USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 991 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 76 TYR OH : rot 1:sc= 1.28 USER MOD Set 1.2: A 96 HIS : no HD1:sc= 1.4 K(o=2.7,f=-13!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ 149:sc= 1.67 (180deg=1.26) USER MOD Set 2.2: A 131 GLN : amide:sc= -0.442 K(o=1.2,f=-1.1) USER MOD Set 3.1: A 16 MET CE :methyl 136:sc= -2.13 (180deg=-1.51) USER MOD Set 3.2: A 63 MET CE :methyl 141:sc= -0.754 (180deg=-2.6!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.244 K(o=0.24,f=-4.4!) USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.15) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc=-0.00413 K(o=-0.0041,f=-1) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.08 F(o=-1,f=-0.08) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -14:sc= 1.17 USER MOD Single : A 55 GLN :FLIP amide:sc= 0.431 F(o=-0.96!,f=0.43) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 62 SER OG : rot 180:sc= 0.135 USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 0.867 (180deg=0.574) USER MOD Single : A 73 SER OG : rot 91:sc= 1.11 USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -0.0496 (180deg=-0.294) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.588 F(o=-2!,f=-0.59) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.155 F(o=-1.7!,f=-0.16) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -52:sc= 0.56 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.015) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 83:sc= 1.17 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 180:sc= -0.297 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 158:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 215 N TYR A 14 -4.869 -11.003 -7.773 1.00 0.00 N ATOM 216 CA TYR A 14 -6.024 -10.149 -7.569 1.00 0.00 C ATOM 217 C TYR A 14 -5.735 -8.754 -8.099 1.00 0.00 C ATOM 218 O TYR A 14 -4.803 -8.087 -7.652 1.00 0.00 O ATOM 219 CB TYR A 14 -6.399 -10.094 -6.084 1.00 0.00 C ATOM 220 CG TYR A 14 -6.902 -11.414 -5.542 1.00 0.00 C ATOM 221 CD1 TYR A 14 -8.250 -11.744 -5.614 1.00 0.00 C ATOM 222 CD2 TYR A 14 -6.032 -12.333 -4.969 1.00 0.00 C ATOM 223 CE1 TYR A 14 -8.717 -12.951 -5.130 1.00 0.00 C ATOM 224 CE2 TYR A 14 -6.491 -13.544 -4.484 1.00 0.00 C ATOM 225 CZ TYR A 14 -7.834 -13.847 -4.567 1.00 0.00 C ATOM 226 OH TYR A 14 -8.296 -15.056 -4.094 1.00 0.00 O ATOM 0 HA TYR A 14 -6.870 -10.565 -8.116 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.528 -9.782 -5.508 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.167 -9.334 -5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.945 -11.045 -6.056 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.980 -12.098 -4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.768 -13.191 -5.193 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.802 -14.249 -4.043 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.547 -15.572 -3.729 1.00 0.00 H new ATOM 236 N ALA A 15 -6.521 -8.332 -9.076 1.00 0.00 N ATOM 237 CA ALA A 15 -6.355 -7.026 -9.684 1.00 0.00 C ATOM 238 C ALA A 15 -7.710 -6.460 -10.070 1.00 0.00 C ATOM 239 O ALA A 15 -8.644 -7.213 -10.348 1.00 0.00 O ATOM 240 CB ALA A 15 -5.449 -7.123 -10.906 1.00 0.00 C ATOM 0 H ALA A 15 -7.286 -8.882 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.888 -6.356 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.333 -6.135 -11.352 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.472 -7.502 -10.606 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.893 -7.801 -11.635 1.00 0.00 H new ATOM 246 N MET A 16 -7.826 -5.144 -10.080 1.00 0.00 N ATOM 247 CA MET A 16 -9.074 -4.508 -10.456 1.00 0.00 C ATOM 248 C MET A 16 -8.920 -3.745 -11.760 1.00 0.00 C ATOM 249 O MET A 16 -8.197 -2.753 -11.834 1.00 0.00 O ATOM 250 CB MET A 16 -9.573 -3.574 -9.357 1.00 0.00 C ATOM 251 CG MET A 16 -10.880 -2.882 -9.715 1.00 0.00 C ATOM 252 SD MET A 16 -11.556 -1.908 -8.361 1.00 0.00 S ATOM 253 CE MET A 16 -11.908 -3.185 -7.157 1.00 0.00 C ATOM 0 H MET A 16 -7.075 -4.499 -9.833 1.00 0.00 H new ATOM 0 HA MET A 16 -9.814 -5.296 -10.597 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.709 -4.143 -8.438 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.812 -2.820 -9.155 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.717 -2.233 -10.576 1.00 0.00 H new ATOM 0 HG3 MET A 16 -11.611 -3.632 -10.016 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.579 -2.856 -6.171 1.00 0.00 H new ATOM 0 HE2 MET A 16 -12.980 -3.379 -7.135 1.00 0.00 H new ATOM 0 HE3 MET A 16 -11.380 -4.098 -7.430 1.00 0.00 H new ATOM 263 N LYS A 17 -9.596 -4.232 -12.786 1.00 0.00 N ATOM 264 CA LYS A 17 -9.589 -3.598 -14.092 1.00 0.00 C ATOM 265 C LYS A 17 -11.010 -3.563 -14.645 1.00 0.00 C ATOM 266 O LYS A 17 -11.846 -4.378 -14.245 1.00 0.00 O ATOM 267 CB LYS A 17 -8.665 -4.365 -15.045 1.00 0.00 C ATOM 268 CG LYS A 17 -9.017 -5.840 -15.180 1.00 0.00 C ATOM 269 CD LYS A 17 -8.098 -6.549 -16.157 1.00 0.00 C ATOM 270 CE LYS A 17 -8.417 -8.033 -16.229 1.00 0.00 C ATOM 271 NZ LYS A 17 -7.575 -8.738 -17.231 1.00 0.00 N ATOM 0 H LYS A 17 -10.165 -5.077 -12.737 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.217 -2.578 -13.998 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.705 -3.899 -16.030 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.638 -4.276 -14.692 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.951 -6.321 -14.204 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.050 -5.939 -15.515 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.201 -6.103 -17.146 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.061 -6.411 -15.851 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.266 -8.484 -15.248 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.469 -8.165 -16.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.826 -9.747 -17.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.737 -8.326 -18.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.572 -8.635 -16.976 1.00 0.00 H new ATOM 285 N PRO A 18 -11.317 -2.610 -15.539 1.00 0.00 N ATOM 286 CA PRO A 18 -12.621 -2.542 -16.198 1.00 0.00 C ATOM 287 C PRO A 18 -12.961 -3.846 -16.912 1.00 0.00 C ATOM 288 O PRO A 18 -12.166 -4.362 -17.706 1.00 0.00 O ATOM 289 CB PRO A 18 -12.473 -1.395 -17.210 1.00 0.00 C ATOM 290 CG PRO A 18 -11.007 -1.123 -17.294 1.00 0.00 C ATOM 291 CD PRO A 18 -10.432 -1.519 -15.964 1.00 0.00 C ATOM 0 HA PRO A 18 -13.428 -2.378 -15.484 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.876 -1.676 -18.183 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.018 -0.510 -16.882 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.550 -1.695 -18.102 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.817 -0.070 -17.502 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.397 -1.849 -16.053 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.443 -0.690 -15.256 1.00 0.00 H new ATOM 299 N GLY A 19 -14.131 -4.385 -16.612 1.00 0.00 N ATOM 300 CA GLY A 19 -14.559 -5.624 -17.229 1.00 0.00 C ATOM 301 C GLY A 19 -14.574 -6.781 -16.251 1.00 0.00 C ATOM 302 O GLY A 19 -14.446 -7.942 -16.647 1.00 0.00 O ATOM 0 H GLY A 19 -14.796 -3.986 -15.949 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.557 -5.493 -17.648 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.894 -5.862 -18.059 1.00 0.00 H new ATOM 306 N LEU A 20 -14.729 -6.471 -14.973 1.00 0.00 N ATOM 307 CA LEU A 20 -14.804 -7.497 -13.944 1.00 0.00 C ATOM 308 C LEU A 20 -16.156 -7.451 -13.247 1.00 0.00 C ATOM 309 O LEU A 20 -16.752 -6.382 -13.102 1.00 0.00 O ATOM 310 CB LEU A 20 -13.684 -7.322 -12.917 1.00 0.00 C ATOM 311 CG LEU A 20 -12.268 -7.540 -13.451 1.00 0.00 C ATOM 312 CD1 LEU A 20 -11.250 -7.330 -12.343 1.00 0.00 C ATOM 313 CD2 LEU A 20 -12.130 -8.936 -14.042 1.00 0.00 C ATOM 0 H LEU A 20 -14.805 -5.516 -14.623 1.00 0.00 H new ATOM 0 HA LEU A 20 -14.684 -8.467 -14.426 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.747 -6.316 -12.503 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.856 -8.017 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.079 -6.812 -14.240 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.246 -7.488 -12.737 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.334 -6.313 -11.960 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.439 -8.038 -11.536 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.116 -9.074 -14.417 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.336 -9.679 -13.272 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.839 -9.056 -14.861 1.00 0.00 H new ATOM 325 N SER A 21 -16.634 -8.611 -12.824 1.00 0.00 N ATOM 326 CA SER A 21 -17.911 -8.706 -12.135 1.00 0.00 C ATOM 327 C SER A 21 -17.799 -8.171 -10.706 1.00 0.00 C ATOM 328 O SER A 21 -16.696 -8.035 -10.168 1.00 0.00 O ATOM 329 CB SER A 21 -18.383 -10.160 -12.122 1.00 0.00 C ATOM 330 OG SER A 21 -18.447 -10.691 -13.437 1.00 0.00 O ATOM 0 H SER A 21 -16.154 -9.503 -12.947 1.00 0.00 H new ATOM 0 HA SER A 21 -18.641 -8.097 -12.668 1.00 0.00 H new ATOM 0 HB2 SER A 21 -17.703 -10.760 -11.517 1.00 0.00 H new ATOM 0 HB3 SER A 21 -19.365 -10.222 -11.654 1.00 0.00 H new ATOM 0 HG SER A 21 -18.750 -11.622 -13.399 1.00 0.00 H new ATOM 336 N ALA A 22 -18.943 -7.878 -10.097 1.00 0.00 N ATOM 337 CA ALA A 22 -18.987 -7.338 -8.743 1.00 0.00 C ATOM 338 C ALA A 22 -18.371 -8.307 -7.744 1.00 0.00 C ATOM 339 O ALA A 22 -17.547 -7.918 -6.919 1.00 0.00 O ATOM 340 CB ALA A 22 -20.420 -7.017 -8.349 1.00 0.00 C ATOM 0 H ALA A 22 -19.860 -8.007 -10.525 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.401 -6.419 -8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.437 -6.615 -7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -20.831 -6.280 -9.039 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.021 -7.926 -8.389 1.00 0.00 H new ATOM 346 N LEU A 23 -18.770 -9.573 -7.834 1.00 0.00 N ATOM 347 CA LEU A 23 -18.255 -10.608 -6.938 1.00 0.00 C ATOM 348 C LEU A 23 -16.739 -10.705 -7.029 1.00 0.00 C ATOM 349 O LEU A 23 -16.060 -10.897 -6.020 1.00 0.00 O ATOM 350 CB LEU A 23 -18.880 -11.963 -7.272 1.00 0.00 C ATOM 351 CG LEU A 23 -20.390 -12.059 -7.052 1.00 0.00 C ATOM 352 CD1 LEU A 23 -20.908 -13.411 -7.516 1.00 0.00 C ATOM 353 CD2 LEU A 23 -20.729 -11.835 -5.586 1.00 0.00 C ATOM 0 H LEU A 23 -19.448 -9.908 -8.518 1.00 0.00 H new ATOM 0 HA LEU A 23 -18.524 -10.331 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -18.666 -12.196 -8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -18.392 -12.728 -6.668 1.00 0.00 H new ATOM 0 HG LEU A 23 -20.876 -11.281 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -21.984 -13.464 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -20.695 -13.537 -8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -20.416 -14.203 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -21.808 -11.907 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.234 -12.592 -4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.389 -10.845 -5.281 1.00 0.00 H new ATOM 365 N GLU A 24 -16.223 -10.563 -8.244 1.00 0.00 N ATOM 366 CA GLU A 24 -14.790 -10.600 -8.487 1.00 0.00 C ATOM 367 C GLU A 24 -14.103 -9.459 -7.743 1.00 0.00 C ATOM 368 O GLU A 24 -13.176 -9.680 -6.964 1.00 0.00 O ATOM 369 CB GLU A 24 -14.523 -10.487 -9.991 1.00 0.00 C ATOM 370 CG GLU A 24 -13.078 -10.738 -10.391 1.00 0.00 C ATOM 371 CD GLU A 24 -12.660 -12.180 -10.193 1.00 0.00 C ATOM 372 OE1 GLU A 24 -13.168 -13.059 -10.921 1.00 0.00 O ATOM 373 OE2 GLU A 24 -11.821 -12.446 -9.309 1.00 0.00 O ATOM 0 H GLU A 24 -16.785 -10.420 -9.083 1.00 0.00 H new ATOM 0 HA GLU A 24 -14.387 -11.545 -8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.162 -11.198 -10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.812 -9.491 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.942 -10.465 -11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.425 -10.091 -9.805 1.00 0.00 H new ATOM 380 N LYS A 25 -14.591 -8.241 -7.971 1.00 0.00 N ATOM 381 CA LYS A 25 -14.022 -7.050 -7.348 1.00 0.00 C ATOM 382 C LYS A 25 -14.124 -7.118 -5.829 1.00 0.00 C ATOM 383 O LYS A 25 -13.180 -6.766 -5.124 1.00 0.00 O ATOM 384 CB LYS A 25 -14.724 -5.790 -7.856 1.00 0.00 C ATOM 385 CG LYS A 25 -14.545 -5.545 -9.343 1.00 0.00 C ATOM 386 CD LYS A 25 -15.179 -4.229 -9.761 1.00 0.00 C ATOM 387 CE LYS A 25 -14.984 -3.962 -11.244 1.00 0.00 C ATOM 388 NZ LYS A 25 -15.480 -2.616 -11.640 1.00 0.00 N ATOM 0 H LYS A 25 -15.383 -8.054 -8.586 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.968 -7.008 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.789 -5.865 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.345 -4.928 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.483 -5.534 -9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.994 -6.363 -9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.244 -4.248 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.743 -3.414 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.926 -4.045 -11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.507 -4.725 -11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.327 -2.476 -12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.496 -2.544 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.964 -1.886 -11.109 1.00 0.00 H new ATOM 402 N ASN A 26 -15.272 -7.574 -5.337 1.00 0.00 N ATOM 403 CA ASN A 26 -15.503 -7.715 -3.899 1.00 0.00 C ATOM 404 C ASN A 26 -14.423 -8.571 -3.247 1.00 0.00 C ATOM 405 O ASN A 26 -13.921 -8.238 -2.172 1.00 0.00 O ATOM 406 CB ASN A 26 -16.880 -8.329 -3.636 1.00 0.00 C ATOM 407 CG ASN A 26 -18.006 -7.314 -3.688 1.00 0.00 C ATOM 408 OD1 ASN A 26 -17.905 -6.283 -4.354 1.00 0.00 O ATOM 409 ND2 ASN A 26 -19.089 -7.596 -2.978 1.00 0.00 N ATOM 0 H ASN A 26 -16.063 -7.855 -5.916 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.465 -6.719 -3.458 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -17.069 -9.110 -4.372 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.876 -8.808 -2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -19.877 -6.948 -2.971 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -19.135 -8.461 -2.439 1.00 0.00 H new ATOM 416 N ALA A 27 -14.062 -9.664 -3.907 1.00 0.00 N ATOM 417 CA ALA A 27 -13.023 -10.552 -3.400 1.00 0.00 C ATOM 418 C ALA A 27 -11.664 -9.865 -3.433 1.00 0.00 C ATOM 419 O ALA A 27 -10.875 -9.975 -2.493 1.00 0.00 O ATOM 420 CB ALA A 27 -12.988 -11.843 -4.204 1.00 0.00 C ATOM 0 H ALA A 27 -14.473 -9.957 -4.794 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.257 -10.796 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.207 -12.494 -3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.952 -12.346 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.780 -11.615 -5.249 1.00 0.00 H new ATOM 426 N VAL A 28 -11.406 -9.146 -4.517 1.00 0.00 N ATOM 427 CA VAL A 28 -10.149 -8.427 -4.691 1.00 0.00 C ATOM 428 C VAL A 28 -9.967 -7.371 -3.597 1.00 0.00 C ATOM 429 O VAL A 28 -8.881 -7.234 -3.031 1.00 0.00 O ATOM 430 CB VAL A 28 -10.082 -7.751 -6.080 1.00 0.00 C ATOM 431 CG1 VAL A 28 -8.795 -6.960 -6.237 1.00 0.00 C ATOM 432 CG2 VAL A 28 -10.199 -8.788 -7.188 1.00 0.00 C ATOM 0 H VAL A 28 -12.056 -9.044 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.343 -9.157 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.922 -7.061 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.772 -6.494 -7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.747 -6.188 -5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.941 -7.630 -6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.150 -8.292 -8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.381 -9.504 -7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.150 -9.312 -7.097 1.00 0.00 H new ATOM 442 N ILE A 29 -11.038 -6.644 -3.295 1.00 0.00 N ATOM 443 CA ILE A 29 -10.998 -5.610 -2.265 1.00 0.00 C ATOM 444 C ILE A 29 -10.708 -6.217 -0.891 1.00 0.00 C ATOM 445 O ILE A 29 -9.866 -5.716 -0.143 1.00 0.00 O ATOM 446 CB ILE A 29 -12.324 -4.817 -2.207 1.00 0.00 C ATOM 447 CG1 ILE A 29 -12.589 -4.121 -3.547 1.00 0.00 C ATOM 448 CG2 ILE A 29 -12.283 -3.797 -1.080 1.00 0.00 C ATOM 449 CD1 ILE A 29 -13.913 -3.387 -3.607 1.00 0.00 C ATOM 0 H ILE A 29 -11.945 -6.751 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.193 -4.925 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.137 -5.516 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.783 -3.413 -3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.561 -4.865 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.224 -3.247 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.135 -4.310 -0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.461 -3.101 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.027 -2.921 -4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.728 -4.092 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.938 -2.618 -2.834 1.00 0.00 H new ATOM 461 N LYS A 30 -11.398 -7.306 -0.571 1.00 0.00 N ATOM 462 CA LYS A 30 -11.211 -7.973 0.713 1.00 0.00 C ATOM 463 C LYS A 30 -9.814 -8.570 0.824 1.00 0.00 C ATOM 464 O LYS A 30 -9.226 -8.594 1.907 1.00 0.00 O ATOM 465 CB LYS A 30 -12.269 -9.057 0.923 1.00 0.00 C ATOM 466 CG LYS A 30 -13.401 -8.632 1.846 1.00 0.00 C ATOM 467 CD LYS A 30 -14.203 -7.470 1.283 1.00 0.00 C ATOM 468 CE LYS A 30 -15.247 -6.997 2.282 1.00 0.00 C ATOM 469 NZ LYS A 30 -16.146 -5.959 1.715 1.00 0.00 N ATOM 0 H LYS A 30 -12.089 -7.745 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.324 -7.222 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.686 -9.338 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.790 -9.946 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.065 -9.480 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.989 -8.350 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.533 -6.647 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.691 -7.775 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.842 -7.849 2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.747 -6.598 3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.997 -5.876 2.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.650 -5.045 1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.421 -6.228 0.749 1.00 0.00 H new ATOM 483 N ALA A 31 -9.286 -9.045 -0.299 1.00 0.00 N ATOM 484 CA ALA A 31 -7.931 -9.584 -0.340 1.00 0.00 C ATOM 485 C ALA A 31 -6.912 -8.495 -0.020 1.00 0.00 C ATOM 486 O ALA A 31 -5.914 -8.744 0.659 1.00 0.00 O ATOM 487 CB ALA A 31 -7.643 -10.198 -1.703 1.00 0.00 C ATOM 0 H ALA A 31 -9.776 -9.068 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.849 -10.365 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.628 -10.595 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.351 -11.004 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.744 -9.435 -2.475 1.00 0.00 H new ATOM 493 N ALA A 32 -7.184 -7.282 -0.499 1.00 0.00 N ATOM 494 CA ALA A 32 -6.317 -6.137 -0.240 1.00 0.00 C ATOM 495 C ALA A 32 -6.187 -5.887 1.259 1.00 0.00 C ATOM 496 O ALA A 32 -5.083 -5.877 1.799 1.00 0.00 O ATOM 497 CB ALA A 32 -6.845 -4.896 -0.947 1.00 0.00 C ATOM 0 H ALA A 32 -8.001 -7.068 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.326 -6.362 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.186 -4.052 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.880 -5.077 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.848 -4.669 -0.584 1.00 0.00 H new ATOM 503 N TYR A 33 -7.321 -5.714 1.932 1.00 0.00 N ATOM 504 CA TYR A 33 -7.327 -5.492 3.378 1.00 0.00 C ATOM 505 C TYR A 33 -6.657 -6.647 4.116 1.00 0.00 C ATOM 506 O TYR A 33 -6.021 -6.455 5.153 1.00 0.00 O ATOM 507 CB TYR A 33 -8.759 -5.333 3.898 1.00 0.00 C ATOM 508 CG TYR A 33 -9.411 -4.016 3.543 1.00 0.00 C ATOM 509 CD1 TYR A 33 -9.257 -2.906 4.362 1.00 0.00 C ATOM 510 CD2 TYR A 33 -10.190 -3.885 2.401 1.00 0.00 C ATOM 511 CE1 TYR A 33 -9.857 -1.700 4.054 1.00 0.00 C ATOM 512 CE2 TYR A 33 -10.794 -2.682 2.084 1.00 0.00 C ATOM 513 CZ TYR A 33 -10.624 -1.593 2.914 1.00 0.00 C ATOM 514 OH TYR A 33 -11.222 -0.393 2.604 1.00 0.00 O ATOM 0 H TYR A 33 -8.246 -5.723 1.502 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.767 -4.576 3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.369 -6.145 3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.752 -5.440 4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.657 -2.986 5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.326 -4.736 1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.726 -0.847 4.703 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.396 -2.595 1.191 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.726 -0.485 1.769 1.00 0.00 H new ATOM 524 N ARG A 34 -6.785 -7.840 3.559 1.00 0.00 N ATOM 525 CA ARG A 34 -6.325 -9.051 4.222 1.00 0.00 C ATOM 526 C ARG A 34 -4.802 -9.167 4.206 1.00 0.00 C ATOM 527 O ARG A 34 -4.218 -9.756 5.112 1.00 0.00 O ATOM 528 CB ARG A 34 -6.957 -10.275 3.559 1.00 0.00 C ATOM 529 CG ARG A 34 -6.782 -11.564 4.344 1.00 0.00 C ATOM 530 CD ARG A 34 -7.582 -12.694 3.719 1.00 0.00 C ATOM 531 NE ARG A 34 -9.006 -12.371 3.637 1.00 0.00 N ATOM 532 CZ ARG A 34 -9.819 -12.824 2.685 1.00 0.00 C ATOM 533 NH1 ARG A 34 -9.354 -13.631 1.737 1.00 0.00 N ATOM 534 NH2 ARG A 34 -11.100 -12.478 2.689 1.00 0.00 N ATOM 0 H ARG A 34 -7.206 -7.997 2.643 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.635 -8.999 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.022 -10.090 3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.522 -10.404 2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.727 -11.835 4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.103 -11.413 5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.198 -12.902 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.449 -13.602 4.307 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.401 -11.761 4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.372 -13.905 1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.980 -13.976 1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.461 -11.866 3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.724 -12.824 1.960 1.00 0.00 H new ATOM 548 N GLN A 35 -4.157 -8.611 3.189 1.00 0.00 N ATOM 549 CA GLN A 35 -2.705 -8.724 3.079 1.00 0.00 C ATOM 550 C GLN A 35 -2.004 -7.417 3.437 1.00 0.00 C ATOM 551 O GLN A 35 -0.885 -7.430 3.948 1.00 0.00 O ATOM 552 CB GLN A 35 -2.304 -9.186 1.678 1.00 0.00 C ATOM 553 CG GLN A 35 -2.852 -10.560 1.327 1.00 0.00 C ATOM 554 CD GLN A 35 -2.221 -11.150 0.083 1.00 0.00 C ATOM 555 OE1 GLN A 35 -1.057 -10.896 -0.218 1.00 0.00 O ATOM 556 NE2 GLN A 35 -2.981 -11.953 -0.646 1.00 0.00 N ATOM 0 H GLN A 35 -4.605 -8.085 2.439 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.381 -9.475 3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.660 -8.461 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.217 -9.205 1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.687 -11.236 2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.930 -10.489 1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.943 -12.140 -0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.604 -12.385 -1.490 1.00 0.00 H new ATOM 565 N ILE A 36 -2.663 -6.290 3.191 1.00 0.00 N ATOM 566 CA ILE A 36 -2.083 -4.993 3.534 1.00 0.00 C ATOM 567 C ILE A 36 -1.986 -4.832 5.049 1.00 0.00 C ATOM 568 O ILE A 36 -0.990 -4.328 5.567 1.00 0.00 O ATOM 569 CB ILE A 36 -2.892 -3.819 2.927 1.00 0.00 C ATOM 570 CG1 ILE A 36 -2.808 -3.855 1.395 1.00 0.00 C ATOM 571 CG2 ILE A 36 -2.394 -2.477 3.457 1.00 0.00 C ATOM 572 CD1 ILE A 36 -1.395 -3.770 0.860 1.00 0.00 C ATOM 0 H ILE A 36 -3.587 -6.245 2.761 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.081 -4.965 3.105 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.934 -3.932 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.268 -4.776 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.391 -3.029 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.979 -1.671 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.502 -2.451 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.344 -2.349 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.416 -3.801 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.937 -2.836 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.812 -4.611 1.236 1.00 0.00 H new ATOM 584 N PHE A 37 -3.015 -5.274 5.756 1.00 0.00 N ATOM 585 CA PHE A 37 -3.022 -5.199 7.210 1.00 0.00 C ATOM 586 C PHE A 37 -2.714 -6.564 7.817 1.00 0.00 C ATOM 587 O PHE A 37 -2.489 -6.682 9.021 1.00 0.00 O ATOM 588 CB PHE A 37 -4.376 -4.691 7.708 1.00 0.00 C ATOM 589 CG PHE A 37 -4.711 -3.304 7.227 1.00 0.00 C ATOM 590 CD1 PHE A 37 -4.197 -2.190 7.871 1.00 0.00 C ATOM 591 CD2 PHE A 37 -5.541 -3.115 6.132 1.00 0.00 C ATOM 592 CE1 PHE A 37 -4.503 -0.915 7.433 1.00 0.00 C ATOM 593 CE2 PHE A 37 -5.849 -1.842 5.689 1.00 0.00 C ATOM 594 CZ PHE A 37 -5.329 -0.741 6.340 1.00 0.00 C ATOM 0 H PHE A 37 -3.854 -5.687 5.349 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.248 -4.498 7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.156 -5.379 7.381 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.380 -4.700 8.798 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.549 -2.319 8.726 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.952 -3.972 5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.096 -0.056 7.945 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.496 -1.709 4.834 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.568 0.254 5.995 1.00 0.00 H new ATOM 604 N GLU A 38 -2.718 -7.589 6.961 1.00 0.00 N ATOM 605 CA GLU A 38 -2.442 -8.974 7.364 1.00 0.00 C ATOM 606 C GLU A 38 -3.496 -9.521 8.321 1.00 0.00 C ATOM 607 O GLU A 38 -3.337 -10.616 8.869 1.00 0.00 O ATOM 608 CB GLU A 38 -1.055 -9.108 7.992 1.00 0.00 C ATOM 609 CG GLU A 38 0.079 -9.010 6.987 1.00 0.00 C ATOM 610 CD GLU A 38 1.422 -9.346 7.598 1.00 0.00 C ATOM 611 OE1 GLU A 38 1.691 -10.544 7.831 1.00 0.00 O ATOM 612 OE2 GLU A 38 2.223 -8.417 7.830 1.00 0.00 O ATOM 0 H GLU A 38 -2.913 -7.483 5.965 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.476 -9.568 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.930 -8.330 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.990 -10.066 8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.118 -9.686 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.112 -8.000 6.577 1.00 0.00 H new ATOM 720 N TYR A 45 -15.405 -0.008 13.235 1.00 0.00 N ATOM 721 CA TYR A 45 -15.073 0.880 12.138 1.00 0.00 C ATOM 722 C TYR A 45 -15.764 0.396 10.873 1.00 0.00 C ATOM 723 O TYR A 45 -15.687 -0.784 10.537 1.00 0.00 O ATOM 724 CB TYR A 45 -13.558 0.927 11.922 1.00 0.00 C ATOM 725 CG TYR A 45 -12.772 1.242 13.178 1.00 0.00 C ATOM 726 CD1 TYR A 45 -12.848 2.495 13.773 1.00 0.00 C ATOM 727 CD2 TYR A 45 -11.961 0.280 13.774 1.00 0.00 C ATOM 728 CE1 TYR A 45 -12.140 2.782 14.923 1.00 0.00 C ATOM 729 CE2 TYR A 45 -11.253 0.561 14.925 1.00 0.00 C ATOM 730 CZ TYR A 45 -11.344 1.812 15.495 1.00 0.00 C ATOM 731 OH TYR A 45 -10.643 2.093 16.646 1.00 0.00 O ATOM 0 HA TYR A 45 -15.415 1.886 12.380 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.226 -0.034 11.528 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -13.331 1.677 11.165 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.471 3.257 13.329 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.885 -0.701 13.329 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.209 3.762 15.373 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.630 -0.197 15.377 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.132 1.302 16.919 1.00 0.00 H new ATOM 741 N SER A 46 -16.447 1.295 10.186 1.00 0.00 N ATOM 742 CA SER A 46 -17.158 0.928 8.974 1.00 0.00 C ATOM 743 C SER A 46 -17.248 2.100 7.997 1.00 0.00 C ATOM 744 O SER A 46 -17.165 1.911 6.784 1.00 0.00 O ATOM 745 CB SER A 46 -18.556 0.423 9.331 1.00 0.00 C ATOM 746 OG SER A 46 -19.230 1.348 10.171 1.00 0.00 O ATOM 0 H SER A 46 -16.524 2.279 10.445 1.00 0.00 H new ATOM 0 HA SER A 46 -16.600 0.133 8.479 1.00 0.00 H new ATOM 0 HB2 SER A 46 -19.134 0.265 8.420 1.00 0.00 H new ATOM 0 HB3 SER A 46 -18.481 -0.542 9.832 1.00 0.00 H new ATOM 0 HG SER A 46 -20.123 1.005 10.385 1.00 0.00 H new ATOM 752 N GLN A 47 -17.389 3.309 8.534 1.00 0.00 N ATOM 753 CA GLN A 47 -17.593 4.502 7.716 1.00 0.00 C ATOM 754 C GLN A 47 -16.422 4.748 6.770 1.00 0.00 C ATOM 755 O GLN A 47 -16.573 4.643 5.554 1.00 0.00 O ATOM 756 CB GLN A 47 -17.816 5.728 8.607 1.00 0.00 C ATOM 757 CG GLN A 47 -19.083 5.643 9.445 1.00 0.00 C ATOM 758 CD GLN A 47 -20.338 5.566 8.595 1.00 0.00 C ATOM 759 OE1 GLN A 47 -20.330 6.233 7.451 1.00 0.00 O flip ATOM 760 NE2 GLN A 47 -21.316 4.925 8.976 1.00 0.00 N flip ATOM 0 H GLN A 47 -17.366 3.489 9.538 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.482 4.333 7.108 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -16.959 5.848 9.269 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -17.862 6.619 7.981 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -19.030 4.766 10.090 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -19.143 6.514 10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -21.283 4.424 9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -22.160 4.894 8.404 1.00 0.00 H new ATOM 769 N SER A 48 -15.260 5.063 7.327 1.00 0.00 N ATOM 770 CA SER A 48 -14.083 5.377 6.523 1.00 0.00 C ATOM 771 C SER A 48 -13.677 4.191 5.648 1.00 0.00 C ATOM 772 O SER A 48 -13.148 4.367 4.550 1.00 0.00 O ATOM 773 CB SER A 48 -12.926 5.781 7.436 1.00 0.00 C ATOM 774 OG SER A 48 -13.337 6.777 8.358 1.00 0.00 O ATOM 0 H SER A 48 -15.106 5.108 8.334 1.00 0.00 H new ATOM 0 HA SER A 48 -14.331 6.209 5.864 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.561 4.907 7.976 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.096 6.155 6.836 1.00 0.00 H new ATOM 0 HG SER A 48 -12.583 7.021 8.934 1.00 0.00 H new ATOM 780 N ILE A 49 -13.952 2.986 6.134 1.00 0.00 N ATOM 781 CA ILE A 49 -13.606 1.772 5.413 1.00 0.00 C ATOM 782 C ILE A 49 -14.463 1.625 4.160 1.00 0.00 C ATOM 783 O ILE A 49 -13.945 1.548 3.047 1.00 0.00 O ATOM 784 CB ILE A 49 -13.785 0.526 6.296 1.00 0.00 C ATOM 785 CG1 ILE A 49 -13.059 0.713 7.629 1.00 0.00 C ATOM 