USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot -135:sc= 0.752 USER MOD Set 2.1: A 22 SER OG : rot 147:sc= 0.898 USER MOD Set 2.2: A 49 LYS NZ :NH3+ 177:sc= 0.957 (180deg=-0.186) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0444 (180deg=-0.274) USER MOD Single : A 31 GLN : amide:sc= 1.09 K(o=1.1,f=-0.47) USER MOD Single : A 32 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.014) USER MOD Single : A 36 SER OG : rot 78:sc= 0.449 USER MOD Single : A 38 SER OG : rot -156:sc= 0.39 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.063) USER MOD Single : A 46 TYR OH : rot 107:sc= -2.7! USER MOD Single : A 50 SER OG : rot -73:sc= 0.994 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.206 K(o=0.21,f=-1.3) USER MOD Single : A 64 SER OG : rot 180:sc= -0.172 USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= 2.24 (180deg=0.959) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.56! C(o=-2.5!,f=-1.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= 0.638 (180deg=-0.585) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.24 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -12.973 -0.071 -3.646 1.00 13.22 N ATOM 282 CA LEU A 19 -12.340 -0.813 -2.548 1.00 71.13 C ATOM 283 C LEU A 19 -12.647 -0.168 -1.189 1.00 72.13 C ATOM 284 O LEU A 19 -12.916 1.028 -1.106 1.00 63.33 O ATOM 285 CB LEU A 19 -10.821 -0.886 -2.763 1.00 73.53 C ATOM 286 CG LEU A 19 -10.371 -1.703 -3.983 1.00 44.11 C ATOM 287 CD1 LEU A 19 -8.864 -1.585 -4.195 1.00 54.33 C ATOM 288 CD2 LEU A 19 -10.776 -3.168 -3.821 1.00 72.53 C ATOM 0 HA LEU A 19 -12.752 -1.822 -2.545 1.00 71.13 H new ATOM 0 HB2 LEU A 19 -10.435 0.129 -2.863 1.00 73.53 H new ATOM 0 HB3 LEU A 19 -10.364 -1.314 -1.871 1.00 73.53 H new ATOM 0 HG LEU A 19 -10.868 -1.299 -4.865 1.00 44.11 H new ATOM 0 HD11 LEU A 19 -8.572 -2.173 -5.065 1.00 54.33 H new ATOM 0 HD12 LEU A 19 -8.600 -0.540 -4.358 1.00 54.33 H new ATOM 0 HD13 LEU A 19 -8.342 -1.958 -3.314 1.00 54.33 H new ATOM 0 HD21 LEU A 19 -10.450 -3.734 -4.694 1.00 72.53 H new ATOM 0 HD22 LEU A 19 -10.307 -3.578 -2.926 1.00 72.53 H new ATOM 0 HD23 LEU A 19 -11.860 -3.238 -3.727 1.00 72.53 H new ATOM 300 N LYS A 20 -12.625 -0.976 -0.129 1.00 24.51 N ATOM 301 CA LYS A 20 -12.835 -0.470 1.237 1.00 4.33 C ATOM 302 C LYS A 20 -11.501 -0.358 1.997 1.00 22.31 C ATOM 303 O LYS A 20 -10.860 -1.368 2.298 1.00 64.13 O ATOM 304 CB LYS A 20 -13.808 -1.376 2.022 1.00 41.14 C ATOM 305 CG LYS A 20 -15.299 -1.167 1.707 1.00 75.12 C ATOM 306 CD LYS A 20 -15.887 -2.270 0.816 1.00 53.12 C ATOM 307 CE LYS A 20 -15.545 -2.076 -0.658 1.00 33.40 C ATOM 308 NZ LYS A 20 -16.190 -0.860 -1.232 1.00 30.53 N ATOM 0 H LYS A 20 -12.465 -1.982 -0.184 1.00 24.51 H new ATOM 0 HA LYS A 20 -13.274 0.524 1.151 1.00 4.33 H new ATOM 0 HB2 LYS A 20 -13.553 -2.416 1.820 1.00 41.14 H new ATOM 0 HB3 LYS A 20 -13.652 -1.211 3.088 1.00 41.14 H new ATOM 0 HG2 LYS A 20 -15.859 -1.126 2.641 1.00 75.12 H new ATOM 0 HG3 LYS A 20 -15.429 -0.203 1.215 1.00 75.12 H new ATOM 0 HD2 LYS A 20 -15.513 -3.238 1.148 1.00 53.12 H new ATOM 0 HD3 LYS A 20 -16.970 -2.289 0.935 1.00 53.12 H new ATOM 0 HE2 LYS A 20 -14.464 -1.999 -0.771 1.00 33.40 H new ATOM 0 HE3 LYS A 20 -15.863 -2.954 -1.221 1.00 33.40 H new ATOM 0 HZ1 LYS A 20 -16.176 -0.917 -2.270 1.00 30.53 H new ATOM 0 HZ2 LYS A 20 -17.174 -0.800 -0.902 1.00 30.53 H new ATOM 0 HZ3 LYS A 20 -15.670 -0.013 -0.925 1.00 30.53 H new ATOM 322 N PHE A 21 -11.096 0.876 2.299 1.00 73.22 N ATOM 323 CA PHE A 21 -9.852 1.146 3.040 1.00 42.24 C ATOM 324 C PHE A 21 -10.027 0.914 4.552 1.00 1.44 C ATOM 325 O PHE A 21 -10.762 1.639 5.211 1.00 1.43 O ATOM 326 CB PHE A 21 -9.409 2.596 2.777 1.00 50.32 C ATOM 327 CG PHE A 21 -8.201 3.031 3.571 1.00 22.03 C ATOM 328 CD1 PHE A 21 -6.921 2.704 3.148 1.00 63.24 C ATOM 329 CD2 PHE A 21 -8.345 3.769 4.739 1.00 11.22 C ATOM 330 CE1 PHE A 21 -5.813 3.097 3.876 1.00 11.13 C ATOM 331 CE2 PHE A 21 -7.241 4.164 5.469 1.00 25.50 C ATOM 332 CZ PHE A 21 -5.973 3.830 5.035 1.00 73.25 C ATOM 0 H PHE A 21 -11.614 1.716 2.041 1.00 73.22 H new ATOM 0 HA PHE A 21 -9.088 0.453 2.689 1.00 42.24 H new ATOM 0 HB2 PHE A 21 -9.191 2.710 1.715 1.00 50.32 H new ATOM 0 HB3 PHE A 21 -10.239 3.264 3.006 1.00 50.32 H new ATOM 0 HD1 PHE A 21 -6.788 2.136 2.239 1.00 63.24 H new ATOM 0 HD2 PHE A 21 -9.334 4.038 5.081 1.00 11.22 H new ATOM 0 HE1 PHE A 21 -4.822 2.831 3.538 1.00 11.13 H new ATOM 0 HE2 PHE A 21 -7.369 4.733 6.378 1.00 25.50 H new ATOM 0 HZ PHE A 21 -5.108 4.142 5.601 1.00 73.25 H new ATOM 342 N SER A 22 -9.350 -0.098 5.101 1.00 3.42 N ATOM 343 CA SER A 22 -9.440 -0.389 6.543 1.00 70.22 C ATOM 344 C SER A 22 -8.219 0.139 7.312 1.00 4.34 C ATOM 345 O SER A 22 -8.357 0.961 8.215 1.00 14.21 O ATOM 346 CB SER A 22 -9.586 -1.898 6.787 1.00 15.41 C ATOM 347 OG SER A 22 -8.461 -2.614 6.299 1.00 64.30 O ATOM 0 H SER A 22 -8.739 -0.726 4.580 1.00 3.42 H new ATOM 0 HA SER A 22 -10.326 0.126 6.915 1.00 70.22 H new ATOM 0 HB2 SER A 22 -9.703 -2.086 7.854 1.00 15.41 H new ATOM 0 HB3 SER A 22 -10.490 -2.261 6.298 1.00 15.41 H new ATOM 0 HG SER A 22 -8.295 -3.392 6.871 1.00 64.30 H new ATOM 353 N ALA A 23 -7.024 -0.341 6.960 1.00 2.35 N ATOM 354 CA ALA A 23 -5.799 0.068 7.663 1.00 23.51 C ATOM 355 C ALA A 23 -4.527 -0.142 6.822 1.00 42.24 C ATOM 356 O ALA A 23 -4.568 -0.703 5.725 1.00 42.12 O ATOM 357 CB ALA A 23 -5.684 -0.683 8.987 1.00 24.13 C ATOM 0 H ALA A 23 -6.876 -1.006 6.201 1.00 2.35 H new ATOM 0 HA ALA A 23 -5.880 1.139 7.849 1.00 23.51 H new ATOM 0 HB1 ALA A 23 -4.774 -0.375 9.502 1.00 24.13 H new ATOM 0 HB2 ALA A 23 -6.549 -0.456 9.610 1.00 24.13 H new ATOM 0 HB3 ALA A 23 -5.647 -1.755 8.795 1.00 24.13 H new ATOM 363 N LEU A 24 -3.400 0.327 7.358 1.00 23.33 N ATOM 364 CA LEU A 24 -2.088 0.177 6.717 1.00 55.14 C ATOM 365 C LEU A 24 -1.374 -1.094 7.213 1.00 73.42 C ATOM 366 O LEU A 24 -1.035 -1.205 8.394 1.00 21.15 O ATOM 367 CB LEU A 24 -1.230 1.418 7.013 1.00 4.02 C ATOM 368 CG LEU A 24 0.211 1.386 6.476 1.00 63.41 C ATOM 369 CD1 LEU A 24 0.236 1.371 4.951 1.00 30.23 C ATOM 370 CD2 LEU A 24 1.004 2.569 7.020 1.00 24.12 C ATOM 0 H LEU A 24 -3.368 0.822 8.249 1.00 23.33 H new ATOM 0 HA LEU A 24 -2.233 0.082 5.641 1.00 55.14 H new ATOM 0 HB2 LEU A 24 -1.733 2.291 6.596 1.00 4.02 H new ATOM 0 HB3 LEU A 24 -1.191 1.559 8.093 1.00 4.02 H new ATOM 0 HG LEU A 24 0.680 0.464 6.820 1.00 63.41 H new ATOM 0 HD11 LEU A 24 1.269 1.348 4.604 1.00 30.23 H new ATOM 0 HD12 LEU A 24 -0.288 0.487 4.587 1.00 30.23 H new ATOM 0 HD13 LEU A 24 -0.255 2.267 4.570 1.00 30.23 H new ATOM 0 HD21 LEU A 24 2.022 2.534 6.632 1.00 24.12 H new ATOM 0 HD22 LEU A 24 0.529 3.499 6.709 1.00 24.12 H new ATOM 0 HD23 LEU A 24 1.029 2.521 8.109 1.00 24.12 H new ATOM 382 N ARG A 25 -1.129 -2.035 6.304 1.00 72.24 N ATOM 383 CA ARG A 25 -0.581 -3.351 6.666 1.00 11.23 C ATOM 384 C ARG A 25 0.900 -3.275 7.088 1.00 25.43 C ATOM 385 O ARG A 25 1.272 -3.733 8.169 1.00 53.33 O ATOM 386 CB ARG A 25 -0.736 -4.330 5.488 1.00 70.44 C ATOM 387 CG ARG A 25 -0.483 -5.788 5.859 1.00 65.41 C ATOM 388 CD ARG A 25 -1.455 -6.252 6.935 1.00 51.33 C ATOM 389 NE ARG A 25 -1.338 -7.673 7.245 1.00 64.04 N ATOM 390 CZ ARG A 25 -2.239 -8.334 7.913 1.00 3.32 C ATOM 391 NH1 ARG A 25 -3.349 -7.756 8.264 1.00 52.13 N ATOM 392 NH2 ARG A 25 -2.048 -9.584 8.198 1.00 70.43 N ATOM 0 H ARG A 25 -1.300 -1.915 5.306 1.00 72.24 H new ATOM 0 HA ARG A 25 -1.148 -3.710 7.525 1.00 11.23 H new ATOM 0 HB2 ARG A 25 -1.743 -4.238 5.082 1.00 70.44 H new ATOM 0 HB3 ARG A 25 -0.045 -4.042 4.695 1.00 70.44 H new ATOM 0 HG2 ARG A 25 -0.587 -6.416 4.974 1.00 65.41 H new ATOM 0 HG3 ARG A 25 0.541 -5.905 6.214 1.00 65.41 H new ATOM 0 HD2 ARG A 25 -1.284 -5.674 7.843 1.00 51.33 H new ATOM 0 HD3 ARG A 25 -2.474 -6.041 6.610 1.00 51.33 H new ATOM 0 HE ARG A 25 -0.510 -8.173 6.922 1.00 64.04 H new ATOM 0 HH11 ARG A 25 -3.517 -6.781 8.016 1.00 52.13 H new ATOM 0 HH12 ARG A 25 -4.052 -8.278 8.787 1.00 52.13 H new ATOM 0 HH21 ARG A 25 -1.191 -10.050 7.899 1.00 70.43 H new ATOM 0 HH22 ARG A 25 -2.754 -10.101 8.721 1.00 70.43 H new ATOM 406 N ARG A 26 1.740 -2.706 6.226 1.00 31.20 N ATOM 407 CA ARG A 26 3.186 -2.629 6.487 1.00 75.25 C ATOM 408 C ARG A 26 3.883 -1.621 5.561 1.00 1.22 