 CB LEU A 66 1.865 -0.044 -7.982 1.00 0.00 C ATOM 986 CG LEU A 66 0.817 -0.363 -9.048 1.00 0.00 C ATOM 987 CD1 LEU A 66 1.365 -0.078 -10.438 1.00 0.00 C ATOM 988 CD2 LEU A 66 0.367 -1.812 -8.938 1.00 0.00 C ATOM 0 H LEU A 66 2.708 1.707 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 66 2.796 1.728 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.759 -0.630 -8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.485 -0.379 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.048 0.279 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.605 -0.311 -11.184 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.636 0.975 -10.513 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.247 -0.693 -10.615 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.379 -2.021 -9.705 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.224 -2.471 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.067 -1.984 -7.953 1.00 0.00 H new ATOM 1000 N ASN A 67 0.883 3.272 -8.594 1.00 0.00 N ATOM 1001 CA ASN A 67 -0.263 4.175 -8.560 1.00 0.00 C ATOM 1002 C ASN A 67 -1.070 4.079 -9.850 1.00 0.00 C ATOM 1003 O ASN A 67 -0.659 4.588 -10.893 1.00 0.00 O ATOM 1004 CB ASN A 67 0.203 5.616 -8.342 1.00 0.00 C ATOM 1005 CG ASN A 67 1.472 5.935 -9.108 1.00 0.00 C ATOM 1006 OD1 ASN A 67 2.579 5.692 -8.626 1.00 0.00 O ATOM 1007 ND2 ASN A 67 1.317 6.481 -10.308 1.00 0.00 N ATOM 0 H ASN A 67 1.544 3.458 -9.348 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.903 3.878 -7.729 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.587 6.301 -8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.372 5.783 -7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.135 6.717 -10.871 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.380 6.665 -10.668 1.00 0.00 H new ATOM 1014 N THR A 68 -2.224 3.422 -9.773 1.00 0.00 N ATOM 1015 CA THR A 68 -3.090 3.259 -10.934 1.00 0.00 C ATOM 1016 C THR A 68 -4.475 2.774 -10.523 1.00 0.00 C ATOM 1017 O THR A 68 -4.654 1.614 -10.150 1.00 0.00 O ATOM 1018 CB THR A 68 -2.490 2.264 -11.946 1.00 0.00 C ATOM 1019 OG1 THR A 68 -1.308 2.818 -12.535 1.00 0.00 O ATOM 1020 CG2 THR A 68 -3.496 1.929 -13.037 1.00 0.00 C ATOM 0 H THR A 68 -2.580 2.994 -8.918 1.00 0.00 H new ATOM 0 HA THR A 68 -3.176 4.238 -11.405 1.00 0.00 H new ATOM 0 HB THR A 68 -2.236 1.347 -11.414 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.171 3.728 -12.199 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.050 1.225 -13.740 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.383 1.481 -12.589 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.777 2.840 -13.565 1.00 0.00 H new ATOM 1028 N THR A 69 -5.455 3.669 -10.594 1.00 0.00 N ATOM 1029 CA THR A 69 -6.826 3.333 -10.228 1.00 0.00 C ATOM 1030 C THR A 69 -7.798 4.415 -10.684 1.00 0.00 C ATOM 1031 O THR A 69 -7.616 5.593 -10.377 1.00 0.00 O ATOM 1032 CB THR A 69 -6.969 3.137 -8.707 1.00 0.00 C ATOM 1033 OG1 THR A 69 -8.354 3.134 -8.342 1.00 0.00 O ATOM 1034 CG2 THR A 69 -6.242 4.236 -7.948 1.00 0.00 C ATOM 0 H THR A 69 -5.325 4.633 -10.902 1.00 0.00 H new ATOM 0 HA THR A 69 -7.067 2.397 -10.732 1.00 0.00 H new ATOM 0 HB THR A 69 -6.521 2.179 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.567 2.301 -7.872 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.358 4.076 -6.876 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.183 4.217 -8.206 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.664 5.204 -8.218 1.00 0.00 H new ATOM 1042 N GLN A 70 -8.829 4.008 -11.415 1.00 0.00 N ATOM 1043 CA GLN A 70 -9.830 4.945 -11.912 1.00 0.00 C ATOM 1044 C GLN A 70 -10.111 6.037 -10.886 1.00 0.00 C ATOM 1045 O GLN A 70 -9.982 5.835 -9.678 1.00 0.00 O ATOM 1046 CB GLN A 70 -11.125 4.206 -12.256 1.00 0.00 C ATOM 1047 CG GLN A 70 -10.998 3.283 -13.457 1.00 0.00 C ATOM 1048 CD GLN A 70 -12.341 2.787 -13.956 1.00 0.00 C ATOM 1049 OE1 GLN A 70 -13.345 2.860 -13.247 1.00 0.00 O ATOM 1050 NE2 GLN A 70 -12.367 2.277 -15.182 1.00 0.00 N ATOM 0 H GLN A 70 -8.994 3.036 -11.677 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.436 5.413 -12.814 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.441 3.622 -11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.910 4.937 -12.451 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.487 3.810 -14.263 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.376 2.429 -13.190 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.511 2.236 -15.735 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.243 1.927 -15.570 1.00 0.00 H new ATOM 1059 N PRO A 71 -10.504 7.222 -11.375 1.00 0.00 N ATOM 1060 CA PRO A 71 -10.811 8.370 -10.516 1.00 0.00 C ATOM 1061 C PRO A 71 -12.091 8.167 -9.713 1.00 0.00 C ATOM 1062 O PRO A 71 -13.135 7.822 -10.266 1.00 0.00 O ATOM 1063 CB PRO A 71 -10.981 9.522 -11.510 1.00 0.00 C ATOM 1064 CG PRO A 71 -11.378 8.864 -12.787 1.00 0.00 C ATOM 1065 CD PRO A 71 -10.678 7.534 -12.803 1.00 0.00 C ATOM 0 HA PRO A 71 -10.033 8.542 -9.772 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.742 10.226 -11.174 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -10.055 10.085 -11.626 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.459 8.736 -12.840 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.086 9.469 -13.645 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.272 6.774 -13.311 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.721 