USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 885 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 27 SER OG : rot -160:sc= -0.524 USER MOD Set 1.2: A 109 MET CE :methyl -170:sc= 0 (180deg=0) USER MOD Set 1.3: A 112 HIS : no HE2:sc= -3.27! C(o=-3.8!,f=-11!) USER MOD Set 2.1: A 96 THR OG1 : rot 94:sc= 0.206 USER MOD Set 2.2: A 97 ASN :FLIP amide:sc= 0.396 F(o=-0.21,f=0.6) USER MOD Set 3.1: A 34 GLN :FLIP amide:sc= -0.215 F(o=-0.58,f=0.81) USER MOD Set 3.2: A 79 SER OG : rot -131:sc= 1.02 USER MOD Set 4.1: A 29 GLN : amide:sc= -0.149 K(o=-1.2,f=-6.1!) USER MOD Set 4.2: A 31 LYS NZ :NH3+ -172:sc= -1.06 (180deg=-1.22) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -70:sc= -1.55! USER MOD Single : A 23 TYR OH : rot 165:sc= -1.12 USER MOD Single : A 24 SER OG : rot 99:sc= 0.828 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 161:sc= 0 (180deg=-0.901) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.65 K(o=-2.7,f=-5.3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= 0 (180deg=-1.11) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -135:sc= -0.696 (180deg=-2.46!) USER MOD Single : A 73 THR OG1 : rot 58:sc= -3! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.035) USER MOD Single : A 82 THR OG1 : rot 150:sc= -0.112 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -1.31 K(o=-1.3,f=-8.1!) USER MOD Single : A 98 THR OG1 : rot -179:sc= -3.59! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 177:sc= -1.79! USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 2.610 -12.713 -4.496 1.00 0.00 N ATOM 223 CA ILE A 14 3.278 -11.383 -4.775 1.00 0.00 C ATOM 224 C ILE A 14 2.455 -10.224 -4.178 1.00 0.00 C ATOM 225 O ILE A 14 3.013 -9.263 -3.682 1.00 0.00 O ATOM 226 CB ILE A 14 3.380 -11.241 -6.309 1.00 0.00 C ATOM 227 CG1 ILE A 14 4.086 -9.923 -6.661 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.980 -11.241 -6.934 1.00 0.00 C ATOM 229 CD1 ILE A 14 5.510 -9.925 -6.095 1.00 0.00 C ATOM 0 HA ILE A 14 4.266 -11.345 -4.316 1.00 0.00 H new ATOM 0 HB ILE A 14 3.951 -12.083 -6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.116 -9.794 -7.743 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.526 -9.081 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.065 -11.140 -8.016 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.475 -12.177 -6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.404 -10.406 -6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.004 -8.987 -6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.471 -10.032 -5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.070 -10.757 -6.522 1.00 0.00 H new ATOM 241 N GLU A 15 1.140 -10.312 -4.201 1.00 0.00 N ATOM 242 CA GLU A 15 0.318 -9.204 -3.603 1.00 0.00 C ATOM 243 C GLU A 15 0.442 -9.249 -2.074 1.00 0.00 C ATOM 244 O GLU A 15 0.531 -8.219 -1.430 1.00 0.00 O ATOM 245 CB GLU A 15 -1.138 -9.435 -4.038 1.00 0.00 C ATOM 246 CG GLU A 15 -1.385 -8.720 -5.368 1.00 0.00 C ATOM 247 CD GLU A 15 -2.885 -8.482 -5.549 1.00 0.00 C ATOM 248 OE1 GLU A 15 -3.645 -9.405 -5.304 1.00 0.00 O ATOM 249 OE2 GLU A 15 -3.249 -7.382 -5.930 1.00 0.00 O ATOM 0 H GLU A 15 0.610 -11.087 -4.600 1.00 0.00 H new ATOM 0 HA GLU A 15 0.660 -8.225 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.334 -10.502 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.822 -9.059 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.850 -7.770 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.999 -9.320 -6.192 1.00 0.00 H new ATOM 256 N GLY A 16 0.471 -10.430 -1.482 1.00 0.00 N ATOM 257 CA GLY A 16 0.615 -10.513 0.000 1.00 0.00 C ATOM 258 C GLY A 16 2.025 -10.039 0.383 1.00 0.00 C ATOM 259 O GLY A 16 2.195 -9.301 1.335 1.00 0.00 O ATOM 0 H GLY A 16 0.401 -11.326 -1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.138 -9.894 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.455 -11.537 0.339 1.00 0.00 H new ATOM 263 N ARG A 17 3.039 -10.447 -0.358 1.00 0.00 N ATOM 264 CA ARG A 17 4.438 -9.992 -0.025 1.00 0.00 C ATOM 265 C ARG A 17 4.532 -8.457 -0.057 1.00 0.00 C ATOM 266 O ARG A 17 5.361 -7.885 0.617 1.00 0.00 O ATOM 267 CB ARG A 17 5.369 -10.600 -1.086 1.00 0.00 C ATOM 268 CG ARG A 17 5.692 -12.048 -0.711 1.00 0.00 C ATOM 269 CD ARG A 17 6.878 -12.075 0.258 1.00 0.00 C ATOM 270 NE ARG A 17 6.507 -13.080 1.293 1.00 0.00 N ATOM 271 CZ ARG A 17 6.547 -14.354 1.010 1.00 0.00 C ATOM 272 NH1 ARG A 17 7.611 -14.865 0.454 1.00 0.00 N ATOM 273 NH2 ARG A 17 5.524 -15.115 1.284 1.00 0.00 N ATOM 0 H ARG A 17 2.961 -11.065 -1.166 1.00 0.00 H new ATOM 0 HA ARG A 17 4.718 -10.315 0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.893 -10.564 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.288 -10.018 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.823 -12.518 -0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.928 -12.622 -1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.799 -12.356 -0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.047 -11.094 0.703 1.00 0.00 H new ATOM 0 HE ARG A 17 6.222 -12.773 2.223 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.411 -14.269 0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.643 -15.860 0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.693 -14.715 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.555 -16.110 1.063 1.00 0.00 H new ATOM 287 N TYR A 18 3.700 -7.774 -0.826 1.00 0.00 N ATOM 288 CA TYR A 18 3.791 -6.269 -0.850 1.00 0.00 C ATOM 289 C TYR A 18 3.502 -5.720 0.553 1.00 0.00 C ATOM 290 O TYR A 18 4.216 -4.866 1.044 1.00 0.00 O ATOM 291 CB TYR A 18 2.721 -5.768 -1.839 1.00 0.00 C ATOM 292 CG TYR A 18 3.295 -5.639 -3.234 1.00 0.00 C ATOM 293 CD1 TYR A 18 4.099 -6.655 -3.769 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.003 -4.503 -4.000 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.612 -6.533 -5.066 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.518 -4.381 -5.295 1.00 0.00 C ATOM 297 CZ TYR A 18 4.322 -5.395 -5.829 1.00 0.00 C ATOM 298 OH TYR A 18 4.828 -5.275 -7.107 1.00 0.00 O ATOM 0 H TYR A 18 2.980 -8.182 -1.423 1.00 0.00 H new ATOM 0 HA TYR A 18 4.784 -5.937 -1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.878 -6.459 -1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.337 -4.803 -1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.323 -7.532 -3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.380 -3.721 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.231 -7.316 -5.478 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.295 -3.503 -5.884 1.00 0.00 H new ATOM 0 HH TYR A 18 4.531 -4.427 -7.498 1.00 0.00 H new ATOM 308 N ALA A 19 2.472 -6.214 1.209 1.00 0.00 N ATOM 309 CA ALA A 19 2.171 -5.712 2.593 1.00 0.00 C ATOM 310 C ALA A 19 3.166 -6.322 3.586 1.00 0.00 C ATOM 311 O ALA A 19 3.611 -5.656 4.501 1.00 0.00 O ATOM 312 CB ALA A 19 0.741 -6.158 2.936 1.00 0.00 C ATOM 0 H ALA A 19 1.838 -6.930 0.854 1.00 0.00 H new ATOM 0 HA ALA A 19 2.257 -4.627 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.482 -5.812 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.044 -5.733 2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.681 -7.246 2.901 1.00 0.00 H new ATOM 318 N THR A 20 3.530 -7.580 3.416 1.00 0.00 N ATOM 319 CA THR A 20 4.509 -8.195 4.374 1.00 0.00 C ATOM 320 C THR A 20 5.929 -7.674 4.121 1.00 0.00 C ATOM 321 O THR A 20 6.722 -7.610 5.041 1.00 0.00 O ATOM 322 CB THR A 20 4.428 -9.719 4.191 1.00 0.00 C ATOM 323 OG1 THR A 20 3.803 -10.017 2.948 1.00 0.00 O ATOM 324 CG2 THR A 20 3.606 -10.314 5.339 1.00 0.00 C ATOM 0 H THR A 20 3.198 -8.193 2.671 1.00 0.00 H new ATOM 0 HA THR A 20 4.263 -7.925 5.401 1.00 0.00 H new ATOM 0 HB THR A 20 5.431 -10.147 4.197 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.851 -9.788 2.997 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.542 -11.395 5.219 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.087 -10.082 6.289 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.603 -9.888 5.327 1.00 0.00 H new ATOM 332 N ALA A 21 6.264 -7.265 2.911 1.00 0.00 N ATOM 333 CA ALA A 21 7.644 -6.720 2.690 1.00 0.00 C ATOM 334 C ALA A 21 7.720 -5.262 3.177 1.00 0.00 C ATOM 335 O ALA A 21 8.799 -4.760 3.436 1.00 0.00 O ATOM 336 CB ALA A 21 7.926 -6.809 1.183 1.00 0.00 C ATOM 0 H ALA A 21 5.658 -7.285 2.091 1.00 0.00 H new ATOM 0 HA ALA A 21 8.387 -7.289 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.924 -6.421 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.867 -7.849 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.188 -6.220 0.639 1.00 0.00 H new ATOM 342 N LEU A 22 6.597 -4.582 3.342 1.00 0.00 N ATOM 343 CA LEU A 22 6.657 -3.174 3.854 1.00 0.00 C ATOM 344 C LEU A 22 6.364 -3.194 5.351 1.00 0.00 C ATOM 345 O LEU A 22 7.054 -2.556 6.126 1.00 0.00 O ATOM 346 CB LEU A 22 5.581 -2.384 3.098 1.00 0.00 C ATOM 347 CG LEU A 22 5.584 -0.924 3.579 1.00 0.00 C ATOM 348 CD1 LEU A 22 6.346 -0.053 2.577 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.142 -0.423 3.703 1.00 0.00 C ATOM 0 H LEU A 22 5.661 -4.938 3.147 1.00 0.00 H new ATOM 0 HA LEU A 22 7.634 -2.716 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.771 -2.425 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.601 -2.831 3.266 1.00 0.00 H new ATOM 0 HG LEU A 22 6.073 -0.865 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.346 0.981 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.373 -0.408 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.862 -0.111 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.145 0.612 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.651 -0.484 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.603 -1.040 4.422 1.00 0.00 H new ATOM 361 N TYR A 23 5.370 -3.946 5.775 1.00 0.00 N ATOM 362 CA TYR A 23 5.087 -4.014 7.231 1.00 0.00 C ATOM 363 C TYR A 23 6.136 -4.920 7.923 1.00 0.00 C ATOM 364 O TYR A 23 6.276 -4.854 9.126 1.00 0.00 O ATOM 365 CB TYR A 23 3.611 -4.502 7.373 1.00 0.00 C ATOM 366 CG TYR A 23 3.500 -5.852 8.039 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.804 -5.986 9.392 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.115 -6.962 7.294 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.718 -7.233 10.008 1.00 0.00 C ATOM 370 CE2 TYR A 23 3.032 -8.211 7.898 1.00 0.00 C ATOM 371 CZ TYR A 23 3.331 -8.354 9.261 1.00 0.00 C ATOM 372 OH TYR A 23 3.249 -9.593 9.862 1.00 0.00 O ATOM 0 H TYR A 23 4.757 -4.503 5.180 1.00 0.00 H new ATOM 0 HA TYR A 23 5.175 -3.050 7.732 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.046 -3.770 7.950 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.153 -4.551 6.385 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.107 -5.122 9.965 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.880 -6.853 6.245 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.949 -7.335 11.058 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.737 -9.072 7.317 1.00 0.00 H new ATOM 0 HH TYR A 23 2.749 -10.205 9.283 1.00 0.00 H new ATOM 382 N SER A 24 6.900 -5.745 7.192 1.00 0.00 N ATOM 383 CA SER A 24 7.946 -6.595 7.889 1.00 0.00 C ATOM 384 C SER A 24 8.811 -5.678 8.772 1.00 0.00 C ATOM 385 O SER A 24 9.110 -6.003 9.906 1.00 0.00 O ATOM 386 CB SER A 24 8.797 -7.251 6.795 1.00 0.00 C ATOM 387 OG SER A 24 8.900 -6.369 5.685 1.00 0.00 O ATOM 0 H SER A 24 6.842 -5.859 6.180 1.00 0.00 H new ATOM 0 HA SER A 24 7.496 -7.362 8.520 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.789 -7.484 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.346 -8.193 6.484 1.00 0.00 H new ATOM 0 HG SER A 24 9.759 -5.898 5.720 1.00 0.00 H new ATOM 393 N ALA A 25 9.144 -4.497 8.281 1.00 0.00 N ATOM 394 CA ALA A 25 9.908 -3.533 9.136 1.00 0.00 C ATOM 395 C ALA A 25 8.924 -2.974 10.176 1.00 0.00 C ATOM 396 O ALA A 25 9.250 -2.844 11.340 1.00 0.00 O ATOM 397 CB ALA A 25 10.417 -2.415 8.212 1.00 0.00 C ATOM 0 H ALA A 25 8.922 -4.169 7.341 1.00 0.00 H new ATOM 0 HA ALA A 25 10.753 -3.995 9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.981 -1.688 8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.062 -2.843 7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.569 -1.920 7.739 1.00 0.00 H new ATOM 403 N ALA A 26 7.700 -2.664 9.764 1.00 0.00 N ATOM 404 CA ALA A 26 6.683 -2.139 10.751 1.00 0.00 C ATOM 405 C ALA A 26 6.517 -3.133 11.918 1.00 0.00 C ATOM 406 O ALA A 26 6.398 -2.733 13.060 1.00 0.00 O ATOM 407 CB ALA A 26 5.355 -2.013 9.985 1.00 0.00 C ATOM 0 H ALA A 26 7.369 -2.751 8.803 1.00 0.00 H new ATOM 0 HA ALA A 26 6.997 -1.181 11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.583 -1.636 10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.480 -1.323 9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.060 -2.991 9.605 1.00 0.00 H new ATOM 413 N SER A 27 6.515 -4.428 11.644 1.00 0.00 N ATOM 414 CA SER A 27 6.364 -5.438 12.763 1.00 0.00 C ATOM 415 C SER A 27 7.434 -5.181 13.837 1.00 0.00 C ATOM 416 O SER A 27 7.160 -5.254 15.020 1.00 0.00 O ATOM 417 CB SER A 27 6.575 -6.825 12.137 1.00 0.00 C ATOM 418 OG SER A 27 6.224 -7.826 13.084 1.00 0.00 O ATOM 0 H SER A 27 6.610 -4.826 10.710 1.00 0.00 H new ATOM 0 HA SER A 27 5.383 -5.365 13.234 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.966 -6.928 11.239 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.615 -6.945 11.832 1.00 0.00 H new ATOM 0 HG SER A 27 6.641 -8.676 12.831 1.00 0.00 H new ATOM 424 N LYS A 28 8.649 -4.858 13.433 1.00 0.00 N ATOM 425 CA LYS A 28 9.721 -4.574 14.450 1.00 0.00 C ATOM 426 C LYS A 28 9.468 -3.202 15.097 1.00 0.00 C ATOM 427 O LYS A 28 9.699 -3.024 16.279 1.00 0.00 O ATOM 428 CB LYS A 28 11.060 -4.570 13.695 1.00 0.00 C ATOM 429 CG LYS A 28 12.201 -4.843 14.676 1.00 0.00 C ATOM 430 CD LYS A 28 13.513 -4.311 14.096 1.00 0.00 C ATOM 431 CE LYS A 28 14.683 -4.785 14.960 1.00 0.00 C ATOM 432 NZ LYS A 28 15.862 -4.773 14.049 1.00 0.00 N ATOM 0 H LYS A 28 8.940 -4.780 12.458 1.00 0.00 H new ATOM 0 HA LYS A 28 9.727 -5.323 15.242 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.050 -5.328 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.210 -3.608 13.205 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.994 -4.364 15.633 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.283 -5.913 14.866 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.638 -4.661 13.072 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.492 -3.222 14.060 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.837 -4.125 15.814 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.501 -5.783 15.