C ATOM 409 O ARG A 26 3.487 -1.436 4.410 1.00 21.20 O ATOM 410 CB ARG A 26 3.831 -4.026 6.332 1.00 40.30 C ATOM 411 CG ARG A 26 5.344 -4.000 6.093 1.00 31.33 C ATOM 412 CD ARG A 26 5.960 -5.394 6.133 1.00 3.41 C ATOM 413 NE ARG A 26 6.153 -5.861 7.505 1.00 14.13 N ATOM 414 CZ ARG A 26 6.030 -7.103 7.891 1.00 10.44 C ATOM 415 NH1 ARG A 26 5.668 -8.024 7.054 1.00 65.01 N ATOM 416 NH2 ARG A 26 6.269 -7.420 9.123 1.00 54.24 N ATOM 0 H ARG A 26 1.450 -2.291 5.341 1.00 31.20 H new ATOM 0 HA ARG A 26 3.316 -2.281 7.512 1.00 75.25 H new ATOM 0 HB2 ARG A 26 3.627 -4.609 7.230 1.00 40.30 H new ATOM 0 HB3 ARG A 26 3.353 -4.544 5.501 1.00 40.30 H new ATOM 0 HG2 ARG A 26 5.549 -3.542 5.125 1.00 31.33 H new ATOM 0 HG3 ARG A 26 5.818 -3.374 6.849 1.00 31.33 H new ATOM 0 HD2 ARG A 26 5.316 -6.092 5.598 1.00 3.41 H new ATOM 0 HD3 ARG A 26 6.918 -5.383 5.614 1.00 3.41 H new ATOM 0 HE ARG A 26 6.401 -5.168 8.211 1.00 14.13 H new ATOM 0 HH11 ARG A 26 5.476 -7.783 6.082 1.00 65.01 H new ATOM 0 HH12 ARG A 26 5.576 -8.990 7.367 1.00 65.01 H new ATOM 0 HH21 ARG A 26 6.552 -6.701 9.789 1.00 54.24 H new ATOM 0 HH22 ARG A 26 6.174 -8.389 9.428 1.00 54.24 H new ATOM 430 N GLU A 27 4.924 -0.971 6.082 1.00 64.21 N ATOM 431 CA GLU A 27 5.750 -0.053 5.294 1.00 53.34 C ATOM 432 C GLU A 27 7.175 -0.607 5.142 1.00 33.04 C ATOM 433 O GLU A 27 7.993 -0.486 6.054 1.00 4.42 O ATOM 434 CB GLU A 27 5.807 1.326 5.970 1.00 42.03 C ATOM 435 CG GLU A 27 4.440 1.952 6.231 1.00 60.32 C ATOM 436 CD GLU A 27 4.535 3.283 6.962 1.00 63.10 C ATOM 437 OE1 GLU A 27 4.578 3.278 8.212 1.00 61.12 O ATOM 438 OE2 GLU A 27 4.570 4.334 6.294 1.00 23.41 O ATOM 0 H GLU A 27 5.218 -1.064 7.054 1.00 64.21 H new ATOM 0 HA GLU A 27 5.300 0.048 4.306 1.00 53.34 H new ATOM 0 HB2 GLU A 27 6.338 1.232 6.917 1.00 42.03 H new ATOM 0 HB3 GLU A 27 6.390 2.001 5.344 1.00 42.03 H new ATOM 0 HG2 GLU A 27 3.925 2.099 5.282 1.00 60.32 H new ATOM 0 HG3 GLU A 27 3.835 1.262 6.818 1.00 60.32 H new ATOM 445 N VAL A 28 7.472 -1.225 3.999 1.00 63.21 N ATOM 446 CA VAL A 28 8.803 -1.791 3.772 1.00 53.54 C ATOM 447 C VAL A 28 9.839 -0.675 3.558 1.00 70.34 C ATOM 448 O VAL A 28 9.716 0.149 2.649 1.00 1.33 O ATOM 449 CB VAL A 28 8.828 -2.785 2.579 1.00 44.43 C ATOM 450 CG1 VAL A 28 7.955 -4.003 2.876 1.00 34.24 C ATOM 451 CG2 VAL A 28 8.389 -2.110 1.281 1.00 53.34 C ATOM 0 H VAL A 28 6.819 -1.346 3.225 1.00 63.21 H new ATOM 0 HA VAL A 28 9.064 -2.354 4.668 1.00 53.54 H new ATOM 0 HB VAL A 28 9.857 -3.120 2.446 1.00 44.43 H new ATOM 0 HG11 VAL A 28 7.985 -4.688 2.028 1.00 34.24 H new ATOM 0 HG12 VAL A 28 8.328 -4.510 3.766 1.00 34.24 H new ATOM 0 HG13 VAL A 28 6.927 -3.681 3.046 1.00 34.24 H new ATOM 0 HG21 VAL A 28 8.418 -2.834 0.467 1.00 53.34 H new ATOM 0 HG22 VAL A 28 7.373 -1.731 1.393 1.00 53.34 H new ATOM 0 HG23 VAL A 28 9.062 -1.283 1.055 1.00 53.34 H new ATOM 461 N ARG A 29 10.851 -0.642 4.417 1.00 20.20 N ATOM 462 CA ARG A 29 11.834 0.440 4.413 1.00 43.43 C ATOM 463 C ARG A 29 13.115 0.060 3.659 1.00 42.45 C ATOM 464 O ARG A 29 13.361 -1.108 3.364 1.00 44.15 O ATOM 465 CB ARG A 29 12.170 0.849 5.852 1.00 64.04 C ATOM 466 CG ARG A 29 10.976 1.387 6.634 1.00 54.41 C ATOM 467 CD ARG A 29 11.366 1.780 8.055 1.00 5.35 C ATOM 468 NE ARG A 29 10.251 2.369 8.796 1.00 24.44 N ATOM 469 CZ ARG A 29 10.279 2.622 10.078 1.00 33.32 C ATOM 470 NH1 ARG A 29 11.319 2.314 10.786 1.00 12.41 N ATOM 471 NH2 ARG A 29 9.258 3.178 10.646 1.00 3.22 N ATOM 0 H ARG A 29 11.014 -1.354 5.129 1.00 20.20 H new ATOM 0 HA ARG A 29 11.387 1.284 3.887 1.00 43.43 H new ATOM 0 HB2 ARG A 29 12.579 -0.013 6.379 1.00 64.04 H new ATOM 0 HB3 ARG A 29 12.951 1.609 5.831 1.00 64.04 H new ATOM 0 HG2 ARG A 29 10.562 2.253 6.117 1.00 54.41 H new ATOM 0 HG3 ARG A 29 10.192 0.631 6.667 1.00 54.41 H new ATOM 0 HD2 ARG A 29 11.727 0.900 8.586 1.00 5.35 H new ATOM 0 HD3 ARG A 29 12.191 2.491 8.019 1.00 5.35 H new ATOM 0 HE ARG A 29 9.400 2.596 8.281 1.00 24.44 H new ATOM 0 HH11 ARG A 29 12.124 1.871 10.344 1.00 12.41 H new ATOM 0 HH12 ARG A 29 11.333 2.515 11.786 1.00 12.41 H new ATOM 0 HH21 ARG A 29 8.435 3.417 10.093 1.00 3.22 H new ATOM 0 HH22 ARG A 29 9.276 3.377 11.646 1.00 3.22 H new ATOM 485 N ILE A 30 13.928 1.069 3.360 1.00 60.24 N ATOM 486 CA ILE A 30 15.176 0.878 2.624 1.00 31.33 C ATOM 487 C ILE A 30 16.216 0.124 3.472 1.00 5.32 C ATOM 488 O ILE A 30 16.704 0.632 4.484 1.00 22.55 O ATOM 489 CB ILE A 30 15.755 2.241 2.163 1.00 34.32 C ATOM 490 CG1 ILE A 30 14.711 2.991 1.310 1.00 72.14 C ATOM 491 CG2 ILE A 30 17.059 2.044 1.382 1.00 11.44 C ATOM 492 CD1 ILE A 30 15.121 4.394 0.915 1.00 4.12 C ATOM 0 H ILE A 30 13.743 2.038 3.619 1.00 60.24 H new ATOM 0 HA ILE A 30 14.950 0.275 1.745 1.00 31.33 H new ATOM 0 HB ILE A 30 15.984 2.841 3.044 1.00 34.32 H new ATOM 0 HG12 ILE A 30 14.515 2.414 0.406 1.00 72.14 H new ATOM 0 HG13 ILE A 30 13.774 3.041 1.865 1.00 72.14 H new ATOM 0 HG21 ILE A 30 17.446 3.014 1.069 1.00 11.44 H new ATOM 0 HG22 ILE A 30 17.793 1.549 2.018 1.00 11.44 H new ATOM 0 HG23 ILE A 30 16.867 1.429 0.503 1.00 11.44 H new ATOM 0 HD11 ILE A 30 14.331 4.849 0.318 1.00 4.12 H new ATOM 0 HD12 ILE A 30 15.287 4.991 1.812 1.00 4.12 H new ATOM 0 HD13 ILE A 30 16.040 4.353 0.331 1.00 4.12 H new ATOM 504 N GLN A 31 16.532 -1.096 3.060 1.00 41.13 N ATOM 505 CA GLN A 31 17.481 -1.945 3.784 1.00 10.34 C ATOM 506 C GLN A 31 18.926 -1.657 3.336 1.00 4.43 C ATOM 507 O GLN A 31 19.262 -1.809 2.157 1.00 54.20 O ATOM 508 CB GLN A 31 17.110 -3.419 3.560 1.00 60.55 C ATOM 509 CG GLN A 31 17.853 -4.406 4.453 1.00 24.43 C ATOM 510 CD GLN A 31 17.352 -5.833 4.286 1.00 53.31 C ATOM 511 OE1 GLN A 31 16.896 -6.222 3.218 1.00 43.24 O ATOM 512 NE2 GLN A 31 17.420 -6.625 5.340 1.00 3.51 N ATOM 0 H GLN A 31 16.144 -1.527 2.221 1.00 41.13 H new ATOM 0 HA GLN A 31 17.425 -1.724 4.850 1.00 10.34 H new ATOM 0 HB2 GLN A 31 16.039 -3.539 3.722 1.00 60.55 H new ATOM 0 HB3 GLN A 31 17.305 -3.674 2.518 1.00 60.55 H new ATOM 0 HG2 GLN A 31 18.918 -4.369 4.223 1.00 24.43 H new ATOM 0 HG3 GLN A 31 17.741 -4.104 5.494 1.00 24.43 H new ATOM 0 HE21 GLN A 31 17.805 -6.275 6.217 1.00 3.51 H new ATOM 0 HE22 GLN A 31 17.088 -7.587 5.277 1.00 3.51 H new ATOM 521 N ASN A 32 19.770 -1.240 4.283 1.00 31.44 N ATOM 522 CA ASN A 32 21.147 -0.807 3.984 1.00 74.44 C ATOM 523 C ASN A 32 22.061 -1.963 3.536 1.00 41.14 C ATOM 524 O ASN A 32 21.686 -3.135 3.594 1.00 25.45 O ATOM 525 CB ASN A 32 21.772 -0.128 5.208 1.00 52.21 C ATOM 526 CG ASN A 32 21.032 1.129 5.630 1.00 4.33 C ATOM 527 OD1 ASN A 32 21.283 2.209 5.116 1.00 1.34 O ATOM 528 ND2 ASN A 32 20.134 1.003 6.585 1.00 33.35 N ATOM 0 H ASN A 32 19.526 -1.191 5.272 1.00 31.44 H new ATOM 0 HA ASN A 32 21.069 -0.105 3.154 1.00 74.44 H new ATOM 0 HB2 ASN A 32 21.785 -0.832 6.040 1.00 52.21 H new ATOM 0 HB3 ASN A 32 22.809 0.124 4.987 1.00 52.21 H new ATOM 0 HD21 ASN A 32 19.624 1.822 6.917 1.00 33.35 H new ATOM 0 HD22 ASN A 32 19.948 0.087 6.993 1.00 33.35 H new ATOM 535 N GLU A 33 23.285 -1.606 3.126 1.00 63.23 N ATOM 536 CA GLU A 33 24.279 -2.575 2.635 1.00 61.21 C ATOM 537 C GLU A 33 24.527 -3.718 3.637 1.00 21.34 C ATOM 538 O GLU A 33 24.638 -4.884 3.250 1.00 65.11 O ATOM 539 CB GLU A 33 25.599 -1.841 2.333 1.00 54.33 C ATOM 540 CG GLU A 33 26.241 -1.188 3.561 1.00 42.32 C ATOM 541 CD GLU A 33 27.380 -0.241 3.216 1.00 2.41 C ATOM 542 OE1 GLU A 33 28.528 -0.711 3.057 1.00 22.33 O ATOM 543 OE2 GLU A 33 27.137 0.982 3.124 1.00 34.13 O ATOM 0 H GLU A 33 23.615 -0.641 3.124 1.00 63.23 H new ATOM 0 HA GLU A 33 23.883 -3.028 1.726 1.00 61.21 H new ATOM 0 HB2 GLU A 33 26.306 -2.548 1.899 1.00 54.33 H new ATOM 0 HB3 GLU A 33 25.413 -1.074 1.581 1.00 54.33 H new ATOM 0 HG2 GLU A 33 25.477 -0.640 4.113 1.00 42.32 H new ATOM 0 HG3 GLU A 33 26.615 -1.968 4.224 1.00 42.32 H new ATOM 550 N ASP A 34 24.608 -3.380 4.923 1.00 14.13 N ATOM 551 CA ASP A 34 24.834 -4.371 5.983 1.00 21.21 C ATOM 552 C ASP A 34 23.675 -5.380 6.088 1.00 61.23 C ATOM 553 O ASP A 34 23.863 -6.522 6.507 1.00 72.34 O ATOM 554 CB ASP A 34 25.024 -3.648 7.327 1.00 22.52 C ATOM 555 CG ASP A 34 25.230 -4.606 8.490 1.00 13.11 C ATOM 556 OD1 ASP A 34 26.355 -5.128 8.638 1.00 12.02 O ATOM 557 OD2 ASP A 34 24.262 -4.848 9.250 1.00 51.23 O ATOM 