786 CG2 ILE A 49 -13.268 -0.714 5.579 1.00 0.00 C ATOM 787 CD1 ILE A 49 -13.196 -0.468 8.559 1.00 0.00 C ATOM 0 H ILE A 49 -14.416 2.826 7.028 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.557 1.854 5.128 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.848 0.391 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.001 0.893 7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.448 1.603 8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.402 -1.587 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -13.822 -0.855 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.209 -0.589 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.657 -0.267 9.485 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.250 -0.635 8.782 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.781 -1.356 8.083 1.00 0.00 H new ATOM 799 N SER A 50 -15.780 1.614 4.344 1.00 0.00 N ATOM 800 CA SER A 50 -16.701 1.449 3.229 1.00 0.00 C ATOM 801 C SER A 50 -16.650 2.663 2.307 1.00 0.00 C ATOM 802 O SER A 50 -17.019 2.576 1.137 1.00 0.00 O ATOM 803 CB SER A 50 -18.128 1.231 3.740 1.00 0.00 C ATOM 804 OG SER A 50 -19.012 0.924 2.672 1.00 0.00 O ATOM 0 H SER A 50 -16.231 1.717 5.253 1.00 0.00 H new ATOM 0 HA SER A 50 -16.396 0.570 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.137 0.420 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.474 2.127 4.256 1.00 0.00 H new ATOM 0 HG SER A 50 -19.916 0.788 3.025 1.00 0.00 H new ATOM 810 N TYR A 51 -16.198 3.790 2.844 1.00 0.00 N ATOM 811 CA TYR A 51 -16.018 4.997 2.056 1.00 0.00 C ATOM 812 C TYR A 51 -14.970 4.753 0.973 1.00 0.00 C ATOM 813 O TYR A 51 -15.236 4.928 -0.217 1.00 0.00 O ATOM 814 CB TYR A 51 -15.590 6.154 2.963 1.00 0.00 C ATOM 815 CG TYR A 51 -15.659 7.514 2.309 1.00 0.00 C ATOM 816 CD1 TYR A 51 -16.855 8.214 2.264 1.00 0.00 C ATOM 817 CD2 TYR A 51 -14.534 8.097 1.744 1.00 0.00 C ATOM 818 CE1 TYR A 51 -16.929 9.459 1.676 1.00 0.00 C ATOM 819 CE2 TYR A 51 -14.600 9.344 1.152 1.00 0.00 C ATOM 820 CZ TYR A 51 -15.801 10.019 1.119 1.00 0.00 C ATOM 821 OH TYR A 51 -15.874 11.265 0.535 1.00 0.00 O ATOM 0 H TYR A 51 -15.949 3.890 3.828 1.00 0.00 H new ATOM 0 HA TYR A 51 -16.962 5.261 1.579 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -16.223 6.158 3.851 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -14.569 5.977 3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.743 7.777 2.696 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -13.593 7.568 1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -17.868 9.993 1.652 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -13.716 9.787 0.718 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.992 11.517 0.191 1.00 0.00 H new ATOM 831 N LEU A 52 -13.793 4.312 1.393 1.00 0.00 N ATOM 832 CA LEU A 52 -12.715 4.014 0.462 1.00 0.00 C ATOM 833 C LEU A 52 -13.090 2.835 -0.434 1.00 0.00 C ATOM 834 O LEU A 52 -12.781 2.826 -1.628 1.00 0.00 O ATOM 835 CB LEU A 52 -11.426 3.708 1.226 1.00 0.00 C ATOM 836 CG LEU A 52 -10.934 4.831 2.145 1.00 0.00 C ATOM 837 CD1 LEU A 52 -9.692 4.395 2.903 1.00 0.00 C ATOM 838 CD2 LEU A 52 -10.653 6.094 1.345 1.00 0.00 C ATOM 0 H LEU A 52 -13.560 4.153 2.373 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.552 4.888 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.581 2.811 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.641 3.478 0.506 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.720 5.050 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.357 5.206 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.924 3.519 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.902 4.147 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.305 6.880 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.886 5.888 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.566 6.420 0.847 1.00 0.00 H new ATOM 850 N GLU A 53 -13.772 1.853 0.152 1.00 0.00 N ATOM 851 CA GLU A 53 -14.234 0.684 -0.587 1.00 0.00 C ATOM 852 C GLU A 53 -15.175 1.094 -1.721 1.00 0.00 C ATOM 853 O GLU A 53 -15.050 0.609 -2.845 1.00 0.00 O ATOM 854 CB GLU A 53 -14.947 -0.299 0.349 1.00 0.00 C ATOM 855 CG GLU A 53 -15.415 -1.570 -0.346 1.00 0.00 C ATOM 856 CD GLU A 53 -16.247 -2.464 0.550 1.00 0.00 C ATOM 857 OE1 GLU A 53 -17.488 -2.296 0.577 1.00 0.00 O ATOM 858 OE2 GLU A 53 -15.675 -3.351 1.220 1.00 0.00 O ATOM 0 H GLU A 53 -14.017 1.846 1.142 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.361 0.194 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.273 -0.567 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.807 0.198 0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.000 -1.302 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.546 -2.126 -0.698 1.00 0.00 H new ATOM 865 N SER A 54 -16.108 1.996 -1.430 1.00 0.00 N ATOM 866 CA SER A 54 -17.069 2.432 -2.432 1.00 0.00 C ATOM 867 C SER A 54 -16.380 3.200 -3.557 1.00 0.00 C ATOM 868 O SER A 54 -16.810 3.132 -4.707 1.00 0.00 O ATOM 869 CB SER A 54 -18.190 3.272 -1.802 1.00 0.00 C ATOM 870 OG SER A 54 -17.691 4.421 -1.139 1.00 0.00 O ATOM 0 H SER A 54 -16.217 2.435 -0.516 1.00 0.00 H new ATOM 0 HA SER A 54 -17.523 1.539 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.892 3.579 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.746 2.659 -1.093 1.00 0.00 H new ATOM 0 HG SER A 54 -16.723 4.332 -1.015 1.00 0.00 H new ATOM 876 N GLN A 55 -15.298 3.910 -3.232 1.00 0.00 N ATOM 877 CA GLN A 55 -14.544 4.640 -4.247 1.00 0.00 C ATOM 878 C GLN A 55 -13.933 3.675 -5.256 1.00 0.00 C ATOM 879 O GLN A 55 -14.136 3.810 -6.464 1.00 0.00 O ATOM 880 CB GLN A 55 -13.428 5.485 -3.626 1.00 0.00 C ATOM 881 CG GLN A 55 -13.908 6.560 -2.662 1.00 0.00 C ATOM 882 CD GLN A 55 -12.786 7.483 -2.207 1.00 0.00 C ATOM 883 OE1 GLN A 55 -11.838 7.764 -3.093 1.00 0.00 O flip ATOM 884 NE2 GLN A 55 -12.786 7.969 -1.077 1.00 0.00 N flip ATOM 0 H GLN A 55 -14.929 3.994 -2.285 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.246 5.306 -4.749 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.740 4.824 -3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.862 5.960 -4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -14.688 7.151 -3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.359 6.086 -1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.530 7.732 -0.420 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.043 8.609 -0.797 1.00 0.00 H new ATOM 893 N VAL A 56 -13.199 2.689 -4.754 1.00 0.00 N ATOM 894 CA VAL A 56 -12.499 1.751 -5.620 1.00 0.00 C ATOM 895 C VAL A 56 -13.493 0.846 -6.358 1.00 0.00 C ATOM 896 O VAL A 56 -13.300 0.528 -7.530 1.00 0.00 O ATOM 897 CB VAL A 56 -11.456 0.912 -4.835 1.00 0.00 C ATOM 898 CG1 VAL A 56 -12.123 -0.033 -3.845 1.00 0.00 C ATOM 899 CG2 VAL A 56 -10.547 0.151 -5.789 1.00 0.00 C ATOM 0 H VAL A 56 -13.074 2.519 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.952 2.333 -6.361 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.843 1.605 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.360 -0.603 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.708 0.544 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.780 -0.718 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.824 -0.430 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.146 -0.520 -6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.019 0.857 -6.430 1.00 0.00 H new ATOM 909 N ARG A 57 -14.577 0.466 -5.684 1.00 0.00 N ATOM 910 CA ARG A 57 -15.624 -0.335 -6.314 1.00 0.00 C ATOM 911 C ARG A 57 -16.286 0.441 -7.450 1.00 0.00 C ATOM 912 O ARG A 57 -16.559 -0.108 -8.517 1.00 0.00 O ATOM 913 CB ARG A 57 -16.676 -0.759 -5.283 1.00 0.00 C ATOM 914 CG ARG A 57 -17.907 -1.410 -5.895 1.00 0.00 C ATOM 915 CD ARG A 57 -18.886 -1.871 -4.826 1.00 0.00 C ATOM 916 NE ARG A 57 -18.436 -3.092 -4.158 1.00 0.00 N ATOM 917 CZ ARG A 57 -18.278 -3.209 -2.841 1.00 0.00 C ATOM 918 NH1 ARG A 57 -18.525 -2.183 -2.035 1.00 0.00 N ATOM 919 NH2 ARG A 57 -17.886 -4.368 -2.335 1.00 0.00 N ATOM 0 H ARG A 57 -14.753 0.699 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 57 -15.161 -1.231 -6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.221 -1.455 -4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.985 0.116 -4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -18.401 -0.702 -6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -17.604 -2.262 -6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -19.014 -1.080 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -19.862 -2.045 -5.279 1.00 0.00 H new ATOM 0 HE ARG A 57 -18.230 -3.906 -4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.839 -1.294 -2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.400 -2.284 -1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.708 -5.160 -2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.762 -4.469 -1.328 1.00 0.00 H new ATOM 933 N ASN A 58 -16.524 1.723 -7.215 1.00 0.00 N ATOM 934 CA ASN A 58 -17.137 2.591 -8.214 1.00 0.00 C ATOM 935 C ASN A 58 -16.197 2.789 -9.400 1.00 0.00 C ATOM 936 O ASN A 58 -16.635 2.884 -10.549 1.00 0.00 O ATOM 937 CB ASN A 58 -17.481 3.944 -7.579 1.00 0.00 C ATOM 938 CG ASN A 58 -18.073 4.938 -8.561 1.00 0.00 C ATOM 939 OD1 ASN A 58 -18.765 4.564 -9.512 1.00 0.00 O ATOM 940 ND2 ASN A 58 -17.812 6.215 -8.329 1.00 0.00 N ATOM 0 H ASN A 58 -16.301 2.189 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.051 2.122 -8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.187 3.785 -6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.579 4.371 -7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -18.188 6.933 -8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.235 6.481 -7.531 1.00 0.00 H new ATOM 947 N GLY A 59 -14.901 2.812 -9.117 1.00 0.00 N ATOM 948 CA GLY A 59 -13.920 3.062 -10.152 1.00 0.00 C ATOM 949 C GLY A 59 -13.333 4.451 -10.041 1.00 0.00 C ATOM 950 O GLY A 59 -12.692 4.940 -10.971 1.00 0.00 O ATOM 0 H GLY A 59 -14.512 2.661 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.122 2.323 -10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.384 2.940 -11.131 1.00 0.00 H new ATOM 954 N ASP A 60 -13.559 5.084 -8.896 1.00 0.00 N ATOM 955 CA ASP A 60 -13.036 6.421 -8.631 1.00 0.00 C ATOM 956 C ASP A 60 -11.515 6.387 -8.553 1.00 0.00 C ATOM 957 O ASP A 60 -10.831 7.272 -9.071 1.00 0.00 O ATOM 958 CB ASP A 60 -13.627 6.966 -7.323 1.00 0.00 C ATOM 959 CG ASP A 60 -13.006 8.281 -6.882 1.00 0.00 C ATOM 960 OD1 ASP A 60 -13.315 9.334 -7.485 1.00 0.00 O ATOM 961 OD2 ASP A 60 -12.215 8.271 -5.916 1.00 0.00 O ATOM 0 H ASP A 60 -14.105 4.690 -8.130 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.325 7.082 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.701 7.104 -7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.490 6.226 -6.535 1.00 0.00 H new ATOM 966 N ILE A 61 -10.990 5.347 -7.921 1.00 0.00 N ATOM 967 CA ILE A 61 -9.551 5.173 -7.777 1.00 0.00 C ATOM 968 C ILE A 61 -9.160 3.734 -8.080 1.00 0.00 C ATOM 969 O ILE A 61 -9.980 2.824 -7.947 1.00 0.00 O ATOM 970 CB ILE A 61 -9.069 5.538 -6.356 1.00 0.00 C ATOM 971 CG1 ILE A 61 -9.831 4.721 -5.307 1.00 0.00 C ATOM 972 CG2 ILE A 61 -9.231 7.031 -6.106 1.00 0.00 C ATOM 973 CD1 ILE A 61 -9.373 4.971 -3.887 1.00 0.00 C ATOM 0 H ILE A 61 -11.545 4.604 -7.496 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.073 5.847 -8.488 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.010 5.294 -6.273 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.894 4.952 -5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.718 3.661 -5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.887 7.271 -5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.641 7.588 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.281 7.305 -6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.959 4.357 -3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.318 4.713 -3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.512 6.024 -3.640 1.00 0.00 H new ATOM 985 N SER A 62 -7.916 3.534 -8.495 1.00 0.00 N ATOM 986 CA SER A 62 -7.416 2.198 -8.774 1.00 0.00 C ATOM 987 C SER A 62 -6.689 1.657 -7.543 1.00 0.00 C ATOM 988 O SER A 62 -6.659 2.312 -6.498 1.00 0.00 O ATOM 989 CB SER A 62 -6.490 2.223 -9.998 1.00 0.00 C ATOM 990 OG SER A 62 -6.233 0.914 -10.482 1.00 0.00 O ATOM 0 H SER A 62 -7.237 4.280 -8.645 1.00 0.00 H new ATOM 0 HA SER A 62 -8.252 1.536 -9.001 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.945 2.821 -10.788 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.549 2.706 -9.734 1.00 0.00 H new ATOM 0 HG SER A 62 -5.642 0.964 -11.262 1.00 0.00 H new ATOM 996 N MET A 63 -6.091 0.478 -7.667 1.00 0.00 N ATOM 997 CA MET A 63 -5.496 -0.202 -6.518 1.00 0.00 C ATOM 998 C MET A 63 -4.261 0.517 -5.997 1.00 0.00 C ATOM 999 O MET A 63 -4.008 0.507 -4.796 1.00 0.00 O ATOM 1000 CB MET A 63 -5.170 -1.655 -6.850 1.00 0.00 C ATOM 1001 CG MET A 63 -6.391 -2.552 -6.809 1.00 0.00 C ATOM 1002 SD MET A 63 -7.209 -2.510 -5.200 1.00 0.00 S ATOM 1003 CE MET A 63 -8.679 -3.474 -5.542 1.00 0.00 C ATOM 0 H MET A 63 -6.004 -0.028 -8.549 1.00 0.00 H new ATOM 0 HA MET A 63 -6.241 -0.185 -5.722 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.721 -1.705 -7.842 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.427 -2.027 -6.144 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.095 -2.242 -7.581 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.096 -3.576 -7.039 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.907 -4.107 -4.684 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.518 -2.804 -5.732 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.509 -4.099 -6.419 1.00 0.00 H new ATOM 1013 N LYS A 64 -3.497 1.141 -6.888 1.00 0.00 N ATOM 1014 CA LYS A 64 -2.349 1.944 -6.469 1.00 0.00 C ATOM 1015 C LYS A 64 -2.793 2.987 -5.450 1.00 0.00 C ATOM 1016 O LYS A 64 -2.248 3.081 -4.348 1.00 0.00 O ATOM 1017 CB LYS A 64 -1.714 2.649 -7.671 1.00 0.00 C ATOM 1018 CG LYS A 64 -0.512 3.511 -7.309 1.00 0.00 C ATOM 1019 CD LYS A 64 -0.100 4.416 -8.459 1.00 0.00 C ATOM 1020 CE LYS A 64 1.068 5.309 -8.072 1.00 0.00 C ATOM 1021 NZ LYS A 64 1.368 6.326 -9.116 1.00 0.00 N ATOM 0 H LYS A 64 -3.648 1.108 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.611 1.280 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.406 1.899 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.466 3.273 -8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.750 4.118 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.325 2.870 -7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.175 3.809 -9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.947 5.032 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.843 5.812 -7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.952 4.695 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.747 7.184 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.071 5.944 -9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.496 6.561 -9.632 1.00 0.00 H new ATOM 1035 N GLU A 65 -3.806 3.749 -5.829 1.00 0.00 N ATOM 1036 CA GLU A 65 -4.345 4.795 -4.982 1.00 0.00 C ATOM 1037 C GLU A 65 -5.018 