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.706 -5.087 14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.690 -5.415 13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.015 -3.808 13.691 1.00 0.00 H new ATOM 446 N GLN A 29 8.983 -2.230 14.343 1.00 0.00 N ATOM 447 CA GLN A 29 8.709 -0.883 14.952 1.00 0.00 C ATOM 448 C GLN A 29 7.269 -0.789 15.508 1.00 0.00 C ATOM 449 O GLN A 29 6.844 0.272 15.923 1.00 0.00 O ATOM 450 CB GLN A 29 8.911 0.142 13.826 1.00 0.00 C ATOM 451 CG GLN A 29 10.344 0.045 13.298 1.00 0.00 C ATOM 452 CD GLN A 29 10.728 1.364 12.616 1.00 0.00 C ATOM 453 OE1 GLN A 29 10.201 2.405 12.953 1.00 0.00 O ATOM 454 NE2 GLN A 29 11.630 1.369 11.664 1.00 0.00 N ATOM 0 H GLN A 29 8.769 -2.312 13.349 1.00 0.00 H new ATOM 0 HA GLN A 29 9.377 -0.701 15.794 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.202 -0.044 13.019 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.716 1.148 14.197 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.031 -0.167 14.117 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.427 -0.780 12.591 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.075 0.497 11.378 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.887 2.245 11.209 1.00 0.00 H new ATOM 463 N ASN A 30 6.504 -1.876 15.533 1.00 0.00 N ATOM 464 CA ASN A 30 5.105 -1.817 16.072 1.00 0.00 C ATOM 465 C ASN A 30 4.246 -0.885 15.211 1.00 0.00 C ATOM 466 O ASN A 30 3.456 -0.115 15.726 1.00 0.00 O ATOM 467 CB ASN A 30 5.212 -1.284 17.508 1.00 0.00 C ATOM 468 CG ASN A 30 4.082 -1.876 18.360 1.00 0.00 C ATOM 469 OD1 ASN A 30 4.116 -3.041 18.703 1.00 0.00 O ATOM 470 ND2 ASN A 30 3.072 -1.122 18.722 1.00 0.00 N ATOM 0 H ASN A 30 6.797 -2.795 15.202 1.00 0.00 H new ATOM 0 HA ASN A 30 4.632 -2.799 16.057 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.180 -1.549 17.934 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.150 -0.196 17.509 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.320 -1.514 19.289 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.038 -0.143 18.437 1.00 0.00 H new ATOM 477 N LYS A 31 4.380 -0.955 13.902 1.00 0.00 N ATOM 478 CA LYS A 31 3.549 -0.074 13.023 1.00 0.00 C ATOM 479 C LYS A 31 2.398 -0.860 12.349 1.00 0.00 C ATOM 480 O LYS A 31 1.696 -0.308 11.526 1.00 0.00 O ATOM 481 CB LYS A 31 4.513 0.482 11.968 1.00 0.00 C ATOM 482 CG LYS A 31 4.969 1.886 12.375 1.00 0.00 C ATOM 483 CD LYS A 31 5.797 1.804 13.659 1.00 0.00 C ATOM 484 CE LYS A 31 6.108 3.217 14.157 1.00 0.00 C ATOM 485 NZ LYS A 31 7.495 3.139 14.693 1.00 0.00 N ATOM 0 H LYS A 31 5.023 -1.578 13.413 1.00 0.00 H new ATOM 0 HA LYS A 31 3.074 0.718 13.601 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.376 -0.176 11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.023 0.516 10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.561 2.333 11.576 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.103 2.530 12.529 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.250 1.250 14.422 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.723 1.260 13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.037 3.945 13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.403 3.528 14.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.732 4.030 15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.562 2.351 15.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.161 2.981 13.910 1.00 0.00 H new ATOM 499 N LEU A 32 2.173 -2.129 12.695 1.00 0.00 N ATOM 500 CA LEU A 32 1.033 -2.912 12.064 1.00 0.00 C ATOM 501 C LEU A 32 -0.252 -2.066 12.069 1.00 0.00 C ATOM 502 O LEU A 32 -1.010 -2.083 11.119 1.00 0.00 O ATOM 503 CB LEU A 32 0.858 -4.177 12.935 1.00 0.00 C ATOM 504 CG LEU A 32 1.763 -5.318 12.428 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.208 -5.849 11.107 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.201 -4.822 12.223 1.00 0.00 C ATOM 0 H LEU A 32 2.724 -2.648 13.379 1.00 0.00 H new ATOM 0 HA LEU A 32 1.243 -3.173 11.027 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.101 -3.947 13.972 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.184 -4.497 12.915 1.00 0.00 H new ATOM 0 HG LEU A 32 1.778 -6.114 13.172 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.844 -6.656 10.743 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.197 -6.225 11.262 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.187 -5.045 10.372 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.822 -5.643 11.865 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.207 -4.016 11.489 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.597 -4.453 13.169 1.00 0.00 H new ATOM 518 N GLU A 33 -0.472 -1.283 13.107 1.00 0.00 N ATOM 519 CA GLU A 33 -1.683 -0.395 13.117 1.00 0.00 C ATOM 520 C GLU A 33 -1.396 0.811 12.206 1.00 0.00 C ATOM 521 O GLU A 33 -2.239 1.226 11.433 1.00 0.00 O ATOM 522 CB GLU A 33 -1.893 0.060 14.570 1.00 0.00 C ATOM 523 CG GLU A 33 -3.368 0.404 14.790 1.00 0.00 C ATOM 524 CD GLU A 33 -4.100 -0.821 15.340 1.00 0.00 C ATOM 525 OE1 GLU A 33 -4.136 -0.971 16.551 1.00 0.00 O ATOM 526 OE2 GLU A 33 -4.614 -1.588 14.542 1.00 0.00 O ATOM 0 H GLU A 33 0.124 -1.222 13.933 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.576 -0.905 12.756 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.586 -0.729 15.257 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.270 0.929 14.784 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.458 1.238 15.486 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.822 0.722 13.852 1.00 0.00 H new ATOM 533 N GLN A 34 -0.195 1.361 12.271 1.00 0.00 N ATOM 534 CA GLN A 34 0.152 2.524 11.377 1.00 0.00 C ATOM 535 C GLN A 34 0.134 2.095 9.900 1.00 0.00 C ATOM 536 O GLN A 34 -0.105 2.910 9.029 1.00 0.00 O ATOM 537 CB GLN A 34 1.566 2.980 11.774 1.00 0.00 C ATOM 538 CG GLN A 34 1.552 3.507 13.214 1.00 0.00 C ATOM 539 CD GLN A 34 2.424 4.765 13.314 1.00 0.00 C ATOM 540 OE1 GLN A 34 2.193 5.785 12.524 1.00 0.00 O flip ATOM 541 NE2 GLN A 34 3.330 4.822 14.122 1.00 0.00 N flip ATOM 0 H GLN A 34 0.551 1.058 12.897 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.572 3.330 11.494 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.265 2.148 11.687 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.912 3.759 11.094 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.530 3.736 13.517 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.923 2.741 13.895 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.514 4.031 14.739 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.907 5.661 14.183 1.00 0.00 H new ATOM 550 N VAL A 35 0.393 0.835 9.598 1.00 0.00 N ATOM 551 CA VAL A 35 0.391 0.406 8.159 1.00 0.00 C ATOM 552 C VAL A 35 -0.940 -0.283 7.801 1.00 0.00 C ATOM 553 O VAL A 35 -1.449 -0.106 6.709 1.00 0.00 O ATOM 554 CB VAL A 35 1.569 -0.585 7.963 1.00 0.00 C ATOM 555 CG1 VAL A 35 2.025 -0.530 6.504 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.776 -0.253 8.871 1.00 0.00 C ATOM 0 H VAL A 35 0.601 0.101 10.274 1.00 0.00 H new ATOM 0 HA VAL A 35 0.503 1.274 7.509 1.00 0.00 H new ATOM 0 HB VAL A 35 1.212 -1.579 8.232 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.853 -1.223 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.197 -0.809 5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.351 0.482 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.573 -0.976 8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.138 0.749 8.643 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.469 -0.298 9.916 1.00 0.00 H new ATOM 566 N GLU A 36 -1.513 -1.067 8.696 1.00 0.00 N ATOM 567 CA GLU A 36 -2.816 -1.753 8.361 1.00 0.00 C ATOM 568 C GLU A 36 -3.981 -0.746 8.329 1.00 0.00 C ATOM 569 O GLU A 36 -4.938 -0.942 7.603 1.00 0.00 O ATOM 570 CB GLU A 36 -3.067 -2.798 9.459 1.00 0.00 C ATOM 571 CG GLU A 36 -4.137 -3.785 8.989 1.00 0.00 C ATOM 572 CD GLU A 36 -5.518 -3.281 9.411 1.00 0.00 C ATOM 573 OE1 GLU A 36 -5.657 -2.883 10.556 1.00 0.00 O ATOM 574 OE2 GLU A 36 -6.413 -3.301 8.582 1.00 0.00 O ATOM 0 H GLU A 36 -1.144 -1.260 9.627 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.755 -2.214 7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.143 -3.329 9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.389 -2.306 10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.094 -3.895 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.951 -4.770 9.417 1.00 0.00 H new ATOM 581 N LYS A 37 -3.927 0.318 9.109 1.00 0.00 N ATOM 582 CA LYS A 37 -5.067 1.301 9.097 1.00 0.00 C ATOM 583 C LYS A 37 -4.916 2.307 7.951 1.00 0.00 C ATOM 584 O LYS A 37 -5.902 2.707 7.358 1.00 0.00 O ATOM 585 CB LYS A 37 -5.039 2.023 10.452 1.00 0.00 C ATOM 586 CG LYS A 37 -6.471 2.296 10.914 1.00 0.00 C ATOM 587 CD LYS A 37 -7.059 1.026 11.531 1.00 0.00 C ATOM 588 CE LYS A 37 -6.736 0.986 13.026 1.00 0.00 C ATOM 589 NZ LYS A 37 -7.806 0.144 13.629 1.00 0.00 N ATOM 0 H LYS A 37 -3.159 0.544 9.741 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.016 0.787 8.942 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.517 1.414 11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.489 2.960 10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.481 3.106 11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.081 2.619 10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.138 1.003 11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.649 0.146 11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.749 0.559 13.205 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.733 1.988 13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.652 0.070 14.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.733 0.579 13.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.781 -0.806 13.205 1.00 0.00 H new ATOM 603 N GLU A 38 -3.708 2.717 7.613 1.00 0.00 N ATOM 604 CA GLU A 38 -3.568 3.691 6.479 1.00 0.00 C ATOM 605 C GLU A 38 -3.792 2.954 5.151 1.00 0.00 C ATOM 606 O GLU A 38 -4.435 3.470 4.257 1.00 0.00 O ATOM 607 CB GLU A 38 -2.152 4.263 6.559 1.00 0.00 C ATOM 608 CG GLU A 38 -2.137 5.453 7.524 1.00 0.00 C ATOM 609 CD GLU A 38 -2.433 4.970 8.945 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.592 4.730 9.239 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.496 4.853 9.717 1.00 0.00 O ATOM 0 H GLU A 38 -2.838 2.428 8.060 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.300 4.496 6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.457 3.496 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.819 4.578 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.166 5.947 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.879 6.190 7.218 1.00 0.00 H new ATOM 618 N LEU A 39 -3.290 1.738 5.019 1.00 0.00 N ATOM 619 CA LEU A 39 -3.517 0.975 3.736 1.00 0.00 C ATOM 620 C LEU A 39 -5.027 0.821 3.488 1.00 0.00 C ATOM 621 O LEU A 39 -5.482 0.908 2.363 1.00 0.00 O ATOM 622 CB LEU A 39 -2.871 -0.412 3.907 1.00 0.00 C ATOM 623 CG LEU A 39 -1.504 -0.424 3.223 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.561 0.541 3.945 1.00 0.00 C ATOM 625 CD2 LEU A 39 -0.922 -1.838 3.272 1.00 0.00 C ATOM 0 H LEU A 39 -2.744 1.249 5.729 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.080 1.501 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.762 -0.646 4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.513 -1.180 3.475 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.616 -0.112 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.413 0.531 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.975 1.549 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.449 0.231 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.053 -1.847 2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.811 -2.150 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.592 -2.525 2.756 1.00 0.00 H new ATOM 637 N LEU A 40 -5.815 0.607 4.530 1.00 0.00 N ATOM 638 CA LEU A 40 -7.304 0.467 4.321 1.00 0.00 C ATOM 639 C LEU A 40 -7.855 1.705 3.585 1.00 0.00 C ATOM 640 O LEU A 40 -8.763 1.595 2.783 1.00 0.00 O ATOM 641 CB LEU A 40 -7.940 0.360 5.717 1.00 0.00 C ATOM 642 CG LEU A 40 -7.928 -1.100 6.173 1.00 0.00 C ATOM 643 CD1 LEU A 40 -8.354 -1.179 7.640 1.00 0.00 C ATOM 644 CD2 LEU A 40 -8.904 -1.909 5.316 1.00 0.00 C ATOM 