0 H ASP A 34 24.520 -2.422 5.261 1.00 14.13 H new ATOM 0 HA ASP A 34 25.733 -4.933 5.730 1.00 21.21 H new ATOM 0 HB2 ASP A 34 25.883 -2.980 7.256 1.00 22.52 H new ATOM 0 HB3 ASP A 34 24.151 -3.026 7.526 1.00 22.52 H new ATOM 562 N GLY A 35 22.483 -4.956 5.686 1.00 15.31 N ATOM 563 CA GLY A 35 21.283 -5.755 5.914 1.00 12.02 C ATOM 564 C GLY A 35 20.368 -5.118 6.955 1.00 14.24 C ATOM 565 O GLY A 35 19.198 -5.474 7.075 1.00 25.14 O ATOM 0 H GLY A 35 22.321 -4.072 5.205 1.00 15.31 H new ATOM 0 HA2 GLY A 35 20.740 -5.872 4.976 1.00 12.02 H new ATOM 0 HA3 GLY A 35 21.569 -6.754 6.244 1.00 12.02 H new ATOM 569 N SER A 36 20.913 -4.169 7.714 1.00 3.51 N ATOM 570 CA SER A 36 20.125 -3.398 8.684 1.00 33.44 C ATOM 571 C SER A 36 19.196 -2.409 7.971 1.00 21.13 C ATOM 572 O SER A 36 19.589 -1.752 7.007 1.00 34.33 O ATOM 573 CB SER A 36 21.041 -2.644 9.653 1.00 40.14 C ATOM 574 OG SER A 36 21.845 -3.541 10.410 1.00 22.43 O ATOM 0 H SER A 36 21.900 -3.912 7.678 1.00 3.51 H new ATOM 0 HA SER A 36 19.517 -4.103 9.251 1.00 33.44 H new ATOM 0 HB2 SER A 36 21.682 -1.962 9.094 1.00 40.14 H new ATOM 0 HB3 SER A 36 20.438 -2.035 10.327 1.00 40.14 H new ATOM 0 HG SER A 36 22.586 -3.864 9.856 1.00 22.43 H new ATOM 580 N VAL A 37 17.968 -2.306 8.451 1.00 25.31 N ATOM 581 CA VAL A 37 16.945 -1.476 7.814 1.00 71.52 C ATOM 582 C VAL A 37 17.075 0.006 8.217 1.00 63.52 C ATOM 583 O VAL A 37 17.432 0.321 9.352 1.00 53.11 O ATOM 584 CB VAL A 37 15.535 -1.996 8.186 1.00 52.52 C ATOM 585 CG1 VAL A 37 14.458 -1.279 7.384 1.00 2.00 C ATOM 586 CG2 VAL A 37 15.462 -3.509 7.984 1.00 73.25 C ATOM 0 H VAL A 37 17.648 -2.791 9.289 1.00 25.31 H new ATOM 0 HA VAL A 37 17.091 -1.543 6.736 1.00 71.52 H new ATOM 0 HB VAL A 37 15.353 -1.782 9.239 1.00 52.52 H new ATOM 0 HG11 VAL A 37 13.478 -1.664 7.665 1.00 2.00 H new ATOM 0 HG12 VAL A 37 14.501 -0.210 7.591 1.00 2.00 H new ATOM 0 HG13 VAL A 37 14.623 -1.449 6.320 1.00 2.00 H new ATOM 0 HG21 VAL A 37 14.466 -3.864 8.249 1.00 73.25 H new ATOM 0 HG22 VAL A 37 15.666 -3.747 6.940 1.00 73.25 H new ATOM 0 HG23 VAL A 37 16.202 -3.997 8.619 1.00 73.25 H new ATOM 596 N SER A 38 16.789 0.915 7.281 1.00 34.23 N ATOM 597 CA SER A 38 16.845 2.362 7.559 1.00 44.31 C ATOM 598 C SER A 38 15.466 2.924 7.937 1.00 2.12 C ATOM 599 O SER A 38 14.464 2.208 7.918 1.00 54.33 O ATOM 600 CB SER A 38 17.381 3.125 6.341 1.00 52.51 C ATOM 601 OG SER A 38 17.486 4.512 6.621 1.00 13.44 O ATOM 0 H SER A 38 16.517 0.681 6.326 1.00 34.23 H new ATOM 0 HA SER A 38 17.518 2.498 8.405 1.00 44.31 H new ATOM 0 HB2 SER A 38 18.358 2.731 6.061 1.00 52.51 H new ATOM 0 HB3 SER A 38 16.719 2.971 5.489 1.00 52.51 H new ATOM 0 HG SER A 38 17.448 5.019 5.783 1.00 13.44 H new ATOM 607 N ASP A 39 15.422 4.210 8.279 1.00 61.32 N ATOM 608 CA ASP A 39 14.164 4.888 8.617 1.00 20.43 C ATOM 609 C ASP A 39 13.389 5.291 7.349 1.00 73.54 C ATOM 610 O ASP A 39 12.154 5.362 7.354 1.00 33.11 O ATOM 611 CB ASP A 39 14.444 6.123 9.478 1.00 24.35 C ATOM 612 CG ASP A 39 14.996 5.764 10.845 1.00 73.43 C ATOM 613 OD1 ASP A 39 16.208 5.478 10.953 1.00 15.35 O ATOM 614 OD2 ASP A 39 14.218 5.767 11.824 1.00 55.41 O ATOM 0 H ASP A 39 16.246 4.809 8.331 1.00 61.32 H new ATOM 0 HA ASP A 39 13.547 4.190 9.183 1.00 20.43 H new ATOM 0 HB2 ASP A 39 15.154 6.769 8.961 1.00 24.35 H new ATOM 0 HB3 ASP A 39 13.523 6.694 9.600 1.00 24.35 H new ATOM 619 N GLU A 40 14.123 5.562 6.270 1.00 40.11 N ATOM 620 CA GLU A 40 13.514 5.902 4.977 1.00 41.10 C ATOM 621 C GLU A 40 12.720 4.711 4.410 1.00 22.13 C ATOM 622 O GLU A 40 13.166 3.567 4.481 1.00 4.12 O ATOM 623 CB GLU A 40 14.592 6.343 3.969 1.00 61.24 C ATOM 624 CG GLU A 40 15.354 7.613 4.360 1.00 22.01 C ATOM 625 CD GLU A 40 16.370 7.391 5.473 1.00 61.43 C ATOM 626 OE1 GLU A 40 17.475 6.885 5.184 1.00 50.42 O ATOM 627 OE2 GLU A 40 16.075 7.732 6.638 1.00 71.11 O ATOM 0 H GLU A 40 15.143 5.554 6.262 1.00 40.11 H new ATOM 0 HA GLU A 40 12.824 6.730 5.141 1.00 41.10 H new ATOM 0 HB2 GLU A 40 15.308 5.530 3.845 1.00 61.24 H new ATOM 0 HB3 GLU A 40 14.120 6.503 3.000 1.00 61.24 H new ATOM 0 HG2 GLU A 40 15.868 8.004 3.482 1.00 22.01 H new ATOM 0 HG3 GLU A 40 14.640 8.373 4.676 1.00 22.01 H new ATOM 634 N ILE A 41 11.551 4.987 3.839 1.00 43.12 N ATOM 635 CA ILE A 41 10.652 3.930 3.356 1.00 52.42 C ATOM 636 C ILE A 41 10.728 3.760 1.828 1.00 33.33 C ATOM 637 O ILE A 41 10.954 4.724 1.094 1.00 15.54 O ATOM 638 CB ILE A 41 9.184 4.232 3.760 1.00 5.32 C ATOM 639 CG1 ILE A 41 9.079 4.473 5.277 1.00 25.14 C ATOM 640 CG2 ILE A 41 8.250 3.095 3.333 1.00 33.23 C ATOM 641 CD1 ILE A 41 7.683 4.830 5.747 1.00 21.22 C ATOM 0 H ILE A 41 11.199 5.934 3.697 1.00 43.12 H new ATOM 0 HA ILE A 41 10.981 3.001 3.823 1.00 52.42 H new ATOM 0 HB ILE A 41 8.873 5.139 3.241 1.00 5.32 H new ATOM 0 HG12 ILE A 41 9.410 3.576 5.801 1.00 25.14 H new ATOM 0 HG13 ILE A 41 9.762 5.276 5.556 1.00 25.14 H new ATOM 0 HG21 ILE A 41 7.228 3.333 3.629 1.00 33.23 H new ATOM 0 HG22 ILE A 41 8.296 2.974 2.251 1.00 33.23 H new ATOM 0 HG23 ILE A 41 8.561 2.168 3.816 1.00 33.23 H new ATOM 0 HD11 ILE A 41 7.691 4.984 6.826 1.00 21.22 H new ATOM 0 HD12 ILE A 41 7.355 5.744 5.252 1.00 21.22 H new ATOM 0 HD13 ILE A 41 6.998 4.019 5.501 1.00 21.22 H new ATOM 653 N LYS A 42 10.533 2.528 1.355 1.00 53.45 N ATOM 654 CA LYS A 42 10.524 2.239 -0.085 1.00 34.35 C ATOM 655 C LYS A 42 9.084 2.255 -0.640 1.00 63.12 C ATOM 656 O LYS A 42 8.773 3.011 -1.563 1.00 54.35 O ATOM 657 CB LYS A 42 11.184 0.878 -0.353 1.00 24.22 C ATOM 658 CG LYS A 42 11.524 0.629 -1.822 1.00 62.14 C ATOM 659 CD LYS A 42 12.596 1.595 -2.325 1.00 13.14 C ATOM 660 CE LYS A 42 12.946 1.352 -3.790 1.00 13.45 C ATOM 661 NZ LYS A 42 11.801 1.626 -4.700 1.00 14.54 N ATOM 0 H LYS A 42 10.379 1.712 1.947 1.00 53.45 H new ATOM 0 HA LYS A 42 11.093 3.016 -0.596 1.00 34.35 H new ATOM 0 HB2 LYS A 42 12.097 0.806 0.238 1.00 24.22 H new ATOM 0 HB3 LYS A 42 10.517 0.088 -0.006 1.00 24.22 H new ATOM 0 HG2 LYS A 42 11.871 -0.397 -1.947 1.00 62.14 H new ATOM 0 HG3 LYS A 42 10.624 0.737 -2.427 1.00 62.14 H new ATOM 0 HD2 LYS A 42 12.246 2.620 -2.202 1.00 13.14 H new ATOM 0 HD3 LYS A 42 13.494 1.489 -1.716 1.00 13.14 H new ATOM 0 HE2 LYS A 42 13.788 1.985 -4.069 1.00 13.45 H new ATOM 0 HE3 LYS A 42 13.268 0.319 -3.917 1.00 13.45 H new ATOM 0 HZ1 LYS A 42 12.123 1.579 -5.688 1.00 14.54 H new ATOM 0 HZ2 LYS A 42 11.056 0.917 -4.544 1.00 14.54 H new ATOM 0 HZ3 LYS A 42 11.422 2.574 -4.505 1.00 14.54 H new ATOM 675 N GLU A 43 8.209 1.419 -0.072 1.00 64.13 N ATOM 676 CA GLU A 43 6.785 1.397 -0.456 1.00 62.21 C ATOM 677 C GLU A 43 5.885 0.922 0.703 1.00 35.11 C ATOM 678 O GLU A 43 6.368 0.380 1.702 1.00 30.41 O ATOM 679 CB GLU A 43 6.569 0.538 -1.718 1.00 31.34 C ATOM 680 CG GLU A 43 7.115 -0.881 -1.631 1.00 62.20 C ATOM 681 CD GLU A 43 6.948 -1.650 -2.935 1.00 2.43 C ATOM 682 OE1 GLU A 43 7.796 -1.487 -3.842 1.00 62.44 O ATOM 683 OE2 GLU A 43 5.961 -2.401 -3.075 1.00 53.01 O ATOM 0 H GLU A 43 8.457 0.748 0.655 1.00 64.13 H new ATOM 0 HA GLU A 43 6.494 2.421 -0.689 1.00 62.21 H new ATOM 0 HB2 GLU A 43 5.500 0.488 -1.927 1.00 31.34 H new ATOM 0 HB3 GLU A 43 7.036 1.040 -2.565 1.00 31.34 H new ATOM 0 HG2 GLU A 43 8.172 -0.845 -1.367 1.00 62.20 H new ATOM 0 HG3 GLU A 43 6.604 -1.415 -0.830 1.00 62.20 H new ATOM 690 N ARG A 44 4.573 1.143 0.567 1.00 20.41 N ATOM 691 CA ARG A 44 3.612 0.898 1.656 1.00 70.21 C ATOM 692 C ARG A 44 2.428 0.028 1.197 1.00 45.44 C ATOM 693 O ARG A 44 1.865 0.242 0.127 1.00 0.34 O ATOM 694 CB ARG A 44 3.080 2.237 2.184 1.00 23.30 C ATOM 695 CG ARG A 44 4.163 3.152 2.745 1.00 13.14 C ATOM 696 CD ARG A 44 3.597 4.509 3.146 1.00 3.23 C ATOM 697 NE ARG A 44 4.609 5.372 3.749 1.00 22.43 N ATOM 698 CZ ARG A 44 4.798 6.624 3.427 1.00 73.43 C ATOM 699 NH1 ARG A 44 4.073 7.188 2.511 1.00 60.20 N ATOM 700 NH2 ARG A 44 5.717 7.310 4.022 1.00 61.45 N ATOM 0 H ARG A 44 4.147 1.493 -0.291 1.00 20.41 H new ATOM 0 HA ARG A 44 4.139 0.360 2.444 1.00 70.21 H new ATOM 0 HB2 ARG A 44 2.562 2.755 1.377 1.00 23.30 H new ATOM 0 HB3 ARG A 44 2.343 2.043 2.963 1.00 23.30 H new ATOM 0 HG2 ARG A 44 4.627 2.680 3.611 1.00 13.14 H new ATOM 0 HG3 ARG A 44 4.946 3.289 2.000 1.00 13.14 H new ATOM 0 HD2 ARG A 44 3.179 5.001 2.267 1.00 