4.199 -3.746 1.00 0.00 C ATOM 1038 O GLU A 65 -4.874 4.719 -2.639 1.00 0.00 O ATOM 1039 CB GLU A 65 -5.335 5.639 -5.788 1.00 0.00 C ATOM 1040 CG GLU A 65 -5.955 6.779 -5.006 1.00 0.00 C ATOM 1041 CD GLU A 65 -4.924 7.625 -4.297 1.00 0.00 C ATOM 1042 OE1 GLU A 65 -4.017 8.160 -4.970 1.00 0.00 O ATOM 1043 OE2 GLU A 65 -5.024 7.767 -3.065 1.00 0.00 O ATOM 0 H GLU A 65 -4.275 3.659 -6.730 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.530 5.432 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.823 6.047 -6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.130 4.992 -6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.532 7.408 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.654 6.375 -4.274 1.00 0.00 H new ATOM 1050 N PHE A 66 -5.729 3.097 -3.938 1.00 0.00 N ATOM 1051 CA PHE A 66 -6.453 2.446 -2.853 1.00 0.00 C ATOM 1052 C PHE A 66 -5.502 1.974 -1.753 1.00 0.00 C ATOM 1053 O PHE A 66 -5.727 2.243 -0.570 1.00 0.00 O ATOM 1054 CB PHE A 66 -7.267 1.270 -3.402 1.00 0.00 C ATOM 1055 CG PHE A 66 -8.157 0.617 -2.384 1.00 0.00 C ATOM 1056 CD1 PHE A 66 -9.181 1.331 -1.780 1.00 0.00 C ATOM 1057 CD2 PHE A 66 -7.973 -0.709 -2.030 1.00 0.00 C ATOM 1058 CE1 PHE A 66 -10.003 0.734 -0.844 1.00 0.00 C ATOM 1059 CE2 PHE A 66 -8.794 -1.311 -1.096 1.00 0.00 C ATOM 1060 CZ PHE A 66 -9.809 -0.589 -0.502 1.00 0.00 C ATOM 0 H PHE A 66 -5.821 2.632 -4.841 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.132 3.174 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.879 1.621 -4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.582 0.523 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.338 2.366 -2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.179 -1.279 -2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -10.796 1.302 -0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.641 -2.347 -0.831 1.00 0.00 H new ATOM 0 HZ PHE A 66 -10.450 -1.058 0.229 1.00 0.00 H new ATOM 1070 N VAL A 67 -4.435 1.286 -2.144 1.00 0.00 N ATOM 1071 CA VAL A 67 -3.452 0.787 -1.188 1.00 0.00 C ATOM 1072 C VAL A 67 -2.763 1.940 -0.459 1.00 0.00 C ATOM 1073 O VAL A 67 -2.605 1.904 0.764 1.00 0.00 O ATOM 1074 CB VAL A 67 -2.390 -0.104 -1.877 1.00 0.00 C ATOM 1075 CG1 VAL A 67 -1.302 -0.517 -0.895 1.00 0.00 C ATOM 1076 CG2 VAL A 67 -3.043 -1.337 -2.486 1.00 0.00 C ATOM 0 H VAL A 67 -4.228 1.061 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.992 0.180 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.928 0.480 -2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.569 -1.142 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.809 0.373 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.747 -1.078 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.282 -1.952 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.534 -1.913 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.781 -1.029 -3.227 1.00 0.00 H new ATOM 1086 N ARG A 68 -2.378 2.969 -1.209 1.00 0.00 N ATOM 1087 CA ARG A 68 -1.726 4.135 -0.627 1.00 0.00 C ATOM 1088 C ARG A 68 -2.642 4.796 0.399 1.00 0.00 C ATOM 1089 O ARG A 68 -2.213 5.152 1.495 1.00 0.00 O ATOM 1090 CB ARG A 68 -1.367 5.148 -1.715 1.00 0.00 C ATOM 1091 CG ARG A 68 -0.526 6.309 -1.210 1.00 0.00 C ATOM 1092 CD ARG A 68 -0.553 7.483 -2.175 1.00 0.00 C ATOM 1093 NE ARG A 68 -1.903 8.030 -2.320 1.00 0.00 N ATOM 1094 CZ ARG A 68 -2.279 9.225 -1.860 1.00 0.00 C ATOM 1095 NH1 ARG A 68 -1.404 10.012 -1.242 1.00 0.00 N ATOM 1096 NH2 ARG A 68 -3.533 9.624 -2.014 1.00 0.00 N ATOM 0 H ARG A 68 -2.507 3.018 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.812 3.803 -0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.826 4.637 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.285 5.539 -2.154 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.896 6.630 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.503 5.978 -1.067 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.120 8.263 -1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.183 7.163 -3.149 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.600 7.462 -2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.440 9.704 -1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.697 10.924 -0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.207 9.019 -2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.824 10.537 -1.664 1.00 0.00 H new ATOM 1110 N ARG A 69 -3.909 4.935 0.028 1.00 0.00 N ATOM 1111 CA ARG A 69 -4.908 5.572 0.878 1.00 0.00 C ATOM 1112 C ARG A 69 -5.083 4.811 2.190 1.00 0.00 C ATOM 1113 O ARG A 69 -5.220 5.418 3.253 1.00 0.00 O ATOM 1114 CB ARG A 69 -6.238 5.645 0.132 1.00 0.00 C ATOM 1115 CG ARG A 69 -6.812 7.048 0.030 1.00 0.00 C ATOM 1116 CD ARG A 69 -7.936 7.095 -0.990 1.00 0.00 C ATOM 1117 NE ARG A 69 -8.578 8.407 -1.069 1.00 0.00 N ATOM 1118 CZ ARG A 69 -8.341 9.294 -2.034 1.00 0.00 C ATOM 1119 NH1 ARG A 69 -7.354 9.104 -2.892 1.00 0.00 N ATOM 1120 NH2 ARG A 69 -9.068 10.396 -2.116 1.00 0.00 N ATOM 0 H ARG A 69 -4.272 4.610 -0.868 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.567 6.579 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.102 5.245 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.961 5.003 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.184 7.366 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.026 7.748 -0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.541 6.830 -1.971 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.684 6.345 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.247 8.658 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.767 8.273 -2.818 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.179 9.788 -3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.812 10.568 -1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.885 11.074 -2.856 1.00 0.00 H new ATOM 1134 N LEU A 70 -5.066 3.484 2.112 1.00 0.00 N ATOM 1135 CA LEU A 70 -5.231 2.643 3.294 1.00 0.00 C ATOM 1136 C LEU A 70 -4.045 2.780 4.245 1.00 0.00 C ATOM 1137 O LEU A 70 -4.222 3.015 5.440 1.00 0.00 O ATOM 1138 CB LEU A 70 -5.401 1.172 2.896 1.00 0.00 C ATOM 1139 CG LEU A 70 -6.689 0.836 2.143 1.00 0.00 C ATOM 1140 CD1 LEU A 70 -6.743 -0.646 1.814 1.00 0.00 C ATOM 1141 CD2 LEU A 70 -7.905 1.245 2.958 1.00 0.00 C ATOM 0 H LEU A 70 -4.940 2.967 1.242 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.130 2.982 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.553 0.881 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.360 0.563 3.799 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.697 1.396 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.666 -0.866 1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.889 -0.912 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.712 -1.225 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.812 0.998 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.902 0.712 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.874 2.319 3.144 1.00 0.00 H new ATOM 1153 N ALA A 71 -2.840 2.654 3.708 1.00 0.00 N ATOM 1154 CA ALA A 71 -1.633 2.663 4.530 1.00 0.00 C ATOM 1155 C ALA A 71 -1.266 4.073 4.990 1.00 0.00 C ATOM 1156 O ALA A 71 -0.384 4.252 5.830 1.00 0.00 O ATOM 1157 CB ALA A 71 -0.478 2.038 3.767 1.00 0.00 C ATOM 0 H ALA A 71 -2.670 2.544 2.708 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.837 2.072 5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.417 2.050 4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.727 1.009 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.294 2.607 2.855 1.00 0.00 H new ATOM 1163 N LYS A 72 -1.942 5.073 4.438 1.00 0.00 N ATOM 1164 CA LYS A 72 -1.698 6.462 4.815 1.00 0.00 C ATOM 1165 C LYS A 72 -2.617 6.873 5.969 1.00 0.00 C ATOM 1166 O LYS A 72 -2.647 8.037 6.378 1.00 0.00 O ATOM 1167 CB LYS A 72 -1.934 7.383 3.612 1.00 0.00 C ATOM 1168 CG LYS A 72 -1.406 8.797 3.798 1.00 0.00 C ATOM 1169 CD LYS A 72 -2.181 9.797 2.958 1.00 0.00 C ATOM 1170 CE LYS A 72 -3.636 9.871 3.398 1.00 0.00 C ATOM 1171 NZ LYS A 72 -3.764 10.210 4.843 1.00 0.00 N ATOM 0 H LYS A 72 -2.664 4.949 3.728 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.662 6.555 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.462 6.943 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.004 7.430 3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.472 9.075 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.351 8.831 3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.722 10.782 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.130 9.511 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.158 10.620 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.122 8.915 3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.756 10.433 5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.457 9.400 5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.168 11.034 5.060 1.00 0.00 H new ATOM 1185 N SER A 73 -3.373 5.917 6.485 1.00 0.00 N ATOM 1186 CA SER A 73 -4.322 6.189 7.551 1.00 0.00 C ATOM 1187 C SER A 73 -3.616 6.323 8.900 1.00 0.00 C ATOM 1188 O SER A 73 -2.658 5.600 9.188 1.00 0.00 O ATOM 1189 CB SER A 73 -5.369 5.080 7.609 1.00 0.00 C ATOM 1190 OG SER A 73 -5.994 4.915 6.351 1.00 0.00 O ATOM 0 H SER A 73 -3.347 4.944 6.181 1.00 0.00 H new ATOM 0 HA SER A 73 -4.815 7.137 7.336 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.899 4.145 7.912 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.118 5.319 8.364 1.00 0.00 H new ATOM 0 HG SER A 73 -5.503 4.248 5.827 1.00 0.00 H new ATOM 1196 N PRO A 74 -4.094 7.251 9.750 1.00 0.00 N ATOM 1197 CA PRO A 74 -3.525 7.495 11.080 1.00 0.00 C ATOM 1198 C PRO A 74 -3.466 6.227 11.930 1.00 0.00 C ATOM 1199 O PRO A 74 -2.560 6.063 12.742 1.00 0.00 O ATOM 1200 CB PRO A 74 -4.480 8.519 11.713 1.00 0.00 C ATOM 1201 CG PRO A 74 -5.698 8.520 10.849 1.00 0.00 C ATOM 1202 CD PRO A 74 -5.229 8.146 9.474 1.00 0.00 C ATOM 0 HA PRO A 74 -2.495 7.845 11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.727 8.243 12.738 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.025 9.509 11.750 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.438 7.808 11.216 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.174 9.501 10.846 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.010 7.645 8.903 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.924 9.020 8.899 1.00 0.00 H new ATOM 1210 N LEU A 75 -4.424 5.329 11.724 1.00 0.00 N ATOM 1211 CA LEU A 75 -4.463 4.066 12.456 1.00 0.00 C ATOM 1212 C LEU A 75 -3.220 3.229 12.151 1.00 0.00 C ATOM 1213 O LEU A 75 -2.625 2.631 13.048 1.00 0.00 O ATOM 1214 CB LEU A 75 -5.726 3.282 12.087 1.00 0.00 C ATOM 1215 CG LEU A 75 -5.909 1.952 12.821 1.00 0.00 C ATOM 1216 CD1 LEU A 75 -6.062 2.183 14.317 1.00 0.00 C ATOM 1217 CD2 LEU A 75 -7.112 1.202 12.266 1.00 0.00 C ATOM 0 H LEU A 75 -5.185 5.452 11.056 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.480 4.286 13.523 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.594 3.910 12.286 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.712 3.087 11.015 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.020 1.343 12.661 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.191 1.226 14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.171 2.679 14.702 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.934 2.811 14.501 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.229 0.258 12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.010 1.806 12.397 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.960 1.004 11.205 1.00 0.00 H new ATOM 1229 N TYR A 76 -2.821 3.219 10.884 1.00 0.00 N ATOM 1230 CA TYR A 76 -1.660 2.450 10.447 1.00 0.00 C ATOM 1231 C TYR A 76 -0.376 3.131 10.906 1.00 0.00 C ATOM 1232 O TYR A 76 0.662 2.492 11.061 1.00 0.00 O ATOM 1233 CB TYR A 76 -1.678 2.300 8.918 1.00 0.00 C ATOM 1234 CG TYR A 76 -0.646 1.335 8.369 1.00 0.00 C ATOM 1235 CD1 TYR A 76 -0.862 -0.038 8.404 1.00 0.00 C ATOM 1236 CD2 TYR A 76 0.535 1.798 7.802 1.00 0.00 C ATOM 1237 CE1 TYR A 76 0.072 -0.920 7.892 1.00 0.00 C ATOM 1238 CE2 TYR A 76 1.472 0.922 7.289 1.00 0.00 C ATOM 1239 CZ TYR A 76 1.236 -0.435 7.336 1.00 0.00 C ATOM 1240 OH TYR A 76 2.169 -1.311 6.822 1.00 0.00 O ATOM 0 H TYR A 76 -3.286 3.737 10.138 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.700 1.457 10.894 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.669 1.966 8.610 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.517 3.279 8.468 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.774 -0.422 8.838 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.724 2.861 7.762 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.110 -1.984 7.928 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.385 1.299 6.853 1.00 0.00 H new ATOM 0 HH TYR A 76 1.842 -2.230 6.917 1.00 0.00 H new ATOM 1250 N ARG A 77 -0.462 4.436 11.129 1.00 0.00 N ATOM 1251 CA ARG A 77 0.678 5.216 11.597 1.00 0.00 C ATOM 1252 C ARG A 77 0.868 5.059 13.109 1.00 0.00 C ATOM 1253 O ARG A 77 1.985 5.152 13.619 1.00 0.00 O ATOM 1254 CB ARG A 77 0.480 6.692 11.248 1.00 0.00 C ATOM 1255 CG ARG A 77 1.667 7.576 11.603 1.00 0.00 C ATOM 1256 CD ARG A 77 1.350 9.041 11.362 1.00 0.00 C ATOM 1257 NE ARG A 77 2.483 9.915 11.662 1.00 0.00 N ATOM 1258 CZ ARG A 77 2.377 11.061 12.337 1.00 0.00 C ATOM 1259 NH1 ARG A 77 1.216 11.414 12.869 1.00 0.00 N ATOM 1260 NH2 ARG A 77 3.434 11.847 12.502 1.00 0.00 N ATOM 0 H ARG A 77 -1.314 4.980 10.993 1.00 0.00 H new ATOM 0 HA ARG A 77 1.573 4.843 11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.282 6.779 10.180 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.404 7.062 11.767 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.936 7.426 12.649 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.532 7.285 11.007 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.054 9.179 10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.498 9.331 11.977 1.00 0.00 H new ATOM 0 HE ARG A 77 3.407 9.632 11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.401 10.809 12.763 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.137 12.290 13.385 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.337 11.577 12.111 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.344 12.721 13.019 1.00 0.00 H new ATOM 1274 N LYS A 78 -0.229 4.834 13.820 1.00 0.00 N ATOM 1275 CA LYS A 78 -0.179 4.690 15.268 1.00 0.00 C ATOM 1276 C LYS A 78 0.151 3.258 15.666 1.00 0.00 C ATOM 1277 O LYS A 78 0.879 3.027 16.635 1.00 0.00 O ATOM 1278 CB LYS A 78 -1.500 5.135 15.894 1.00 0.00 C ATOM 1279 CG LYS A 78 -1.753 6.625 15.745 1.00 0.00 C ATOM 1280 CD LYS A 78 -3.070 7.039 16.369 1.00 0.00 C ATOM 1281 CE LYS A 78 -3.280 8.541 16.276 1.00 0.00 C ATOM 1282 NZ LYS A 78 -2.234 9.300 17.016 1.00 0.00 N ATOM 0 H LYS A 78 -1.162 4.747 13.418 1.00 0.00 H new ATOM 0 HA LYS A 78 0.617 5.332 15.645 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.319 4.585 15.431 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.500 4.876 16.953 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.939 7.180 16.212 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.753 6.889 14.688 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.890 6.524 15.868 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.092 6.731 17.414 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.274 8.843 15.229 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.262 8.795 16.