0 H LEU A 40 -5.499 0.525 5.496 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.533 -0.411 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.391 0.978 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.963 0.736 5.692 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.923 -1.507 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.346 -2.219 7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.661 -0.602 8.252 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.359 -0.773 7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.896 -2.950 5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.909 -1.502 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.603 -1.852 4.270 1.00 0.00 H new ATOM 656 N ARG A 41 -7.312 2.883 3.845 1.00 0.00 N ATOM 657 CA ARG A 41 -7.824 4.113 3.139 1.00 0.00 C ATOM 658 C ARG A 41 -7.687 3.941 1.617 1.00 0.00 C ATOM 659 O ARG A 41 -8.567 4.326 0.870 1.00 0.00 O ATOM 660 CB ARG A 41 -6.961 5.293 3.616 1.00 0.00 C ATOM 661 CG ARG A 41 -7.315 5.630 5.065 1.00 0.00 C ATOM 662 CD ARG A 41 -8.473 6.632 5.088 1.00 0.00 C ATOM 663 NE ARG A 41 -9.029 6.543 6.467 1.00 0.00 N ATOM 664 CZ ARG A 41 -8.436 7.161 7.451 1.00 0.00 C ATOM 665 NH1 ARG A 41 -8.685 8.422 7.674 1.00 0.00 N ATOM 666 NH2 ARG A 41 -7.594 6.517 8.213 1.00 0.00 N ATOM 0 H ARG A 41 -6.550 3.043 4.504 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.877 4.283 3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.904 5.039 3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.128 6.161 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.594 4.724 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.447 6.049 5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.127 7.641 4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.227 6.382 4.341 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.874 5.999 6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.343 8.925 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.221 8.905 8.443 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.400 5.531 8.039 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.130 7.000 8.982 1.00 0.00 H new ATOM 680 N VAL A 42 -6.598 3.360 1.146 1.00 0.00 N ATOM 681 CA VAL A 42 -6.443 3.170 -0.341 1.00 0.00 C ATOM 682 C VAL A 42 -7.588 2.284 -0.869 1.00 0.00 C ATOM 683 O VAL A 42 -8.116 2.527 -1.938 1.00 0.00 O ATOM 684 CB VAL A 42 -5.075 2.492 -0.560 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.866 2.200 -2.050 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.963 3.426 -0.069 1.00 0.00 C ATOM 0 H VAL A 42 -5.825 3.016 1.715 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.487 4.118 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.048 1.555 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.897 1.721 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.655 1.537 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.897 3.134 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.994 2.950 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.000 4.361 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.103 3.631 0.992 1.00 0.00 H new ATOM 696 N GLY A 43 -7.981 1.265 -0.129 1.00 0.00 N ATOM 697 CA GLY A 43 -9.094 0.387 -0.598 1.00 0.00 C ATOM 698 C GLY A 43 -10.398 1.197 -0.625 1.00 0.00 C ATOM 699 O GLY A 43 -11.153 1.126 -1.576 1.00 0.00 O ATOM 0 H GLY A 43 -7.578 1.010 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.873 -0.002 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.199 -0.472 0.064 1.00 0.00 H new ATOM 703 N GLN A 44 -10.666 1.977 0.405 1.00 0.00 N ATOM 704 CA GLN A 44 -11.932 2.797 0.409 1.00 0.00 C ATOM 705 C GLN A 44 -11.863 3.862 -0.698 1.00 0.00 C ATOM 706 O GLN A 44 -12.843 4.122 -1.371 1.00 0.00 O ATOM 707 CB GLN A 44 -12.024 3.470 1.788 1.00 0.00 C ATOM 708 CG GLN A 44 -13.493 3.627 2.182 1.00 0.00 C ATOM 709 CD GLN A 44 -13.617 3.618 3.711 1.00 0.00 C ATOM 710 OE1 GLN A 44 -12.890 4.315 4.390 1.00 0.00 O ATOM 711 NE2 GLN A 44 -14.512 2.855 4.290 1.00 0.00 N ATOM 0 H GLN A 44 -10.075 2.081 1.230 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.807 2.174 0.224 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.499 2.871 2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.537 4.445 1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.891 4.559 1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.084 2.817 1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -15.125 2.268 3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.596 2.848 5.307 1.00 0.00 H new ATOM 720 N ILE A 45 -10.712 4.476 -0.903 1.00 0.00 N ATOM 721 CA ILE A 45 -10.601 5.520 -1.988 1.00 0.00 C ATOM 722 C ILE A 45 -10.935 4.879 -3.343 1.00 0.00 C ATOM 723 O ILE A 45 -11.637 5.465 -4.146 1.00 0.00 O ATOM 724 CB ILE A 45 -9.141 6.034 -1.946 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.913 6.790 -0.633 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.858 6.982 -3.117 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.414 6.860 -0.333 1.00 0.00 C ATOM 0 H ILE A 45 -9.856 4.304 -0.375 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.295 6.348 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.471 5.177 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.327 7.796 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.434 6.288 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.826 7.328 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.016 6.455 -4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.531 7.838 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.255 7.398 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.013 5.850 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.905 7.381 -1.143 1.00 0.00 H new ATOM 739 N LEU A 46 -10.468 3.674 -3.597 1.00 0.00 N ATOM 740 CA LEU A 46 -10.813 3.016 -4.901 1.00 0.00 C ATOM 741 C LEU A 46 -12.222 2.403 -4.816 1.00 0.00 C ATOM 742 O LEU A 46 -12.937 2.367 -5.801 1.00 0.00 O ATOM 743 CB LEU A 46 -9.763 1.924 -5.152 1.00 0.00 C ATOM 744 CG LEU A 46 -10.052 1.238 -6.492 1.00 0.00 C ATOM 745 CD1 LEU A 46 -9.939 2.256 -7.632 1.00 0.00 C ATOM 746 CD2 LEU A 46 -9.043 0.111 -6.713 1.00 0.00 C ATOM 0 H LEU A 46 -9.875 3.129 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.811 3.737 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.764 2.360 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.783 1.192 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.062 0.828 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.145 1.763 -8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.660 3.059 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.931 2.671 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.247 -0.378 -7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.034 0.523 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.128 -0.617 -5.906 1.00 0.00 H new ATOM 758 N LYS A 47 -12.645 1.948 -3.649 1.00 0.00 N ATOM 759 CA LYS A 47 -14.028 1.380 -3.536 1.00 0.00 C ATOM 760 C LYS A 47 -15.048 2.522 -3.624 1.00 0.00 C ATOM 761 O LYS A 47 -16.160 2.321 -4.076 1.00 0.00 O ATOM 762 CB LYS A 47 -14.118 0.683 -2.169 1.00 0.00 C ATOM 763 CG LYS A 47 -13.462 -0.696 -2.253 1.00 0.00 C ATOM 764 CD LYS A 47 -13.353 -1.298 -0.851 1.00 0.00 C ATOM 765 CE LYS A 47 -14.629 -2.079 -0.529 1.00 0.00 C ATOM 766 NZ LYS A 47 -14.786 -1.967 0.948 1.00 0.00 N ATOM 0 H LYS A 47 -12.099 1.947 -2.787 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.238 0.671 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.623 1.287 -1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.161 0.583 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.050 -1.351 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.472 -0.612 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.487 -1.957 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.202 -0.508 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.490 -1.661 -1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.543 -3.120 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.641 -2.478 1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.955 -2.379 1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.872 -0.965 1.213 1.00 0.00 H new ATOM 780 N GLU A 48 -14.690 3.730 -3.201 1.00 0.00 N ATOM 781 CA GLU A 48 -15.675 4.866 -3.283 1.00 0.00 C ATOM 782 C GLU A 48 -16.225 4.988 -4.721 1.00 0.00 C ATOM 783 O GLU A 48 -15.468 4.899 -5.666 1.00 0.00 O ATOM 784 CB GLU A 48 -14.904 6.140 -2.903 1.00 0.00 C ATOM 785 CG GLU A 48 -15.026 6.382 -1.397 1.00 0.00 C ATOM 786 CD GLU A 48 -16.425 6.910 -1.076 1.00 0.00 C ATOM 787 OE1 GLU A 48 -16.872 7.808 -1.771 1.00 0.00 O ATOM 788 OE2 GLU A 48 -17.026 6.409 -0.139 1.00 0.00 O ATOM 0 H GLU A 48 -13.778 3.968 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.522 4.703 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.855 6.040 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.299 6.994 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.842 5.455 -0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.272 7.098 -1.071 1.00 0.00 H new ATOM 795 N PRO A 49 -17.522 5.175 -4.852 1.00 0.00 N ATOM 796 CA PRO A 49 -18.132 5.287 -6.205 1.00 0.00 C ATOM 797 C PRO A 49 -17.753 6.616 -6.882 1.00 0.00 C ATOM 798 O PRO A 49 -17.567 6.662 -8.085 1.00 0.00 O ATOM 799 CB PRO A 49 -19.631 5.224 -5.933 1.00 0.00 C ATOM 800 CG PRO A 49 -19.786 5.694 -4.524 1.00 0.00 C ATOM 801 CD PRO A 49 -18.533 5.301 -3.789 1.00 0.00 C ATOM 0 HA PRO A 49 -17.790 4.505 -6.883 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -20.185 5.859 -6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -20.013 4.210 -6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.930 6.774 -4.491 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.663 5.242 -4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.248 6.054 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.664 4.363 -3.249 1.00 0.00 H new ATOM 809 N LYS A 50 -17.615 7.692 -6.133 1.00 0.00 N ATOM 810 CA LYS A 50 -17.222 8.996 -6.774 1.00 0.00 C ATOM 811 C LYS A 50 -15.709 8.991 -7.033 1.00 0.00 C ATOM 812 O LYS A 50 -15.246 9.500 -8.036 1.00 0.00 O ATOM 813 CB LYS A 50 -17.594 10.108 -5.781 1.00 0.00 C ATOM 814 CG LYS A 50 -18.058 11.346 -6.551 1.00 0.00 C ATOM 815 CD LYS A 50 -18.988 12.177 -5.665 1.00 0.00 C ATOM 816 CE LYS A 50 -19.008 13.626 -6.160 1.00 0.00 C ATOM 817 NZ LYS A 50 -18.050 14.346 -5.276 1.00 0.00 N ATOM 0 H LYS A 50 -17.755 7.725 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.730 9.150 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.384 9.765 -5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.735 10.355 -5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.198 11.943 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.576 11.048 -7.462 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -19.995 11.761 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.650 12.140 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.706 13.691 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.008 14.054 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.008 15.348 -5.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -18.367 14.273 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.105 13.921 -5.369 1.00 0.00 H new ATOM 831 N MET A 51 -14.935 8.403 -6.142 1.00 0.00 N ATOM 832 CA MET A 51 -13.451 8.352 -6.354 1.00 0.00 C ATOM 833 C MET A 51 -13.069 7.172 -7.271 1.00 0.00 C ATOM 834 O MET A 51 -12.066 7.230 -7.957 1.00 0.00 O ATOM 835 CB MET A 51 -12.834 8.171 -4.963 1.00 0.00 C ATOM 836 CG MET A 51 -11.316 8.216 -5.072 1.00 0.00 C ATOM 837 SD MET A 51 -10.787 9.881 -5.546 1.00 0.00 S ATOM 838 CE MET A 51 -9.011 9.631 -5.311 1.00 0.00 C ATOM 0 H MET A 51 -15.266 7.960 -5.285 1.00 0.00 H new ATOM 0 HA MET A 51 -13.089 9.258 -6.839 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.185 8.956 -4.293 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.151 7.220 -4.534 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.865 7.938 -4.119 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.973 7.491 -5.810 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.460 10.399 -5.854 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.772 9.695 -4.250 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.729 8.648 -5.687 1.00 0.00 H new ATOM 848 N ALA A 52 -13.849 6.100 -7.301 1.00 0.00 N ATOM 849 CA ALA A 52 -13.487 4.939 -8.197 1.00 0.00 C ATOM 850 C ALA A 52 -13.360 5.413 -9.655 1.00 0.00 C ATOM 851 O ALA A 52 -12.481 4.976 -10.374 1.00 0.00 O ATOM 852 CB ALA A 52 -14.626 3.912 -8.076 1.00 0.00 C ATOM 0 H ALA A 52 -14.702 5.982 -6.755 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.532 4.504 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.409 3.051 -8.708 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.715 3.587 -7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.563 4.369 -8.395 1.00 0.00 H new ATOM 858 N ALA A 53 -14.224 6.306 -10.097 1.00 0.00 N ATOM 859 CA ALA A 53 -14.123 6.796 -11.519 1.00 0.00 C ATOM 860 C ALA A 53 -12.812 7.575 -11.713 1.00 0.00 C ATOM 861 O ALA A 53 -12.164 7.453 -12.736 1.00 0.00 O ATOM 862 CB ALA A 53 -15.329 7.719 -11.760 1.00 0.00 C ATOM 0 H ALA A 53 -14.982 6.711 -9.547 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.125 5.963 -12.222 