3.23 H new ATOM 0 HD3 ARG A 44 2.778 4.365 3.851 1.00 3.23 H new ATOM 0 HE ARG A 44 5.209 4.970 4.470 1.00 22.43 H new ATOM 0 HH11 ARG A 44 3.347 6.653 2.034 1.00 60.20 H new ATOM 0 HH12 ARG A 44 4.229 8.166 2.267 1.00 60.20 H new ATOM 0 HH21 ARG A 44 6.293 6.874 4.742 1.00 61.45 H new ATOM 0 HH22 ARG A 44 5.866 8.288 3.772 1.00 61.45 H new ATOM 714 N THR A 45 2.032 -0.925 2.040 1.00 12.44 N ATOM 715 CA THR A 45 0.948 -1.867 1.717 1.00 12.44 C ATOM 716 C THR A 45 -0.280 -1.662 2.621 1.00 44.35 C ATOM 717 O THR A 45 -0.150 -1.574 3.842 1.00 44.33 O ATOM 718 CB THR A 45 1.429 -3.331 1.864 1.00 62.34 C ATOM 719 OG1 THR A 45 2.545 -3.578 0.996 1.00 54.12 O ATOM 720 CG2 THR A 45 0.311 -4.317 1.545 1.00 2.44 C ATOM 0 H THR A 45 2.447 -1.070 2.961 1.00 12.44 H new ATOM 0 HA THR A 45 0.663 -1.669 0.684 1.00 12.44 H new ATOM 0 HB THR A 45 1.733 -3.476 2.901 1.00 62.34 H new ATOM 0 HG1 THR A 45 2.841 -4.507 1.099 1.00 54.12 H new ATOM 0 HG21 THR A 45 0.681 -5.336 1.658 1.00 2.44 H new ATOM 0 HG22 THR A 45 -0.522 -4.156 2.229 1.00 2.44 H new ATOM 0 HG23 THR A 45 -0.027 -4.165 0.520 1.00 2.44 H new ATOM 728 N TYR A 46 -1.473 -1.604 2.019 1.00 42.44 N ATOM 729 CA TYR A 46 -2.731 -1.444 2.773 1.00 44.10 C ATOM 730 C TYR A 46 -3.579 -2.731 2.749 1.00 33.44 C ATOM 731 O TYR A 46 -3.447 -3.558 1.841 1.00 24.42 O ATOM 732 CB TYR A 46 -3.586 -0.319 2.171 1.00 35.34 C ATOM 733 CG TYR A 46 -2.877 1.007 1.974 1.00 62.52 C ATOM 734 CD1 TYR A 46 -2.782 1.934 3.004 1.00 21.10 C ATOM 735 CD2 TYR A 46 -2.333 1.344 0.736 1.00 74.31 C ATOM 736 CE1 TYR A 46 -2.170 3.159 2.809 1.00 41.54 C ATOM 737 CE2 TYR A 46 -1.714 2.560 0.538 1.00 33.01 C ATOM 738 CZ TYR A 46 -1.638 3.465 1.573 1.00 53.30 C ATOM 739 OH TYR A 46 -1.033 4.684 1.365 1.00 44.45 O ATOM 0 H TYR A 46 -1.599 -1.665 1.009 1.00 42.44 H new ATOM 0 HA TYR A 46 -2.447 -1.208 3.799 1.00 44.10 H new ATOM 0 HB2 TYR A 46 -3.968 -0.653 1.206 1.00 35.34 H new ATOM 0 HB3 TYR A 46 -4.449 -0.157 2.817 1.00 35.34 H new ATOM 0 HD1 TYR A 46 -3.193 1.694 3.974 1.00 21.10 H new ATOM 0 HD2 TYR A 46 -2.397 0.641 -0.082 1.00 74.31 H new ATOM 0 HE1 TYR A 46 -2.109 3.871 3.619 1.00 41.54 H new ATOM 0 HE2 TYR A 46 -1.290 2.802 -0.426 1.00 33.01 H new ATOM 0 HH TYR A 46 -0.062 4.562 1.310 1.00 44.45 H new ATOM 749 N ASP A 47 -4.471 -2.871 3.735 1.00 21.42 N ATOM 750 CA ASP A 47 -5.499 -3.922 3.713 1.00 51.02 C ATOM 751 C ASP A 47 -6.795 -3.387 3.071 1.00 24.24 C ATOM 752 O ASP A 47 -7.528 -2.607 3.689 1.00 72.41 O ATOM 753 CB ASP A 47 -5.816 -4.422 5.133 1.00 55.03 C ATOM 754 CG ASP A 47 -4.712 -5.269 5.742 1.00 74.41 C ATOM 755 OD1 ASP A 47 -4.251 -6.218 5.072 1.00 63.20 O ATOM 756 OD2 ASP A 47 -4.334 -5.015 6.906 1.00 11.54 O ATOM 0 H ASP A 47 -4.504 -2.271 4.559 1.00 21.42 H new ATOM 0 HA ASP A 47 -5.108 -4.752 3.125 1.00 51.02 H new ATOM 0 HB2 ASP A 47 -6.001 -3.563 5.778 1.00 55.03 H new ATOM 0 HB3 ASP A 47 -6.737 -5.005 5.106 1.00 55.03 H new ATOM 761 N LEU A 48 -7.094 -3.813 1.846 1.00 24.45 N ATOM 762 CA LEU A 48 -8.284 -3.328 1.135 1.00 22.45 C ATOM 763 C LEU A 48 -9.298 -4.455 0.882 1.00 71.53 C ATOM 764 O LEU A 48 -8.938 -5.550 0.460 1.00 54.52 O ATOM 765 CB LEU A 48 -7.878 -2.668 -0.194 1.00 13.04 C ATOM 766 CG LEU A 48 -6.920 -1.466 -0.068 1.00 54.00 C ATOM 767 CD1 LEU A 48 -6.690 -0.805 -1.423 1.00 14.04 C ATOM 768 CD2 LEU A 48 -7.453 -0.447 0.937 1.00 40.52 C ATOM 0 H LEU A 48 -6.536 -4.488 1.324 1.00 24.45 H new ATOM 0 HA LEU A 48 -8.768 -2.587 1.771 1.00 22.45 H new ATOM 0 HB2 LEU A 48 -7.408 -3.421 -0.826 1.00 13.04 H new ATOM 0 HB3 LEU A 48 -8.781 -2.339 -0.708 1.00 13.04 H new ATOM 0 HG LEU A 48 -5.964 -1.841 0.296 1.00 54.00 H new ATOM 0 HD11 LEU A 48 -6.011 0.039 -1.305 1.00 14.04 H new ATOM 0 HD12 LEU A 48 -6.253 -1.529 -2.111 1.00 14.04 H new ATOM 0 HD13 LEU A 48 -7.641 -0.453 -1.822 1.00 14.04 H new ATOM 0 HD21 LEU A 48 -6.760 0.391 1.008 1.00 40.52 H new ATOM 0 HD22 LEU A 48 -8.427 -0.085 0.607 1.00 40.52 H new ATOM 0 HD23 LEU A 48 -7.553 -0.918 1.915 1.00 40.52 H new ATOM 780 N LYS A 49 -10.571 -4.173 1.158 1.00 62.41 N ATOM 781 CA LYS A 49 -11.657 -5.135 0.922 1.00 21.14 C ATOM 782 C LYS A 49 -12.302 -4.911 -0.456 1.00 33.23 C ATOM 783 O LYS A 49 -12.696 -3.793 -0.797 1.00 2.21 O ATOM 784 CB LYS A 49 -12.712 -5.024 2.039 1.00 20.22 C ATOM 785 CG LYS A 49 -12.520 -6.015 3.189 1.00 51.23 C ATOM 786 CD LYS A 49 -11.100 -6.007 3.760 1.00 72.41 C ATOM 787 CE LYS A 49 -10.712 -4.660 4.359 1.00 64.50 C ATOM 788 NZ LYS A 49 -9.324 -4.685 4.895 1.00 34.32 N ATOM 0 H LYS A 49 -10.881 -3.283 1.547 1.00 62.41 H new ATOM 0 HA LYS A 49 -11.236 -6.140 0.934 1.00 21.14 H new ATOM 0 HB2 LYS A 49 -12.693 -4.011 2.441 1.00 20.22 H new ATOM 0 HB3 LYS A 49 -13.700 -5.176 1.605 1.00 20.22 H new ATOM 0 HG2 LYS A 49 -13.226 -5.779 3.985 1.00 51.23 H new ATOM 0 HG3 LYS A 49 -12.758 -7.019 2.838 1.00 51.23 H new ATOM 0 HD2 LYS A 49 -11.017 -6.778 4.526 1.00 72.41 H new ATOM 0 HD3 LYS A 49 -10.394 -6.265 2.970 1.00 72.41 H new ATOM 0 HE2 LYS A 49 -10.796 -3.884 3.598 1.00 64.50 H new ATOM 0 HE3 LYS A 49 -11.408 -4.401 5.157 1.00 64.50 H new ATOM 0 HZ1 LYS A 49 -9.072 -3.740 5.250 1.00 34.32 H new ATOM 0 HZ2 LYS A 49 -9.264 -5.374 5.672 1.00 34.32 H new ATOM 0 HZ3 LYS A 49 -8.665 -4.958 4.139 1.00 34.32 H new ATOM 802 N SER A 50 -12.410 -5.985 -1.233 1.00 41.43 N ATOM 803 CA SER A 50 -12.921 -5.913 -2.612 1.00 53.22 C ATOM 804 C SER A 50 -14.437 -6.143 -2.689 1.00 4.02 C ATOM 805 O SER A 50 -15.061 -6.599 -1.732 1.00 45.21 O ATOM 806 CB SER A 50 -12.200 -6.944 -3.491 1.00 13.13 C ATOM 807 OG SER A 50 -12.328 -8.259 -2.968 1.00 42.41 O ATOM 0 H SER A 50 -12.150 -6.925 -0.935 1.00 41.43 H new ATOM 0 HA SER A 50 -12.723 -4.905 -2.975 1.00 53.22 H new ATOM 0 HB2 SER A 50 -12.610 -6.912 -4.501 1.00 13.13 H new ATOM 0 HB3 SER A 50 -11.144 -6.683 -3.567 1.00 13.13 H new ATOM 0 HG SER A 50 -11.765 -8.351 -2.171 1.00 42.41 H new ATOM 866 N ARG A 55 -13.126 -10.347 -1.163 1.00 20.12 N ATOM 867 CA ARG A 55 -11.896 -10.868 -0.539 1.00 21.13 C ATOM 868 C ARG A 55 -10.971 -9.738 -0.063 1.00 13.10 C ATOM 869 O ARG A 55 -11.077 -8.591 -0.505 1.00 23.41 O ATOM 870 CB ARG A 55 -11.123 -11.774 -1.507 1.00 13.43 C ATOM 871 CG ARG A 55 -11.916 -12.975 -2.008 1.00 22.54 C ATOM 872 CD ARG A 55 -11.001 -14.056 -2.583 1.00 71.43 C ATOM 873 NE ARG A 55 -10.056 -13.527 -3.566 1.00 24.13 N ATOM 874 CZ ARG A 55 -8.827 -13.954 -3.694 1.00 63.43 C ATOM 875 NH1 ARG A 55 -8.361 -14.863 -2.901 1.00 61.14 N ATOM 876 NH2 ARG A 55 -8.056 -13.464 -4.609 1.00 64.33 N ATOM 0 HA ARG A 55 -12.212 -11.449 0.327 1.00 21.13 H new ATOM 0 HB2 ARG A 55 -10.803 -11.181 -2.364 1.00 13.43 H new ATOM 0 HB3 ARG A 55 -10.220 -12.130 -1.011 1.00 13.43 H new ATOM 0 HG2 ARG A 55 -12.502 -13.392 -1.189 1.00 22.54 H new ATOM 0 HG3 ARG A 55 -12.622 -12.652 -2.773 1.00 22.54 H new ATOM 0 HD2 ARG A 55 -10.449 -14.529 -1.771 1.00 71.43 H new ATOM 0 HD3 ARG A 55 -11.609 -14.831 -3.049 1.00 71.43 H new ATOM 0 HE ARG A 55 -10.374 -12.783 -4.187 1.00 24.13 H new ATOM 0 HH11 ARG A 55 -8.954 -15.253 -2.168 1.00 61.14 H new ATOM 0 HH12 ARG A 55 -7.401 -15.190 -3.008 1.00 61.14 H new ATOM 0 HH21 ARG A 55 -8.406 -12.740 -5.236 1.00 64.33 H new ATOM 0 HH22 ARG A 55 -7.098 -13.802 -4.703 1.00 64.33 H new ATOM 890 N MET A 56 -10.059 -10.088 0.842 1.00 74.03 N ATOM 891 CA MET A 56 -9.056 -9.153 1.356 1.00 33.11 C ATOM 892 C MET A 56 -7.805 -9.146 0.462 1.00 44.40 C ATOM 893 O MET A 56 -7.207 -10.196 0.215 1.00 32.23 O ATOM 894 CB MET A 56 -8.668 -9.549 2.790 1.00 63.53 C ATOM 895 CG MET A 56 -9.852 -9.611 3.752 1.00 72.21 C ATOM 896 SD MET A 56 -11.077 -10.847 3.270 1.00 72.10 S ATOM 897 CE MET A 56 -12.344 -10.564 4.504 1.00 20.51 C ATOM 0 H MET A 56 -9.993 -11.025 1.240 1.00 74.03 H new ATOM 0 HA MET A 56 -9.484 -8.151 1.356 1.00 33.11 H new ATOM 0 HB2 MET A 56 -8.178 -10.522 2.768 1.00 63.53 H new ATOM 0 HB3 MET A 56 -7.939 -8.833 3.170 1.00 63.53 H new ATOM 0 HG2 MET A 56 -9.489 -9.837 4.755 1.00 72.21 H new ATOM 0 HG3 MET A 56 -10.329 -8.632 3.799 1.00 72.21 H new ATOM 0 HE1 MET A 56 -13.172 -11.254 4.340 1.00 20.51 H new ATOM 0 HE2 MET A 56 -11.927 -10.727 5.498 1.00 20.51 H new ATOM 0 HE3 MET A 56 -12.705 -9.538 4.426 1.00 20.51 H new ATOM 