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.545 10.284 17.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.080 8.862 17.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.346 9.285 16.475 1.00 0.00 H new ATOM 1296 N GLN A 79 -0.383 2.297 14.926 1.00 0.00 N ATOM 1297 CA GLN A 79 -0.036 0.907 15.139 1.00 0.00 C ATOM 1298 C GLN A 79 1.267 0.596 14.425 1.00 0.00 C ATOM 1299 O GLN A 79 1.655 1.309 13.501 1.00 0.00 O ATOM 1300 CB GLN A 79 -1.141 -0.025 14.637 1.00 0.00 C ATOM 1301 CG GLN A 79 -2.421 0.033 15.453 1.00 0.00 C ATOM 1302 CD GLN A 79 -3.358 -1.120 15.139 1.00 0.00 C ATOM 1303 OE1 GLN A 79 -2.785 -2.257 14.769 1.00 0.00 O flip ATOM 1304 NE2 GLN A 79 -4.581 -0.997 15.232 1.00 0.00 N flip ATOM 0 H GLN A 79 -1.056 2.457 14.176 1.00 0.00 H new ATOM 0 HA GLN A 79 0.081 0.742 16.210 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.371 0.227 13.602 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.767 -1.049 14.640 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.173 0.018 16.514 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.931 0.976 15.258 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.983 -0.105 15.520 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.191 -1.787 15.021 1.00 0.00 H new ATOM 1313 N PHE A 80 1.932 -0.464 14.869 1.00 0.00 N ATOM 1314 CA PHE A 80 3.212 -0.908 14.303 1.00 0.00 C ATOM 1315 C PHE A 80 4.342 0.089 14.589 1.00 0.00 C ATOM 1316 O PHE A 80 5.308 -0.246 15.266 1.00 0.00 O ATOM 1317 CB PHE A 80 3.094 -1.150 12.790 1.00 0.00 C ATOM 1318 CG PHE A 80 1.999 -2.108 12.407 1.00 0.00 C ATOM 1319 CD1 PHE A 80 2.067 -3.441 12.774 1.00 0.00 C ATOM 1320 CD2 PHE A 80 0.904 -1.672 11.676 1.00 0.00 C ATOM 1321 CE1 PHE A 80 1.063 -4.322 12.419 1.00 0.00 C ATOM 1322 CE2 PHE A 80 -0.101 -2.549 11.319 1.00 0.00 C ATOM 1323 CZ PHE A 80 -0.022 -3.876 11.692 1.00 0.00 C ATOM 0 H PHE A 80 1.601 -1.048 15.637 1.00 0.00 H new ATOM 0 HA PHE A 80 3.463 -1.849 14.792 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.919 -0.196 12.292 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.044 -1.533 12.419 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.913 -3.796 13.343 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.837 -0.635 11.383 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.128 -5.360 12.711 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.948 -2.197 10.749 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.808 -4.564 11.415 1.00 0.00 H new ATOM 1333 N PHE A 81 4.195 1.308 14.089 1.00 0.00 N ATOM 1334 CA PHE A 81 5.228 2.336 14.186 1.00 0.00 C ATOM 1335 C PHE A 81 5.564 2.684 15.639 1.00 0.00 C ATOM 1336 O PHE A 81 6.709 3.004 15.955 1.00 0.00 O ATOM 1337 CB PHE A 81 4.766 3.589 13.433 1.00 0.00 C ATOM 1338 CG PHE A 81 5.775 4.706 13.404 1.00 0.00 C ATOM 1339 CD1 PHE A 81 6.831 4.681 12.508 1.00 0.00 C ATOM 1340 CD2 PHE A 81 5.661 5.784 14.270 1.00 0.00 C ATOM 1341 CE1 PHE A 81 7.755 5.708 12.474 1.00 0.00 C ATOM 1342 CE2 PHE A 81 6.583 6.813 14.241 1.00 0.00 C ATOM 1343 CZ PHE A 81 7.632 6.776 13.342 1.00 0.00 C ATOM 0 H PHE A 81 3.353 1.615 13.602 1.00 0.00 H new ATOM 0 HA PHE A 81 6.139 1.943 13.734 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.520 3.312 12.408 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.849 3.957 13.893 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.934 3.849 11.828 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.843 5.819 14.974 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.573 5.676 11.769 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.484 7.646 14.921 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.353 7.579 13.318 1.00 0.00 H new ATOM 1353 N GLU A 82 4.570 2.629 16.518 1.00 0.00 N ATOM 1354 CA GLU A 82 4.784 2.978 17.919 1.00 0.00 C ATOM 1355 C GLU A 82 5.053 1.737 18.791 1.00 0.00 C ATOM 1356 O GLU A 82 6.000 1.741 19.580 1.00 0.00 O ATOM 1357 CB GLU A 82 3.597 3.777 18.466 1.00 0.00 C ATOM 1358 CG GLU A 82 3.815 4.302 19.874 1.00 0.00 C ATOM 1359 CD GLU A 82 2.616 5.050 20.415 1.00 0.00 C ATOM 1360 OE1 GLU A 82 1.720 4.403 21.000 1.00 0.00 O ATOM 1361 OE2 GLU A 82 2.556 6.289 20.257 1.00 0.00 O ATOM 0 H GLU A 82 3.616 2.349 16.289 1.00 0.00 H new ATOM 0 HA GLU A 82 5.676 3.603 17.963 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.398 4.617 17.801 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.709 3.145 18.456 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.045 3.467 20.536 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.682 4.962 19.880 1.00 0.00 H new ATOM 1368 N PRO A 83 4.225 0.664 18.697 1.00 0.00 N ATOM 1369 CA PRO A 83 4.454 -0.571 19.466 1.00 0.00 C ATOM 1370 C PRO A 83 5.771 -1.255 19.104 1.00 0.00 C ATOM 1371 O PRO A 83 6.417 -1.866 19.956 1.00 0.00 O ATOM 1372 CB PRO A 83 3.269 -1.467 19.088 1.00 0.00 C ATOM 1373 CG PRO A 83 2.237 -0.535 18.563 1.00 0.00 C ATOM 1374 CD PRO A 83 2.998 0.564 17.887 1.00 0.00 C ATOM 0 HA PRO A 83 4.524 -0.365 20.534 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.555 -2.204 18.337 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.900 -2.019 19.952 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.572 -1.040 17.863 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.615 -0.144 19.368 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.219 0.322 16.848 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.439 1.500 17.884 1.00 0.00 H new ATOM 1382 N PHE A 84 6.160 -1.157 17.843 1.00 0.00 N ATOM 1383 CA PHE A 84 7.415 -1.736 17.386 1.00 0.00 C ATOM 1384 C PHE A 84 8.429 -0.628 17.149 1.00 0.00 C ATOM 1385 O PHE A 84 8.067 0.546 17.099 1.00 0.00 O ATOM 1386 CB PHE A 84 7.217 -2.532 16.091 1.00 0.00 C ATOM 1387 CG PHE A 84 6.251 -3.677 16.206 1.00 0.00 C ATOM 1388 CD1 PHE A 84 4.900 -3.489 15.959 1.00 0.00 C ATOM 1389 CD2 PHE A 84 6.697 -4.943 16.547 1.00 0.00 C ATOM 1390 CE1 PHE A 84 4.012 -4.541 16.052 1.00 0.00 C ATOM 1391 CE2 PHE A 84 5.813 -5.998 16.643 1.00 0.00 C ATOM 1392 CZ PHE A 84 4.469 -5.798 16.395 1.00 0.00 C ATOM 0 H PHE A 84 5.625 -0.682 17.116 1.00 0.00 H new ATOM 0 HA PHE A 84 7.779 -2.417 18.156 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.867 -1.854 15.313 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.183 -2.919 15.766 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.538 -2.507 15.691 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.747 -5.106 16.740 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.962 -4.382 15.857 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.172 -6.980 16.912 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.777 -6.624 16.469 1.00 0.00 H new ATOM 1402 N ILE A 85 9.693 -0.993 17.007 1.00 0.00 N ATOM 1403 CA ILE A 85 10.728 -0.012 16.719 1.00 0.00 C ATOM 1404 C ILE A 85 10.635 0.434 15.258 1.00 0.00 C ATOM 1405 O ILE A 85 10.228 -0.343 14.389 1.00 0.00 O ATOM 1406 CB ILE A 85 12.142 -0.568 17.024 1.00 0.00 C ATOM 1407 CG1 ILE A 85 13.204 0.519 16.821 1.00 0.00 C ATOM 1408 CG2 ILE A 85 12.443 -1.785 16.157 1.00 0.00 C ATOM 1409 CD1 ILE A 85 14.613 0.069 17.147 1.00 0.00 C ATOM 0 H ILE A 85 10.026 -1.954 17.086 1.00 0.00 H new ATOM 0 HA ILE A 85 10.565 0.848 17.368 1.00 0.00 H new ATOM 0 HB ILE A 85 12.168 -0.881 18.068 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.171 0.856 15.785 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.954 1.378 17.444 1.00 0.00 H new ATOM 0 HG21 ILE A 85 13.441 -2.159 16.388 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.708 -2.565 16.357 1.00 0.00 H new ATOM 0 HG23 ILE A 85 12.396 -1.503 15.105 1.00 0.00 H new ATOM 0 HD11 ILE A 85 15.306 0.893 16.978 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.664 -0.240 18.191 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.884 -0.770 16.506 1.00 0.00 H new ATOM 1421 N ASN A 86 11.002 1.690 14.999 1.00 0.00 N ATOM 1422 CA ASN A 86 10.940 2.272 13.654 1.00 0.00 C ATOM 1423 C ASN A 86 11.656 1.377 12.640 1.00 0.00 C ATOM 1424 O ASN A 86 11.205 1.225 11.505 1.00 0.00 O ATOM 1425 CB ASN A 86 11.579 3.670 13.661 1.00 0.00 C ATOM 1426 CG ASN A 86 11.184 4.543 12.470 1.00 0.00 C ATOM 1427 OD1 ASN A 86 10.905 3.938 11.323 1.00 0.00 O flip ATOM 1428 ND2 ASN A 86 11.139 5.767 12.584 1.00 0.00 N flip ATOM 0 H ASN A 86 11.350 2.332 15.712 1.00 0.00 H new ATOM 0 HA ASN A 86 9.893 2.354 13.361 1.00 0.00 H new ATOM 0 HB2 ASN A 86 11.298 4.181 14.582 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.664 3.562 13.675 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.359 6.204 13.479 1.00 0.00 H new ATOM 0 HD22 ASN A 86 10.882 6.345 11.784 1.00 0.00 H new ATOM 1435 N SER A 87 12.765 0.782 13.059 1.00 0.00 N ATOM 1436 CA SER A 87 13.562 -0.080 12.193 1.00 0.00 C ATOM 1437 C SER A 87 12.784 -1.326 11.754 1.00 0.00 C ATOM 1438 O SER A 87 12.989 -1.839 10.654 1.00 0.00 O ATOM 1439 CB SER A 87 14.841 -0.487 12.923 1.00 0.00 C ATOM 1440 OG SER A 87 15.528 0.656 13.405 1.00 0.00 O ATOM 0 H SER A 87 13.137 0.882 14.004 1.00 0.00 H new ATOM 0 HA SER A 87 13.811 0.480 11.292 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.596 -1.148 13.754 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.488 -1.049 12.249 1.00 0.00 H new ATOM 0 HG SER A 87 16.343 0.375 13.871 1.00 0.00 H new ATOM 1446 N ARG A 88 11.883 -1.799 12.609 1.00 0.00 N ATOM 1447 CA ARG A 88 11.097 -2.991 12.307 1.00 0.00 C ATOM 1448 C ARG A 88 9.863 -2.599 11.503 1.00 0.00 C ATOM 1449 O ARG A 88 9.416 -3.336 10.623 1.00 0.00 O ATOM 1450 CB ARG A 88 10.692 -3.694 13.607 1.00 0.00 C ATOM 1451 CG ARG A 88 10.104 -5.088 13.423 1.00 0.00 C ATOM 1452 CD ARG A 88 11.111 -6.060 12.821 1.00 0.00 C ATOM 1453 NE ARG A 88 10.783 -7.448 13.148 1.00 0.00 N ATOM 1454 CZ ARG A 88 11.154 -8.506 12.425 1.00 0.00 C ATOM 1455 NH1 ARG A 88 11.797 -8.348 11.274 1.00 0.00 N ATOM 1456 NH2 ARG A 88 10.869 -9.731 12.851 1.00 0.00 N ATOM 0 H ARG A 88 11.679 -1.377 13.515 1.00 0.00 H new ATOM 0 HA ARG A 88 11.698 -3.681 11.715 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.567 -3.766 14.252 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.963 -3.073 14.127 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.765 -5.468 14.387 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.227 -5.029 12.778 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.134 -5.937 11.738 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.109 -5.825 13.190 1.00 0.00 H new ATOM 0 HE ARG A 88 10.231 -7.619 13.989 1.00 0.00 H new ATOM 0 HH11 ARG A 88 12.012 -7.411 10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.076 -9.164 10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.367 -9.862 13.729 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.152 -10.541 12.300 1.00 0.00 H new ATOM 1470 N ALA A 89 9.330 -1.420 11.804 1.00 0.00 N ATOM 1471 CA ALA A 89 8.184 -0.885 11.080 1.00 0.00 C ATOM 1472 C ALA A 89 8.567 -0.558 9.642 1.00 0.00 C ATOM 1473 O ALA A 89 7.750 -0.682 8.731 1.00 0.00 O ATOM 1474 CB ALA A 89 7.641 0.351 11.781 1.00 0.00 C ATOM 0 H ALA A 89 9.676 -0.814 12.548 1.00 0.00 H new ATOM 0 HA ALA A 89 7.401 -1.644 11.064 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.786 0.737 11.227 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.330 0.089 12.792 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.418 1.114 11.827 1.00 0.00 H new ATOM 1480 N LEU A 90 9.817 -0.144 9.451 1.00 0.00 N ATOM 1481 CA LEU A 90 10.349 0.131 8.121 1.00 0.00 C ATOM 1482 C LEU A 90 10.269 -1.126 7.257 1.00 0.00 C ATOM 1483 O LEU A 90 9.735 -1.102 6.149 1.00 0.00 O ATOM 1484 CB LEU A 90 11.803 0.605 8.229 1.00 0.00 C ATOM 1485 CG LEU A 90 12.473 0.983 6.908 1.00 0.00 C ATOM 1486 CD1 LEU A 90 11.853 2.243 6.331 1.00 0.00 C ATOM 1487 CD2 LEU A 90 13.969 1.163 7.105 1.00 0.00 C ATOM 0 H LEU A 90 10.484 0.009 10.207 1.00 0.00 H new ATOM 0 HA LEU A 90 9.755 0.917 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.837 1.469 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.389 -0.183 8.701 1.00 0.00 H new ATOM 0 HG LEU A 90 12.314 0.172 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.345 2.493 5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.791 2.076 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.977 3.065 7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.431 1.432 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.148 1.955 7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.403 0.232 7.469 1.00 0.00 H new ATOM 1499 N GLU A 91 10.789 -2.226 7.793 1.00 0.00 N ATOM 1500 CA GLU A 91 10.760 -3.516 7.109 1.00 0.00 C ATOM 1501 C GLU A 91 9.320 -3.939 6.828 1.00 0.00 C ATOM 1502 O GLU A 91 8.995 -4.420 5.741 1.00 0.00 O ATOM 1503 CB GLU A 91 11.444 -4.570 7.981 1.00 0.00 C ATOM 1504 CG GLU A 91 11.552 -5.940 7.333 1.00 0.00 C ATOM 1505 CD GLU A 91 11.908 -7.022 8.331 1.00 0.00 C ATOM 1506 OE1 GLU A 91 12.580 -6.712 9.337 1.00 0.00 O ATOM 1507 OE2 GLU A 91 11.509 -8.189 8.115 1.00 0.00 O ATOM 0 H GLU A 91 11.240 -2.250 8.708 1.00 0.00 H new ATOM 0 HA GLU A 91 11.289 -3.424 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.445 -4.221 8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.892 -4.665 8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.605 -6.188 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.308 -5.910 6.548 1.00 0.00 H new ATOM 1514 N LEU A 92 8.465 -3.743 7.826 1.00 0.00 N ATOM 1515 CA LEU A 92 7.053 -4.084 7.728 1.00 0.00 C ATOM 1516 C LEU A 92 6.384 -3.319 6.583 1.00 0.00 C ATOM 1517 O LEU A 92 5.543 -3.867 5.866 1.00 0.00 O ATOM 1518 CB LEU A 92 6.376 -3.795 9.074 1.00 0.00 C ATOM 1519 CG LEU A 92 4.892 -4.147 9.172 1.00 0.00 C ATOM 1520 CD1 LEU A 92 4.561 -4.647 10.570 1.00 0.00 C ATOM 1521 CD2 LEU A 92 4.042 -2.932 8.842 1.00 0.00 C ATOM 0 H LEU A 92 8.733 -3.343 8.725 1.00 0.00 H new ATOM 0 HA LEU A 92 6.948 -5.145 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.910 -4.342 9.851 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.492 -2.734 9.295 1.00 0.00 H new ATOM 0 HG LEU A 92 4.674 -4.937 8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.501 -4.894 10.626 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.153 -5.536 10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.792 -3.870 11.298 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.987 -3.195 8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.265 -2.130 9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.263 -2.598 7.828 1.00 0.00 H new ATOM 1533 N ALA A 93 6.774 -2.061 6.407 1.00 0.00 N ATOM 1534 CA ALA A 93 6.259 -1.244 5.315 1.00 0.00 C ATOM 1535 C ALA A 93 6.668 -1.832 3.968 1.00 0.00 C ATOM 1536 O ALA A 93 5.835 -1.989 3.071 1.00 0.00 O ATOM 1537 CB ALA A 93 6.747 0.192 5.446 1.00 0.00 C ATOM 0 H ALA A 93 7.446 -1.585 7.008 1.00 0.00 H new ATOM 0 HA