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.298 8.099 -12.781 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -16.252 7.159 -11.609 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.293 8.554 -11.061 1.00 0.00 H new ATOM 868 N SER A 54 -12.410 8.374 -10.742 1.00 0.00 N ATOM 869 CA SER A 54 -11.127 9.150 -10.899 1.00 0.00 C ATOM 870 C SER A 54 -9.928 8.188 -10.959 1.00 0.00 C ATOM 871 O SER A 54 -9.001 8.403 -11.717 1.00 0.00 O ATOM 872 CB SER A 54 -11.008 10.065 -9.671 1.00 0.00 C ATOM 873 OG SER A 54 -11.863 11.188 -9.838 1.00 0.00 O ATOM 0 H SER A 54 -12.905 8.521 -9.862 1.00 0.00 H new ATOM 0 HA SER A 54 -11.133 9.731 -11.821 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.279 9.518 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.976 10.394 -9.547 1.00 0.00 H new ATOM 0 HG SER A 54 -11.791 11.773 -9.055 1.00 0.00 H new ATOM 879 N LEU A 55 -9.934 7.129 -10.173 1.00 0.00 N ATOM 880 CA LEU A 55 -8.773 6.166 -10.212 1.00 0.00 C ATOM 881 C LEU A 55 -8.800 5.338 -11.511 1.00 0.00 C ATOM 882 O LEU A 55 -7.761 4.996 -12.046 1.00 0.00 O ATOM 883 CB LEU A 55 -8.919 5.245 -8.990 1.00 0.00 C ATOM 884 CG LEU A 55 -8.246 5.896 -7.780 1.00 0.00 C ATOM 885 CD1 LEU A 55 -8.964 5.466 -6.500 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.782 5.454 -7.715 1.00 0.00 C ATOM 0 H LEU A 55 -10.678 6.891 -9.517 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.824 6.702 -10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.973 5.065 -8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.465 4.276 -9.195 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.297 6.981 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.483 5.931 -5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.007 5.779 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.914 4.382 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.300 5.917 -6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.733 4.369 -7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.268 5.761 -8.626 1.00 0.00 H new ATOM 898 N LEU A 56 -9.970 5.015 -12.030 1.00 0.00 N ATOM 899 CA LEU A 56 -10.028 4.212 -13.302 1.00 0.00 C ATOM 900 C LEU A 56 -10.099 5.122 -14.551 1.00 0.00 C ATOM 901 O LEU A 56 -9.902 4.650 -15.656 1.00 0.00 O ATOM 902 CB LEU A 56 -11.300 3.352 -13.196 1.00 0.00 C ATOM 903 CG LEU A 56 -11.451 2.487 -14.452 1.00 0.00 C ATOM 904 CD1 LEU A 56 -12.173 1.187 -14.090 1.00 0.00 C ATOM 905 CD2 LEU A 56 -12.259 3.254 -15.513 1.00 0.00 C ATOM 0 H LEU A 56 -10.875 5.269 -11.633 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.130 3.606 -13.417 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.248 2.718 -12.311 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -12.174 3.993 -13.078 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.465 2.253 -14.854 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.281 0.570 -14.982 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.594 0.645 -13.343 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.159 1.418 -13.687 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.365 2.637 -16.405 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.246 3.492 -15.117 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.739 4.177 -15.770 1.00 0.00 H new ATOM 917 N ASN A 57 -10.387 6.408 -14.411 1.00 0.00 N ATOM 918 CA ASN A 57 -10.473 7.296 -15.633 1.00 0.00 C ATOM 919 C ASN A 57 -9.209 7.156 -16.501 1.00 0.00 C ATOM 920 O ASN A 57 -8.132 6.943 -15.982 1.00 0.00 O ATOM 921 CB ASN A 57 -10.600 8.749 -15.131 1.00 0.00 C ATOM 922 CG ASN A 57 -11.584 9.518 -16.022 1.00 0.00 C ATOM 923 OD1 ASN A 57 -12.467 8.930 -16.615 1.00 0.00 O ATOM 924 ND2 ASN A 57 -11.477 10.819 -16.143 1.00 0.00 N ATOM 0 H ASN A 57 -10.563 6.873 -13.521 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.329 7.012 -16.245 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.946 8.758 -14.097 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.625 9.236 -15.145 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.133 11.332 -16.732 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.738 11.318 -15.648 1.00 0.00 H new ATOM 931 N PRO A 58 -9.375 7.302 -17.804 1.00 0.00 N ATOM 932 CA PRO A 58 -8.214 7.208 -18.724 1.00 0.00 C ATOM 933 C PRO A 58 -7.398 8.526 -18.759 1.00 0.00 C ATOM 934 O PRO A 58 -6.411 8.612 -19.465 1.00 0.00 O ATOM 935 CB PRO A 58 -8.856 6.947 -20.082 1.00 0.00 C ATOM 936 CG PRO A 58 -10.239 7.513 -19.990 1.00 0.00 C ATOM 937 CD PRO A 58 -10.628 7.557 -18.533 1.00 0.00 C ATOM 0 HA PRO A 58 -7.509 6.435 -18.418 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.290 7.425 -20.881 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.883 5.880 -20.304 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.271 8.513 -20.424 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.941 6.898 -20.554 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.052 8.525 -18.265 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.381 6.804 -18.301 1.00 0.00 H new ATOM 945 N TYR A 59 -7.785 9.549 -18.012 1.00 0.00 N ATOM 946 CA TYR A 59 -7.005 10.830 -18.027 1.00 0.00 C ATOM 947 C TYR A 59 -5.931 10.817 -16.923 1.00 0.00 C ATOM 948 O TYR A 59 -4.873 11.396 -17.088 1.00 0.00 O ATOM 949 CB TYR A 59 -8.034 11.942 -17.770 1.00 0.00 C ATOM 950 CG TYR A 59 -9.001 12.002 -18.931 1.00 0.00 C ATOM 951 CD1 TYR A 59 -10.125 11.162 -18.957 1.00 0.00 C ATOM 952 CD2 TYR A 59 -8.770 12.892 -19.986 1.00 0.00 C ATOM 953 CE1 TYR A 59 -11.013 11.216 -20.037 1.00 0.00 C ATOM 954 CE2 TYR A 59 -9.660 12.945 -21.066 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.781 12.107 -21.091 1.00 0.00 C ATOM 956 OH TYR A 59 -11.657 12.160 -22.156 1.00 0.00 O ATOM 0 H TYR A 59 -8.601 9.546 -17.400 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.484 10.977 -18.973 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.572 11.748 -16.842 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.529 12.901 -17.652 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.304 10.474 -18.144 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.905 13.538 -19.967 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.878 10.570 -20.057 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.481 13.632 -21.880 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.349 12.832 -22.799 1.00 0.00 H new ATOM 966 N VAL A 60 -6.180 10.162 -15.799 1.00 0.00 N ATOM 967 CA VAL A 60 -5.133 10.131 -14.703 1.00 0.00 C ATOM 968 C VAL A 60 -3.767 9.663 -15.262 1.00 0.00 C ATOM 969 O VAL A 60 -2.730 10.055 -14.763 1.00 0.00 O ATOM 970 CB VAL A 60 -5.643 9.145 -13.629 1.00 0.00 C ATOM 971 CG1 VAL A 60 -4.608 9.012 -12.505 1.00 0.00 C ATOM 972 CG2 VAL A 60 -6.955 9.669 -13.037 1.00 0.00 C ATOM 0 H VAL A 60 -7.043 9.658 -15.594 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.983 11.126 -14.283 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.805 8.171 -14.091 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.976 8.315 -11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.670 8.640 -12.916 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.442 9.987 -12.046 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.315 8.974 -12.279 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.785 10.645 -12.583 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.700 9.762 -13.828 1.00 0.00 H new ATOM 982 N LYS A 61 -3.751 8.831 -16.293 1.00 0.00 N ATOM 983 CA LYS A 61 -2.450 8.353 -16.869 1.00 0.00 C ATOM 984 C LYS A 61 -1.606 7.654 -15.790 1.00 0.00 C ATOM 985 O LYS A 61 -2.086 7.379 -14.707 1.00 0.00 O ATOM 986 CB LYS A 61 -1.734 9.607 -17.388 1.00 0.00 C ATOM 987 CG LYS A 61 -1.090 9.307 -18.745 1.00 0.00 C ATOM 988 CD LYS A 61 -1.162 10.552 -19.632 1.00 0.00 C ATOM 989 CE LYS A 61 -2.509 10.587 -20.357 1.00 0.00 C ATOM 990 NZ LYS A 61 -2.202 11.121 -21.713 1.00 0.00 N ATOM 0 H LYS A 61 -4.585 8.467 -16.755 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.609 7.626 -17.666 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.443 10.429 -17.485 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.973 9.925 -16.675 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.052 9.005 -18.608 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.603 8.474 -19.227 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.040 11.450 -19.027 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.348 10.543 -20.356 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.952 9.593 -20.415 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.222 11.224 -19.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.078 11.175 -22.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.788 12.071 -21.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.526 10.491 -22.189 1.00 0.00 H new ATOM 1004 N ARG A 62 -0.351 7.363 -16.077 1.00 0.00 N ATOM 1005 CA ARG A 62 0.510 6.679 -15.058 1.00 0.00 C ATOM 1006 C ARG A 62 1.527 7.670 -14.472 1.00 0.00 C ATOM 1007 O ARG A 62 1.573 7.872 -13.273 1.00 0.00 O ATOM 1008 CB ARG A 62 1.228 5.555 -15.812 1.00 0.00 C ATOM 1009 CG ARG A 62 1.569 4.424 -14.839 1.00 0.00 C ATOM 1010 CD ARG A 62 2.926 4.702 -14.189 1.00 0.00 C ATOM 1011 NE ARG A 62 3.917 4.012 -15.061 1.00 0.00 N ATOM 1012 CZ ARG A 62 4.708 4.710 -15.828 1.00 0.00 C ATOM 1013 NH1 ARG A 62 5.709 5.366 -15.309 1.00 0.00 N ATOM 1014 NH2 ARG A 62 4.498 4.752 -17.116 1.00 0.00 N ATOM 0 H ARG A 62 0.107 7.569 -16.965 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.076 6.291 -14.225 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.594 5.179 -16.615 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.138 5.937 -16.276 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.797 4.343 -14.074 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.595 3.471 -15.367 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.126 5.772 -14.134 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.962 4.318 -13.170 1.00 0.00 H new ATOM 0 HE ARG A 62 3.977 2.994 -15.058 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.873 5.333 -14.303 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.327 5.912 -15.909 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.715 4.239 -17.522 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.116 5.298 -17.716 1.00 0.00 H new ATOM 1028 N SER A 63 2.342 8.298 -15.302 1.00 0.00 N ATOM 1029 CA SER A 63 3.347 9.283 -14.754 1.00 0.00 C ATOM 1030 C SER A 63 2.614 10.394 -13.988 1.00 0.00 C ATOM 1031 O SER A 63 3.027 10.784 -12.912 1.00 0.00 O ATOM 1032 CB SER A 63 4.097 9.872 -15.958 1.00 0.00 C ATOM 1033 OG SER A 63 4.861 8.849 -16.582 1.00 0.00 O ATOM 0 H SER A 63 2.356 8.175 -16.314 1.00 0.00 H new ATOM 0 HA SER A 63 4.042 8.800 -14.066 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.389 10.298 -16.669 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.750 10.682 -15.633 1.00 0.00 H new ATOM 0 HG SER A 63 5.339 9.222 -17.352 1.00 0.00 H new ATOM 1039 N VAL A 64 1.516 10.892 -14.522 1.00 0.00 N ATOM 1040 CA VAL A 64 0.756 11.965 -13.789 1.00 0.00 C ATOM 1041 C VAL A 64 0.191 11.378 -12.486 1.00 0.00 C ATOM 1042 O VAL A 64 0.215 12.020 -11.453 1.00 0.00 O ATOM 1043 CB VAL A 64 -0.385 12.416 -14.718 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -1.197 13.521 -14.038 1.00 0.00 C ATOM 1045 CG2 VAL A 64 0.205 12.951 -16.025 1.00 0.00 C ATOM 0 H VAL A 64 1.119 10.608 -15.418 1.00 0.00 H new ATOM 0 HA VAL A 64 1.394 12.811 -13.533 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.035 11.567 -14.930 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.004 13.838 -14.698 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.618 13.143 -13.106 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.548 14.370 -13.824 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.602 13.271 -16.684 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.856 13.799 -15.810 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.782 12.165 -16.512 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.310 10.156 -12.521 1.00 0.00 N ATOM 1056 CA LYS A 65 -0.864 9.540 -11.261 1.00 0.00 C ATOM 1057 C LYS A 65 0.218 9.494 -10.168 1.00 0.00 C ATOM 1058 O LYS A 65 -0.081 9.657 -8.999 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.303 8.112 -11.622 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.273 7.593 -10.559 1.00 0.00 C ATOM 1061 CD LYS A 65 -2.639 6.139 -10.866 1.00 0.00 C ATOM 1062 CE LYS A 65 -3.964 6.093 -11.630 1.00 0.00 C ATOM 1063 NZ LYS A 65 -4.212 4.646 -11.884 1.00 0.00 N ATOM 0 H LYS A 65 -0.359 9.568 -13.353 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.699 10.126 -10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.781 8.104 -12.601 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.433 7.458 -11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.818 7.663 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.172 8.209 -10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.851 5.672 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.722 5.571 -9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.772 6.535 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.901 6.653 -12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.778 4.538 -12.