907 N ILE A 57 -7.412 -7.968 -0.018 1.00 21.51 N ATOM 908 CA ILE A 57 -6.235 -7.832 -0.892 1.00 64.22 C ATOM 909 C ILE A 57 -5.230 -6.806 -0.342 1.00 65.15 C ATOM 910 O ILE A 57 -5.616 -5.767 0.202 1.00 54.15 O ATOM 911 CB ILE A 57 -6.649 -7.419 -2.334 1.00 73.23 C ATOM 912 CG1 ILE A 57 -7.458 -6.109 -2.312 1.00 31.24 C ATOM 913 CG2 ILE A 57 -7.442 -8.538 -3.006 1.00 75.03 C ATOM 914 CD1 ILE A 57 -7.895 -5.627 -3.682 1.00 33.52 C ATOM 0 H ILE A 57 -7.889 -7.088 0.181 1.00 21.51 H new ATOM 0 HA ILE A 57 -5.755 -8.810 -0.921 1.00 64.22 H new ATOM 0 HB ILE A 57 -5.744 -7.248 -2.917 1.00 73.23 H new ATOM 0 HG12 ILE A 57 -8.342 -6.251 -1.690 1.00 31.24 H new ATOM 0 HG13 ILE A 57 -6.857 -5.332 -1.840 1.00 31.24 H new ATOM 0 HG21 ILE A 57 -7.723 -8.231 -4.013 1.00 75.03 H new ATOM 0 HG22 ILE A 57 -6.829 -9.438 -3.059 1.00 75.03 H new ATOM 0 HG23 ILE A 57 -8.341 -8.745 -2.426 1.00 75.03 H new ATOM 0 HD11 ILE A 57 -8.459 -4.700 -3.579 1.00 33.52 H new ATOM 0 HD12 ILE A 57 -7.017 -5.450 -4.303 1.00 33.52 H new ATOM 0 HD13 ILE A 57 -8.524 -6.384 -4.150 1.00 33.52 H new ATOM 926 N GLN A 58 -3.937 -7.109 -0.475 1.00 2.23 N ATOM 927 CA GLN A 58 -2.875 -6.195 -0.038 1.00 20.44 C ATOM 928 C GLN A 58 -2.364 -5.335 -1.203 1.00 21.12 C ATOM 929 O GLN A 58 -1.636 -5.813 -2.071 1.00 0.51 O ATOM 930 CB GLN A 58 -1.710 -6.979 0.588 1.00 44.12 C ATOM 931 CG GLN A 58 -1.967 -7.439 2.020 1.00 41.25 C ATOM 932 CD GLN A 58 -3.086 -8.457 2.139 1.00 53.12 C ATOM 933 OE1 GLN A 58 -3.306 -9.276 1.251 1.00 50.55 O ATOM 934 NE2 GLN A 58 -3.815 -8.407 3.234 1.00 62.22 N ATOM 0 H GLN A 58 -3.598 -7.981 -0.882 1.00 2.23 H new ATOM 0 HA GLN A 58 -3.300 -5.531 0.715 1.00 20.44 H new ATOM 0 HB2 GLN A 58 -1.500 -7.852 -0.030 1.00 44.12 H new ATOM 0 HB3 GLN A 58 -0.817 -6.355 0.573 1.00 44.12 H new ATOM 0 HG2 GLN A 58 -1.051 -7.869 2.425 1.00 41.25 H new ATOM 0 HG3 GLN A 58 -2.210 -6.571 2.634 1.00 41.25 H new ATOM 0 HE21 GLN A 58 -3.607 -7.715 3.954 1.00 62.22 H new ATOM 0 HE22 GLN A 58 -4.588 -9.060 3.363 1.00 62.22 H new ATOM 943 N VAL A 59 -2.738 -4.061 -1.212 1.00 51.13 N ATOM 944 CA VAL A 59 -2.325 -3.137 -2.278 1.00 15.03 C ATOM 945 C VAL A 59 -1.147 -2.262 -1.829 1.00 72.41 C ATOM 946 O VAL A 59 -1.201 -1.630 -0.774 1.00 3.21 O ATOM 947 CB VAL A 59 -3.506 -2.240 -2.727 1.00 32.24 C ATOM 948 CG1 VAL A 59 -3.069 -1.244 -3.804 1.00 71.52 C ATOM 949 CG2 VAL A 59 -4.665 -3.105 -3.223 1.00 63.13 C ATOM 0 H VAL A 59 -3.327 -3.638 -0.495 1.00 51.13 H new ATOM 0 HA VAL A 59 -2.004 -3.743 -3.125 1.00 15.03 H new ATOM 0 HB VAL A 59 -3.844 -1.664 -1.866 1.00 32.24 H new ATOM 0 HG11 VAL A 59 -3.920 -0.629 -4.098 1.00 71.52 H new ATOM 0 HG12 VAL A 59 -2.279 -0.605 -3.410 1.00 71.52 H new ATOM 0 HG13 VAL A 59 -2.697 -1.787 -4.672 1.00 71.52 H new ATOM 0 HG21 VAL A 59 -5.489 -2.464 -3.536 1.00 63.13 H new ATOM 0 HG22 VAL A 59 -4.333 -3.708 -4.068 1.00 63.13 H new ATOM 0 HG23 VAL A 59 -5.000 -3.760 -2.419 1.00 63.13 H new ATOM 959 N SER A 60 -0.086 -2.221 -2.633 1.00 52.41 N ATOM 960 CA SER A 60 1.145 -1.504 -2.255 1.00 63.30 C ATOM 961 C SER A 60 1.473 -0.355 -3.224 1.00 3.12 C ATOM 962 O SER A 60 1.339 -0.493 -4.444 1.00 42.44 O ATOM 963 CB SER A 60 2.329 -2.479 -2.190 1.00 73.31 C ATOM 964 OG SER A 60 3.489 -1.839 -1.685 1.00 31.42 O ATOM 0 H SER A 60 -0.047 -2.671 -3.547 1.00 52.41 H new ATOM 0 HA SER A 60 0.971 -1.067 -1.272 1.00 63.30 H new ATOM 0 HB2 SER A 60 2.072 -3.327 -1.555 1.00 73.31 H new ATOM 0 HB3 SER A 60 2.532 -2.876 -3.185 1.00 73.31 H new ATOM 0 HG SER A 60 4.263 -2.085 -2.234 1.00 31.42 H new ATOM 970 N ILE A 61 1.911 0.775 -2.672 1.00 53.13 N ATOM 971 CA ILE A 61 2.297 1.953 -3.468 1.00 12.52 C ATOM 972 C ILE A 61 3.638 2.535 -2.983 1.00 55.13 C ATOM 973 O ILE A 61 3.963 2.450 -1.798 1.00 3.21 O ATOM 974 CB ILE A 61 1.218 3.068 -3.400 1.00 45.44 C ATOM 975 CG1 ILE A 61 0.992 3.509 -1.943 1.00 41.14 C ATOM 976 CG2 ILE A 61 -0.090 2.597 -4.035 1.00 51.44 C ATOM 977 CD1 ILE A 61 0.067 4.698 -1.800 1.00 71.25 C ATOM 0 H ILE A 61 2.010 0.906 -1.665 1.00 53.13 H new ATOM 0 HA ILE A 61 2.396 1.613 -4.499 1.00 12.52 H new ATOM 0 HB ILE A 61 1.576 3.928 -3.967 1.00 45.44 H new ATOM 0 HG12 ILE A 61 0.581 2.671 -1.379 1.00 41.14 H new ATOM 0 HG13 ILE A 61 1.955 3.754 -1.494 1.00 41.14 H new ATOM 0 HG21 ILE A 61 -0.831 3.394 -3.976 1.00 51.44 H new ATOM 0 HG22 ILE A 61 0.084 2.341 -5.080 1.00 51.44 H new ATOM 0 HG23 ILE A 61 -0.458 1.720 -3.503 1.00 51.44 H new ATOM 0 HD11 ILE A 61 -0.043 4.949 -0.745 1.00 71.25 H new ATOM 0 HD12 ILE A 61 0.486 5.551 -2.334 1.00 71.25 H new ATOM 0 HD13 ILE A 61 -0.909 4.452 -2.218 1.00 71.25 H new ATOM 989 N PRO A 62 4.439 3.139 -3.886 1.00 72.01 N ATOM 990 CA PRO A 62 5.743 3.726 -3.520 1.00 64.44 C ATOM 991 C PRO A 62 5.633 4.818 -2.436 1.00 52.33 C ATOM 992 O PRO A 62 4.670 5.582 -2.402 1.00 3.54 O ATOM 993 CB PRO A 62 6.250 4.330 -4.840 1.00 63.24 C ATOM 994 CG PRO A 62 5.509 3.592 -5.905 1.00 11.50 C ATOM 995 CD PRO A 62 4.153 3.295 -5.325 1.00 63.32 C ATOM 0 HA PRO A 62 6.408 2.977 -3.090 1.00 64.44 H new ATOM 0 HB2 PRO A 62 6.050 5.400 -4.888 1.00 63.24 H new ATOM 0 HB3 PRO A 62 7.327 4.202 -4.946 1.00 63.24 H new ATOM 0 HG2 PRO A 62 5.425 4.192 -6.811 1.00 11.50 H new ATOM 0 HG3 PRO A 62 6.028 2.673 -6.178 1.00 11.50 H new ATOM 0 HD2 PRO A 62 3.447 4.105 -5.512 1.00 63.32 H new ATOM 0 HD3 PRO A 62 3.720 2.390 -5.752 1.00 63.32 H new ATOM 1003 N ALA A 63 6.642 4.900 -1.564 1.00 33.41 N ATOM 1004 CA ALA A 63 6.659 5.899 -0.482 1.00 34.32 C ATOM 1005 C ALA A 63 6.809 7.333 -1.021 1.00 64.42 C ATOM 1006 O ALA A 63 6.752 8.306 -0.263 1.00 62.15 O ATOM 1007 CB ALA A 63 7.772 5.579 0.505 1.00 1.04 C ATOM 0 H ALA A 63 7.459 4.289 -1.583 1.00 33.41 H new ATOM 0 HA ALA A 63 5.698 5.848 0.031 1.00 34.32 H new ATOM 0 HB1 ALA A 63 7.777 6.323 1.302 1.00 1.04 H new ATOM 0 HB2 ALA A 63 7.606 4.590 0.933 1.00 1.04 H new ATOM 0 HB3 ALA A 63 8.732 5.594 -0.011 1.00 1.04 H new ATOM 1013 N SER A 64 7.024 7.451 -2.329 1.00 30.22 N ATOM 1014 CA SER A 64 7.034 8.751 -3.013 1.00 42.24 C ATOM 1015 C SER A 64 5.607 9.300 -3.155 1.00 64.53 C ATOM 1016 O SER A 64 5.401 10.500 -3.345 1.00 74.34 O ATOM 1017 CB SER A 64 7.673 8.615 -4.401 1.00 32.31 C ATOM 1018 OG SER A 64 7.018 7.612 -5.170 1.00 22.05 O ATOM 0 H SER A 64 7.196 6.657 -2.945 1.00 30.22 H new ATOM 0 HA SER A 64 7.621 9.447 -2.413 1.00 42.24 H new ATOM 0 HB2 SER A 64 7.622 9.570 -4.924 1.00 32.31 H new ATOM 0 HB3 SER A 64 8.729 8.366 -4.296 1.00 32.31 H new ATOM 0 HG SER A 64 7.443 7.546 -6.051 1.00 22.05 H new ATOM 1024 N VAL A 65 4.628 8.402 -3.066 1.00 33.21 N ATOM 1025 CA VAL A 65 3.213 8.768 -3.131 1.00 13.51 C ATOM 1026 C VAL A 65 2.661 9.077 -1.726 1.00 64.34 C ATOM 1027 O VAL A 65 2.766 8.251 -0.816 1.00 45.31 O ATOM 1028 CB VAL A 65 2.379 7.626 -3.768 1.00 35.11 C ATOM 1029 CG1 VAL A 65 0.908 8.019 -3.883 1.00 72.11 C ATOM 1030 CG2 VAL A 65 2.947 7.241 -5.134 1.00 73.20 C ATOM 0 H VAL A 65 4.792 7.402 -2.947 1.00 33.21 H new ATOM 0 HA VAL A 65 3.132 9.661 -3.751 1.00 13.51 H new ATOM 0 HB VAL A 65 2.442 6.756 -3.114 1.00 35.11 H new ATOM 0 HG11 VAL A 65 0.347 7.200 -4.333 1.00 72.11 H new ATOM 0 HG12 VAL A 65 0.509 8.230 -2.891 1.00 72.11 H new ATOM 0 HG13 VAL A 65 0.817 8.908 -4.508 1.00 72.11 H new ATOM 0 HG21 VAL A 65 2.348 6.438 -5.564 1.00 73.20 H new ATOM 0 HG22 VAL A 65 2.922 8.107 -5.796 1.00 73.20 H new ATOM 0 HG23 VAL A 65 3.977 6.903 -5.018 1.00 73.20 H new ATOM 1040 N PRO A 66 2.070 10.279 -1.529 1.00 64.21 N ATOM 1041 CA PRO A 66 1.526 10.699 -0.221 1.00 14.14 C ATOM 1042 C PRO A 66 0.602 9.648 0.425 1.00 65.12 C ATOM 1043 O PRO A 66 -0.362 9.185 -0.196 1.00 34.40 O ATOM 1044 CB PRO A 66 0.740 11.971 -0.566 1.00 52.45 C ATOM 1045 CG PRO A 66 1.431 12.521 -1.770 1.00 4.32 C ATOM 1046 CD PRO A 66 1.900 11.326 -2.559 1.00 75.54 C ATOM 0 HA PRO A 66 2.317 10.845 0.514 1.00 14.14 H new ATOM 0 HB2 PRO A 66 -0.306 11.747 -0.776 1.00 52.45 H new ATOM 0 HB3 PRO A 66 0.754 12.683 0.260 1.00 52.45 H new ATOM 0 HG2 PRO A 66 0.754 13.138 -2.361 1.00 4.32 H new ATOM 0 HG3 PRO A 66 2.271 13.154 -1.483 1.00 4.32 H new ATOM 0 HD2 PRO A 66 1.171 11.032 -3.314 1.00 75.54 H new ATOM 0 HD3 PRO A 66 2.835 11.531 -3.081 1.00 75.54 H new ATOM 1054 