7.590 -13.321 1.00 0.00 H new ATOM 1073 N GLY A 72 -12.004 8.384 -8.404 1.00 0.00 N ATOM 1074 CA GLY A 72 -13.164 8.220 -7.546 1.00 0.00 C ATOM 1075 C GLY A 72 -13.158 6.894 -6.811 1.00 0.00 C ATOM 1076 O GLY A 72 -13.677 6.791 -5.700 1.00 0.00 O ATOM 0 H GLY A 72 -11.152 8.670 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.194 9.034 -6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.070 8.295 -8.147 1.00 0.00 H new ATOM 1080 N SER A 73 -12.571 5.877 -7.433 1.00 0.00 N ATOM 1081 CA SER A 73 -12.504 4.549 -6.833 1.00 0.00 C ATOM 1082 C SER A 73 -11.349 4.459 -5.840 1.00 0.00 C ATOM 1083 O SER A 73 -10.232 4.890 -6.129 1.00 0.00 O ATOM 1084 CB SER A 73 -12.344 3.483 -7.918 1.00 0.00 C ATOM 1085 OG SER A 73 -12.840 2.230 -7.480 1.00 0.00 O ATOM 0 H SER A 73 -12.135 5.947 -8.352 1.00 0.00 H new ATOM 0 HA SER A 73 -13.436 4.373 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.875 3.793 -8.818 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.292 3.387 -8.186 1.00 0.00 H new ATOM 0 HG SER A 73 -12.728 1.567 -8.192 1.00 0.00 H new ATOM 1091 N LEU A 74 -11.626 3.896 -4.670 1.00 0.00 N ATOM 1092 CA LEU A 74 -10.611 3.748 -3.633 1.00 0.00 C ATOM 1093 C LEU A 74 -10.163 2.295 -3.513 1.00 0.00 C ATOM 1094 O LEU A 74 -9.613 1.888 -2.490 1.00 0.00 O ATOM 1095 CB LEU A 74 -11.151 4.239 -2.289 1.00 0.00 C ATOM 1096 CG LEU A 74 -11.350 5.750 -2.157 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -10.022 6.477 -2.295 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -12.345 6.249 -3.195 1.00 0.00 C ATOM 0 H LEU A 74 -12.545 3.534 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.749 4.353 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.107 3.749 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.468 3.913 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.753 5.960 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.183 7.551 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.340 6.141 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.589 6.262 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.475 7.326 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.970 6.027 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.304 5.752 -3.049 1.00 0.00 H new ATOM 1110 N GLN A 75 -10.400 1.519 -4.565 1.00 0.00 N ATOM 1111 CA GLN A 75 -10.019 0.112 -4.578 1.00 0.00 C ATOM 1112 C GLN A 75 -8.935 -0.150 -5.619 1.00 0.00 C ATOM 1113 O GLN A 75 -9.028 0.313 -6.757 1.00 0.00 O ATOM 1114 CB GLN A 75 -11.239 -0.766 -4.863 1.00 0.00 C ATOM 1115 CG GLN A 75 -12.338 -0.636 -3.821 1.00 0.00 C ATOM 1116 CD GLN A 75 -13.494 -1.585 -4.072 1.00 0.00 C ATOM 1117 OE1 GLN A 75 -13.505 -2.322 -5.058 1.00 0.00 O ATOM 1118 NE2 GLN A 75 -14.476 -1.571 -3.178 1.00 0.00 N ATOM 0 H GLN A 75 -10.854 1.841 -5.420 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.621 -0.139 -3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.644 -0.505 -5.841 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.922 -1.808 -4.917 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.921 -0.830 -2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.709 0.389 -3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.426 -0.944 -2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.280 -2.187 -3.294 1.00 0.00 H new ATOM 1127 N LEU A 76 -7.908 -0.893 -5.223 1.00 0.00 N ATOM 1128 CA LEU A 76 -6.806 -1.216 -6.121 1.00 0.00 C ATOM 1129 C LEU A 76 -6.294 -2.631 -5.868 1.00 0.00 C ATOM 1130 O LEU A 76 -6.120 -3.044 -4.722 1.00 0.00 O ATOM 1131 CB LEU A 76 -5.667 -0.210 -5.946 1.00 0.00 C ATOM 1132 CG LEU A 76 -4.422 -0.450 -6.800 1.00 0.00 C ATOM 1133 CD1 LEU A 76 -4.771 -0.394 -8.280 1.00 0.00 C ATOM 1134 CD2 LEU A 76 -3.342 0.569 -6.467 1.00 0.00 C ATOM 0 H LEU A 76 -7.816 -1.283 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.176 -1.161 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.051 0.785 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.369 -0.208 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.037 -1.445 -6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.873 -0.567 -8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.510 -1.162 -8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.181 0.587 -8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.463 0.383 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.717 1.574 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.071 0.482 -5.415 1.00 0.00 H new ATOM 1146 N THR A 77 -6.051 -3.369 -6.947 1.00 0.00 N ATOM 1147 CA THR A 77 -5.558 -4.736 -6.843 1.00 0.00 C ATOM 1148 C THR A 77 -4.073 -4.812 -7.179 1.00 0.00 C ATOM 1149 O THR A 77 -3.678 -4.653 -8.334 1.00 0.00 O ATOM 1150 CB THR A 77 -6.333 -5.686 -7.776 1.00 0.00 C ATOM 1151 OG1 THR A 77 -7.740 -5.449 -7.658 1.00 0.00 O ATOM 1152 CG2 THR A 77 -6.028 -7.138 -7.444 1.00 0.00 C ATOM 0 H THR A 77 -6.188 -3.042 -7.903 1.00 0.00 H new ATOM 0 HA THR A 77 -5.711 -5.049 -5.810 1.00 0.00 H new ATOM 0 HB THR A 77 -6.017 -5.491 -8.801 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.179 -5.654 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.587 -7.790 -8.116 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.960 -7.322 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.318 -7.344 -6.414 1.00 0.00 H new ATOM 1160 N VAL A 78 -3.253 -5.056 -6.161 1.00 0.00 N