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.304 4.153 -12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.727 4.236 -11.079 1.00 0.00 H new ATOM 1077 N VAL A 66 1.473 9.275 -10.527 1.00 0.00 N ATOM 1078 CA VAL A 66 2.549 9.227 -9.468 1.00 0.00 C ATOM 1079 C VAL A 66 2.577 10.559 -8.703 1.00 0.00 C ATOM 1080 O VAL A 66 2.678 10.572 -7.489 1.00 0.00 O ATOM 1081 CB VAL A 66 3.888 8.992 -10.195 1.00 0.00 C ATOM 1082 CG1 VAL A 66 5.031 8.948 -9.175 1.00 0.00 C ATOM 1083 CG2 VAL A 66 3.835 7.658 -10.945 1.00 0.00 C ATOM 0 H VAL A 66 1.793 9.131 -11.485 1.00 0.00 H new ATOM 0 HA VAL A 66 2.363 8.430 -8.748 1.00 0.00 H new ATOM 0 HB VAL A 66 4.059 9.806 -10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.975 8.782 -9.694 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.075 9.895 -8.636 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.857 8.136 -8.469 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.782 7.492 -11.459 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.660 6.849 -10.236 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.025 7.683 -11.674 1.00 0.00 H new ATOM 1093 N LYS A 67 2.468 11.678 -9.392 1.00 0.00 N ATOM 1094 CA LYS A 67 2.468 12.993 -8.662 1.00 0.00 C ATOM 1095 C LYS A 67 1.151 13.130 -7.888 1.00 0.00 C ATOM 1096 O LYS A 67 1.141 13.557 -6.748 1.00 0.00 O ATOM 1097 CB LYS A 67 2.588 14.098 -9.722 1.00 0.00 C ATOM 1098 CG LYS A 67 2.876 15.435 -9.034 1.00 0.00 C ATOM 1099 CD LYS A 67 2.213 16.568 -9.820 1.00 0.00 C ATOM 1100 CE LYS A 67 2.588 17.912 -9.193 1.00 0.00 C ATOM 1101 NZ LYS A 67 1.567 18.141 -8.133 1.00 0.00 N ATOM 0 H LYS A 67 2.381 11.738 -10.407 1.00 0.00 H new ATOM 0 HA LYS A 67 3.293 13.062 -7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.387 13.858 -10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.666 14.165 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.499 15.418 -8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.952 15.601 -8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.534 16.538 -10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.130 16.442 -9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.594 17.885 -8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.574 18.711 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.758 19.046 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.620 18.169 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.609 17.368 -7.438 1.00 0.00 H new ATOM 1115 N SER A 68 0.037 12.751 -8.487 1.00 0.00 N ATOM 1116 CA SER A 68 -1.273 12.847 -7.750 1.00 0.00 C ATOM 1117 C SER A 68 -1.219 11.974 -6.484 1.00 0.00 C ATOM 1118 O SER A 68 -1.760 12.341 -5.458 1.00 0.00 O ATOM 1119 CB SER A 68 -2.362 12.330 -8.703 1.00 0.00 C ATOM 1120 OG SER A 68 -2.521 13.249 -9.776 1.00 0.00 O ATOM 0 H SER A 68 -0.021 12.386 -9.438 1.00 0.00 H new ATOM 0 HA SER A 68 -1.481 13.873 -7.446 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.088 11.348 -9.088 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.304 12.212 -8.168 1.00 0.00 H new ATOM 0 HG SER A 68 -3.214 12.922 -10.387 1.00 0.00 H new ATOM 1126 N LEU A 69 -0.561 10.827 -6.539 1.00 0.00 N ATOM 1127 CA LEU A 69 -0.484 9.964 -5.307 1.00 0.00 C ATOM 1128 C LEU A 69 0.313 10.705 -4.224 1.00 0.00 C ATOM 1129 O LEU A 69 -0.162 10.886 -3.119 1.00 0.00 O ATOM 1130 CB LEU A 69 0.237 8.664 -5.706 1.00 0.00 C ATOM 1131 CG LEU A 69 -0.432 7.478 -5.012 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -1.830 7.267 -5.594 1.00 0.00 C ATOM 1133 CD2 LEU A 69 0.408 6.220 -5.239 1.00 0.00 C ATOM 0 H LEU A 69 -0.086 10.461 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.476 9.741 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.202 8.533 -6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.289 8.718 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.511 7.678 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.306 6.421 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.429 8.164 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.753 7.065 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.066 5.372 -4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.484 6.021 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.406 6.369 -4.826 1.00 0.00 H new ATOM 1145 N SER A 70 1.517 11.151 -4.534 1.00 0.00 N ATOM 1146 CA SER A 70 2.319 11.899 -3.500 1.00 0.00 C ATOM 1147 C SER A 70 1.569 13.177 -3.091 1.00 0.00 C ATOM 1148 O SER A 70 1.537 13.531 -1.928 1.00 0.00 O ATOM 1149 CB SER A 70 3.663 12.259 -4.151 1.00 0.00 C ATOM 1150 OG SER A 70 4.563 12.714 -3.148 1.00 0.00 O ATOM 0 H SER A 70 1.971 11.032 -5.440 1.00 0.00 H new ATOM 0 HA SER A 70 2.473 11.295 -2.606 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.078 11.390 -4.661 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.519 13.033 -4.905 1.00 0.00 H new ATOM 0 HG SER A 70 5.422 12.943 -3.559 1.00 0.00 H new ATOM 1156 N ASP A 71 0.952 13.868 -4.033 1.00 0.00 N ATOM 1157 CA ASP A 71 0.194 15.118 -3.662 1.00 0.00 C ATOM 1158 C ASP A 71 -1.074 14.779 -2.850 1.00 0.00 C ATOM 1159 O ASP A 71 -1.620 15.640 -2.184 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.188 15.813 -4.978 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.648 17.243 -4.686 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -1.818 17.417 -4.386 1.00 0.00 O ATOM 1163 OD2 ASP A 71 0.176 18.138 -4.767 1.00 0.00 O ATOM 0 H ASP A 71 0.940 13.626 -5.024 1.00 0.00 H new ATOM 0 HA ASP A 71 0.810 15.765 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.665 15.826 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.983 15.259 -5.477 1.00 0.00 H new ATOM 1168 N MET A 72 -1.536 13.538 -2.859 1.00 0.00 N ATOM 1169 CA MET A 72 -2.744 13.191 -2.040 1.00 0.00 C ATOM 1170 C MET A 72 -2.249 12.776 -0.654 1.00 0.00 C ATOM 1171 O MET A 72 -2.760 13.218 0.357 1.00 0.00 O ATOM 1172 CB MET A 72 -3.438 12.019 -2.749 1.00 0.00 C ATOM 1173 CG MET A 72 -4.813 11.783 -2.121 1.00 0.00 C ATOM 1174 SD MET A 72 -5.501 10.229 -2.743 1.00 0.00 S ATOM 1175 CE MET A 72 -4.612 9.123 -1.619 1.00 0.00 C ATOM 0 H MET A 72 -1.132 12.767 -3.391 1.00 0.00 H new ATOM 0 HA MET A 72 -3.443 14.021 -1.935 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.544 12.235 -3.812 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.829 11.118 -2.666 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.727 11.746 -1.035 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.481 12.610 -2.360 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.212 8.278 -2.180 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.793 9.666 -1.147 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.295 8.758 -0.852 1.00 0.00 H new ATOM 1185 N THR A 73 -1.217 11.953 -0.603 1.00 0.00 N ATOM 1186 CA THR A 73 -0.644 11.539 0.722 1.00 0.00 C ATOM 1187 C THR A 73 -0.257 12.808 1.524 1.00 0.00 C ATOM 1188 O THR A 73 -0.421 12.851 2.729 1.00 0.00 O ATOM 1189 CB THR A 73 0.589 10.664 0.370 1.00 0.00 C ATOM 1190 OG1 THR A 73 0.154 9.344 0.081 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.591 10.618 1.521 1.00 0.00 C ATOM 0 H THR A 73 -0.752 11.554 -1.419 1.00 0.00 H new ATOM 0 HA THR A 73 -1.342 10.980 1.345 1.00 0.00 H new ATOM 0 HB THR A 73 1.084 11.105 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.490 9.366 -0.657 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.441 9.997 1.239 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.937 11.628 1.743 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.111 10.197 2.405 1.00 0.00 H new ATOM 1199 N ALA A 74 0.244 13.845 0.866 1.00 0.00 N ATOM 1200 CA ALA A 74 0.616 15.099 1.624 1.00 0.00 C ATOM 1201 C ALA A 74 -0.610 15.630 2.388 1.00 0.00 C ATOM 1202 O ALA A 74 -0.497 16.070 3.517 1.00 0.00 O ATOM 1203 CB ALA A 74 1.074 16.131 0.580 1.00 0.00 C ATOM 0 H ALA A 74 0.408 13.877 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 74 1.406 14.901 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.354 17.057 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.933 15.740 0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.260 16.328 -0.118 1.00 0.00 H new ATOM 1209 N LYS A 75 -1.786 15.572 1.791 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.015 16.058 2.510 1.00 0.00 C ATOM 1211 C LYS A 75 -3.616 14.919 3.355 1.00 0.00 C ATOM 1212 O LYS A 75 -4.160 15.158 4.416 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.007 16.500 1.423 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.244 17.115 2.080 1.00 0.00 C ATOM 1215 CD LYS A 75 -5.059 18.629 2.201 1.00 0.00 C ATOM 1216 CE LYS A 75 -6.028 19.179 3.250 1.00 0.00 C ATOM 1217 NZ LYS A 75 -5.296 19.070 4.543 1.00 0.00 N ATOM 0 H LYS A 75 -1.945 15.214 0.849 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.783 16.881 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.536 17.225 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.295 15.646 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.132 16.893 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.401 16.677 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.032 18.859 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.240 19.106 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.298 20.213 3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.955 18.605 3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.896 19.428 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.058 18.074 4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.422 19.632 4.495 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.515 13.678 2.904 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.083 12.539 3.715 1.00 0.00 C ATOM 1233 C GLU A 76 -3.316 12.347 5.042 1.00 0.00 C ATOM 1234 O GLU A 76 -3.800 11.672 5.931 1.00 0.00 O ATOM 1235 CB GLU A 76 -3.952 11.275 2.849 1.00 0.00 C ATOM 1236 CG GLU A 76 -4.924 10.207 3.355 1.00 0.00 C ATOM 1237 CD GLU A 76 -5.348 9.310 2.190 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -5.806 9.845 1.193 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.209 8.105 2.315 1.00 0.00 O ATOM 0 H GLU A 76 -3.072 13.410 2.025 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.121 12.746 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.165 11.512 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.930 10.899 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.451 9.610 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.799 10.679 3.802 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.126 12.914 5.200 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.359 12.732 6.476 1.00 0.00 C ATOM 1248 C LYS A 77 -1.111 11.238 6.722 1.00 0.00 C ATOM 1249 O LYS A 77 -1.341 10.737 7.807 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.223 13.336 7.596 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.727 14.747 7.921 1.00 0.00 C ATOM 1252 CD LYS A 77 -2.032 15.072 9.384 1.00 0.00 C ATOM 1253 CE LYS A 77 -2.256 16.578 9.538 1.00 0.00 C ATOM 1254 NZ LYS A 77 -0.894 17.177 9.474 1.00 0.00 N ATOM 0 H LYS A 77 -1.663 13.491 4.498 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.386 13.223 6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.267 13.369 7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.174 12.708 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.655 14.818 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.211 15.473 7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.917 14.527 9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.206 14.750 10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.896 16.965 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.745 16.810 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.717 17.730 10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.185 16.420 9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.827 17.800 8.644 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.646 10.518 5.717 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.386 9.042 5.905 1.00 0.00 C ATOM 1270 C PHE A 78 0.580 8.813 7.080 1.00 0.00 C ATOM 1271 O PHE A 78 0.915 9.735 7.800 1.00 0.00 O ATOM 1272 CB PHE A 78 0.213 8.512 4.584 1.00 0.00 C ATOM 1273 CG PHE A 78 -0.878 7.816 3.801 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.587 6.763 4.390 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.194 8.233 2.502 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.613 6.125 3.683 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.219 7.591 1.792 1.00 0.00 C ATOM 1278 CZ PHE A 78 -2.928 6.537 2.384 1.00 0.00 C ATOM 0 H PHE A 78 -0.438 10.881 4.787 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.308 8.512 6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.630 9.334 4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.030 7.820 4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.342 6.442 5.392 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.649 9.048 2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.161 5.315 4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.462 7.909 0.789 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.718 6.043 1.837 1.00 0.00 H new ATOM 1288 N SER A 79 1.024 7.592 7.287 1.00 0.00 N ATOM 1289 CA SER A 79 1.947 7.313 8.419 1.00 0.00 C ATOM 1290 C SER A 79 3.347 7.035 7.872 1.00 0.00 C ATOM 1291 O SER A 79 3.552 7.097 6.675 1.00 0.00 O ATOM 1292 CB SER A 79 1.360 6.074 9.112 1.00 0.00 C ATOM 1293 OG SER A 79 0.949 6.423 10.427 1.00 0.00 O ATOM 0 H SER A 79 0.782 6.782 6.716 1.00 