ALA A 93 5.170 -1.241 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.353 0.787 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.402 0.609 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.836 0.210 5.417 1.00 0.00 H new ATOM 1543 N PHE A 94 7.946 -2.178 3.841 1.00 0.00 N ATOM 1544 CA PHE A 94 8.458 -2.793 2.620 1.00 0.00 C ATOM 1545 C PHE A 94 7.708 -4.081 2.298 1.00 0.00 C ATOM 1546 O PHE A 94 7.279 -4.295 1.162 1.00 0.00 O ATOM 1547 CB PHE A 94 9.954 -3.096 2.744 1.00 0.00 C ATOM 1548 CG PHE A 94 10.844 -1.890 2.625 1.00 0.00 C ATOM 1549 CD1 PHE A 94 11.031 -1.273 1.399 1.00 0.00 C ATOM 1550 CD2 PHE A 94 11.507 -1.387 3.731 1.00 0.00 C ATOM 1551 CE1 PHE A 94 11.862 -0.174 1.280 1.00 0.00 C ATOM 1552 CE2 PHE A 94 12.336 -0.287 3.617 1.00 0.00 C ATOM 1553 CZ PHE A 94 12.514 0.319 2.391 1.00 0.00 C ATOM 0 H PHE A 94 8.647 -2.043 4.570 1.00 0.00 H new ATOM 0 HA PHE A 94 8.304 -2.080 1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 94 10.137 -3.574 3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.232 -3.815 1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 94 10.522 -1.655 0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 94 11.375 -1.859 4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.000 0.298 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 94 12.845 0.098 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.163 1.178 2.301 1.00 0.00 H new ATOM 1563 N ARG A 95 7.529 -4.929 3.307 1.00 0.00 N ATOM 1564 CA ARG A 95 6.888 -6.226 3.113 1.00 0.00 C ATOM 1565 C ARG A 95 5.426 -6.091 2.697 1.00 0.00 C ATOM 1566 O ARG A 95 4.896 -6.963 2.020 1.00 0.00 O ATOM 1567 CB ARG A 95 6.979 -7.086 4.375 1.00 0.00 C ATOM 1568 CG ARG A 95 8.390 -7.538 4.715 1.00 0.00 C ATOM 1569 CD ARG A 95 8.372 -8.718 5.674 1.00 0.00 C ATOM 1570 NE ARG A 95 7.725 -9.891 5.079 1.00 0.00 N ATOM 1571 CZ ARG A 95 7.549 -11.055 5.703 1.00 0.00 C ATOM 1572 NH1 ARG A 95 7.977 -11.227 6.949 1.00 0.00 N ATOM 1573 NH2 ARG A 95 6.948 -12.054 5.071 1.00 0.00 N ATOM 0 H ARG A 95 7.819 -4.741 4.267 1.00 0.00 H new ATOM 0 HA ARG A 95 7.430 -6.716 2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.577 -6.522 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.347 -7.965 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.916 -7.816 3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.942 -6.711 5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.393 -8.971 5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.847 -8.437 6.587 1.00 0.00 H new ATOM 0 HE ARG A 95 7.386 -9.811 4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.445 -10.464 7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.837 -12.122 7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.623 -11.929 4.112 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.811 -12.947 5.544 1.00 0.00 H new ATOM 1587 N HIS A 96 4.775 -5.010 3.101 1.00 0.00 N ATOM 1588 CA HIS A 96 3.362 -4.827 2.778 1.00 0.00 C ATOM 1589 C HIS A 96 3.168 -4.231 1.390 1.00 0.00 C ATOM 1590 O HIS A 96 2.214 -4.569 0.695 1.00 0.00 O ATOM 1591 CB HIS A 96 2.664 -3.948 3.818 1.00 0.00 C ATOM 1592 CG HIS A 96 2.326 -4.672 5.083 1.00 0.00 C ATOM 1593 ND1 HIS A 96 1.970 -4.030 6.248 1.00 0.00 N ATOM 1594 CD2 HIS A 96 2.273 -5.996 5.355 1.00 0.00 C ATOM 1595 CE1 HIS A 96 1.714 -4.928 7.181 1.00 0.00 C ATOM 1596 NE2 HIS A 96 1.890 -6.127 6.665 1.00 0.00 N ATOM 0 H HIS A 96 5.192 -4.255 3.645 1.00 0.00 H new ATOM 0 HA HIS A 96 2.909 -5.819 2.791 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.306 -3.100 4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.749 -3.544 3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.492 -6.800 4.668 1.00 0.00 H new ATOM 0 HE1 HIS A 96 1.411 -4.716 8.196 1.00 0.00 H new ATOM 0 HE2 HIS A 96 1.762 -7.010 7.160 1.00 0.00 H new ATOM 1605 N ILE A 97 4.067 -3.347 0.989 1.00 0.00 N ATOM 1606 CA ILE A 97 3.917 -2.654 -0.285 1.00 0.00 C ATOM 1607 C ILE A 97 4.674 -3.365 -1.405 1.00 0.00 C ATOM 1608 O ILE A 97 4.111 -3.651 -2.461 1.00 0.00 O ATOM 1609 CB ILE A 97 4.394 -1.191 -0.180 1.00 0.00 C ATOM 1610 CG1 ILE A 97 3.621 -0.469 0.929 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.212 -0.478 -1.515 1.00 0.00 C ATOM 1612 CD1 ILE A 97 4.116 0.932 1.209 1.00 0.00 C ATOM 0 H ILE A 97 4.901 -3.093 1.519 1.00 0.00 H new ATOM 0 HA ILE A 97 2.855 -2.663 -0.529 1.00 0.00 H new ATOM 0 HB ILE A 97 5.455 -1.180 0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.567 -0.423 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.686 -1.056 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.553 0.554 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.795 -0.988 -2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.158 -0.489 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.519 1.376 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.161 0.894 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.025 1.537 0.307 1.00 0.00 H new ATOM 1624 N LEU A 98 5.942 -3.664 -1.168 1.00 0.00 N ATOM 1625 CA LEU A 98 6.771 -4.308 -2.178 1.00 0.00 C ATOM 1626 C LEU A 98 6.679 -5.825 -2.058 1.00 0.00 C ATOM 1627 O LEU A 98 7.118 -6.556 -2.943 1.00 0.00 O ATOM 1628 CB LEU A 98 8.228 -3.859 -2.042 1.00 0.00 C ATOM 1629 CG LEU A 98 8.467 -2.352 -2.170 1.00 0.00 C ATOM 1630 CD1 LEU A 98 9.947 -2.037 -2.029 1.00 0.00 C ATOM 1631 CD2 LEU A 98 7.938 -1.831 -3.500 1.00 0.00 C ATOM 0 H LEU A 98 6.420 -3.472 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 98 6.403 -4.012 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.602 -4.188 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.820 -4.369 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 98 7.925 -1.851 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 98 10.101 -0.962 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.299 -2.370 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.505 -2.552 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.119 -0.758 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.449 -2.338 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.867 -2.023 -3.566 1.00 0.00 H new ATOM 1643 N GLY A 99 6.113 -6.290 -0.949 1.00 0.00 N ATOM 1644 CA GLY A 99 5.950 -7.716 -0.735 1.00 0.00 C ATOM 1645 C GLY A 99 7.212 -8.377 -0.213 1.00 0.00 C ATOM 1646 O GLY A 99 7.241 -9.586 0.025 1.00 0.00 O ATOM 0 H GLY A 99 5.763 -5.702 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.138 -7.883 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.658 -8.189 -1.673 1.00 0.00 H new ATOM 1650 N ARG A 100 8.250 -7.579 -0.019 1.00 0.00 N ATOM 1651 CA ARG A 100 9.539 -8.082 0.425 1.00 0.00 C ATOM 1652 C ARG A 100 10.305 -6.981 1.150 1.00 0.00 C ATOM 1653 O ARG A 100 10.109 -5.799 0.867 1.00 0.00 O ATOM 1654 CB ARG A 100 10.333 -8.593 -0.784 1.00 0.00 C ATOM 1655 CG ARG A 100 11.722 -9.109 -0.452 1.00 0.00 C ATOM 1656 CD ARG A 100 12.391 -9.697 -1.680 1.00 0.00 C ATOM 1657 NE ARG A 100 13.792 -10.025 -1.439 1.00 0.00 N ATOM 1658 CZ ARG A 100 14.359 -11.174 -1.796 1.00 0.00 C ATOM 1659 NH1 ARG A 100 13.626 -12.157 -2.301 1.00 0.00 N ATOM 1660 NH2 ARG A 100 15.660 -11.357 -1.620 1.00 0.00 N ATOM 0 H ARG A 100 8.223 -6.570 -0.164 1.00 0.00 H new ATOM 0 HA ARG A 100 9.390 -8.908 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.767 -9.392 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.423 -7.786 -1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.331 -8.296 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 100 11.655 -9.867 0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.857 -10.596 -1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.322 -8.987 -2.504 1.00 0.00 H new ATOM 0 HE ARG A 100 14.372 -9.331 -0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.620 -12.035 -2.418 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.068 -13.035 -2.572 1.00 0.00 H new ATOM 0 HH21 ARG A 100 16.228 -10.616 -1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.093 -12.239 -1.894 1.00 0.00 H new ATOM 1674 N GLY A 101 11.153 -7.369 2.095 1.00 0.00 N ATOM 1675 CA GLY A 101 11.927 -6.400 2.846 1.00 0.00 C ATOM 1676 C GLY A 101 13.075 -5.809 2.044 1.00 0.00 C ATOM 1677 O GLY A 101 13.259 -6.149 0.874 1.00 0.00 O ATOM 0 H GLY A 101 11.318 -8.341 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.270 -5.596 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.324 -6.876 3.742 1.00 0.00 H new ATOM 1681 N PRO A 102 13.872 -4.926 2.666 1.00 0.00 N ATOM 1682 CA PRO A 102 14.972 -4.225 1.991 1.00 0.00 C ATOM 1683 C PRO A 102 16.031 -5.181 1.451 1.00 0.00 C ATOM 1684 O PRO A 102 16.244 -6.267 1.996 1.00 0.00 O ATOM 1685 CB PRO A 102 15.573 -3.338 3.087 1.00 0.00 C ATOM 1686 CG PRO A 102 14.532 -3.259 4.150 1.00 0.00 C ATOM 1687 CD PRO A 102 13.769 -4.550 4.083 1.00 0.00 C ATOM 0 HA PRO A 102 14.615 -3.670 1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.498 -3.765 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.816 -2.348 2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 102 14.987 -3.126 5.132 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.872 -2.407 3.986 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.203 -5.309 4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.731 -4.421 4.391 1.00 0.00 H new ATOM 1695 N SER A 103 16.688 -4.773 0.380 1.00 0.00 N ATOM 1696 CA SER A 103 17.706 -5.595 -0.249 1.00 0.00 C ATOM 1697 C SER A 103 19.101 -5.231 0.257 1.00 0.00 C ATOM 1698 O SER A 103 19.944 -6.105 0.467 1.00 0.00 O ATOM 1699 CB SER A 103 17.627 -5.451 -1.772 1.00 0.00 C ATOM 1700 OG SER A 103 17.690 -4.088 -2.170 1.00 0.00 O ATOM 0 H SER A 103 16.534 -3.873 -0.074 1.00 0.00 H new ATOM 0 HA SER A 103 17.520 -6.636 0.017 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.445 -6.004 -2.234 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.699 -5.894 -2.133 1.00 0.00 H new ATOM 0 HG SER A 103 17.022 -3.571 -1.673 1.00 0.00 H new ATOM 1706 N SER A 104 19.339 -3.945 0.467 1.00 0.00 N ATOM 1707 CA SER A 104 20.637 -3.473 0.930 1.00 0.00 C ATOM 1708 C SER A 104 20.458 -2.540 2.123 1.00 0.00 C ATOM 1709 O SER A 104 19.401 -1.929 2.273 1.00 0.00 O ATOM 1710 CB SER A 104 21.363 -2.750 -0.209 1.00 0.00 C ATOM 1711 OG SER A 104 22.615 -2.241 0.214 1.00 0.00 O ATOM 0 H SER A 104 18.649 -3.208 0.324 1.00 0.00 H new ATOM 0 HA SER A 104 21.238 -4.327 1.244 1.00 0.00 H new ATOM 0 HB2 SER A 104 21.511 -3.438 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.742 -1.933 -0.577 1.00 0.00 H new ATOM 0 HG SER A 104 23.054 -1.787 -0.536 1.00 0.00 H new ATOM 1717 N ARG A 105 21.484 -2.416 2.966 1.00 0.00 N ATOM 1718 CA ARG A 105 21.377 -1.561 4.142 1.00 0.00 C ATOM 1719 C ARG A 105 21.466 -0.090 3.751 1.00 0.00 C ATOM 1720 O ARG A 105 21.001 0.779 4.487 1.00 0.00 O ATOM 1721 CB ARG A 105 22.422 -1.910 5.209 1.00 0.00 C ATOM 1722 CG ARG A 105 23.866 -1.647 4.816 1.00 0.00 C ATOM 1723 CD ARG A 105 24.784 -1.861 6.009 1.00 0.00 C ATOM 1724 NE ARG A 105 26.191 -1.630 5.687 1.00 0.00 N ATOM 1725 CZ ARG A 105 27.077 -1.115 6.542 1.00 0.00 C ATOM 1726 NH1 ARG A 105 26.698 -0.703 7.745 1.00 0.00 N ATOM 1727 NH2 ARG A 105 28.347 -1.000 6.186 1.00 0.00 N ATOM 0 H ARG A 105 22.382 -2.888 2.858 1.00 0.00 H new ATOM 0 HA ARG A 105 20.398 -1.743 4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 105 22.199 -1.341 6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 105 22.319 -2.965 5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 105 24.155 -2.311 4.002 1.00 0.00 H new ATOM 0 HG3 ARG A 105 23.970 -0.627 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 105 24.486 -1.192 6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 105 24.662 -2.880 6.378 1.00 0.00 H new ATOM 0 HE ARG A 105 26.515 -1.877 4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 105 25.720 -0.778 8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 105 27.385 -0.311 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 105 28.647 -1.305 5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 105 29.026 -0.607 6.838 1.00 0.00 H new ATOM 1741 N GLU A 106 22.043 0.191 2.581 1.00 0.00 N ATOM 1742 CA GLU A 106 22.000 1.542 2.033 1.00 0.00 C ATOM 1743 C GLU A 106 20.551 1.927 1.785 1.00 0.00 C ATOM 1744 O GLU A 106 20.121 3.034 2.106 1.00 0.00 O ATOM 1745 CB GLU A 106 22.784 1.642 0.722 1.00 0.00 C ATOM 1746 CG GLU A 106 24.286 1.504 0.883 1.00 0.00 C ATOM 1747 CD GLU A 106 25.035 1.778 -0.408 1.00 0.00 C ATOM 1748 OE1 GLU A 106 24.391 2.175 -1.406 1.00 0.00 O ATOM 1749 OE2 GLU A 106 26.270 1.599 -0.428 1.00 0.00 O ATOM 0 H GLU A 106 22.538 -0.489 2.004 1.00 0.00 H new ATOM 0 HA GLU A 106 22.460 2.220 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 106 22.430 0.868 0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 106 22.567 2.602 0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 106 24.631 2.194 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.520 0.497 1.229 1.00 0.00 H new ATOM 1756 N GLU A 107 19.808 0.975 1.234 1.00 0.00 N ATOM 1757 CA GLU A 107 18.388 1.134 0.970 1.00 0.00 C ATOM 1758 C GLU A 107 17.621 1.306 2.282 1.00 0.00 C ATOM 1759 O GLU A 107 16.684 2.101 2.366 1.00 0.00 O ATOM 1760 CB GLU A 107 17.892 -0.089 0.195 1.00 0.00 C ATOM 1761 CG GLU A 107 16.416 -0.070 -0.158 1.00 0.00 C ATOM 1762 CD GLU A 107 16.039 -1.228 -1.061 1.00 0.00 C ATOM 1763 OE1 GLU A 107 16.185 -2.395 -0.631 1.00 0.00 O ATOM 1764 OE2 GLU A 107 15.635 -0.974 -2.213 1.00 0.00 O ATOM 0 H GLU A 107 20.179 0.066 0.957 1.00 0.00 H new ATOM 0 HA GLU A 107 18.218 2.029 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.469 -0.175 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.097 -0.982 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.823 -0.113 0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.172 0.871 -0.652 1.00 0.00 H new ATOM 1771 N VAL A 108 18.042 0.567 3.308 1.00 0.00 N ATOM 1772 CA VAL A 108 17.457 0.689 4.640 1.00 0.00 C ATOM 1773 C VAL A 108 17.591 2.120 5.157 1.00 0.00 C ATOM 1774 O VAL A 108 16.592 2.777 5.441 1.00 0.00 O ATOM 1775 CB VAL A 108 18.121 -0.277 5.650 1.00 0.00 C ATOM 1776 CG1 VAL A 108 17.512 -0.116 7.036 1.00 0.00 C ATOM 1777 CG2 VAL A 108 17.992 -1.716 5.183 1.00 0.00 C ATOM 0 H VAL A 108 18.789 -0.124 3.240 1.00 0.00 H new ATOM 0 HA VAL A 108 16.403 0.426 4.549 1.00 0.00 H new ATOM 0 HB VAL A 108 19.180 -0.025 5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 108 17.995 -0.806 7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 108 17.659 0.907 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.445 -0.334 6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 108 18.466 -2.378 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 108 16.937 -1.975 5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 108 18.480 -1.830 4.215 1.00 0.00 H new ATOM 1787 N GLN A 109 18.829 2.597 5.258 1.00 0.00 N ATOM 1788 CA GLN A 109 19.099 3.950 5.743 1.00 0.00 C ATOM 1789 C GLN A 109 18.438 5.002 4.856 1.00 0.00 C ATOM 1790 O GLN A 109 17.946 6.021 5.346 1.00 0.00 O ATOM 1791 CB GLN A 109 20.609 4.204 5.818 1.00 0.00 C ATOM 1792 CG GLN A 109 21.234 3.850 7.162 1.00 0.00 