N LEU A 67 0.909 9.283 1.671 1.00 1.13 N ATOM 1055 CA LEU A 67 0.126 8.293 2.420 1.00 64.11 C ATOM 1056 C LEU A 67 -1.357 8.715 2.516 1.00 15.14 C ATOM 1057 O LEU A 67 -1.673 9.824 2.950 1.00 32.11 O ATOM 1058 CB LEU A 67 0.742 8.105 3.816 1.00 24.32 C ATOM 1059 CG LEU A 67 0.167 6.952 4.657 1.00 32.41 C ATOM 1060 CD1 LEU A 67 0.293 5.623 3.923 1.00 22.43 C ATOM 1061 CD2 LEU A 67 0.867 6.878 6.013 1.00 34.30 C ATOM 0 H LEU A 67 1.702 9.661 2.189 1.00 1.13 H new ATOM 0 HA LEU A 67 0.156 7.341 1.890 1.00 64.11 H new ATOM 0 HB2 LEU A 67 1.814 7.944 3.700 1.00 24.32 H new ATOM 0 HB3 LEU A 67 0.618 9.033 4.374 1.00 24.32 H new ATOM 0 HG LEU A 67 -0.892 7.151 4.820 1.00 32.41 H new ATOM 0 HD11 LEU A 67 -0.121 4.826 4.540 1.00 22.43 H new ATOM 0 HD12 LEU A 67 -0.254 5.674 2.981 1.00 22.43 H new ATOM 0 HD13 LEU A 67 1.344 5.417 3.721 1.00 22.43 H new ATOM 0 HD21 LEU A 67 0.448 6.057 6.595 1.00 34.30 H new ATOM 0 HD22 LEU A 67 1.933 6.709 5.863 1.00 34.30 H new ATOM 0 HD23 LEU A 67 0.720 7.815 6.550 1.00 34.30 H new ATOM 1073 N LYS A 68 -2.255 7.818 2.104 1.00 72.22 N ATOM 1074 CA LYS A 68 -3.684 8.148 1.946 1.00 71.35 C ATOM 1075 C LYS A 68 -4.399 8.386 3.294 1.00 0.32 C ATOM 1076 O LYS A 68 -4.902 9.481 3.542 1.00 54.41 O ATOM 1077 CB LYS A 68 -4.392 7.045 1.136 1.00 52.33 C ATOM 1078 CG LYS A 68 -4.134 7.118 -0.375 1.00 11.20 C ATOM 1079 CD LYS A 68 -2.647 7.029 -0.720 1.00 4.43 C ATOM 1080 CE LYS A 68 -2.391 7.147 -2.221 1.00 74.34 C ATOM 1081 NZ LYS A 68 -2.880 8.437 -2.783 1.00 41.51 N ATOM 0 H LYS A 68 -2.023 6.852 1.871 1.00 72.22 H new ATOM 0 HA LYS A 68 -3.739 9.090 1.401 1.00 71.35 H new ATOM 0 HB2 LYS A 68 -4.065 6.072 1.503 1.00 52.33 H new ATOM 0 HB3 LYS A 68 -5.465 7.109 1.315 1.00 52.33 H new ATOM 0 HG2 LYS A 68 -4.668 6.307 -0.871 1.00 11.20 H new ATOM 0 HG3 LYS A 68 -4.539 8.052 -0.765 1.00 11.20 H new ATOM 0 HD2 LYS A 68 -2.108 7.820 -0.199 1.00 4.43 H new ATOM 0 HD3 LYS A 68 -2.249 6.080 -0.359 1.00 4.43 H new ATOM 0 HE2 LYS A 68 -1.322 7.053 -2.413 1.00 74.34 H new ATOM 0 HE3 LYS A 68 -2.881 6.321 -2.736 1.00 74.34 H new ATOM 0 HZ1 LYS A 68 -2.454 8.591 -3.719 1.00 41.51 H new ATOM 0 HZ2 LYS A 68 -3.916 8.406 -2.874 1.00 41.51 H new ATOM 0 HZ3 LYS A 68 -2.612 9.216 -2.148 1.00 41.51 H new ATOM 1095 N GLU A 69 -4.465 7.356 4.141 1.00 21.33 N ATOM 1096 CA GLU A 69 -5.061 7.483 5.487 1.00 41.22 C ATOM 1097 C GLU A 69 -6.515 8.003 5.450 1.00 32.22 C ATOM 1098 O GLU A 69 -6.892 8.880 6.232 1.00 62.20 O ATOM 1099 CB GLU A 69 -4.189 8.406 6.356 1.00 11.15 C ATOM 1100 CG GLU A 69 -2.778 7.874 6.578 1.00 4.41 C ATOM 1101 CD GLU A 69 -1.846 8.905 7.198 1.00 2.14 C ATOM 1102 OE1 GLU A 69 -1.266 9.714 6.447 1.00 52.54 O ATOM 1103 OE2 GLU A 69 -1.681 8.909 8.437 1.00 12.42 O ATOM 0 H GLU A 69 -4.115 6.422 3.925 1.00 21.33 H new ATOM 0 HA GLU A 69 -5.095 6.484 5.922 1.00 41.22 H new ATOM 0 HB2 GLU A 69 -4.129 9.387 5.884 1.00 11.15 H new ATOM 0 HB3 GLU A 69 -4.673 8.546 7.323 1.00 11.15 H new ATOM 0 HG2 GLU A 69 -2.823 6.998 7.225 1.00 4.41 H new ATOM 0 HG3 GLU A 69 -2.365 7.546 5.624 1.00 4.41 H new ATOM 1110 N PHE A 70 -7.332 7.448 4.556 1.00 14.34 N ATOM 1111 CA PHE A 70 -8.751 7.831 4.462 1.00 35.24 C ATOM 1112 C PHE A 70 -9.587 7.222 5.606 1.00 31.14 C ATOM 1113 O PHE A 70 -9.040 6.696 6.577 1.00 71.21 O ATOM 1114 CB PHE A 70 -9.331 7.408 3.103 1.00 43.32 C ATOM 1115 CG PHE A 70 -8.719 8.133 1.931 1.00 12.43 C ATOM 1116 CD1 PHE A 70 -8.734 9.520 1.869 1.00 73.04 C ATOM 1117 CD2 PHE A 70 -8.129 7.430 0.890 1.00 3.53 C ATOM 1118 CE1 PHE A 70 -8.177 10.188 0.796 1.00 51.23 C ATOM 1119 CE2 PHE A 70 -7.572 8.093 -0.187 1.00 64.14 C ATOM 1120 CZ PHE A 70 -7.596 9.473 -0.234 1.00 0.25 C ATOM 0 H PHE A 70 -7.043 6.734 3.887 1.00 14.34 H new ATOM 0 HA PHE A 70 -8.802 8.916 4.554 1.00 35.24 H new ATOM 0 HB2 PHE A 70 -9.184 6.336 2.973 1.00 43.32 H new ATOM 0 HB3 PHE A 70 -10.407 7.584 3.106 1.00 43.32 H new ATOM 0 HD1 PHE A 70 -9.187 10.084 2.671 1.00 73.04 H new ATOM 0 HD2 PHE A 70 -8.105 6.351 0.922 1.00 3.53 H new ATOM 0 HE1 PHE A 70 -8.196 11.267 0.762 1.00 51.23 H new ATOM 0 HE2 PHE A 70 -7.118 7.533 -0.991 1.00 64.14 H new ATOM 0 HZ PHE A 70 -7.161 9.993 -1.075 1.00 0.25 H new ATOM 1130 N ASP A 71 -10.912 7.318 5.496 1.00 51.21 N ATOM 1131 CA ASP A 71 -11.820 6.780 6.519 1.00 33.12 C ATOM 1132 C ASP A 71 -11.928 5.244 6.467 1.00 30.43 C ATOM 1133 O ASP A 71 -11.551 4.610 5.481 1.00 50.42 O ATOM 1134 CB ASP A 71 -13.210 7.407 6.371 1.00 30.14 C ATOM 1135 CG ASP A 71 -13.254 8.832 6.885 1.00 33.40 C ATOM 1136 OD1 ASP A 71 -12.795 9.744 6.170 1.00 23.21 O ATOM 1137 OD2 ASP A 71 -13.749 9.045 8.015 1.00 64.45 O ATOM 0 H ASP A 71 -11.385 7.763 4.709 1.00 51.21 H new ATOM 0 HA ASP A 71 -11.398 7.040 7.490 1.00 33.12 H new ATOM 0 HB2 ASP A 71 -13.503 7.392 5.321 1.00 30.14 H new ATOM 0 HB3 ASP A 71 -13.938 6.804 6.914 1.00 30.14 H new ATOM 1142 N TYR A 72 -12.468 4.662 7.539 1.00 21.01 N ATOM 1143 CA TYR A 72 -12.603 3.208 7.652 1.00 43.24 C ATOM 1144 C TYR A 72 -13.682 2.675 6.692 1.00 72.11 C ATOM 1145 O TYR A 72 -14.830 3.128 6.716 1.00 31.45 O ATOM 1146 CB TYR A 72 -12.942 2.832 9.103 1.00 12.52 C ATOM 1147 CG TYR A 72 -12.675 1.376 9.438 1.00 62.13 C ATOM 1148 CD1 TYR A 72 -11.398 0.955 9.794 1.00 71.23 C ATOM 1149 CD2 TYR A 72 -13.688 0.425 9.398 1.00 40.31 C ATOM 1150 CE1 TYR A 72 -11.139 -0.366 10.098 1.00 33.15 C ATOM 1151 CE2 TYR A 72 -13.434 -0.899 9.700 1.00 12.30 C ATOM 1152 CZ TYR A 72 -12.159 -1.290 10.049 1.00 31.43 C ATOM 1153 OH TYR A 72 -11.902 -2.611 10.352 1.00 71.24 O ATOM 0 H TYR A 72 -12.821 5.178 8.345 1.00 21.01 H new ATOM 0 HA TYR A 72 -11.655 2.748 7.374 1.00 43.24 H new ATOM 0 HB2 TYR A 72 -12.361 3.462 9.777 1.00 12.52 H new ATOM 0 HB3 TYR A 72 -13.994 3.051 9.289 1.00 12.52 H new ATOM 0 HD1 TYR A 72 -10.594 1.675 9.833 1.00 71.23 H new ATOM 0 HD2 TYR A 72 -14.689 0.726 9.127 1.00 40.31 H new ATOM 0 HE1 TYR A 72 -10.141 -0.674 10.373 1.00 33.15 H new ATOM 0 HE2 TYR A 72 -14.232 -1.626 9.663 1.00 12.30 H new ATOM 0 HH TYR A 72 -12.728 -3.132 10.271 1.00 71.24 H new ATOM 1163 N ASN A 73 -13.301 1.709 5.854 1.00 41.31 N ATOM 1164 CA ASN A 73 -14.186 1.157 4.818 1.00 4.13 C ATOM 1165 C ASN A 73 -14.664 2.240 3.836 1.00 71.12 C ATOM 1166 O ASN A 73 -15.765 2.155 3.285 1.00 33.21 O ATOM 1167 CB ASN A 73 -15.385 0.432 5.453 1.00 62.51 C ATOM 1168 CG ASN A 73 -14.967 -0.785 6.256 1.00 32.21 C ATOM 1169 OD1 ASN A 73 -13.964 -1.425 5.962 1.00 61.22 O ATOM 1170 ND2 ASN A 73 -15.732 -1.116 7.274 1.00 10.52 N ATOM 0 H ASN A 73 -12.373 1.286 5.871 1.00 41.31 H new ATOM 0 HA ASN A 73 -13.605 0.433 4.248 1.00 4.13 H new ATOM 0 HB2 ASN A 73 -15.923 1.124 6.101 1.00 62.51 H new ATOM 0 HB3 ASN A 73 -16.078 0.126 4.669 1.00 62.51 H new ATOM 0 HD21 ASN A 73 -15.497 -1.927 7.846 1.00 10.52 H new ATOM 0 HD22 ASN A 73 -16.560 -0.561 7.491 1.00 10.52 H new ATOM 1177 N ALA A 74 -13.822 3.246 3.604 1.00 21.23 N ATOM 1178 CA ALA A 74 -14.140 4.316 2.649 1.00 75.54 C ATOM 1179 C ALA A 74 -13.885 3.872 1.199 1.00 11.21 C ATOM 1180 O ALA A 74 -13.013 3.036 0.941 1.00 2.22 O ATOM 1181 CB ALA A 74 -13.328 5.564 2.965 1.00 52.22 C ATOM 0 H ALA A 74 -12.916 3.346 4.061 1.00 21.23 H new ATOM 0 HA ALA A 74 -15.201 4.544 2.748 1.00 75.54 H new ATOM 0 HB1 ALA A 74 -13.574 6.349 2.250 1.00 52.22 H new ATOM 0 HB2 ALA A 74 -13.563 5.905 3.973 1.00 52.22 H new ATOM 0 HB3 ALA A 74 -12.265 5.333 2.899 1.00 52.22 H new ATOM 1187 N ARG A 75 -14.646 4.441 0.262 1.00 11.23 N ATOM 1188 CA ARG A 75 -14.509 4.115 -1.165 1.00 73.12 C ATOM 1189 C ARG A 75 -13.182 4.618 -1.753 1.00 54.34 C ATOM 1190 O ARG A 75 -13.006 5.814 -1.984 1.00 43.05 O ATOM 1191 CB ARG A 75 -15.673 4.710 -1.971 1.00 71.14 C ATOM 1192 CG ARG A 75 -17.022 4.070 -1.684 1.00 62.53 C ATOM 1193 CD ARG A 75 -18.125 4.652 -2.564 1.00 32.40 C ATOM 1194 NE ARG A 75 -19.393 3.951 -2.383 1.00 52.35 N ATOM 1195 CZ ARG A 75 -20.490 4.234 -3.032 1.00 31.40 C ATOM 1196 NH1 ARG A 75 -20.522 5.202 -3.888 1.00 72.51 N ATOM 1197 NH2 ARG A 75 -21.563 3.550 -2.819 1.00 22.32 N ATOM 0 H ARG A 75 -15.367 5.133 0.464 1.00 11.23 H new ATOM 0 HA ARG A 75 -14.524 3.028 -1.238 1.00 73.12 H new ATOM 0 HB2 ARG A 75 -15.738 5.777 -1.760 1.00 71.14 H new ATOM 0 HB3 ARG