0.00 H new ATOM 0 HA SER A 79 2.038 8.147 9.115 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.512 5.692 8.543 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.103 5.278 9.150 1.00 0.00 H new ATOM 0 HG SER A 79 1.300 5.766 11.064 1.00 0.00 H new ATOM 1299 N PRO A 80 4.279 6.732 8.749 1.00 0.00 N ATOM 1300 CA PRO A 80 5.657 6.447 8.286 1.00 0.00 C ATOM 1301 C PRO A 80 5.740 5.142 7.472 1.00 0.00 C ATOM 1302 O PRO A 80 6.721 4.918 6.787 1.00 0.00 O ATOM 1303 CB PRO A 80 6.458 6.352 9.575 1.00 0.00 C ATOM 1304 CG PRO A 80 5.465 5.989 10.625 1.00 0.00 C ATOM 1305 CD PRO A 80 4.166 6.624 10.217 1.00 0.00 C ATOM 0 HA PRO A 80 6.031 7.215 7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.242 5.599 9.497 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.947 7.298 9.806 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.361 4.907 10.703 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.784 6.350 11.603 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.312 6.013 10.510 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.034 7.601 10.682 1.00 0.00 H new ATOM 1313 N LEU A 81 4.730 4.289 7.503 1.00 0.00 N ATOM 1314 CA LEU A 81 4.798 3.043 6.689 1.00 0.00 C ATOM 1315 C LEU A 81 3.779 3.105 5.547 1.00 0.00 C ATOM 1316 O LEU A 81 3.348 2.076 5.058 1.00 0.00 O ATOM 1317 CB LEU A 81 4.424 1.908 7.644 1.00 0.00 C ATOM 1318 CG LEU A 81 5.661 1.415 8.413 1.00 0.00 C ATOM 1319 CD1 LEU A 81 6.699 0.858 7.434 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.281 2.571 9.208 1.00 0.00 C ATOM 0 H LEU A 81 3.878 4.408 8.052 1.00 0.00 H new ATOM 0 HA LEU A 81 5.786 2.904 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.666 2.253 8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.986 1.083 7.082 1.00 0.00 H new ATOM 0 HG LEU A 81 5.354 0.628 9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.572 0.511 7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.266 0.025 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.999 1.641 6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.156 2.212 9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.578 3.365 8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.550 2.958 9.917 1.00 0.00 H new ATOM 1332 N THR A 82 3.367 4.287 5.118 1.00 0.00 N ATOM 1333 CA THR A 82 2.364 4.347 4.024 1.00 0.00 C ATOM 1334 C THR A 82 2.685 5.437 2.983 1.00 0.00 C ATOM 1335 O THR A 82 1.814 5.841 2.234 1.00 0.00 O ATOM 1336 CB THR A 82 1.031 4.609 4.733 1.00 0.00 C ATOM 1337 OG1 THR A 82 1.098 4.074 6.051 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.086 3.904 3.960 1.00 0.00 C ATOM 0 H THR A 82 3.682 5.188 5.478 1.00 0.00 H new ATOM 0 HA THR A 82 2.349 3.423 3.446 1.00 0.00 H new ATOM 0 HB THR A 82 0.832 5.680 4.778 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.528 4.603 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.040 4.083 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.126 4.293 2.943 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.112 2.833 3.931 1.00 0.00 H new ATOM 1346 N SER A 83 3.928 5.876 2.874 1.00 0.00 N ATOM 1347 CA SER A 83 4.272 6.878 1.821 1.00 0.00 C ATOM 1348 C SER A 83 5.413 6.304 0.959 1.00 0.00 C ATOM 1349 O SER A 83 6.300 7.006 0.516 1.00 0.00 O ATOM 1350 CB SER A 83 4.703 8.142 2.563 1.00 0.00 C ATOM 1351 OG SER A 83 3.632 8.594 3.382 1.00 0.00 O ATOM 0 H SER A 83 4.705 5.582 3.466 1.00 0.00 H new ATOM 0 HA SER A 83 3.438 7.105 1.157 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.582 7.937 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.984 8.918 1.851 1.00 0.00 H new ATOM 0 HG SER A 83 3.906 9.404 3.861 1.00 0.00 H new ATOM 1357 N ASN A 84 5.355 5.018 0.711 1.00 0.00 N ATOM 1358 CA ASN A 84 6.373 4.317 -0.134 1.00 0.00 C ATOM 1359 C ASN A 84 5.623 3.182 -0.832 1.00 0.00 C ATOM 1360 O ASN A 84 5.486 3.165 -2.041 1.00 0.00 O ATOM 1361 CB ASN A 84 7.422 3.777 0.840 1.00 0.00 C ATOM 1362 CG ASN A 84 8.574 4.782 0.961 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.591 5.589 1.870 1.00 0.00 O ATOM 1364 ND2 ASN A 84 9.546 4.773 0.082 1.00 0.00 N ATOM 0 H ASN A 84 4.622 4.407 1.071 1.00 0.00 H new ATOM 0 HA ASN A 84 6.859 4.946 -0.880 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.971 3.605 1.817 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.799 2.816 0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.312 5.441 0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.536 4.098 -0.682 1.00 0.00 H new ATOM 1371 N LEU A 85 5.043 2.279 -0.053 1.00 0.00 N ATOM 1372 CA LEU A 85 4.197 1.207 -0.665 1.00 0.00 C ATOM 1373 C LEU A 85 3.073 1.886 -1.488 1.00 0.00 C ATOM 1374 O LEU A 85 2.597 1.325 -2.457 1.00 0.00 O ATOM 1375 CB LEU A 85 3.597 0.393 0.508 1.00 0.00 C ATOM 1376 CG LEU A 85 2.608 -0.647 -0.028 1.00 0.00 C ATOM 1377 CD1 LEU A 85 3.356 -1.673 -0.882 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.930 -1.359 1.146 1.00 0.00 C ATOM 0 H LEU A 85 5.123 2.246 0.963 1.00 0.00 H new ATOM 0 HA LEU A 85 4.766 0.553 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.394 -0.103 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.092 1.062 1.205 1.00 0.00 H new ATOM 0 HG LEU A 85 1.854 -0.149 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.651 -2.412 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.839 -1.168 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.111 -2.171 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.226 -2.099 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.685 -1.856 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.396 -0.629 1.754 1.00 0.00 H new ATOM 1390 N ILE A 86 2.648 3.102 -1.122 1.00 0.00 N ATOM 1391 CA ILE A 86 1.571 3.773 -1.927 1.00 0.00 C ATOM 1392 C ILE A 86 2.043 3.957 -3.381 1.00 0.00 C ATOM 1393 O ILE A 86 1.270 3.794 -4.306 1.00 0.00 O ATOM 1394 CB ILE A 86 1.276 5.136 -1.256 1.00 0.00 C ATOM 1395 CG1 ILE A 86 0.064 5.776 -1.931 1.00 0.00 C ATOM 1396 CG2 ILE A 86 2.479 6.081 -1.382 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -0.688 6.637 -0.917 1.00 0.00 C ATOM 0 H ILE A 86 2.997 3.632 -0.324 1.00 0.00 H new ATOM 0 HA ILE A 86 0.664 3.170 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 86 1.076 4.966 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.385 6.386 -2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.595 5.004 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.246 7.032 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.346 5.633 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.700 6.250 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.553 7.094 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.021 6.014 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.027 7.418 -0.542 1.00 0.00 H new ATOM 1409 N ASN A 87 3.309 4.279 -3.595 1.00 0.00 N ATOM 1410 CA ASN A 87 3.796 4.446 -5.010 1.00 0.00 C ATOM 1411 C ASN A 87 3.672 3.103 -5.742 1.00 0.00 C ATOM 1412 O ASN A 87 3.109 3.032 -6.817 1.00 0.00 O ATOM 1413 CB ASN A 87 5.271 4.874 -4.930 1.00 0.00 C ATOM 1414 CG ASN A 87 5.355 6.392 -4.729 1.00 0.00 C ATOM 1415 OD1 ASN A 87 5.337 7.140 -5.687 1.00 0.00 O ATOM 1416 ND2 ASN A 87 5.445 6.888 -3.519 1.00 0.00 N ATOM 0 H ASN A 87 4.008 4.430 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 87 3.212 5.191 -5.551 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.765 4.360 -4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.793 4.588 -5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.500 7.898 -3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.460 6.264 -2.712 1.00 0.00 H new ATOM 1423 N LEU A 88 4.182 2.030 -5.160 1.00 0.00 N ATOM 1424 CA LEU A 88 4.079 0.677 -5.830 1.00 0.00 C ATOM 1425 C LEU A 88 2.629 0.403 -6.258 1.00 0.00 C ATOM 1426 O LEU A 88 2.386 -0.119 -7.331 1.00 0.00 O ATOM 1427 CB LEU A 88 4.514 -0.366 -4.787 1.00 0.00 C ATOM 1428 CG LEU A 88 5.996 -0.702 -4.979 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.660 -0.888 -3.613 1.00 0.00 C ATOM 1430 CD2 LEU A 88 6.128 -1.996 -5.787 1.00 0.00 C ATOM 0 H LEU A 88 4.661 2.031 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 88 4.706 0.637 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.346 0.019 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.911 -1.268 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 88 6.484 0.113 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.715 -1.127 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.569 0.032 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.170 -1.702 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.183 -2.234 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.638 -2.810 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.657 -1.866 -6.761 1.00 0.00 H new ATOM 1442 N LEU A 89 1.661 0.762 -5.436 1.00 0.00 N ATOM 1443 CA LEU A 89 0.228 0.521 -5.831 1.00 0.00 C ATOM 1444 C LEU A 89 -0.084 1.311 -7.107 1.00 0.00 C ATOM 1445 O LEU A 89 -0.725 0.806 -8.011 1.00 0.00 O ATOM 1446 CB LEU A 89 -0.651 1.013 -4.669 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.938 -0.151 -3.720 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.682 0.362 -2.480 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.797 -1.189 -4.446 1.00 0.00 C ATOM 0 H LEU A 89 1.797 1.203 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 89 0.041 -0.535 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.147 1.818 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.585 1.422 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 89 0.001 -0.607 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.884 -0.471 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.068 1.102 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.623 0.820 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.006 -2.022 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.735 -0.731 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.263 -1.554 -5.323 1.00 0.00 H new ATOM 1461 N ALA A 90 0.382 2.540 -7.202 1.00 0.00 N ATOM 1462 CA ALA A 90 0.124 3.338 -8.438 1.00 0.00 C ATOM 1463 C ALA A 90 1.412 3.451 -9.277 1.00 0.00 C ATOM 1464 O ALA A 90 1.607 4.425 -9.980 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.324 4.719 -7.947 1.00 0.00 C ATOM 0 H ALA A 90 0.924 3.016 -6.481 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.630 2.874 -9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.531 5.360 -8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.226 4.616 -7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.467 5.165 -7.343 1.00 0.00 H new ATOM 1471 N GLU A 91 2.294 2.463 -9.222 1.00 0.00 N ATOM 1472 CA GLU A 91 3.553 2.544 -10.036 1.00 0.00 C ATOM 1473 C GLU A 91 3.417 1.698 -11.312 1.00 0.00 C ATOM 1474 O GLU A 91 3.792 2.134 -12.385 1.00 0.00 O ATOM 1475 CB GLU A 91 4.674 1.992 -9.142 1.00 0.00 C ATOM 1476 CG GLU A 91 6.011 2.059 -9.886 1.00 0.00 C ATOM 1477 CD GLU A 91 7.094 1.372 -9.053 1.00 0.00 C ATOM 1478 OE1 GLU A 91 7.275 1.765 -7.913 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.725 0.464 -9.570 1.00 0.00 O ATOM 0 H GLU A 91 2.193 1.620 -8.656 1.00 0.00 H new ATOM 0 HA GLU A 91 3.763 3.567 -10.348 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.732 2.568 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.454 0.962 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.923 1.574 -10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.284 3.098 -10.072 1.00 0.00 H new ATOM 1486 N ASN A 92 2.888 0.493 -11.214 1.00 0.00 N ATOM 1487 CA ASN A 92 2.744 -0.356 -12.438 1.00 0.00 C ATOM 1488 C ASN A 92 1.261 -0.629 -12.752 1.00 0.00 C ATOM 1489 O ASN A 92 0.927 -1.675 -13.278 1.00 0.00 O ATOM 1490 CB ASN A 92 3.464 -1.662 -12.098 1.00 0.00 C ATOM 1491 CG ASN A 92 4.982 -1.437 -12.126 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.441 -0.323 -11.967 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.789 -2.451 -12.322 1.00 0.00 N ATOM 0 H ASN A 92 2.555 0.070 -10.348 1.00 0.00 H new ATOM 0 HA ASN A 92 3.161 0.132 -13.319 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.157 -2.012 -11.113 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.188 -2.438 -12.813 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.798 -2.303 -12.341 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.408 -3.388 -12.456 1.00 0.00 H new ATOM 1500 N GLY A 93 0.366 0.289 -12.436 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.076 0.053 -12.723 1.00 0.00 C ATOM 1502 C GLY A 93 -1.615 -0.954 -11.707 1.00 0.00 C ATOM 1503 O GLY A 93 -2.271 -1.913 -12.070 1.00 0.00 O ATOM 0 H GLY A 93 0.580 1.183 -11.995 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.632 0.988 -12.661 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.203 -0.327 -13.737 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.341 -0.752 -10.433 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.843 -1.717 -9.409 1.00 0.00 C ATOM 1509 C ARG A 94 -3.035 -1.130 -8.635 1.00 0.00 C ATOM 1510 O ARG A 94 -3.219 -1.431 -7.471 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.662 -1.972 -8.465 1.00 0.00 C ATOM 1512 CG ARG A 94 -0.601 -3.460 -8.108 1.00 0.00 C ATOM 1513 CD ARG A 94 0.855 -3.872 -7.878 1.00 0.00 C ATOM 1514 NE ARG A 94 1.416 -4.079 -9.241 1.00 0.00 N ATOM 1515 CZ ARG A 94 1.681 -5.286 -9.661 1.00 0.00 C ATOM 1516 NH1 ARG A 94 0.763 -6.212 -9.608 1.00 0.00 N ATOM 1517 NH2 ARG A 