ATOM 1161 CA VAL A 78 -1.810 -5.155 -6.349 1.00 0.00 C ATOM 1162 C VAL A 78 -1.391 -6.593 -6.635 1.00 0.00 C ATOM 1163 O VAL A 78 -1.455 -7.455 -5.761 1.00 0.00 O ATOM 1164 CB VAL A 78 -1.047 -4.646 -5.112 1.00 0.00 C ATOM 1165 CG1 VAL A 78 0.455 -4.750 -5.331 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -1.450 -3.214 -4.790 1.00 0.00 C ATOM 0 H VAL A 78 -3.563 -5.189 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.558 -4.529 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.310 -5.273 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.978 -4.386 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.725 -5.791 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.739 -4.148 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.901 -2.870 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.217 -2.571 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.520 -3.174 -4.587 1.00 0.00 H new ATOM 1176 N GLY A 79 -0.959 -6.843 -7.868 1.00 0.00 N ATOM 1177 CA GLY A 79 -0.534 -8.178 -8.248 1.00 0.00 C ATOM 1178 C GLY A 79 0.973 -8.301 -8.345 1.00 0.00 C ATOM 1179 O GLY A 79 1.703 -7.389 -7.959 1.00 0.00 O ATOM 0 H GLY A 79 -0.896 -6.146 -8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.908 -8.896 -7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.979 -8.438 -9.208 1.00 0.00 H new ATOM 1183 N ASN A 80 1.441 -9.433 -8.860 1.00 0.00 N ATOM 1184 CA ASN A 80 2.873 -9.673 -9.004 1.00 0.00 C ATOM 1185 C ASN A 80 3.525 -9.902 -7.645 1.00 0.00 C ATOM 1186 O ASN A 80 4.513 -9.252 -7.300 1.00 0.00 O ATOM 1187 CB ASN A 80 3.540 -8.491 -9.710 1.00 0.00 C ATOM 1188 CG ASN A 80 4.932 -8.828 -10.211 1.00 0.00 C ATOM 1189 OD1 ASN A 80 5.158 -8.631 -11.505 1.00 0.00 O flip ATOM 1190 ND2 ASN A 80 5.792 -9.261 -9.444 1.00 0.00 N flip ATOM 0 H ASN A 80 0.850 -10.199 -9.185 1.00 0.00 H new ATOM 0 HA ASN A 80 3.007 -10.571 -9.607 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.921 -8.176 -10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.598 -7.647 -9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.573 -9.397 -8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.723 -9.484 -9.796 1.00 0.00 H new ATOM 1197 N LEU A 81 2.967 -10.831 -6.876 1.00 0.00 N ATOM 1198 CA LEU A 81 3.495 -11.148 -5.553 1.00 0.00 C ATOM 1199 C LEU A 81 3.648 -12.655 -5.375 1.00 0.00 C ATOM 1200 O LEU A 81 3.059 -13.442 -6.115 1.00 0.00 O ATOM 1201 CB LEU A 81 2.576 -10.585 -4.468 1.00 0.00 C ATOM 1202 CG LEU A 81 2.061 -9.163 -4.694 1.00 0.00 C ATOM 1203 CD1 LEU A 81 0.783 -8.926 -3.905 1.00 0.00 C ATOM 1204 CD2 LEU A 81 3.124 -8.144 -4.310 1.00 0.00 C ATOM 0 H LEU A 81 2.149 -11.378 -7.146 1.00 0.00 H new ATOM 0 HA LEU A 81 4.479 -10.688 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.717 -11.249 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.111 -10.609 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 81 1.836 -9.043 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.432 -7.909 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.019 -9.634 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.980 -9.065 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.740 -7.138 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.380 -8.264 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.014 -8.299 -4.920 1.00 0.00 H new ATOM 1216 N LYS A 82 4.443 -13.050 -4.386 1.00 0.00 N ATOM 1217 CA LYS A 82 4.672 -14.463 -4.106 1.00 0.00 C ATOM 1218 C LYS A 82 3.810 -14.934 -2.940 1.00 0.00 C ATOM 1219 O LYS A 82 3.646 -14.238 -1.937 1.00 0.00 O ATOM 1220 CB LYS A 82 6.150 -14.709 -3.793 1.00 0.00 C ATOM 1221 CG LYS A 82 6.441 -16.115 -3.298 1.00 0.00 C ATOM 1222 CD LYS A 82 7.774 -16.185 -2.571 1.00 0.00 C ATOM 1223 CE LYS A 82 8.071 -17.596 -2.087 1.00 0.00 C ATOM 1224 NZ LYS A 82 8.713 -18.422 -3.146 1.00 0.00 N ATOM 0 H LYS A 82 4.940 -12.411 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 82 4.394 -15.033 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.739 -14.520 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.477 -13.993 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.643 -16.439 -2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.449 -16.805 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.571 -15.852 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.763 -15.502 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.724 -17.551 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.145 -18.073 -1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.899 -19.376 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.079 -18.486 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.610 -17.981 -3.434 1.00 0.00 H new ATOM 1238 N PRO A 83 3.245 -16.143 -3.071 1.00 0.00 N ATOM 1239 CA PRO A 83 2.391 -16.734 -2.036 1.00 0.00 C ATOM 1240 C PRO A 83 3.178 -17.128 -0.791 1.00 0.00 C ATOM 1241 O PRO A 83 4.403 -17.239 -0.829 1.00 0.00 O ATOM 1242 CB PRO A 83 1.814 -17.977 -2.719 1.00 0.00 C ATOM 1243 CG PRO A 83 2.812 -18.330 -3.768 1.00 0.00 C ATOM 1244 CD PRO A 83 3.397 -17.027 -4.239 1.00 0.00 C ATOM 0 HA PRO A 83 1.633 -16.034 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.681 -18.793 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.837 -17.771 -3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.587 -18.983 -3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.340 -18.866 -4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.443 -17.137 -4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.866 -16.639 -5.108 1.00 0.00 H new ATOM 1252 N GLU A 84 2.466 -17.339 0.312 1.00 0.00 N ATOM 1253 CA GLU A 84 3.100 -17.721 1.569 1.00 0.00 C ATOM 1254 C GLU A 84 4.184 -16.720 1.957 1.00 0.00 C ATOM 1255 O GLU A 84 5.334 -17.094 2.190 1.00 0.00 O ATOM 1256 CB GLU A 84 3.701 -19.124 1.457 1.00 0.00 C ATOM 1257 CG GLU A 84 2.666 -20.214 1.235 1.00 0.00 C ATOM 1258 CD GLU A 84 1.797 -20.451 2.455 1.00 0.00 C ATOM 1259 OE1 GLU A 84 0.957 -19.580 2.763 1.00 0.00 O ATOM 1260 OE2 GLU A 84 1.958 -21.507 3.102 1.00 0.00 O ATOM 0 H GLU A 84 1.451 -17.252 0.361 1.00 0.00 H new ATOM 0 HA GLU A 84 2.336 -17.722 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.415 -19.140 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.259 -19.345 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.033 -19.942 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.172 -21.142 0.969 1.00 0.00 H new ATOM 1267 N ALA A 85 3.810 -15.447 2.023 1.00 0.00 N ATOM 1268 CA ALA A 85 4.749 -14.392 2.384 1.00 0.00 C ATOM 1269 C ALA A 85 4.016 -13.152 2.885 1.00 0.00 C ATOM 1270 O ALA A 85 3.097 -12.658 2.234 1.00 0.00 O ATOM 1271 CB ALA A 85 5.632 -14.042 1.195 1.00 0.00 C ATOM 0 H ALA A 85 2.863 -15.121 1.831 1.00 0.00 H new ATOM 0 HA ALA A 85 5.378 -14.761 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.328 -13.253 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.191 -14.925 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.010 -13.697 0.369 1.00 0.00 H new ATOM 1277 N MET A 86 4.430 -12.655 4.046 1.00 0.00 N ATOM 1278 CA MET A 86 3.812 -11.472 4.634 1.00 0.00 C ATOM 1279 C MET A 86 4.281 -10.205 3.925 1.00 0.00 C ATOM 1280 O MET A 86 5.475 -10.020 3.690 1.00 0.00 O ATOM 1281 CB MET A 86 4.139 -11.387 6.126 1.00 0.00 C ATOM 1282 CG MET A 86 3.342 -10.323 6.863 1.00 0.00 C ATOM 1283 SD MET A 86 1.570 -10.440 6.547 1.00 0.00 S ATOM 1284 CE MET A 86 0.983 -11.041 8.129 1.00 0.00 C ATOM 0 H MET A 86 5.190 -13.053 4.598 1.00 0.00 H new ATOM 0 HA MET A 86 2.732 -11.558 4.511 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.949 -12.356 6.587 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.203 -11.180 6.245 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.523 -10.415 7.934 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.696 -9.337 6.564 1.00 0.00 H new ATOM 0 HE1 MET A 86 -0.107 -11.030 8.141 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.337 -12.060 8.285 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.361 -10.399 8.925 1.00 0.00 H new ATOM 1294 N TYR A 87 3.335 -9.336 3.588 1.00 0.00 N ATOM 1295 CA TYR A 87 3.652 -8.088 2.904 1.00 0.00 C ATOM 1296 C TYR A 87 2.885 -6.921 3.518 1.00 0.00 C ATOM 1297 O TYR A 87 1.705 -7.042 3.850 1.00 0.00 O ATOM 1298 CB TYR A 87 3.324 -8.201 1.414 1.00 0.00 C ATOM 1299 CG TYR A 87 4.178 -9.211 0.681 1.00 0.00 C ATOM 1300 CD1 TYR A 87 5.554 -9.047 0.586 1.00 0.00 C ATOM 1301 CD2 TYR A 87 3.608 -10.329 0.085 1.00 0.00 C ATOM 1302 CE1 TYR A 87 6.338 -9.967 -0.084 1.00 0.00 C ATOM 1303 CE2 TYR A 87 4.384 -11.255 -0.585 1.00 0.00 C ATOM 1304 CZ TYR A 87 5.748 -11.069 -0.667 1.00 0.00 C ATOM 1305 OH TYR A 87 6.526 -11.988 -1.334 1.00 0.00 O ATOM 0 H TYR A 87 2.342 -9.473 3.777 1.00 0.00 H new ATOM 0 HA TYR A 87 4.719 -7.900 3.021 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.275 -8.475 1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.450 -7.224 0.948 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.019 -8.186 1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.540 -10.477 0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.406 -9.824 -0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.925 -12.119 -1.042 1.00 0.00 H new ATOM 0 HH TYR A 87 7.410 -11.603 -1.509 1.00 0.00 H new ATOM 1315 N THR A 88 3.564 -5.787 3.665 1.00 0.00 N ATOM 1316 CA THR A 88 2.949 -4.597 4.239 1.00 0.00 C ATOM 1317 C THR A 88 2.557 -3.602 3.152 1.00 0.00 C ATOM 1318 O THR A 88 3.401 -3.149 2.378 1.00 0.00 O ATOM 1319 CB THR A 88 3.894 -3.903 5.238 1.00 0.00 C ATOM 1320 OG1 THR A 88 4.399 -4.857 6.179 1.00 0.00 O ATOM 1321 CG2 THR A 88 3.174 -2.785 5.977 1.00 0.00 C ATOM 0 H THR A 88 4.540 -5.668 3.394 1.00 0.00 H new ATOM 0 HA THR A 88 2.054 -4.927 4.766 1.00 0.00 H new ATOM 0 HB THR A 88 4.724 -3.471 4.679 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.206 -5.279 5.816 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.861 -2.310 6.677 1.00 0.00 H new ATOM 0 HG22 THR A 88 2.817 -2.046 5.260 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.327 -3.198 6.525 1.00 0.00 H new ATOM 1329 N PHE A 89 1.273 -3.266 3.100 1.00 0.00 N ATOM 1330 CA PHE A 89 0.769 -2.324 2.107 1.00 0.00 C ATOM 1331 C PHE A 89 0.307 -1.030 2.770 1.00 0.00 C ATOM 1332 O PHE A 89 -0.217 -1.044 3.884 1.00 0.00 O ATOM 1333 CB PHE A 89 -0.386 -2.948 1.321 1.00 0.00 C ATOM 1334 CG PHE A 89 -0.060 -4.298 0.747 1.00 0.00 C ATOM 1335 CD1 PHE A 89 0.141 -5.388 1.578 1.00 0.00 C ATOM 1336 CD2 PHE A 89 0.044 -4.476 -0.623 1.00 0.00 C ATOM 1337 CE1 PHE A 89 0.441 -6.631 1.052 1.00 0.00 C ATOM 1338 CE2 PHE A 89 0.344 -5.716 -1.155 1.00 0.00 C ATOM 1339 CZ PHE A 89 0.542 -6.795 -0.316 1.00 0.00 C ATOM 0 H PHE A 89 0.562 -3.632 3.734 1.00 0.00 H new ATOM 0 HA PHE A 89 1.582 -2.089 1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.253 -3.040 1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.668 -2.276 0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.063 -5.266 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.111 -3.636 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.596 -7.473 1.710 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.423 -5.841 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.775 -7.765 -0.729 1.00 0.00 H new ATOM 1349 N ARG A 90 0.506 0.087 2.077 1.00 0.00 N ATOM 1350 CA ARG A 90 0.112 1.390 2.599 1.00 0.00 C ATOM 1351 C ARG A 90 -0.462 2.268 1.490 1.00 0.00 C ATOM 1352 O ARG A 90 0.148 2.428 0.433 1.00 0.00 O ATOM 1353 CB ARG A 90 1.309 2.086 3.248 1.00 0.00 C ATOM 1354 CG ARG A 90 2.340 2.584 2.248 1.00 0.00 C ATOM 1355 CD ARG A 90 3.723 2.675 2.873 1.00 0.00 C ATOM 1356 NE ARG A 90 3.833 3.799 3.799 1.00 0.00 N ATOM 1357 CZ ARG A 90 4.821 3.935 4.676 1.00 0.00 C ATOM 1358 NH1 ARG A 90 5.780 3.022 4.746 1.00 0.00 N ATOM 1359 NH2 ARG A 90 4.852 4.986 5.485 1.00 0.00 N ATOM 0 H ARG A 90 0.938 0.115 1.153 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.660 1.234 3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.952 2.929 3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.790 1.394 3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.371 1.912 1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.043 3.564 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.944 1.747 3.401 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.470 2.779 2.086 1.00 0.00 H new ATOM 0 HE ARG A 90 3.111 4.519 3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.760 2.213 4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.538 3.129 5.420 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.116 5.691 5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.611 5.089 6.158 1.00 0.00 H new ATOM 1373 N VAL A 91 -1.638 2.834 1.740 1.00 0.00 N ATOM 1374 CA VAL A 91 -2.294 3.697 0.765 1.00 0.00 C ATOM 1375 C VAL A 91 -1.979 5.165 1.029 1.00 0.00 C ATOM 1376 O VAL A 91 -1.946 5.607 2.178 1.00 0.00 O ATOM 1377 CB VAL A 91 -3.821 3.500 0.779 1.00 0.00 C ATOM 1378 CG1 VAL A 91 -4.508 4.594 -0.024 1.00 0.00 C ATOM 1379 CG2 VAL A 91 -4.186 2.124 0.242 1.00 0.00 C ATOM 0 H VAL A 91 -2.156 2.710 2.610 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.908 3.417 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.169 3.566 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.587 4.438 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.273 5.566 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.157 4.563 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.269 2.002 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.826 2.026 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.725 1.357 0.864 1.00 0.00 H new ATOM 1389 N VAL A 92 -1.748 5.917 -0.042 1.00 0.00 N ATOM 1390 CA VAL A 92 -1.437 7.337 0.073 1.00 0.00 C ATOM 1391 C VAL A 92 -2.130 8.142 -1.020 1.00 0.00 C ATOM 1392 O VAL A 92 -2.237 7.694 -2.161 1.00 0.00 O ATOM 1393 CB VAL A 92 0.081 7.587 -0.004 1.00 0.00 C ATOM 1394 CG1 VAL A 92 0.389 9.064 0.186 1.00 0.00 C ATOM 1395 CG2 VAL A 92 0.812 6.744 1.030 1.00 0.00 C ATOM 0 H VAL A 92 -1.770 5.567 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.802 7.663 1.047 1.00 0.00 H new ATOM 0 HB VAL A 92 0.431 7.292 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.466 9.221 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.104 9.642 -0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.026 9.389 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.883 6.933 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.460 7.006 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.617 5.688 0.842 1.00 0.00 H new ATOM 1405 N ALA A 93 -2.598 9.334 -0.664 1.00 0.00 N ATOM 1406 CA ALA A 93 -3.278 10.203 -1.615 1.00 0.00 C ATOM 1407 C ALA A 93 -2.311 11.210 -2.228 1.00 0.00 C ATOM 1408 O ALA A 93 -1.613 11.929 -1.512 1.00 0.00 O ATOM 1409 CB ALA A 93 -4.435 10.923 -0.939 1.00 0.00 C ATOM 0 H ALA A 93 -2.518 9.720 0.277 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.672 9.582 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.934 11.569 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.145 10.190 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.056 11.526 -0.114 1.00 0.00 H new ATOM 1415 N TYR A 94 -2.274 11.257 -3.555 1.00 0.00 N ATOM 1416 CA TYR A 94 -1.389 12.174 -4.263 1.00 0.00 C ATOM 1417 C TYR A 94 -2.190 13.152 -5.117 1.00 0.00 C ATOM 1418 O TYR A 94 -2.770 12.774 -6.134 1.00 0.00 O ATOM 1419 CB TYR A 94 -0.410 11.395 -5.142 1.00 0.00 C ATOM 1420 CG TYR A 94 0.822 10.922 -4.404 1.00 0.00 C ATOM 1421 CD1 TYR A 94 0.792 9.767 -3.632 1.00 0.00 C ATOM 1422 CD2 TYR A 94 2.015 11.630 -4.478 1.00 0.00 C ATOM 1423 CE1 TYR A 94 1.915 9.331 -2.955 1.00 0.00 C ATOM 1424 CE2 TYR A 94 3.143 11.200 -3.806 1.00 0.00 C ATOM 1425 CZ TYR A 94 3.088 10.051 -3.046 1.00 0.00 C ATOM 1426 OH TYR A 94 4.209 9.621 -2.373 1.00 0.00 O ATOM 0 H TYR A 94 -2.847 10.671 -4.162 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.827 12.742 -3.522 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.923 10.532 -5.566 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.104 12.025 -5.977 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.125 