C ATOM 1793 CD GLN A 109 21.080 2.386 7.537 1.00 0.00 C ATOM 1794 OE1 GLN A 109 20.098 1.993 8.171 1.00 0.00 O ATOM 1795 NE2 GLN A 109 22.054 1.569 7.165 1.00 0.00 N ATOM 0 H GLN A 109 19.664 2.066 5.010 1.00 0.00 H new ATOM 0 HA GLN A 109 18.674 4.031 6.743 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.103 3.627 5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.801 5.256 5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 109 22.295 4.101 7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.779 4.465 7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 109 22.851 1.931 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 109 22.007 0.578 7.402 1.00 0.00 H new ATOM 1804 N LYS A 110 18.420 4.741 3.555 1.00 0.00 N ATOM 1805 CA LYS A 110 17.823 5.651 2.586 1.00 0.00 C ATOM 1806 C LYS A 110 16.355 5.916 2.917 1.00 0.00 C ATOM 1807 O LYS A 110 15.928 7.066 3.025 1.00 0.00 O ATOM 1808 CB LYS A 110 17.954 5.060 1.179 1.00 0.00 C ATOM 1809 CG LYS A 110 17.417 5.947 0.068 1.00 0.00 C ATOM 1810 CD LYS A 110 17.646 5.304 -1.294 1.00 0.00 C ATOM 1811 CE LYS A 110 17.123 6.170 -2.431 1.00 0.00 C ATOM 1812 NZ LYS A 110 17.430 5.573 -3.760 1.00 0.00 N ATOM 0 H LYS A 110 18.817 3.896 3.143 1.00 0.00 H new ATOM 0 HA LYS A 110 18.352 6.603 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 110 19.006 4.851 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 110 17.429 4.105 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 110 16.352 6.122 0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 110 17.908 6.920 0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 110 18.712 5.126 -1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 110 17.153 4.332 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 110 16.045 6.295 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 110 17.567 7.163 -2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 17.059 6.189 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 18.460 5.477 -3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 16.985 4.635 -3.830 1.00 0.00 H new ATOM 1826 N TYR A 111 15.591 4.850 3.100 1.00 0.00 N ATOM 1827 CA TYR A 111 14.169 4.981 3.378 1.00 0.00 C ATOM 1828 C TYR A 111 13.909 5.232 4.860 1.00 0.00 C ATOM 1829 O TYR A 111 12.847 5.734 5.234 1.00 0.00 O ATOM 1830 CB TYR A 111 13.414 3.747 2.889 1.00 0.00 C ATOM 1831 CG TYR A 111 13.277 3.700 1.381 1.00 0.00 C ATOM 1832 CD1 TYR A 111 14.295 3.194 0.582 1.00 0.00 C ATOM 1833 CD2 TYR A 111 12.133 4.181 0.758 1.00 0.00 C ATOM 1834 CE1 TYR A 111 14.175 3.167 -0.795 1.00 0.00 C ATOM 1835 CE2 TYR A 111 12.005 4.160 -0.618 1.00 0.00 C ATOM 1836 CZ TYR A 111 13.027 3.653 -1.390 1.00 0.00 C ATOM 1837 OH TYR A 111 12.903 3.639 -2.763 1.00 0.00 O ATOM 0 H TYR A 111 15.930 3.889 3.061 1.00 0.00 H new ATOM 0 HA TYR A 111 13.799 5.849 2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 111 13.933 2.851 3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.422 3.732 3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 111 15.195 2.816 1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.329 4.579 1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.974 2.768 -1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.108 4.539 -1.086 1.00 0.00 H new ATOM 0 HH TYR A 111 12.035 4.015 -3.017 1.00 0.00 H new ATOM 1847 N PHE A 112 14.881 4.901 5.703 1.00 0.00 N ATOM 1848 CA PHE A 112 14.779 5.189 7.128 1.00 0.00 C ATOM 1849 C PHE A 112 14.822 6.697 7.349 1.00 0.00 C ATOM 1850 O PHE A 112 14.166 7.229 8.247 1.00 0.00 O ATOM 1851 CB PHE A 112 15.906 4.504 7.906 1.00 0.00 C ATOM 1852 CG PHE A 112 15.724 4.544 9.400 1.00 0.00 C ATOM 1853 CD1 PHE A 112 14.846 3.673 10.027 1.00 0.00 C ATOM 1854 CD2 PHE A 112 16.427 5.452 10.176 1.00 0.00 C ATOM 1855 CE1 PHE A 112 14.674 3.706 11.397 1.00 0.00 C ATOM 1856 CE2 PHE A 112 16.258 5.490 11.547 1.00 0.00 C ATOM 1857 CZ PHE A 112 15.380 4.616 12.158 1.00 0.00 C ATOM 0 H PHE A 112 15.745 4.435 5.425 1.00 0.00 H new ATOM 0 HA PHE A 112 13.831 4.798 7.497 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.977 3.465 7.586 1.00 0.00 H new ATOM 0 HB3 PHE A 112 16.853 4.981 7.652 1.00 0.00 H new ATOM 0 HD1 PHE A 112 14.290 2.960 9.437 1.00 0.00 H new ATOM 0 HD2 PHE A 112 17.115 6.138 9.704 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.988 3.021 11.872 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.812 6.202 12.140 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.246 4.645 13.229 1.00 0.00 H new ATOM 1867 N SER A 113 15.594 7.383 6.519 1.00 0.00 N ATOM 1868 CA SER A 113 15.626 8.833 6.541 1.00 0.00 C ATOM 1869 C SER A 113 14.263 9.391 6.141 1.00 0.00 C ATOM 1870 O SER A 113 13.747 10.316 6.770 1.00 0.00 O ATOM 1871 CB SER A 113 16.708 9.353 5.593 1.00 0.00 C ATOM 1872 OG SER A 113 16.708 10.770 5.540 1.00 0.00 O ATOM 0 H SER A 113 16.206 6.956 5.823 1.00 0.00 H new ATOM 0 HA SER A 113 15.860 9.165 7.553 1.00 0.00 H new ATOM 0 HB2 SER A 113 17.685 8.999 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.544 8.949 4.594 1.00 0.00 H new ATOM 0 HG SER A 113 17.410 11.074 4.928 1.00 0.00 H new ATOM 1878 N ILE A 114 13.670 8.796 5.110 1.00 0.00 N ATOM 1879 CA ILE A 114 12.377 9.237 4.599 1.00 0.00 C ATOM 1880 C ILE A 114 11.294 9.133 5.673 1.00 0.00 C ATOM 1881 O ILE A 114 10.510 10.063 5.866 1.00 0.00 O ATOM 1882 CB ILE A 114 11.956 8.418 3.355 1.00 0.00 C ATOM 1883 CG1 ILE A 114 13.006 8.563 2.246 1.00 0.00 C ATOM 1884 CG2 ILE A 114 10.584 8.864 2.860 1.00 0.00 C ATOM 1885 CD1 ILE A 114 12.689 7.768 0.998 1.00 0.00 C ATOM 0 H ILE A 114 14.068 8.002 4.609 1.00 0.00 H new ATOM 0 HA ILE A 114 12.486 10.282 4.310 1.00 0.00 H new ATOM 0 HB ILE A 114 11.891 7.367 3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 114 13.098 9.616 1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.975 8.245 2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.305 8.277 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.846 8.714 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.619 9.920 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.476 7.921 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.626 6.709 1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.736 8.101 0.587 1.00 0.00 H new ATOM 1897 N VAL A 115 11.266 8.016 6.389 1.00 0.00 N ATOM 1898 CA VAL A 115 10.258 7.808 7.424 1.00 0.00 C ATOM 1899 C VAL A 115 10.527 8.694 8.645 1.00 0.00 C ATOM 1900 O VAL A 115 9.610 9.028 9.395 1.00 0.00 O ATOM 1901 CB VAL A 115 10.167 6.318 7.851 1.00 0.00 C ATOM 1902 CG1 VAL A 115 11.431 5.860 8.566 1.00 0.00 C ATOM 1903 CG2 VAL A 115 8.939 6.078 8.716 1.00 0.00 C ATOM 0 H VAL A 115 11.924 7.245 6.275 1.00 0.00 H new ATOM 0 HA VAL A 115 9.298 8.092 6.993 1.00 0.00 H new ATOM 0 HB VAL A 115 10.070 5.722 6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.329 4.812 8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 115 12.287 5.975 7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.583 6.465 9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.896 5.027 9.003 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.998 6.697 9.611 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.042 6.338 8.154 1.00 0.00 H new ATOM 1913 N SER A 116 11.781 9.096 8.830 1.00 0.00 N ATOM 1914 CA SER A 116 12.144 9.956 9.950 1.00 0.00 C ATOM 1915 C SER A 116 11.904 11.431 9.620 1.00 0.00 C ATOM 1916 O SER A 116 11.664 12.246 10.515 1.00 0.00 O ATOM 1917 CB SER A 116 13.609 9.735 10.336 1.00 0.00 C ATOM 1918 OG SER A 116 13.840 8.388 10.726 1.00 0.00 O ATOM 0 H SER A 116 12.559 8.841 8.222 1.00 0.00 H new ATOM 0 HA SER A 116 11.508 9.691 10.795 1.00 0.00 H new ATOM 0 HB2 SER A 116 14.252 9.988 9.493 1.00 0.00 H new ATOM 0 HB3 SER A 116 13.877 10.404 11.153 1.00 0.00 H new ATOM 0 HG SER A 116 13.976 7.835 9.928 1.00 0.00 H new ATOM 1924 N SER A 117 11.971 11.774 8.340 1.00 0.00 N ATOM 1925 CA SER A 117 11.784 13.153 7.910 1.00 0.00 C ATOM 1926 C SER A 117 10.349 13.391 7.442 1.00 0.00 C ATOM 1927 O SER A 117 9.605 14.162 8.054 1.00 0.00 O ATOM 1928 CB SER A 117 12.773 13.496 6.791 1.00 0.00 C ATOM 1929 OG SER A 117 12.714 14.871 6.451 1.00 0.00 O ATOM 0 H SER A 117 12.153 11.116 7.582 1.00 0.00 H new ATOM 0 HA SER A 117 11.974 13.805 8.762 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.785 13.241 7.107 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.552 12.892 5.911 1.00 0.00 H new ATOM 0 HG SER A 117 13.357 15.059 5.736 1.00 0.00 H new ATOM 1935 N GLY A 118 9.954 12.709 6.374 1.00 0.00 N ATOM 1936 CA GLY A 118 8.625 12.889 5.828 1.00 0.00 C ATOM 1937 C GLY A 118 7.580 12.153 6.633 1.00 0.00 C ATOM 1938 O GLY A 118 6.443 12.609 6.760 1.00 0.00 O ATOM 0 H GLY A 118 10.533 12.033 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 118 8.383 13.952 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 118 8.605 12.535 4.797 1.00 0.00 H new ATOM 1942 N GLY A 119 7.963 11.009 7.172 1.00 0.00 N ATOM 1943 CA GLY A 119 7.058 10.243 7.997 1.00 0.00 C ATOM 1944 C GLY A 119 6.638 8.951 7.339 1.00 0.00 C ATOM 1945 O GLY A 119 7.050 8.655 6.217 1.00 0.00 O ATOM 0 H GLY A 119 8.888 10.596 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.537 10.023 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 119 6.174 10.842 8.215 1.00 0.00 H new ATOM 1949 N LEU A 120 5.813 8.183 8.035 1.00 0.00 N ATOM 1950 CA LEU A 120 5.328 6.909 7.517 1.00 0.00 C ATOM 1951 C LEU A 120 4.500 7.095 6.234 1.00 0.00 C ATOM 1952 O LEU A 120 4.735 6.392 5.256 1.00 0.00 O ATOM 1953 CB LEU A 120 4.517 6.161 8.582 1.00 0.00 C ATOM 1954 CG LEU A 120 4.102 4.737 8.205 1.00 0.00 C ATOM 1955 CD1 LEU A 120 5.327 3.869 7.956 1.00 0.00 C ATOM 1956 CD2 LEU A 120 3.237 4.134 9.297 1.00 0.00 C ATOM 0 H LEU A 120 5.463 8.420 8.964 1.00 0.00 H new ATOM 0 HA LEU A 120 6.200 6.307 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.103 6.120 9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.619 6.738 8.803 1.00 0.00 H new ATOM 0 HG LEU A 120 3.521 4.780 7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.010 2.861 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.913 4.293 7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.936 3.831 8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.949 3.121 9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.798 4.105 10.231 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.342 4.742 9.430 1.00 0.00 H new ATOM 1968 N PRO A 121 3.520 8.036 6.202 1.00 0.00 N ATOM 1969 CA PRO A 121 2.735 8.303 4.986 1.00 0.00 C ATOM 1970 C PRO A 121 3.615 8.647 3.786 1.00 0.00 C ATOM 1971 O PRO A 121 3.284 8.311 2.646 1.00 0.00 O ATOM 1972 CB PRO A 121 1.867 9.505 5.370 1.00 0.00 C ATOM 1973 CG PRO A 121 1.757 9.430 6.849 1.00 0.00 C ATOM 1974 CD PRO A 121 3.071 8.882 7.328 1.00 0.00 C ATOM 0 HA PRO A 121 2.162 7.428 4.679 1.00 0.00 H new ATOM 0 HB2 PRO A 121 2.325 10.442 5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.887 9.454 4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.564 10.413 7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.931 8.784 7.148 1.00 0.00 H new ATOM 0 HD2 PRO A 121 3.784 9.678 7.542 1.00 0.00 H new ATOM 0 HD3 PRO A 121 2.955 8.303 8.244 1.00 0.00 H new ATOM 1982 N ALA A 122 4.738 9.311 4.045 1.00 0.00 N ATOM 1983 CA ALA A 122 5.682 9.655 2.990 1.00 0.00 C ATOM 1984 C ALA A 122 6.452 8.420 2.534 1.00 0.00 C ATOM 1985 O ALA A 122 6.703 8.238 1.344 1.00 0.00 O ATOM 1986 CB ALA A 122 6.641 10.738 3.460 1.00 0.00 C ATOM 0 H ALA A 122 5.015 9.621 4.976 1.00 0.00 H new ATOM 0 HA ALA A 122 5.118 10.041 2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.338 10.980 2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.077 11.630 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.197 10.381 4.327 1.00 0.00 H new ATOM 1992 N LEU A 123 6.816 7.574 3.495 1.00 0.00 N ATOM 1993 CA LEU A 123 7.480 6.308 3.203 1.00 0.00 C ATOM 1994 C LEU A 123 6.575 5.427 2.345 1.00 0.00 C ATOM 1995 O LEU A 123 7.001 4.882 1.326 1.00 0.00 O ATOM 1996 CB LEU A 123 7.825 5.589 4.512 1.00 0.00 C ATOM 1997 CG LEU A 123 8.483 4.219 4.357 1.00 0.00 C ATOM 1998 CD1 LEU A 123 9.861 4.354 3.733 1.00 0.00 C ATOM 1999 CD2 LEU A 123 8.568 3.518 5.702 1.00 0.00 C ATOM 0 H LEU A 123 6.661 7.745 4.488 1.00 0.00 H new ATOM 0 HA LEU A 123 8.400 6.507 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.490 6.228 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 123 6.910 5.470 5.092 1.00 0.00 H new ATOM 0 HG LEU A 123 7.868 3.613 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.313 3.367 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.771 4.815 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.489 4.977 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.039 2.543 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.161 4.121 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.565 3.386 6.108 1.00 0.00 H new ATOM 2011 N VAL A 124 5.320 5.308 2.767 1.00 0.00 N ATOM 2012 CA VAL A 124 4.316 4.565 2.013 1.00 0.00 C ATOM 2013 C VAL A 124 4.180 5.132 0.605 1.00 0.00 C ATOM 2014 O VAL A 124 4.135 4.389 -0.376 1.00 0.00 O ATOM 2015 CB VAL A 124 2.937 4.607 2.716 1.00 0.00 C ATOM 2016 CG1 VAL A 124 1.867 3.938 1.863 1.00 0.00 C ATOM 2017 CG2 VAL A 124 3.013 3.947 4.085 1.00 0.00 C ATOM 0 H VAL A 124 4.972 5.720 3.633 1.00 0.00 H new ATOM 0 HA VAL A 124 4.649 3.528 1.959 1.00 0.00 H new ATOM 0 HB VAL A 124 2.660 5.653 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.909 3.982 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.787 4.456 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 124 2.138 2.897 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.034 3.987 4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.319 2.907 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.740 4.474 4.703 1.00 0.00 H new ATOM 2027 N ASP A 125 4.140 6.457 0.520 1.00 0.00 N ATOM 2028 CA ASP A 125 4.005 7.153 -0.753 1.00 0.00 C ATOM 2029 C ASP A 125 5.127 6.760 -1.706 1.00 0.00 C ATOM 2030 O ASP A 125 4.874 6.378 -2.844 1.00 0.00 O ATOM 2031 CB ASP A 125 4.026 8.665 -0.526 1.00 0.00 C ATOM 2032 CG ASP A 125 3.664 9.452 -1.769 1.00 0.00 C ATOM 2033 OD1 ASP A 125 4.551 9.684 -2.618 1.00 0.00 O ATOM 2034 OD2 ASP A 125 2.488 9.863 -1.886 1.00 0.00 O ATOM 0 H ASP A 125 4.200 7.076 1.328 1.00 0.00 H new ATOM 0 HA ASP A 125 3.053 6.867 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 125 3.329 8.917 0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 125 5.019 8.963 -0.189 1.00 0.00 H new ATOM 2039 N ALA A 126 6.361 6.823 -1.217 1.00 0.00 N ATOM 2040 CA ALA A 126 7.534 6.533 -2.038 1.00 0.00 C ATOM 2041 C ALA A 126 7.517 5.098 -2.562 1.00 0.00 C ATOM 2042 O ALA A 126 7.986 4.825 -3.667 1.00 0.00 O ATOM 2043 CB ALA A 126 8.805 6.788 -1.243 1.00 0.00 C ATOM 0 H ALA A 126 6.577 7.073 -0.252 1.00 0.00 H new ATOM 0 HA ALA A 126 7.509 7.199 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.673 6.569 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.836 7.832 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 126 8.818 6.146 -0.362 1.00 0.00 H new ATOM 2049 N LEU A 