94 2.865 -5.566 -10.135 1.00 0.00 N ATOM 0 H ARG A 94 -0.798 0.031 -10.068 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.197 -2.638 -9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.269 -1.663 -8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.772 -1.375 -7.560 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.191 -3.654 -7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.036 -4.055 -8.911 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.403 -3.100 -7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.918 -4.783 -7.283 1.00 0.00 H new ATOM 0 HE ARG A 94 1.593 -3.278 -9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.162 -5.993 -9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.970 -7.155 -9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.582 -4.842 -10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.073 -6.509 -10.463 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.865 -0.319 -9.268 1.00 0.00 N ATOM 1532 CA LEU A 95 -5.051 0.237 -8.541 1.00 0.00 C ATOM 1533 C LEU A 95 -6.337 -0.490 -8.983 1.00 0.00 C ATOM 1534 O LEU A 95 -7.418 0.061 -8.914 1.00 0.00 O ATOM 1535 CB LEU A 95 -5.105 1.725 -8.901 1.00 0.00 C ATOM 1536 CG LEU A 95 -4.220 2.513 -7.930 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -3.875 3.872 -8.538 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.968 2.722 -6.611 1.00 0.00 C ATOM 0 H LEU A 95 -3.770 -0.026 -10.240 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.968 0.099 -7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.765 1.876 -9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.132 2.086 -8.850 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.302 1.955 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.245 4.431 -7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.341 3.726 -9.477 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.792 4.430 -8.726 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.338 3.283 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.886 3.279 -6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.213 1.754 -6.174 1.00 0.00 H new ATOM 1550 N THR A 96 -6.231 -1.738 -9.398 1.00 0.00 N ATOM 1551 CA THR A 96 -7.444 -2.514 -9.795 1.00 0.00 C ATOM 1552 C THR A 96 -7.692 -3.555 -8.698 1.00 0.00 C ATOM 1553 O THR A 96 -8.754 -3.601 -8.105 1.00 0.00 O ATOM 1554 CB THR A 96 -7.094 -3.191 -11.125 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.975 -4.046 -10.940 1.00 0.00 O ATOM 1556 CG2 THR A 96 -6.759 -2.126 -12.170 1.00 0.00 C ATOM 0 H THR A 96 -5.351 -2.247 -9.476 1.00 0.00 H new ATOM 0 HA THR A 96 -8.338 -1.902 -9.911 1.00 0.00 H new ATOM 0 HB THR A 96 -7.946 -3.778 -11.469 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.286 -4.956 -10.749 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.510 -2.609 -13.115 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.620 -1.472 -12.312 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.908 -1.537 -11.829 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.691 -4.357 -8.384 1.00 0.00 N ATOM 1565 CA ASN A 97 -6.838 -5.349 -7.284 1.00 0.00 C ATOM 1566 C ASN A 97 -6.076 -4.836 -6.046 1.00 0.00 C ATOM 1567 O ASN A 97 -5.473 -5.609 -5.325 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.202 -6.642 -7.808 1.00 0.00 C ATOM 1569 CG ASN A 97 -6.952 -7.113 -9.059 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -6.424 -6.931 -10.245 1.00 0.00 O flip ATOM 1571 ND2 ASN A 97 -8.035 -7.655 -8.959 1.00 0.00 N flip ATOM 0 H ASN A 97 -5.783 -4.359 -8.848 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.877 -5.510 -6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.151 -6.473 -8.044 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.236 -7.414 -7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.450 -7.799 -8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.529 -7.966 -9.796 1.00 0.00 H new ATOM 1578 N THR A 98 -6.089 -3.530 -5.794 1.00 0.00 N ATOM 1579 CA THR A 98 -5.350 -2.997 -4.600 1.00 0.00 C ATOM 1580 C THR A 98 -6.000 -3.388 -3.246 1.00 0.00 C ATOM 1581 O THR A 98 -5.273 -3.544 -2.283 1.00 0.00 O ATOM 1582 CB THR A 98 -5.267 -1.461 -4.755 1.00 0.00 C ATOM 1583 OG1 THR A 98 -4.398 -0.938 -3.761 1.00 0.00 O ATOM 1584 CG2 THR A 98 -6.648 -0.824 -4.602 1.00 0.00 C ATOM 0 H THR A 98 -6.572 -2.830 -6.357 1.00 0.00 H new ATOM 0 HA THR A 98 -4.357 -3.445 -4.574 1.00 0.00 H new ATOM 0 HB THR A 98 -4.886 -1.231 -5.750 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.353 0.037 -3.846 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.565 0.257 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.317 -1.218 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.048 -1.056 -3.615 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.323 -3.543 -3.164 1.00 0.00 N ATOM 1593 CA PRO A 99 -7.923 -3.919 -1.854 1.00 0.00 C ATOM 1594 C PRO A 99 -7.510 -5.350 -1.469 1.00 0.00 C ATOM 1595 O PRO A 99 -7.276 -5.632 -0.308 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.427 -3.808 -2.084 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.601 -3.974 -3.554 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.366 -3.408 -4.204 1.00 0.00 C ATOM 0 HA PRO A 99 -7.592 -3.283 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.969 -4.576 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.809 -2.844 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.727 -5.025 -3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.494 -3.452 -3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.103 -3.958 -5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.509 -2.367 -4.494 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.398 -6.255 -2.426 1.00 0.00 N ATOM 1607 CA ALA A 100 -6.973 -7.661 -2.075 1.00 0.00 C ATOM 1608 C ALA A 100 -5.602 -7.632 -1.374 1.00 0.00 C ATOM 1609 O ALA A 100 -5.365 -8.379 -0.443 1.00 0.00 O ATOM 1610 CB ALA A 100 -6.873 -8.440 -3.397 1.00 0.00 C ATOM 0 H ALA A 100 -7.578 -6.086 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.688 -8.131 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.567 -9.466 -3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.844 -8.442 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.137 -7.964 -4.045 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.699 -6.767 -1.802 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.350 -6.702 -1.129 1.00 0.00 C ATOM 1618 C VAL A 101 -3.520 -6.244 0.330 1.00 0.00 C ATOM 1619 O VAL A 101 -2.843 -6.733 1.215 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.504 -5.679 -1.912 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.103 -5.593 -1.299 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.389 -6.118 -3.375 1.00 0.00 C ATOM 0 H VAL A 101 -4.834 -6.114 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.866 -7.678 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.985 -4.702 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.507 -4.869 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.180 -5.278 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.624 -6.571 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.790 -5.393 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.911 -7.096 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.384 -6.178 -3.816 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.419 -5.312 0.594 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.611 -4.844 2.015 1.00 0.00 C ATOM 1634 C ILE A 102 -5.201 -5.986 2.864 1.00 0.00 C ATOM 1635 O ILE A 102 -4.824 -6.162 4.008 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.581 -3.647 1.963 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -4.949 -2.514 1.148 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -5.867 -3.143 3.381 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.049 -1.664 0.507 1.00 0.00 C ATOM 0 H ILE A 102 -5.017 -4.863 -0.099 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.665 -4.550 2.469 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.513 -3.965 1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.326 -1.894 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.299 -2.927 0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.553 -2.297 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.317 -3.944 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.935 -2.829 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.596 -0.859 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.654 -2.288 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.681 -1.239 1.287 1.00 0.00 H new ATOM 1651 N SER A 103 -6.120 -6.766 2.321 1.00 0.00 N ATOM 1652 CA SER A 103 -6.711 -7.895 3.132 1.00 0.00 C ATOM 1653 C SER A 103 -5.594 -8.852 3.572 1.00 0.00 C ATOM 1654 O SER A 103 -5.541 -9.258 4.718 1.00 0.00 O ATOM 1655 CB SER A 103 -7.708 -8.626 2.221 1.00 0.00 C ATOM 1656 OG SER A 103 -8.744 -7.728 1.843 1.00 0.00 O ATOM 0 H SER A 103 -6.480 -6.673 1.371 1.00 0.00 H new ATOM 0 HA SER A 103 -7.209 -7.522 4.027 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.198 -9.005 1.335 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.129 -9.487 2.740 1.00 0.00 H new ATOM 0 HG SER A 103 -9.381 -8.191 1.260 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.688 -9.204 2.679 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.562 -10.126 3.081 1.00 0.00 C ATOM 1664 C ALA A 104 -2.792 -9.529 4.277 1.00 0.00 C ATOM 1665 O ALA A 104 -2.305 -10.253 5.125 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.632 -10.249 1.864 1.00 0.00 C ATOM 0 H ALA A 104 -4.677 -8.900 1.706 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.943 -11.102 3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.799 -10.909 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.187 -10.662 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.249 -9.264 1.598 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.683 -8.212 4.359 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.946 -7.588 5.519 1.00 0.00 C ATOM 1674 C PHE A 105 -2.572 -8.047 6.842 1.00 0.00 C ATOM 1675 O PHE A 105 -1.871 -8.398 7.773 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.112 -6.066 5.369 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.159 -5.345 6.293 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.335 -5.406 7.682 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.101 -4.604 5.758 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.455 -4.730 8.527 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.777 -3.928 6.606 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.600 -3.992 7.990 1.00 0.00 C ATOM 0 H PHE A 105 -3.067 -7.552 3.682 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.895 -7.878 5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.922 -5.772 4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.139 -5.780 5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.152 -5.977 8.098 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.037 -4.555 4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.590 -4.778 9.597 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.594 -3.355 6.192 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.281 -3.469 8.645 1.00 0.00 H new ATOM 1692 N SER A 106 -3.887 -8.045 6.937 1.00 0.00 N ATOM 1693 CA SER A 106 -4.536 -8.486 8.223 1.00 0.00 C ATOM 1694 C SER A 106 -4.177 -9.950 8.511 1.00 0.00 C ATOM 1695 O SER A 106 -3.905 -10.309 9.642 1.00 0.00 O ATOM 1696 CB SER A 106 -6.053 -8.336 8.034 1.00 0.00 C ATOM 1697 OG SER A 106 -6.378 -6.956 7.925 1.00 0.00 O ATOM 0 H SER A 106 -4.528 -7.763 6.196 1.00 0.00 H new ATOM 0 HA SER A 106 -4.192 -7.885 9.065 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.374 -8.869 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.582 -8.781 8.877 1.00 0.00 H new ATOM 0 HG SER A 106 -7.345 -6.856 7.803 1.00 0.00 H new ATOM 1703 N THR A 107 -4.161 -10.798 7.502 1.00 0.00 N ATOM 1704 CA THR A 107 -3.800 -12.237 7.752 1.00 0.00 C ATOM 1705 C THR A 107 -2.305 -12.344 8.077 1.00 0.00 C ATOM 1706 O THR A 107 -1.915 -13.113 8.937 1.00 0.00 O ATOM 1707 CB THR A 107 -4.129 -13.012 6.466 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.491 -12.801 6.124 1.00 0.00 O ATOM 1709 CG2 THR A 107 -3.882 -14.504 6.691 1.00 0.00 C ATOM 0 H THR A 107 -4.378 -10.562 6.534 1.00 0.00 H new ATOM 0 HA THR A 107 -4.356 -12.645 8.596 1.00 0.00 H new ATOM 0 HB THR A 107 -3.492 -12.659 5.655 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.702 -13.293 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.115 -15.053 5.779 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.836 -14.664 6.953 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.518 -14.860 7.502 1.00 0.00 H new ATOM 1717 N MET A 108 -1.461 -11.570 7.420 1.00 0.00 N ATOM 1718 CA MET A 108 0.004 -11.644 7.742 1.00 0.00 C ATOM 1719 C MET A 108 0.250 -11.051 9.136 1.00 0.00 C ATOM 1720 O MET A 108 1.072 -11.547 9.883 1.00 0.00 O ATOM 1721 CB MET A 108 0.740 -10.823 6.677 1.00 0.00 C ATOM 1722 CG MET A 108 0.550 -11.471 5.302 1.00 0.00 C ATOM 1723 SD MET A 108 1.363 -13.089 5.270 1.00 0.00 S ATOM 1724 CE MET A 108 1.222 -13.379 3.489 1.00 0.00 C ATOM 0 H MET A 108 -1.719 -10.905 6.691 1.00 0.00 H new ATOM 0 HA MET A 108 0.360 -12.674 7.743 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.359 -9.802 6.664 