9.200 -3.560 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.061 12.532 -5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 94 1.874 8.432 -2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.063 11.761 -3.876 1.00 0.00 H new ATOM 0 HH TYR A 94 4.950 10.239 -2.543 1.00 0.00 H new ATOM 1436 N ASN A 95 -2.215 14.413 -4.696 1.00 0.00 N ATOM 1437 CA ASN A 95 -2.944 15.447 -5.422 1.00 0.00 C ATOM 1438 C ASN A 95 -1.982 16.458 -6.039 1.00 0.00 C ATOM 1439 O ASN A 95 -0.765 16.322 -5.923 1.00 0.00 O ATOM 1440 CB ASN A 95 -3.922 16.161 -4.488 1.00 0.00 C ATOM 1441 CG ASN A 95 -4.443 15.252 -3.391 1.00 0.00 C ATOM 1442 OD1 ASN A 95 -4.292 14.032 -3.457 1.00 0.00 O ATOM 1443 ND2 ASN A 95 -5.061 15.844 -2.376 1.00 0.00 N ATOM 0 H ASN A 95 -1.739 14.743 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.504 14.967 -6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.428 17.022 -4.038 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.762 16.543 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.433 15.284 -1.609 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.163 16.859 -2.363 1.00 0.00 H new ATOM 1450 N GLU A 96 -2.539 17.472 -6.694 1.00 0.00 N ATOM 1451 CA GLU A 96 -1.731 18.506 -7.330 1.00 0.00 C ATOM 1452 C GLU A 96 -0.694 19.060 -6.357 1.00 0.00 C ATOM 1453 O GLU A 96 0.383 19.496 -6.764 1.00 0.00 O ATOM 1454 CB GLU A 96 -2.623 19.639 -7.842 1.00 0.00 C ATOM 1455 CG GLU A 96 -2.012 20.421 -8.993 1.00 0.00 C ATOM 1456 CD GLU A 96 -2.304 19.796 -10.343 1.00 0.00 C ATOM 1457 OE1 GLU A 96 -2.194 18.557 -10.458 1.00 0.00 O ATOM 1458 OE2 GLU A 96 -2.642 20.544 -11.284 1.00 0.00 O ATOM 0 H GLU A 96 -3.546 17.599 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.209 18.056 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.577 19.222 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.834 20.323 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.396 21.441 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.933 20.484 -8.852 1.00 0.00 H new ATOM 1465 N TRP A 97 -1.028 19.041 -5.072 1.00 0.00 N ATOM 1466 CA TRP A 97 -0.126 19.542 -4.041 1.00 0.00 C ATOM 1467 C TRP A 97 1.034 18.579 -3.817 1.00 0.00 C ATOM 1468 O TRP A 97 2.196 18.938 -4.000 1.00 0.00 O ATOM 1469 CB TRP A 97 -0.886 19.758 -2.731 1.00 0.00 C ATOM 1470 CG TRP A 97 -2.161 20.527 -2.904 1.00 0.00 C ATOM 1471 CD1 TRP A 97 -3.430 20.064 -2.708 1.00 0.00 C ATOM 1472 CD2 TRP A 97 -2.288 21.895 -3.309 1.00 0.00 C ATOM 1473 NE1 TRP A 97 -4.340 21.061 -2.967 1.00 0.00 N ATOM 1474 CE2 TRP A 97 -3.664 22.194 -3.337 1.00 0.00 C ATOM 1475 CE3 TRP A 97 -1.374 22.896 -3.648 1.00 0.00 C ATOM 1476 CZ2 TRP A 97 -4.145 23.452 -3.692 1.00 0.00 C ATOM 1477 CZ3 TRP A 97 -1.853 24.143 -4.001 1.00 0.00 C ATOM 1478 CH2 TRP A 97 -3.228 24.413 -4.020 1.00 0.00 C ATOM 0 H TRP A 97 -1.916 18.684 -4.719 1.00 0.00 H new ATOM 0 HA TRP A 97 0.279 20.496 -4.380 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.112 18.789 -2.286 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.242 20.288 -2.029 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -3.682 19.061 -2.395 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -5.354 20.972 -2.895 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -0.312 22.699 -3.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -5.204 23.661 -3.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -1.155 24.923 -4.267 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -3.570 25.399 -4.299 1.00 0.00 H new ATOM 1489 N GLY A 98 0.711 17.352 -3.419 1.00 0.00 N ATOM 1490 CA GLY A 98 1.738 16.356 -3.177 1.00 0.00 C ATOM 1491 C GLY A 98 1.290 15.287 -2.200 1.00 0.00 C ATOM 1492 O GLY A 98 0.111 15.176 -1.866 1.00 0.00 O ATOM 0 H GLY A 98 -0.244 17.030 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.015 15.888 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.631 16.846 -2.790 1.00 0.00 H new ATOM 1496 N PRO A 99 2.247 14.474 -1.727 1.00 0.00 N ATOM 1497 CA PRO A 99 1.969 13.393 -0.777 1.00 0.00 C ATOM 1498 C PRO A 99 1.594 13.918 0.605 1.00 0.00 C ATOM 1499 O PRO A 99 2.435 14.454 1.325 1.00 0.00 O ATOM 1500 CB PRO A 99 3.291 12.625 -0.716 1.00 0.00 C ATOM 1501 CG PRO A 99 4.328 13.626 -1.092 1.00 0.00 C ATOM 1502 CD PRO A 99 3.674 14.549 -2.082 1.00 0.00 C ATOM 0 HA PRO A 99 1.121 12.784 -1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 99 3.471 12.225 0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.290 11.779 -1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.675 14.175 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 99 5.200 13.139 -1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 99 4.056 15.566 -1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.850 14.227 -3.108 1.00 0.00 H new ATOM 1510 N GLY A 100 0.325 13.759 0.969 1.00 0.00 N ATOM 1511 CA GLY A 100 -0.139 14.222 2.264 1.00 0.00 C ATOM 1512 C GLY A 100 0.051 13.185 3.353 1.00 0.00 C ATOM 1513 O GLY A 100 0.970 12.369 3.288 1.00 0.00 O ATOM 0 H GLY A 100 -0.390 13.318 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.398 15.131 2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.195 14.483 2.196 1.00 0.00 H new ATOM 1517 N GLU A 101 -0.819 13.217 4.357 1.00 0.00 N ATOM 1518 CA GLU A 101 -0.741 12.273 5.466 1.00 0.00 C ATOM 1519 C GLU A 101 -0.953 10.843 4.978 1.00 0.00 C ATOM 1520 O GLU A 101 -1.911 10.556 