A 75 -15.454 4.608 -3.034 1.00 71.14 H new ATOM 0 HG2 ARG A 75 -16.956 2.994 -1.848 1.00 62.53 H new ATOM 0 HG3 ARG A 75 -17.278 4.218 -0.635 1.00 62.53 H new ATOM 0 HD2 ARG A 75 -18.257 5.708 -2.329 1.00 32.40 H new ATOM 0 HD3 ARG A 75 -17.824 4.593 -3.610 1.00 32.40 H new ATOM 0 HE ARG A 75 -19.424 3.190 -1.705 1.00 52.35 H new ATOM 0 HH11 ARG A 75 -19.683 5.756 -4.063 1.00 72.51 H new ATOM 0 HH12 ARG A 75 -21.386 5.412 -4.388 1.00 72.51 H new ATOM 0 HH21 ARG A 75 -21.555 2.787 -2.143 1.00 22.32 H new ATOM 0 HH22 ARG A 75 -22.419 3.773 -3.327 1.00 22.32 H new ATOM 1211 N VAL A 76 -12.258 3.696 -2.001 1.00 32.03 N ATOM 1212 CA VAL A 76 -10.989 4.014 -2.664 1.00 43.33 C ATOM 1213 C VAL A 76 -10.798 3.164 -3.929 1.00 73.44 C ATOM 1214 O VAL A 76 -11.161 1.990 -3.955 1.00 21.45 O ATOM 1215 CB VAL A 76 -9.775 3.805 -1.717 1.00 75.34 C ATOM 1216 CG1 VAL A 76 -9.862 4.740 -0.512 1.00 60.21 C ATOM 1217 CG2 VAL A 76 -9.669 2.348 -1.266 1.00 31.45 C ATOM 0 H VAL A 76 -12.362 2.712 -1.752 1.00 32.03 H new ATOM 0 HA VAL A 76 -11.036 5.067 -2.941 1.00 43.33 H new ATOM 0 HB VAL A 76 -8.871 4.048 -2.275 1.00 75.34 H new ATOM 0 HG11 VAL A 76 -9.002 4.577 0.138 1.00 60.21 H new ATOM 0 HG12 VAL A 76 -9.867 5.775 -0.854 1.00 60.21 H new ATOM 0 HG13 VAL A 76 -10.779 4.536 0.041 1.00 60.21 H new ATOM 0 HG21 VAL A 76 -8.810 2.233 -0.605 1.00 31.45 H new ATOM 0 HG22 VAL A 76 -10.577 2.065 -0.734 1.00 31.45 H new ATOM 0 HG23 VAL A 76 -9.544 1.706 -2.138 1.00 31.45 H new ATOM 1227 N GLU A 77 -10.245 3.758 -4.979 1.00 53.54 N ATOM 1228 CA GLU A 77 -9.965 3.022 -6.219 1.00 75.33 C ATOM 1229 C GLU A 77 -8.513 3.225 -6.675 1.00 42.24 C ATOM 1230 O GLU A 77 -7.815 4.132 -6.211 1.00 53.41 O ATOM 1231 CB GLU A 77 -10.938 3.435 -7.332 1.00 35.31 C ATOM 1232 CG GLU A 77 -10.852 4.904 -7.737 1.00 74.15 C ATOM 1233 CD GLU A 77 -11.682 5.218 -8.975 1.00 40.11 C ATOM 1234 OE1 GLU A 77 -12.894 5.497 -8.836 1.00 4.31 O ATOM 1235 OE2 GLU A 77 -11.124 5.174 -10.093 1.00 51.01 O ATOM 0 H GLU A 77 -9.980 4.743 -5.003 1.00 53.54 H new ATOM 0 HA GLU A 77 -10.107 1.962 -6.010 1.00 75.33 H new ATOM 0 HB2 GLU A 77 -10.748 2.818 -8.210 1.00 35.31 H new ATOM 0 HB3 GLU A 77 -11.956 3.221 -7.005 1.00 35.31 H new ATOM 0 HG2 GLU A 77 -11.191 5.526 -6.909 1.00 74.15 H new ATOM 0 HG3 GLU A 77 -9.811 5.165 -7.926 1.00 74.15 H new ATOM 1242 N LEU A 78 -8.065 2.370 -7.591 1.00 33.01 N ATOM 1243 CA LEU A 78 -6.672 2.381 -8.053 1.00 42.13 C ATOM 1244 C LEU A 78 -6.526 3.053 -9.424 1.00 60.12 C ATOM 1245 O LEU A 78 -7.315 2.811 -10.334 1.00 35.03 O ATOM 1246 CB LEU A 78 -6.138 0.942 -8.115 1.00 34.34 C ATOM 1247 CG LEU A 78 -6.149 0.187 -6.775 1.00 4.13 C ATOM 1248 CD1 LEU A 78 -5.613 -1.235 -6.936 1.00 62.41 C ATOM 1249 CD2 LEU A 78 -5.351 0.953 -5.727 1.00 5.42 C ATOM 0 H LEU A 78 -8.646 1.657 -8.032 1.00 33.01 H new ATOM 0 HA LEU A 78 -6.089 2.964 -7.340 1.00 42.13 H new ATOM 0 HB2 LEU A 78 -6.732 0.381 -8.836 1.00 34.34 H new ATOM 0 HB3 LEU A 78 -5.116 0.966 -8.493 1.00 34.34 H new ATOM 0 HG LEU A 78 -7.182 0.113 -6.436 1.00 4.13 H new ATOM 0 HD11 LEU A 78 -5.633 -1.743 -5.972 1.00 62.41 H new ATOM 0 HD12 LEU A 78 -6.235 -1.780 -7.646 1.00 62.41 H new ATOM 0 HD13 LEU A 78 -4.588 -1.198 -7.305 1.00 62.41 H new ATOM 0 HD21 LEU A 78 -5.369 0.406 -4.785 1.00 5.42 H new ATOM 0 HD22 LEU A 78 -4.320 1.063 -6.064 1.00 5.42 H new ATOM 0 HD23 LEU A 78 -5.793 1.939 -5.582 1.00 5.42 H new ATOM 1261 N ILE A 79 -5.496 3.889 -9.563 1.00 33.01 N ATOM 1262 CA ILE A 79 -5.215 4.577 -10.828 1.00 31.10 C ATOM 1263 C ILE A 79 -4.689 3.595 -11.900 1.00 52.32 C ATOM 1264 O ILE A 79 -5.425 3.207 -12.806 1.00 44.15 O ATOM 1265 CB ILE A 79 -4.202 5.733 -10.611 1.00 60.22 C ATOM 1266 CG1 ILE A 79 -4.759 6.748 -9.597 1.00 72.23 C ATOM 1267 CG2 ILE A 79 -3.862 6.426 -11.929 1.00 53.21 C ATOM 1268 CD1 ILE A 79 -6.077 7.376 -10.011 1.00 13.24 C ATOM 0 H ILE A 79 -4.840 4.108 -8.814 1.00 33.01 H new ATOM 0 HA ILE A 79 -6.153 4.998 -11.189 1.00 31.10 H new ATOM 0 HB ILE A 79 -3.282 5.305 -10.212 1.00 60.22 H new ATOM 0 HG12 ILE A 79 -4.892 6.251 -8.636 1.00 72.23 H new ATOM 0 HG13 ILE A 79 -4.023 7.538 -9.448 1.00 72.23 H new ATOM 0 HG21 ILE A 79 -3.151 7.231 -11.744 1.00 53.21 H new ATOM 0 HG22 ILE A 79 -3.422 5.704 -12.617 1.00 53.21 H new ATOM 0 HG23 ILE A 79 -4.770 6.839 -12.368 1.00 53.21 H new ATOM 0 HD11 ILE A 79 -6.402 8.079 -9.244 1.00 13.24 H new ATOM 0 HD12 ILE A 79 -5.948 7.904 -10.956 1.00 13.24 H new ATOM 0 HD13 ILE A 79 -6.829 6.597 -10.131 1.00 13.24 H new ATOM 1280 N ASN A 80 -3.417 3.189 -11.791 1.00 42.03 N ATOM 1281 CA ASN A 80 -2.847 2.162 -12.681 1.00 54.10 C ATOM 1282 C ASN A 80 -2.329 0.963 -11.861 1.00 40.22 C ATOM 1283 O ASN A 80 -1.162 0.928 -11.472 1.00 30.40 O ATOM 1284 CB ASN A 80 -1.703 2.731 -13.544 1.00 30.41 C ATOM 1285 CG ASN A 80 -2.126 3.923 -14.386 1.00 2.24 C ATOM 1286 OD1 ASN A 80 -1.827 5.122 -13.925 1.00 61.42 O flip ATOM 1287 ND2 ASN A 80 -2.686 3.770 -15.464 1.00 21.23 N flip ATOM 0 H ASN A 80 -2.763 3.553 -11.098 1.00 42.03 H new ATOM 0 HA ASN A 80 -3.644 1.829 -13.345 1.00 54.10 H new ATOM 0 HB2 ASN A 80 -0.879 3.027 -12.895 1.00 30.41 H new ATOM 0 HB3 ASN A 80 -1.326 1.946 -14.200 1.00 30.41 H new ATOM 0 HD21 ASN A 80 -2.905 2.831 -15.796 1.00 21.23 H new ATOM 0 HD22 ASN A 80 -2.933 4.582 -16.030 1.00 21.23 H new ATOM 1294 N PRO A 81 -3.214 0.001 -11.532 1.00 12.21 N ATOM 1295 CA PRO A 81 -2.854 -1.187 -10.732 1.00 51.41 C ATOM 1296 C PRO A 81 -2.208 -2.334 -11.536 1.00 23.03 C ATOM 1297 O PRO A 81 -2.503 -2.533 -12.716 1.00 25.12 O ATOM 1298 CB PRO A 81 -4.213 -1.626 -10.183 1.00 23.44 C ATOM 1299 CG PRO A 81 -5.181 -1.267 -11.264 1.00 4.54 C ATOM 1300 CD PRO A 81 -4.645 -0.009 -11.909 1.00 5.33 C ATOM 0 HA PRO A 81 -2.097 -0.947 -9.985 1.00 51.41 H new ATOM 0 HB2 PRO A 81 -4.230 -2.695 -9.972 1.00 23.44 H new ATOM 0 HB3 PRO A 81 -4.450 -1.114 -9.251 1.00 23.44 H new ATOM 0 HG2 PRO A 81 -5.266 -2.072 -11.993 1.00 4.54 H new ATOM 0 HG3 PRO A 81 -6.177 -1.101 -10.855 1.00 4.54 H new ATOM 0 HD2 PRO A 81 -4.773 -0.029 -12.991 1.00 5.33 H new ATOM 0 HD3 PRO A 81 -5.161 0.879 -11.543 1.00 5.33 H new ATOM 1308 N ILE A 82 -1.325 -3.092 -10.878 1.00 12.12 N ATOM 1309 CA ILE A 82 -0.814 -4.360 -11.418 1.00 41.24 C ATOM 1310 C ILE A 82 -0.972 -5.482 -10.375 1.00 23.43 C ATOM 1311 O ILE A 82 -0.765 -5.274 -9.178 1.00 73.55 O ATOM 1312 CB ILE A 82 0.675 -4.269 -11.867 1.00 53.34 C ATOM 1313 CG1 ILE A 82 1.593 -3.943 -10.678 1.00 55.11 C ATOM 1314 CG2 ILE A 82 0.837 -3.226 -12.974 1.00 30.43 C ATOM 1315 CD1 ILE A 82 3.069 -3.918 -11.025 1.00 2.02 C ATOM 0 H ILE A 82 -0.946 -2.848 -9.963 1.00 12.12 H new ATOM 0 HA ILE A 82 -1.407 -4.586 -12.305 1.00 41.24 H new ATOM 0 HB ILE A 82 0.969 -5.242 -12.261 1.00 53.34 H new ATOM 0 HG12 ILE A 82 1.310 -2.973 -10.270 1.00 55.11 H new ATOM 0 HG13 ILE A 82 1.428 -4.680 -9.892 1.00 55.11 H new ATOM 0 HG21 ILE A 82 1.883 -3.175 -13.276 1.00 30.43 H new ATOM 0 HG22 ILE A 82 0.225 -3.507 -13.831 1.00 30.43 H new ATOM 0 HG23 ILE A 82 0.518 -2.251 -12.605 1.00 30.43 H new ATOM 0 HD11 ILE A 82 3.649 -3.681 -10.133 1.00 2.02 H new ATOM 0 HD12 ILE A 82 3.370 -4.894 -11.404 1.00 2.02 H new ATOM 0 HD13 ILE A 82 3.251 -3.161 -11.788 1.00 2.02 H new ATOM 1327 N ALA A 83 -1.362 -6.668 -10.839 1.00 12.31 N ATOM 1328 CA ALA A 83 -1.630 -7.803 -9.948 1.00 61.44 C ATOM 1329 C ALA A 83 -0.383 -8.674 -9.741 1.00 44.31 C ATOM 1330 O ALA A 83 0.007 -9.434 -10.628 1.00 33.53 O ATOM 1331 CB ALA A 83 -2.771 -8.645 -10.512 1.00 71.52 C ATOM 0 H ALA A 83 -1.501 -6.871 -11.829 1.00 12.31 H new ATOM 0 HA ALA A 83 -1.916 -7.403 -8.975 1.00 61.44 H new ATOM 0 HB1 ALA A 83 -2.966 -9.486 -9.847 1.00 71.52 H new ATOM 0 HB2 ALA A 83 -3.669 -8.032 -10.595 1.00 71.52 H new ATOM 0 HB3 ALA A 83 -2.495 -9.019 -11.498 1.00 71.52 H new ATOM 1337 N ASP A 84 0.232 -8.572 -8.565 1.00 54.14 N ATOM 1338 CA ASP A 84 1.438 -9.346 -8.235 1.00 74.32 C ATOM 1339 C ASP A 84 1.098 -10.778 -7.774 1.00 11.24 C ATOM 1340 O ASP A 84 1.606 -11.262 -6.760 1.00 50.54 O ATOM 1341 CB ASP A 84 2.228 -8.615 -7.147 1.00 33.34 C ATOM 1342 CG ASP A 84 2.620 -7.213 -7.573 1.00 70.10 C ATOM 1343 OD1 ASP A 84 1.750 -6.317 -7.535 1.00 31.21 O ATOM 1344 OD2 ASP A 84 