127 6.971 4.185 -1.771 1.00 0.00 N ATOM 2050 CA LEU A 127 6.941 2.781 -2.148 1.00 0.00 C ATOM 2051 C LEU A 127 5.779 2.478 -3.096 1.00 0.00 C ATOM 2052 O LEU A 127 5.947 1.757 -4.078 1.00 0.00 O ATOM 2053 CB LEU A 127 6.854 1.899 -0.902 1.00 0.00 C ATOM 2054 CG LEU A 127 8.045 2.001 0.052 1.00 0.00 C ATOM 2055 CD1 LEU A 127 7.840 1.100 1.257 1.00 0.00 C ATOM 2056 CD2 LEU A 127 9.336 1.640 -0.667 1.00 0.00 C ATOM 0 H LEU A 127 6.545 4.391 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 127 7.868 2.559 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.948 2.159 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.750 0.861 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 127 8.120 3.031 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.697 1.185 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 127 6.936 1.401 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.740 0.066 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 127 10.173 1.718 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.270 0.619 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 127 9.491 2.324 -1.501 1.00 0.00 H new ATOM 2068 N VAL A 128 4.605 3.035 -2.809 1.00 0.00 N ATOM 2069 CA VAL A 128 3.420 2.779 -3.628 1.00 0.00 C ATOM 2070 C VAL A 128 3.495 3.535 -4.955 1.00 0.00 C ATOM 2071 O VAL A 128 3.071 3.034 -5.997 1.00 0.00 O ATOM 2072 CB VAL A 128 2.115 3.164 -2.890 1.00 0.00 C ATOM 2073 CG1 VAL A 128 0.901 2.924 -3.774 1.00 0.00 C ATOM 2074 CG2 VAL A 128 1.980 2.385 -1.591 1.00 0.00 C ATOM 0 H VAL A 128 4.448 3.663 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 128 3.401 1.707 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 128 2.166 4.227 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -0.004 3.202 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 128 0.984 3.528 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.852 1.870 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.056 2.672 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.959 1.317 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.828 2.607 -0.944 1.00 0.00 H new ATOM 2084 N ASP A 129 4.057 4.736 -4.915 1.00 0.00 N ATOM 2085 CA ASP A 129 4.162 5.572 -6.108 1.00 0.00 C ATOM 2086 C ASP A 129 5.444 5.242 -6.878 1.00 0.00 C ATOM 2087 O ASP A 129 5.879 5.983 -7.763 1.00 0.00 O ATOM 2088 CB ASP A 129 4.114 7.054 -5.715 1.00 0.00 C ATOM 2089 CG ASP A 129 4.045 7.989 -6.906 1.00 0.00 C ATOM 2090 OD1 ASP A 129 3.215 7.756 -7.811 1.00 0.00 O ATOM 2091 OD2 ASP A 129 4.805 8.983 -6.925 1.00 0.00 O ATOM 0 H ASP A 129 4.448 5.155 -4.071 1.00 0.00 H new ATOM 0 HA ASP A 129 3.317 5.367 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 129 3.247 7.225 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.998 7.295 -5.124 1.00 0.00 H new ATOM 2096 N SER A 130 6.042 4.111 -6.539 1.00 0.00 N ATOM 2097 CA SER A 130 7.180 3.601 -7.276 1.00 0.00 C ATOM 2098 C SER A 130 6.704 3.061 -8.620 1.00 0.00 C ATOM 2099 O SER A 130 6.067 2.005 -8.691 1.00 0.00 O ATOM 2100 CB SER A 130 7.889 2.506 -6.474 1.00 0.00 C ATOM 2101 OG SER A 130 8.999 1.976 -7.182 1.00 0.00 O ATOM 0 H SER A 130 5.754 3.528 -5.753 1.00 0.00 H new ATOM 0 HA SER A 130 7.894 4.407 -7.446 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.225 2.913 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.185 1.705 -6.248 1.00 0.00 H new ATOM 0 HG SER A 130 9.430 1.281 -6.642 1.00 0.00 H new ATOM 2107 N GLN A 131 6.998 3.798 -9.683 1.00 0.00 N ATOM 2108 CA GLN A 131 6.547 3.427 -11.016 1.00 0.00 C ATOM 2109 C GLN A 131 7.243 2.162 -11.503 1.00 0.00 C ATOM 2110 O GLN A 131 6.845 1.578 -12.504 1.00 0.00 O ATOM 2111 CB GLN A 131 6.761 4.582 -11.997 1.00 0.00 C ATOM 2112 CG GLN A 131 5.872 5.782 -11.704 1.00 0.00 C ATOM 2113 CD GLN A 131 4.387 5.460 -11.808 1.00 0.00 C ATOM 2114 OE1 GLN A 131 3.568 6.025 -11.084 1.00 0.00 O ATOM 2115 NE2 GLN A 131 4.027 4.566 -12.719 1.00 0.00 N ATOM 0 H GLN A 131 7.547 4.657 -9.647 1.00 0.00 H new ATOM 0 HA GLN A 131 5.479 3.216 -10.963 1.00 0.00 H new ATOM 0 HB2 GLN A 131 7.805 4.893 -11.962 1.00 0.00 H new ATOM 0 HB3 GLN A 131 6.567 4.231 -13.011 1.00 0.00 H new ATOM 0 HG2 GLN A 131 6.089 6.152 -10.702 1.00 0.00 H new ATOM 0 HG3 GLN A 131 6.114 6.585 -12.400 1.00 0.00 H new ATOM 0 HE21 GLN A 131 4.734 4.118 -13.301 1.00 0.00 H new ATOM 0 HE22 GLN A 131 3.043 4.326 -12.837 1.00 0.00 H new ATOM 2124 N GLU A 132 8.284 1.752 -10.794 1.00 0.00 N ATOM 2125 CA GLU A 132 8.928 0.470 -11.041 1.00 0.00 C ATOM 2126 C GLU A 132 7.953 -0.653 -10.711 1.00 0.00 C ATOM 2127 O GLU A 132 7.694 -1.541 -11.524 1.00 0.00 O ATOM 2128 CB GLU A 132 10.188 0.347 -10.181 1.00 0.00 C ATOM 2129 CG GLU A 132 10.890 -0.996 -10.286 1.00 0.00 C ATOM 2130 CD GLU A 132 12.017 -1.127 -9.283 1.00 0.00 C ATOM 2131 OE1 GLU A 132 11.747 -1.039 -8.069 1.00 0.00 O ATOM 2132 OE2 GLU A 132 13.178 -1.304 -9.698 1.00 0.00 O ATOM 0 H GLU A 132 8.703 2.293 -10.038 1.00 0.00 H new ATOM 0 HA GLU A 132 9.215 0.400 -12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.887 1.132 -10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 132 9.921 0.523 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 132 10.167 -1.796 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 132 11.286 -1.121 -11.294 1.00 0.00 H new ATOM 2139 N TYR A 133 7.388 -0.579 -9.513 1.00 0.00 N ATOM 2140 CA TYR A 133 6.414 -1.559 -9.055 1.00 0.00 C ATOM 2141 C TYR A 133 5.138 -1.454 -9.887 1.00 0.00 C ATOM 2142 O TYR A 133 4.552 -2.463 -10.287 1.00 0.00 O ATOM 2143 CB TYR A 133 6.105 -1.318 -7.574 1.00 0.00 C ATOM 2144 CG TYR A 133 5.303 -2.417 -6.907 1.00 0.00 C ATOM 2145 CD1 TYR A 133 3.913 -2.420 -6.950 1.00 0.00 C ATOM 2146 CD2 TYR A 133 5.942 -3.446 -6.225 1.00 0.00 C ATOM 2147 CE1 TYR A 133 3.184 -3.418 -6.331 1.00 0.00 C ATOM 2148 CE2 TYR A 133 5.220 -4.444 -5.604 1.00 0.00 C ATOM 2149 CZ TYR A 133 3.843 -4.426 -5.660 1.00 0.00 C ATOM 2150 OH TYR A 133 3.124 -5.419 -5.041 1.00 0.00 O ATOM 0 H TYR A 133 7.590 0.157 -8.836 1.00 0.00 H new ATOM 0 HA TYR A 133 6.825 -2.562 -9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 133 7.045 -1.195 -7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 133 5.559 -0.380 -7.479 1.00 0.00 H new ATOM 0 HD1 TYR A 133 3.395 -1.631 -7.475 1.00 0.00 H new ATOM 0 HD2 TYR A 133 7.021 -3.464 -6.181 1.00 0.00 H new ATOM 0 HE1 TYR A 133 2.105 -3.408 -6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 133 5.731 -5.236 -5.076 1.00 0.00 H new ATOM 0 HH TYR A 133 3.739 -6.051 -4.615 1.00 0.00 H new ATOM 2160 N ALA A 134 4.734 -0.218 -10.166 1.00 0.00 N ATOM 2161 CA ALA A 134 3.519 0.051 -10.927 1.00 0.00 C ATOM 2162 C ALA A 134 3.648 -0.403 -12.379 1.00 0.00 C ATOM 2163 O ALA A 134 2.645 -0.639 -13.051 1.00 0.00 O ATOM 2164 CB ALA A 134 3.183 1.533 -10.869 1.00 0.00 C ATOM 0 H ALA A 134 5.236 0.620 -9.873 1.00 0.00 H new ATOM 0 HA ALA A 134 2.710 -0.521 -10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.274 1.723 -11.440 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.028 1.831 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.005 2.109 -11.293 1.00 0.00 H new ATOM 2170 N ASP A 135 4.875 -0.489 -12.873 1.00 0.00 N ATOM 2171 CA ASP A 135 5.115 -0.998 -14.222 1.00 0.00 C ATOM 2172 C ASP A 135 5.191 -2.519 -14.228 1.00 0.00 C ATOM 2173 O ASP A 135 4.558 -3.183 -15.051 1.00 0.00 O ATOM 2174 CB ASP A 135 6.405 -0.417 -14.805 1.00 0.00 C ATOM 2175 CG ASP A 135 6.651 -0.883 -16.224 1.00 0.00 C ATOM 2176 OD1 ASP A 135 6.018 -0.332 -17.150 1.00 0.00 O ATOM 2177 OD2 ASP A 135 7.481 -1.789 -16.423 1.00 0.00 O ATOM 0 H ASP A 135 5.717 -0.216 -12.366 1.00 0.00 H new ATOM 0 HA ASP A 135 4.275 -0.686 -14.842 1.00 0.00 H new ATOM 0 HB2 ASP A 135 6.353 0.672 -14.786 1.00 0.00 H new ATOM 0 HB3 ASP A 135 7.248 -0.707 -14.178 1.00 0.00 H new ATOM 2182 N TYR A 136 5.975 -3.063 -13.306 1.00 0.00 N ATOM 2183 CA TYR A 136 6.221 -4.497 -13.249 1.00 0.00 C ATOM 2184 C TYR A 136 4.948 -5.270 -12.909 1.00 0.00 C ATOM 2185 O TYR A 136 4.600 -6.237 -13.591 1.00 0.00 O ATOM 2186 CB TYR A 136 7.308 -4.797 -12.214 1.00 0.00 C ATOM 2187 CG TYR A 136 7.926 -6.170 -12.352 1.00 0.00 C ATOM 2188 CD1 TYR A 136 8.972 -6.388 -13.238 1.00 0.00 C ATOM 2189 CD2 TYR A 136 7.470 -7.244 -11.598 1.00 0.00 C ATOM 2190 CE1 TYR A 136 9.546 -7.638 -13.372 1.00 0.00 C ATOM 2191 CE2 TYR A 136 8.040 -8.498 -11.724 1.00 0.00 C ATOM 2192 CZ TYR A 136 9.076 -8.691 -12.613 1.00 0.00 C ATOM 2193 OH TYR A 136 9.650 -9.936 -12.742 1.00 0.00 O ATOM 0 H TYR A 136 6.454 -2.527 -12.582 1.00 0.00 H new ATOM 0 HA TYR A 136 6.556 -4.821 -14.234 1.00 0.00 H new ATOM 0 HB2 TYR A 136 8.093 -4.046 -12.299 1.00 0.00 H new ATOM 0 HB3 TYR A 136 6.881 -4.700 -11.216 1.00 0.00 H new ATOM 0 HD1 TYR A 136 9.344 -5.567 -13.833 1.00 0.00 H new ATOM 0 HD2 TYR A 136 6.657 -7.097 -10.902 1.00 0.00 H new ATOM 0 HE1 TYR A 136 10.358 -7.790 -14.067 1.00 0.00 H new ATOM 0 HE2 TYR A 136 7.675 -9.322 -11.129 1.00 0.00 H new ATOM 0 HH TYR A 136 9.205 -10.566 -12.137 1.00 0.00 H new ATOM 2203 N PHE A 137 4.256 -4.848 -11.858 1.00 0.00 N ATOM 2204 CA PHE A 137 3.040 -5.528 -11.430 1.00 0.00 C ATOM 2205 C PHE A 137 1.806 -4.810 -11.953 1.00 0.00 C ATOM 2206 O PHE A 137 0.854 -5.442 -12.410 1.00 0.00 O ATOM 2207 CB PHE A 137 2.980 -5.620 -9.903 1.00 0.00 C ATOM 2208 CG PHE A 137 4.029 -6.515 -9.312 1.00 0.00 C ATOM 2209 CD1 PHE A 137 3.802 -7.875 -9.186 1.00 0.00 C ATOM 2210 CD2 PHE A 137 5.239 -5.997 -8.878 1.00 0.00 C ATOM 2211 CE1 PHE A 137 4.762 -8.702 -8.640 1.00 0.00 C ATOM 2212 CE2 PHE A 137 6.204 -6.819 -8.330 1.00 0.00 C ATOM 2213 CZ PHE A 137 5.964 -8.173 -8.211 1.00 0.00 C ATOM 0 H PHE A 137 4.514 -4.042 -11.289 1.00 0.00 H new ATOM 0 HA PHE A 137 3.059 -6.537 -11.843 1.00 0.00 H new ATOM 0 HB2 PHE A 137 3.089 -4.620 -9.483 1.00 0.00 H new ATOM 0 HB3 PHE A 137 1.996 -5.984 -9.608 1.00 0.00 H new ATOM 0 HD1 PHE A 137 2.863 -8.293 -9.519 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.430 -4.938 -8.969 1.00 0.00 H new ATOM 0 HE1 PHE A 137 4.574 -9.762 -8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 137 7.143 -6.404 -7.996 1.00 0.00 H new ATOM 0 HZ PHE A 137 6.716 -8.819 -7.782 1.00 0.00 H new ATOM 2223 N GLY A 138 1.833 -3.489 -11.898 1.00 0.00 N ATOM 2224 CA GLY A 138 0.702 -2.709 -12.350 1.00 0.00 C ATOM 2225 C GLY A 138 -0.052 -2.081 -11.199 1.00 0.00 C ATOM 2226 O GLY A 138 -0.147 -2.669 -10.123 1.00 0.00 O ATOM 0 H GLY A 138 2.619 -2.942 -11.548 1.00 0.00 H new ATOM 0 HA2 GLY A 138 1.048 -1.927 -13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 138 0.027 -3.347 -12.920 1.00 0.00 H new ATOM 2230 N GLU A 139 -0.601 -0.893 -11.424 1.00 0.00 N ATOM 2231 CA GLU A 139 -1.348 -0.188 -10.387 1.00 0.00 C ATOM 2232 C GLU A 139 -2.741 -0.789 -10.222 1.00 0.00 C ATOM 2233 O GLU A 139 -3.504 -0.394 -9.341 1.00 0.00 O ATOM 2234 CB GLU A 139 -1.450 1.304 -10.708 1.00 0.00 C ATOM 2235 CG GLU A 139 -2.225 1.623 -11.975 1.00 0.00 C ATOM 2236 CD GLU A 139 -2.482 3.108 -12.129 1.00 0.00 C ATOM 2237 OE1 GLU A 139 -1.622 3.810 -12.698 1.00 0.00 O ATOM 2238 OE2 GLU A 139 -3.550 3.579 -11.676 1.00 0.00 O ATOM 0 H GLU A 139 -0.544 -0.398 -12.314 1.00 0.00 H new ATOM 0 HA GLU A 139 -0.807 -0.302 -9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.925 1.812 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.444 1.713 -10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.669 1.260 -12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -3.176 1.091 -11.961 1.00 0.00 H new ATOM 2245 N GLU A 140 -3.060 -1.740 -11.089 1.00 0.00 N ATOM 2246 CA GLU A 140 -4.317 -2.471 -11.014 1.00 0.00 C ATOM 2247 C GLU A 140 -4.182 -3.623 -10.027 1.00 0.00 C ATOM 2248 O GLU A 140 -5.171 -4.193 -9.569 1.00 0.00 O ATOM 2249 CB GLU A 140 -4.675 -3.034 -12.391 1.00 0.00 C ATOM 2250 CG GLU A 140 -4.590 -2.016 -13.515 1.00 0.00 C ATOM 2251 CD GLU A 140 -4.706 -2.663 -14.880 1.00 0.00 C ATOM 2252 OE1 GLU A 140 -3.727 -3.298 -15.325 1.00 0.00 O ATOM 2253 OE2 GLU A 140 -5.773 -2.546 -15.512 1.00 0.00 O ATOM 0 H GLU A 140 -2.458 -2.026 -11.861 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.102 -1.791 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.008 -3.866 -12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.687 -3.437 -12.356 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.383 -1.278 -13.396 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.643 -1.480 -13.448 1.00 0.00 H new ATOM 2260 N THR A 141 -2.939 -3.936 -9.698 1.00 0.00 N ATOM 2261 CA THR A 141 -2.602 -5.135 -8.956 1.00 0.00 C ATOM 2262 C THR A 141 -2.598 -4.902 -7.449 1.00 0.00 C ATOM 2263 O THR A 141 -2.164 -3.854 -6.969 1.00 0.00 O ATOM 2264 CB THR A 141 -1.216 -5.636 -9.403 1.00 0.00 C ATOM 2265 OG1 THR A 141 -1.243 -5.901 -10.811 1.00 0.00 O ATOM 2266 CG2 THR A 141 -0.800 -6.893 -8.652 1.00 0.00 C ATOM 0 H THR A 141 -2.133 -3.360 -9.941 1.00 0.00 H new ATOM 0 HA THR A 141 -3.367 -5.882 -9.168 1.00 0.00 H new ATOM 0 HB THR A 141 -0.485 -4.860 -9.178 1.00 0.00 H new ATOM 0 HG1 THR A 141 -0.330 -5.878 -11.166 1.00 0.00 H new ATOM 0 HG21 THR A 141 0.183 -7.214 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 141 -0.759 -6.682 -7.583 1.00 0.00 H new ATOM 0 HG23 THR A 141 -1.526 -7.685 -8.838 1.00 0.00 H new ATOM 2274 N VAL A 142 -3.100 -5.887 -6.717 1.00 0.00 N ATOM 2275 CA VAL A 142 -3.014 -5.892 -5.267 1.00 0.00 C ATOM 2276 C VAL A 142 -1.732 -6.599 -4.837 1.00 0.00 C ATOM 2277 O VAL A 142 -1.510 -7.755 -5.208 1.00 0.00 O ATOM 2278 CB VAL A 142 -4.221 -6.614 -4.632 1.00 0.00 C ATOM 2279 CG1 VAL A 142 -4.160 -6.548 -3.114 1.00 0.00 C ATOM 2280 CG2 VAL A 142 -5.527 -6.035 -5.146 1.00 0.00 C ATOM 0 H VAL A 142 -3.575 -6.699 -7.110 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.013 -4.856 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 142 -4.176 -7.663 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -5.022 -7.064 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -3.245 -7.026 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.169 -5.506 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -6.364 -6.559 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -5.579 -4.976 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -5.577 -6.154 -6.228 1.00 0.00 H new ATOM 2290 N PRO A 143 -0.862 -5.905 -4.086 1.00 0.00 N ATOM 2291 CA PRO A 143 0.383 -6.482 -3.571 1.00 0.00 C ATOM 2292 C PRO A 143 0.135 -7.767 -2.786 1.00 0.00 C ATOM 2293 O PRO A 143 -0.461 -7.747 -1.707 1.00 0.00 O ATOM 2294 CB PRO A 143 0.951 -5.391 -2.652 1.00 0.00 C ATOM 2295 CG PRO A 143 -0.152 -4.403 -2.467 1.00 0.00 C ATOM 2296 CD PRO A 143 -1.011 -4.500 -3.692 1.00 0.00 C ATOM 0 HA PRO A 143 1.062 -6.759 -4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 143 1.266 -5.809 -1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.827 -4.920 -3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.728 -4.626 -1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.245 -3.395 -2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -2.050 -4.248 -3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.674 -3.822 -4.477 1.00 0.00 H new