4.260 1.00 0.00 O ATOM 1521 CB GLU A 101 -1.780 12.619 6.534 1.00 0.00 C ATOM 1522 CG GLU A 101 -1.447 12.065 7.909 1.00 0.00 C ATOM 1523 CD GLU A 101 -0.228 12.723 8.524 1.00 0.00 C ATOM 1524 OE1 GLU A 101 0.897 12.242 8.271 1.00 0.00 O ATOM 1525 OE2 GLU A 101 -0.397 13.719 9.258 1.00 0.00 O ATOM 0 H GLU A 101 -1.586 13.886 4.426 1.00 0.00 H new ATOM 0 HA GLU A 101 0.255 12.346 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.873 13.703 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.751 12.235 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.303 12.205 8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.276 10.991 7.832 1.00 0.00 H new ATOM 1532 N SER A 102 -0.053 9.949 5.374 1.00 0.00 N ATOM 1533 CA SER A 102 -0.138 8.549 4.974 1.00 0.00 C ATOM 1534 C SER A 102 -0.999 7.756 5.953 1.00 0.00 C ATOM 1535 O SER A 102 -1.245 8.195 7.077 1.00 0.00 O ATOM 1536 CB SER A 102 1.260 7.934 4.894 1.00 0.00 C ATOM 1537 OG SER A 102 1.821 7.770 6.185 1.00 0.00 O ATOM 0 H SER A 102 0.744 10.169 5.972 1.00 0.00 H new ATOM 0 HA SER A 102 -0.603 8.506 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.207 6.968 4.392 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.907 8.572 4.291 1.00 0.00 H new ATOM 0 HG SER A 102 2.714 7.374 6.106 1.00 0.00 H new ATOM 1543 N SER A 103 -1.455 6.586 5.517 1.00 0.00 N ATOM 1544 CA SER A 103 -2.291 5.733 6.353 1.00 0.00 C ATOM 1545 C SER A 103 -1.437 4.779 7.183 1.00 0.00 C ATOM 1546 O SER A 103 -0.214 4.755 7.055 1.00 0.00 O ATOM 1547 CB SER A 103 -3.269 4.936 5.486 1.00 0.00 C ATOM 1548 OG SER A 103 -2.616 3.858 4.840 1.00 0.00 O ATOM 0 H SER A 103 -1.260 6.207 4.590 1.00 0.00 H new ATOM 0 HA SER A 103 -2.855 6.372 7.032 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.081 4.555 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.718 5.593 4.741 1.00 0.00 H new ATOM 0 HG SER A 103 -2.259 4.160 3.979 1.00 0.00 H new ATOM 1554 N GLN A 104 -2.093 3.996 8.033 1.00 0.00 N ATOM 1555 CA GLN A 104 -1.394 3.041 8.885 1.00 0.00 C ATOM 1556 C GLN A 104 -0.962 1.815 8.088 1.00 0.00 C ATOM 1557 O GLN A 104 -1.705 1.290 7.259 1.00 0.00 O ATOM 1558 CB GLN A 104 -2.288 2.617 10.052 1.00 0.00 C ATOM 1559 CG GLN A 104 -1.515 2.248 11.308 1.00 0.00 C ATOM 1560 CD GLN A 104 -0.995 0.824 11.276 1.00 0.00 C ATOM 1561 OE1 GLN A 104 -1.528 -0.028 10.564 1.00 0.00 O ATOM 1562 NE2 GLN A 104 0.051 0.558 12.049 1.00 0.00 N ATOM 0 H GLN A 104 -3.106 4.004 8.150 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.502 3.528 9.279 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.977 3.429 10.285 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -2.893 1.764 9.744 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.677 2.934 11.429 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -2.160 2.376 12.178 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.461 1.295 12.623 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.444 -0.383 12.069 1.00 0.00 H new ATOM 1571 N PRO A 105 0.268 1.346 8.344 1.00 0.00 N ATOM 1572 CA PRO A 105 0.827 0.175 7.660 1.00 0.00 C ATOM 1573 C PRO A 105 0.140 -1.121 8.076 1.00 0.00 C ATOM 1574 O PRO A 105 0.193 -1.517 9.241 1.00 0.00 O ATOM 1575 CB PRO A 105 2.292 0.171 8.104 1.00 0.00 C ATOM 1576 CG PRO A 105 2.293 0.884 9.412 1.00 0.00 C ATOM 1577 CD PRO A 105 1.209 1.922 9.319 1.00 0.00 C ATOM 0 HA PRO A 105 0.695 0.232 6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.672 -0.846 8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.927 0.677 7.377 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.102 0.193 10.233 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.261 1.347 9.603 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.733 2.093 10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.600 2.882 8.982 1.00 0.00 H new ATOM 1585 N ILE A 106 -0.503 -1.778 7.117 1.00 0.00 N ATOM 1586 CA ILE A 106 -1.199 -3.031 7.384 1.00 0.00 C ATOM 1587 C ILE A 106 -0.407 -4.223 6.856 1.00 0.00 C ATOM 1588 O ILE A 106 0.331 -4.108 5.877 1.00 0.00 O ATOM 1589 CB ILE A 106 -2.603 -3.041 6.753 1.00 0.00 C ATOM 1590 CG1 ILE A 106 -2.500 -3.099 5.227 1.00 0.00 C ATOM 1591 CG2 ILE A 106 -3.389 -1.814 7.189 1.00 0.00 C ATOM 1592 CD1 ILE A 106 -3.774 -3.554 4.552 1.00 0.00 C ATOM 0 H ILE A 106 -0.557 -1.464 6.148 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.296 -3.113 8.467 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.133 -3.929 7.097 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.232 -2.111 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.691 -3.775 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.379 -1.836 6.734 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.488 -1.812 8.274 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.864 -0.913 6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.627 -3.571 3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.032 -4.554 4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.582 -2.865 4.798 1.00 0.00 H new ATOM 1604 N LYS A 107 -0.567 -5.369 7.510 1.00 0.00 N ATOM 1605 CA LYS A 107 0.129 -6.584 7.105 1.00 0.00 C ATOM 1606 C LYS A 107 -0.860 -7.651 6.647 1.00 0.00 C ATOM 1607 O LYS A 107 -1.761 -8.037 7.392 1.00 0.00 O ATOM 1608 CB LYS A 107 0.975 -7.121 8.262 1.00 0.00 C ATOM 1609 CG LYS A 107 2.386 -6.560 8.296 1.00 0.00 C ATOM 1610 CD LYS A 107 3.110 -6.948 9.574 