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.801 -10.764 6.918 1.00 0.00 H new ATOM 0 HG2 MET A 108 -0.513 -11.583 5.086 1.00 0.00 H new ATOM 0 HG3 MET A 108 0.967 -10.829 4.526 1.00 0.00 H new ATOM 0 HE1 MET A 108 1.669 -14.342 3.241 1.00 0.00 H new ATOM 0 HE2 MET A 108 0.170 -13.382 3.203 1.00 0.00 H new ATOM 0 HE3 MET A 108 1.742 -12.588 2.949 1.00 0.00 H new ATOM 1734 N MET A 109 -0.463 -9.997 9.504 1.00 0.00 N ATOM 1735 CA MET A 109 -0.252 -9.402 10.872 1.00 0.00 C ATOM 1736 C MET A 109 -0.533 -10.468 11.942 1.00 0.00 C ATOM 1737 O MET A 109 0.184 -10.565 12.913 1.00 0.00 O ATOM 1738 CB MET A 109 -1.248 -8.235 11.009 1.00 0.00 C ATOM 1739 CG MET A 109 -1.071 -7.559 12.373 1.00 0.00 C ATOM 1740 SD MET A 109 -2.196 -8.312 13.577 1.00 0.00 S ATOM 1741 CE MET A 109 -2.373 -6.869 14.655 1.00 0.00 C ATOM 0 H MET A 109 -1.166 -9.534 8.928 1.00 0.00 H new ATOM 0 HA MET A 109 0.772 -9.052 11.001 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.086 -7.511 10.210 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.269 -8.602 10.904 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.040 -7.663 12.710 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.273 -6.491 12.290 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.890 -7.159 15.570 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.387 -6.478 14.904 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.950 -6.100 14.141 1.00 0.00 H new ATOM 1751 N SER A 110 -1.552 -11.288 11.778 1.00 0.00 N ATOM 1752 CA SER A 110 -1.817 -12.347 12.828 1.00 0.00 C ATOM 1753 C SER A 110 -0.560 -13.209 13.046 1.00 0.00 C ATOM 1754 O SER A 110 -0.297 -13.650 14.150 1.00 0.00 O ATOM 1755 CB SER A 110 -2.965 -13.220 12.310 1.00 0.00 C ATOM 1756 OG SER A 110 -3.758 -13.652 13.409 1.00 0.00 O ATOM 0 H SER A 110 -2.198 -11.277 10.988 1.00 0.00 H new ATOM 0 HA SER A 110 -2.076 -11.886 13.781 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.576 -12.657 11.605 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.569 -14.081 11.772 1.00 0.00 H new ATOM 0 HG SER A 110 -4.495 -14.209 13.082 1.00 0.00 H new ATOM 1762 N VAL A 111 0.227 -13.445 12.013 1.00 0.00 N ATOM 1763 CA VAL A 111 1.470 -14.274 12.201 1.00 0.00 C ATOM 1764 C VAL A 111 2.583 -13.465 12.904 1.00 0.00 C ATOM 1765 O VAL A 111 3.527 -14.045 13.408 1.00 0.00 O ATOM 1766 CB VAL A 111 1.931 -14.706 10.798 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.147 -15.626 10.917 1.00 0.00 C ATOM 1768 CG2 VAL A 111 0.796 -15.457 10.096 1.00 0.00 C ATOM 0 H VAL A 111 0.066 -13.106 11.065 1.00 0.00 H new ATOM 0 HA VAL A 111 1.259 -15.136 12.833 1.00 0.00 H new ATOM 0 HB VAL A 111 2.199 -13.822 10.219 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.472 -15.931 9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.957 -15.095 11.416 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.880 -16.509 11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.122 -15.763 9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.529 -16.339 10.678 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.072 -14.804 10.008 1.00 0.00 H new ATOM 1778 N HIS A 112 2.491 -12.144 12.966 1.00 0.00 N ATOM 1779 CA HIS A 112 3.556 -11.364 13.660 1.00 0.00 C ATOM 1780 C HIS A 112 3.260 -11.293 15.180 1.00 0.00 C ATOM 1781 O HIS A 112 4.158 -11.063 15.968 1.00 0.00 O ATOM 1782 CB HIS A 112 3.567 -9.970 12.964 1.00 0.00 C ATOM 1783 CG HIS A 112 2.916 -8.899 13.807 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.590 -8.941 14.194 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.423 -7.770 14.356 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.351 -7.859 14.948 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.441 -7.104 15.081 1.00 0.00 N ATOM 0 H HIS A 112 1.732 -11.591 12.569 1.00 0.00 H new ATOM 0 HA HIS A 112 4.542 -11.822 13.585 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.596 -9.683 12.748 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.049 -10.041 12.008 1.00 0.00 H new ATOM 0 HD1 HIS A 112 0.915 -9.665 13.950 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.444 -7.435 14.247 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.394 -7.628 15.392 1.00 0.00 H new ATOM 1795 N ARG A 113 2.016 -11.480 15.602 1.00 0.00 N ATOM 1796 CA ARG A 113 1.721 -11.408 17.070 1.00 0.00 C ATOM 1797 C ARG A 113 1.682 -12.817 17.696 1.00 0.00 C ATOM 1798 O ARG A 113 2.021 -12.985 18.853 1.00 0.00 O ATOM 1799 CB ARG A 113 0.350 -10.730 17.192 1.00 0.00 C ATOM 1800 CG ARG A 113 0.332 -9.835 18.433 1.00 0.00 C ATOM 1801 CD ARG A 113 -0.696 -8.716 18.243 1.00 0.00 C ATOM 1802 NE ARG A 113 -1.922 -9.199 18.938 1.00 0.00 N ATOM 1803 CZ ARG A 113 -2.426 -8.512 19.925 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -1.911 -8.611 21.120 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -3.446 -7.724 19.718 1.00 0.00 N ATOM 0 H ARG A 113 1.215 -11.675 15.001 1.00 0.00 H new ATOM 0 HA ARG A 113 2.494 -10.851 17.599 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.145 -10.138 16.300 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.435 -11.483 17.262 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.084 -10.425 19.316 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.321 -9.409 18.601 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.343 -7.778 18.671 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.888 -8.531 17.186 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.367 -10.067 18.642 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.114 -9.226 21.282 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.306 -8.073 21.892 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.849 -7.646 18.784 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.840 -7.187 20.490 1.00 0.00 H new ATOM 1819 N GLY A 114 1.269 -13.834 16.956 1.00 0.00 N ATOM 1820 CA GLY A 114 1.213 -15.213 17.534 1.00 0.00 C ATOM 1821 C GLY A 114 2.590 -15.628 18.085 1.00 0.00 C ATOM 1822 O GLY A 114 2.670 -16.321 19.082 1.00 0.00 O ATOM 0 H GLY A 114 0.972 -13.761 15.983 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.471 -15.249 18.331 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.893 -15.921 16.769 1.00 0.00 H new ATOM 2000 N GLU B 7 9.314 -9.135 -6.341 1.00 0.00 N ATOM 2001 CA GLU B 7 9.355 -8.756 -4.889 1.00 0.00 C ATOM 2002 C GLU B 7 10.008 -7.377 -4.726 1.00 0.00 C ATOM 2003 O GLU B 7 10.878 -7.193 -3.895 1.00 0.00 O ATOM 2004 CB GLU B 7 10.189 -9.839 -4.191 1.00 0.00 C ATOM 2005 CG GLU B 7 9.257 -10.904 -3.610 1.00 0.00 C ATOM 2006 CD GLU B 7 10.058 -12.171 -3.305 1.00 0.00 C ATOM 2007 OE1 GLU B 7 10.708 -12.204 -2.273 1.00 0.00 O ATOM 2008 OE2 GLU B 7 10.009 -13.087 -4.110 1.00 0.00 O ATOM 0 HA GLU B 7 8.356 -8.693 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU B 7 10.881 -10.294 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU B 7 10.791 -9.395 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU B 7 8.784 -10.532 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU B 7 8.458 -11.128 -4.316 1.00 0.00 H new ATOM 2015 N VAL B 8 9.596 -6.403 -5.515 1.00 0.00 N ATOM 2016 CA VAL B 8 10.211 -5.031 -5.389 1.00 0.00 C ATOM 2017 C VAL B 8 10.006 -4.499 -3.961 1.00 0.00 C ATOM 2018 O VAL B 8 10.901 -3.911 -3.384 1.00 0.00 O ATOM 2019 CB VAL B 8 9.502 -4.124 -6.412 1.00 0.00 C ATOM 2020 CG1 VAL B 8 10.073 -2.705 -6.327 1.00 0.00 C ATOM 2021 CG2 VAL B 8 9.732 -4.677 -7.821 1.00 0.00 C ATOM 0 H VAL B 8 8.873 -6.494 -6.229 1.00 0.00 H new ATOM 0 HA VAL B 8 11.283 -5.058 -5.583 1.00 0.00 H new ATOM 0 HB VAL B 8 8.434 -4.098 -6.194 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.569 -2.066 -7.052 1.00 0.00 H new ATOM 0 HG12 VAL B 8 9.916 -2.309 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL B 8 11.141 -2.729 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL B 8 9.232 -4.038 -8.549 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.801 -4.700 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL B 8 9.327 -5.687 -7.886 1.00 0.00 H new ATOM 2031 N SER B 9 8.842 -4.712 -3.378 1.00 0.00 N ATOM 2032 CA SER B 9 8.618 -4.219 -1.970 1.00 0.00 C ATOM 2033 C SER B 9 9.656 -4.851 -1.023 1.00 0.00 C ATOM 2034 O SER B 9 10.092 -4.222 -0.076 1.00 0.00 O ATOM 2035 CB SER B 9 7.201 -4.652 -1.566 1.00 0.00 C ATOM 2036 OG SER B 9 6.985 -4.333 -0.198 1.00 0.00 O ATOM 0 H SER B 9 8.052 -5.196 -3.805 1.00 0.00 H new ATOM 0 HA SER B 9 8.725 -3.136 -1.911 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.463 -4.148 -2.190 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.076 -5.723 -1.726 1.00 0.00 H new ATOM 0 HG SER B 9 6.063 -4.556 0.048 1.00 0.00 H new ATOM 2042 N SER B 10 10.065 -6.084 -1.270 1.00 0.00 N ATOM 2043 CA SER B 10 11.085 -6.724 -0.367 1.00 0.00 C ATOM 2044 C SER B 10 12.425 -5.990 -0.498 1.00 0.00 C ATOM 2045 O SER B 10 12.982 -5.538 0.485 1.00 0.00 O ATOM 2046 CB SER B 10 11.233 -8.180 -0.833 1.00 0.00 C ATOM 2047 OG SER B 10 12.278 -8.805 -0.100 1.00 0.00 O ATOM 0 H SER B 10 9.742 -6.664 -2.044 1.00 0.00 H new ATOM 0 HA SER B 10 10.776 -6.677 0.677 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.297 -8.718 -0.684 1.00 0.00 H new ATOM 0 HB3 SER B 10 11.453 -8.212 -1.900 1.00 0.00 H new ATOM 0 HG SER B 10 12.373 -9.735 -0.395 1.00 0.00 H new ATOM 2053 N ILE B 11 12.950 -5.858 -1.703 1.00 0.00 N ATOM 2054 CA ILE B 11 14.263 -5.133 -1.860 1.00 0.00 C ATOM 2055 C ILE B 11 14.144 -3.690 -1.327 1.00 0.00 C ATOM 2056 O ILE B 11 15.108 -3.137 -0.832 1.00 0.00 O ATOM 2057 CB ILE B 11 14.613 -5.142 -3.363 1.00 0.00 C ATOM 2058 CG1 ILE B 11 15.974 -4.474 -3.572 1.00 0.00 C ATOM 2059 CG2 ILE B 11 13.552 -4.387 -4.165 1.00 0.00 C ATOM 2060 CD1 ILE B 11 16.551 -4.905 -4.921 1.00 0.00 C ATOM 0 H ILE B 11 12.537 -6.212 -2.566 1.00 0.00 H new ATOM 0 HA ILE B 11 15.050 -5.623 -1.287 1.00 0.00 H new ATOM 0 HB ILE B 11 14.648 -6.175 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE B 11 15.868 -3.390 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE B 11 16.655 -4.752 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE B 11 13.815 -4.404 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE B 11 12.582 -4.864 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE B 11 13.502 -3.354 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE B 11 17.520 -4.430 -5.071 1.00 0.00 H new ATOM 0 HD12 ILE B 11 16.672 -5.988 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE B 11 15.873 -4.605 -5.720 1.00 0.00 H new ATOM 2072 N LEU B 12 12.975 -3.075 -1.410 1.00 0.00 N ATOM 2073 CA LEU B 12 12.837 -1.670 -0.883 1.00 0.00 C ATOM 2074 C LEU B 12 13.027 -1.663 0.643 1.00 0.00 C ATOM 2075 O LEU B 12 13.623 -0.751 1.187 1.00 0.00 O ATOM 2076 CB LEU B 12 11.419 -1.196 -1.242 1.00 0.00 C ATOM 2077 CG LEU B 12 11.378 0.333 -1.251 1.00 0.00 C ATOM 2078 CD1 LEU B 12 11.979 0.852 -2.558 1.00 0.00 C ATOM 2079 CD2 LEU B 12 9.925 0.802 -1.138 1.00 0.00 C ATOM 0 H LEU B 12 12.128 -3.478 -1.812 1.00 0.00 H new ATOM 0 HA LEU B 12 13.589 -1.011 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU B 12 11.131 -1.584 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.701 -1.585 -0.521 1.00 0.00 H new ATOM 0 HG LEU B 12 11.953 0.718 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU B 12 11.950 1.942 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU B 12 13.013 0.516 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU B 12 11.404 0.469 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU B 12 9.893 1.892 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU B 12 9.352 0.417 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU B 12 9.494 0.432 -0.208 1.00 0.00 H new ATOM 2091 N GLU B 13 12.531 -2.668 1.345 1.00 0.00 N ATOM 2092 CA GLU B 13 12.705 -2.686 2.845 1.00 0.00 C ATOM 2093 C GLU B 13 14.201 -2.662 3.200 1.00 0.00 C ATOM 2094 O GLU B 13 14.609 -1.984 4.125 1.00 0.00 O ATOM 2095 CB GLU B 13 12.063 -3.987 3.352 1.00 0.00 C ATOM 2096 CG GLU B 13 12.126 -4.028 4.881 1.00 0.00 C ATOM 2097 CD GLU B 13 12.337 -5.470 5.346 1.00 0.00 C ATOM 2098 OE1 GLU B 13 13.425 -5.984 5.143 1.00 0.00 O ATOM 2099 OE2 GLU B 13 11.408 -6.036 5.898 1.00 0.00 O ATOM 0 H GLU B 13 12.023 -3.461 0.954 1.00 0.00 H new ATOM 0 HA GLU B 13 12.237 -1.815 3.305 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.027 -4.047 3.019 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.583 -4.848 2.933 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.939 -3.397 5.239 1.00 0.00 H new ATOM 0 HG3 GLU B 13 11.204 -3.630 5.304 1.00 0.00 H new ATOM 2106 N GLU B 14 15.025 -3.394 2.475 1.00 0.00 N ATOM 2107 CA GLU B 14 16.499 -3.392 2.794 1.00 0.00 C ATOM 2108 C GLU B 14 17.071 -1.972 2.638 1.00 0.00 C ATOM 2109 O GLU B 14 17.902 -1.550 3.421 1.00 0.00 O ATOM 2110 CB GLU B 14 17.171 -4.344 1.791 1.00 0.00 C ATOM 2111 CG GLU B 14 18.656 -4.484 2.133 1.00 0.00 C ATOM 2112 CD GLU B 14 19.311 -5.472 1.167 1.00 0.00 C ATOM 2113 OE1 GLU B 14 19.055 -5.367 -0.022 1.00 0.00 O ATOM 2114 OE2 GLU B 14 20.057 -6.318 1.631 1.00 0.00 O ATOM 0 H GLU B 14 14.748 -3.983 1.690 1.00 0.00 H new ATOM 0 HA GLU B 14 16.678 -3.713 3.820 1.00 0.00 H new ATOM 0 HB2 GLU B 14 16.687 -5.320 1.820 1.00 0.00 H new ATOM 0 HB3 GLU B 14 17.055 -3.961 0.777 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.148 -3.514 2.067 1.00 0.00 H new ATOM 0 HG3 GLU B 14 18.772 -4.831 3.160 1.00 0.00 H new