1.00 0.00 C ATOM 1611 CE LYS A 107 4.619 -6.961 9.378 1.00 0.00 C ATOM 1612 NZ LYS A 107 5.285 -7.952 10.267 1.00 0.00 N ATOM 0 H LYS A 107 -1.173 -5.481 8.323 1.00 0.00 H new ATOM 0 HA LYS A 107 0.783 -6.337 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.478 -6.888 9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.027 -8.207 8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.945 -6.926 7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.349 -5.474 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.851 -6.247 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.776 -7.934 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.848 -7.194 8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.020 -5.967 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.312 -7.930 10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.088 -7.715 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.921 -8.904 10.059 1.00 0.00 H new ATOM 1626 N VAL A 108 -0.685 -8.125 5.418 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.561 -9.149 4.861 1.00 0.00 C ATOM 1628 C VAL A 108 -0.755 -10.303 4.276 1.00 0.00 C ATOM 1629 O VAL A 108 0.141 -10.095 3.458 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.477 -8.571 3.767 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -3.503 -9.604 3.327 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.162 -7.305 4.260 1.00 0.00 C ATOM 0 H VAL A 108 0.056 -7.816 4.789 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.176 -9.518 5.681 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.863 -8.313 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.141 -9.177 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.990 -10.480 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.114 -9.896 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.806 -6.910 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.763 -7.535 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.409 -6.561 4.520 1.00 0.00 H new ATOM 1642 N ALA A 109 -1.079 -11.520 4.700 1.00 0.00 N ATOM 1643 CA ALA A 109 -0.387 -12.708 4.216 1.00 0.00 C ATOM 1644 C ALA A 109 -1.101 -13.306 3.010 1.00 0.00 C ATOM 1645 O ALA A 109 -2.253 -13.731 3.104 1.00 0.00 O ATOM 1646 CB ALA A 109 -0.269 -13.740 5.328 1.00 0.00 C ATOM 0 H ALA A 109 -1.817 -11.709 5.378 1.00 0.00 H new ATOM 0 HA ALA A 109 0.614 -12.412 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.250 -14.622 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.293 -13.316 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.265 -14.023 5.669 1.00 0.00 H new ATOM 1652 N THR A 110 -0.411 -13.337 1.874 1.00 0.00 N ATOM 1653 CA THR A 110 -0.980 -13.881 0.648 1.00 0.00 C ATOM 1654 C THR A 110 -1.568 -15.268 0.883 1.00 0.00 C ATOM 1655 O THR A 110 -1.452 -15.823 1.975 1.00 0.00 O ATOM 1656 CB THR A 110 0.075 -13.967 -0.471 1.00 0.00 C ATOM 1657 OG1 THR A 110 1.359 -14.267 0.087 1.00 0.00 O ATOM 1658 CG2 THR A 110 0.147 -12.662 -1.249 1.00 0.00 C ATOM 0 H THR A 110 0.544 -12.991 1.778 1.00 0.00 H new ATOM 0 HA THR A 110 -1.773 -13.200 0.339 1.00 0.00 H new ATOM 0 HB THR A 110 -0.218 -14.764 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.044 -14.193 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.899 -12.747 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.824 -12.452 -1.698 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.418 -11.850 -0.574 1.00 0.00 H new ATOM 1666 N GLN A 111 -2.200 -15.820 -0.148 1.00 0.00 N ATOM 1667 CA GLN A 111 -2.807 -17.143 -0.051 1.00 0.00 C ATOM 1668 C GLN A 111 -1.840 -18.221 -0.528 1.00 0.00 C ATOM 1669 O GLN A 111 -1.049 -18.017 -1.449 1.00 0.00 O ATOM 1670 CB GLN A 111 -4.096 -17.197 -0.873 1.00 0.00 C ATOM 1671 CG GLN A 111 -5.129 -16.164 -0.453 1.00 0.00 C ATOM 1672 CD GLN A 111 -6.516 -16.479 -0.979 1.00 0.00 C ATOM 1673 OE1 GLN A 111 -6.673 -17.244 -1.930 1.00 0.00 O ATOM 1674 NE2 GLN A 111 -7.532 -15.889 -0.359 1.00 0.00 N ATOM 0 H GLN A 111 -2.305 -15.373 -1.059 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.044 -17.331 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.853 -17.048 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.532 -18.192 -0.784 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -5.161 -16.109 0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.822 -15.182 -0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.356 -15.262 0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.488 -16.063 -0.668 1.00 0.00 H new ATOM 1683 N PRO A 112 -1.903 -19.398 0.112 1.00 0.00 N ATOM 1684 CA PRO A 112 -1.040 -20.533 -0.230 1.00 0.00 C ATOM 1685 C PRO A 112 -1.390 -21.140 -1.584 1.00 0.00 C ATOM 1686 O PRO A 112 -2.530 -21.538 -1.819 1.00 0.00 O ATOM 1687 CB PRO A 112 -1.312 -21.537 0.893 1.00 0.00 C ATOM 1688 CG PRO A 112 -2.680 -21.201 1.378 1.00 0.00 C ATOM 1689 CD PRO A 112 -2.822 -19.712 1.220 1.00 0.00 C ATOM 0 HA PRO A 112 0.006 -20.239 -0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.262 -22.563 0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -0.576 -21.447 1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.439 -21.729 0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -2.808 -21.497 2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -3.848 -19.429 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.547 -19.183 2.132 1.00 0.00 H new