3.795 -7.009 -7.948 1.00 30.30 O ATOM 0 H ASP A 84 -0.084 -7.957 -7.815 1.00 54.14 H new ATOM 0 HA ASP A 84 2.041 -9.433 -9.139 1.00 74.32 H new ATOM 0 HB2 ASP A 84 1.630 -8.563 -6.237 1.00 33.34 H new ATOM 0 HB3 ASP A 84 3.125 -9.185 -6.906 1.00 33.34 H new ATOM 1522 N TRP A 98 -2.366 -12.195 -1.452 1.00 34.10 N ATOM 1523 CA TRP A 98 -1.494 -11.691 -2.518 1.00 34.25 C ATOM 1524 C TRP A 98 -1.434 -10.158 -2.543 1.00 43.30 C ATOM 1525 O TRP A 98 -2.264 -9.475 -1.932 1.00 53.14 O ATOM 1526 CB TRP A 98 -1.980 -12.224 -3.877 1.00 62.20 C ATOM 1527 CG TRP A 98 -3.424 -11.913 -4.176 1.00 0.02 C ATOM 1528 CD1 TRP A 98 -4.515 -12.278 -3.436 1.00 15.33 C ATOM 1529 CD2 TRP A 98 -3.934 -11.193 -5.305 1.00 72.32 C ATOM 1530 NE1 TRP A 98 -5.665 -11.823 -4.029 1.00 31.04 N ATOM 1531 CE2 TRP A 98 -5.335 -11.155 -5.180 1.00 64.44 C ATOM 1532 CE3 TRP A 98 -3.339 -10.578 -6.409 1.00 61.45 C ATOM 1533 CZ2 TRP A 98 -6.152 -10.523 -6.115 1.00 1.01 C ATOM 1534 CZ3 TRP A 98 -4.151 -9.952 -7.338 1.00 3.12 C ATOM 1535 CH2 TRP A 98 -5.544 -9.929 -7.187 1.00 35.12 C ATOM 0 HA TRP A 98 -0.484 -12.049 -2.318 1.00 34.25 H new ATOM 0 HB2 TRP A 98 -1.357 -11.801 -4.665 1.00 62.20 H new ATOM 0 HB3 TRP A 98 -1.839 -13.304 -3.904 1.00 62.20 H new ATOM 0 HD1 TRP A 98 -4.476 -12.843 -2.517 1.00 15.33 H new ATOM 0 HE1 TRP A 98 -6.611 -11.959 -3.672 1.00 31.04 H new ATOM 0 HE3 TRP A 98 -2.266 -10.591 -6.535 1.00 61.45 H new ATOM 0 HZ2 TRP A 98 -7.225 -10.503 -5.998 1.00 1.01 H new ATOM 0 HZ3 TRP A 98 -3.703 -9.472 -8.196 1.00 3.12 H new ATOM 0 HH2 TRP A 98 -6.149 -9.433 -7.931 1.00 35.12 H new ATOM 1546 N TYR A 99 -0.447 -9.628 -3.269 1.00 33.14 N ATOM 1547 CA TYR A 99 -0.221 -8.178 -3.354 1.00 63.11 C ATOM 1548 C TYR A 99 -0.678 -7.595 -4.703 1.00 34.02 C ATOM 1549 O TYR A 99 -0.729 -8.290 -5.719 1.00 52.44 O ATOM 1550 CB TYR A 99 1.267 -7.851 -3.137 1.00 0.13 C ATOM 1551 CG TYR A 99 1.765 -8.121 -1.728 1.00 5.52 C ATOM 1552 CD1 TYR A 99 2.112 -9.406 -1.323 1.00 21.15 C ATOM 1553 CD2 TYR A 99 1.895 -7.086 -0.805 1.00 34.35 C ATOM 1554 CE1 TYR A 99 2.571 -9.652 -0.043 1.00 45.44 C ATOM 1555 CE2 TYR A 99 2.353 -7.326 0.477 1.00 70.34 C ATOM 1556 CZ TYR A 99 2.692 -8.608 0.852 1.00 12.11 C ATOM 1557 OH TYR A 99 3.147 -8.850 2.129 1.00 51.21 O ATOM 0 H TYR A 99 0.214 -10.184 -3.811 1.00 33.14 H new ATOM 0 HA TYR A 99 -0.820 -7.719 -2.567 1.00 63.11 H new ATOM 0 HB2 TYR A 99 1.862 -8.436 -3.839 1.00 0.13 H new ATOM 0 HB3 TYR A 99 1.435 -6.801 -3.375 1.00 0.13 H new ATOM 0 HD1 TYR A 99 2.021 -10.225 -2.021 1.00 21.15 H new ATOM 0 HD2 TYR A 99 1.634 -6.079 -1.096 1.00 34.35 H new ATOM 0 HE1 TYR A 99 2.834 -10.656 0.256 1.00 45.44 H new ATOM 0 HE2 TYR A 99 2.445 -6.513 1.181 1.00 70.34 H new ATOM 0 HH TYR A 99 3.174 -8.009 2.631 1.00 51.21 H new ATOM 1567 N ILE A 100 -1.012 -6.308 -4.685 1.00 44.02 N ATOM 1568 CA ILE A 100 -1.374 -5.555 -5.890 1.00 22.23 C ATOM 1569 C ILE A 100 -0.681 -4.186 -5.874 1.00 64.20 C ATOM 1570 O ILE A 100 -1.048 -3.306 -5.092 1.00 1.34 O ATOM 1571 CB ILE A 100 -2.907 -5.336 -5.989 1.00 54.00 C ATOM 1572 CG1 ILE A 100 -3.653 -6.681 -5.970 1.00 13.53 C ATOM 1573 CG2 ILE A 100 -3.265 -4.535 -7.244 1.00 10.01 C ATOM 1574 CD1 ILE A 100 -5.159 -6.544 -5.987 1.00 2.51 C ATOM 0 H ILE A 100 -1.040 -5.751 -3.831 1.00 44.02 H new ATOM 0 HA ILE A 100 -1.049 -6.138 -6.752 1.00 22.23 H new ATOM 0 HB ILE A 100 -3.222 -4.760 -5.119 1.00 54.00 H new ATOM 0 HG12 ILE A 100 -3.341 -7.271 -6.832 1.00 13.53 H new ATOM 0 HG13 ILE A 100 -3.358 -7.237 -5.080 1.00 13.53 H new ATOM 0 HG21 ILE A 100 -4.345 -4.395 -7.290 1.00 10.01 H new ATOM 0 HG22 ILE A 100 -2.774 -3.562 -7.207 1.00 10.01 H new ATOM 0 HG23 ILE A 100 -2.931 -5.077 -8.129 1.00 10.01 H new ATOM 0 HD11 ILE A 100 -5.615 -7.534 -5.972 1.00 2.51 H new ATOM 0 HD12 ILE A 100 -5.483 -5.982 -5.111 1.00 2.51 H new ATOM 0 HD13 ILE A 100 -5.466 -6.017 -6.890 1.00 2.51 H new ATOM 1586 N LYS A 101 0.326 -4.002 -6.715 1.00 54.25 N ATOM 1587 CA LYS A 101 1.077 -2.742 -6.739 1.00 24.33 C ATOM 1588 C LYS A 101 0.397 -1.711 -7.649 1.00 43.31 C ATOM 1589 O LYS A 101 0.199 -1.941 -8.840 1.00 32.50 O ATOM 1590 CB LYS A 101 2.528 -2.993 -7.173 1.00 41.41 C ATOM 1591 CG LYS A 101 3.323 -3.817 -6.162 1.00 72.24 C ATOM 1592 CD LYS A 101 4.725 -4.154 -6.664 1.00 2.21 C ATOM 1593 CE LYS A 101 5.565 -2.910 -6.925 1.00 61.15 C ATOM 1594 NZ LYS A 101 5.703 -2.065 -5.711 1.00 13.03 N ATOM 0 H LYS A 101 0.645 -4.699 -7.387 1.00 54.25 H new ATOM 0 HA LYS A 101 1.089 -2.331 -5.730 1.00 24.33 H new ATOM 0 HB2 LYS A 101 2.529 -3.508 -8.134 1.00 41.41 H new ATOM 0 HB3 LYS A 101 3.026 -2.035 -7.324 1.00 41.41 H new ATOM 0 HG2 LYS A 101 3.398 -3.265 -5.225 1.00 72.24 H new ATOM 0 HG3 LYS A 101 2.785 -4.740 -5.946 1.00 72.24 H new ATOM 0 HD2 LYS A 101 5.229 -4.782 -5.929 1.00 2.21 H new ATOM 0 HD3 LYS A 101 4.649 -4.736 -7.582 1.00 2.21 H new ATOM 0 HE2 LYS A 101 6.554 -3.207 -7.274 1.00 61.15 H new ATOM 0 HE3 LYS A 101 5.108 -2.325 -7.723 1.00 61.15 H new ATOM 0 HZ1 LYS A 101 6.620 -1.575 -5.731 1.00 13.03 H new ATOM 0 HZ2 LYS A 101 4.936 -1.363 -5.688 1.00 13.03 H new ATOM 0 HZ3 LYS A 101 5.650 -2.664 -4.863 1.00 13.03 H new ATOM 1608 N ALA A 102 0.028 -0.569 -7.080 1.00 32.34 N ATOM 1609 CA ALA A 102 -0.706 0.459 -7.821 1.00 44.44 C ATOM 1610 C ALA A 102 0.116 1.741 -8.000 1.00 1.30 C ATOM 1611 O ALA A 102 0.889 2.128 -7.124 1.00 71.04 O ATOM 1612 CB ALA A 102 -2.018 0.771 -7.116 1.00 21.35 C ATOM 0 H ALA A 102 0.223 -0.328 -6.108 1.00 32.34 H new ATOM 0 HA ALA A 102 -0.910 0.063 -8.816 1.00 44.44 H new ATOM 0 HB1 ALA A 102 -2.558 1.536 -7.674 1.00 21.35 H new ATOM 0 HB2 ALA A 102 -2.625 -0.133 -7.060 1.00 21.35 H new ATOM 0 HB3 ALA A 102 -1.813 1.133 -6.109 1.00 21.35 H new ATOM 1618 N ASP A 103 -0.054 2.384 -9.152 1.00 64.24 N ATOM 1619 CA ASP A 103 0.546 3.694 -9.421 1.00 73.01 C ATOM 1620 C ASP A 103 0.130 4.726 -8.353 1.00 73.15 C ATOM 1621 O ASP A 103 0.960 5.486 -7.847 1.00 62.12 O ATOM 1622 CB ASP A 103 0.115 4.154 -10.818 1.00 64.24 C ATOM 1623 CG ASP A 103 0.600 5.547 -11.182 1.00 72.11 C ATOM 1624 OD1 ASP A 103 1.809 5.825 -11.039 1.00 44.32 O ATOM 1625 OD2 ASP A 103 -0.230 6.360 -11.637 1.00 55.44 O ATOM 0 H ASP A 103 -0.609 2.016 -9.925 1.00 64.24 H new ATOM 0 HA ASP A 103 1.632 3.609 -9.381 1.00 73.01 H new ATOM 0 HB2 ASP A 103 0.490 3.445 -11.556 1.00 64.24 H new ATOM 0 HB3 ASP A 103 -0.973 4.131 -10.878 1.00 64.24 H new ATOM 1630 N ASP A 104 -1.158 4.731 -8.011 1.00 75.33 N ATOM 1631 CA ASP A 104 -1.694 5.634 -6.987 1.00 61.13 C ATOM 1632 C ASP A 104 -3.098 5.187 -6.539 1.00 14.12 C ATOM 1633 O ASP A 104 -3.794 4.464 -7.259 1.00 64.24 O ATOM 1634 CB ASP A 104 -1.722 7.080 -7.516 1.00 71.44 C ATOM 1635 CG ASP A 104 -2.309 8.075 -6.525 1.00 74.41 C ATOM 1636 OD1 ASP A 104 -2.019 7.960 -5.312 1.00 52.14 O ATOM 1637 OD2 ASP A 104 -3.053 8.979 -6.956 1.00 61.41 O ATOM 0 H ASP A 104 -1.856 4.116 -8.430 1.00 75.33 H new ATOM 0 HA ASP A 104 -1.039 5.596 -6.116 1.00 61.13 H new ATOM 0 HB2 ASP A 104 -0.707 7.386 -7.769 1.00 71.44 H new ATOM 0 HB3 ASP A 104 -2.303 7.111 -8.438 1.00 71.44 H new ATOM 1642 N ILE A 105 -3.497 5.619 -5.342 1.00 34.23 N ATOM 1643 CA ILE A 105 -4.804 5.274 -4.769 1.00 21.41 C ATOM 1644 C ILE A 105 -5.602 6.541 -4.420 1.00 50.12 C ATOM 1645 O ILE A 105 -5.146 7.380 -3.634 1.00 44.40 O ATOM 1646 CB ILE A 105 -4.655 4.419 -3.482 1.00 34.14 C ATOM 1647 CG1 ILE A 105 -3.710 3.231 -3.731 1.00 60.34 C ATOM 1648 CG2 ILE A 105 -6.023 3.931 -2.997 1.00 44.31 C ATOM 1649 CD1 ILE A 105 -3.556 2.305 -2.544 1.00 11.20 C ATOM 0 H ILE A 105 -2.928 6.216 -4.742 1.00 34.23 H new ATOM 0 HA ILE A 105 -5.335 4.696 -5.526 1.00 21.41 H new ATOM 0 HB ILE A 105 -4.221 5.044 -2.702 1.00 34.14 H new ATOM 0 HG12 ILE A 105 -4.081 2.657 -4.580 1.00 60.34 H new ATOM 0 HG13 ILE A 105 -2.728 3.614 -4.010 1.00 60.34 H new ATOM 0 HG21 ILE A 105 -5.897 3.334 -2.094 1.00 44.31 H new ATOM 0 HG22 ILE A 105 -6.659 4.789 -2.779 1.00 44.31 H new ATOM 0 HG23 ILE A 105 -6.488 3.323 -3.773 1.00 44.31 H new ATOM 0 HD11 ILE A 105 -2.874 1.494 -2.801 1.00 11.20 H new ATOM 0 HD12 ILE A 105 -3.154 2.862 -1.698 1.00 11.20 H new ATOM 0 HD13 ILE A 105 -4.528 1.891 -2.277 1.00 11.20 H new ATOM 1661 N VAL A 106 -6.794 6.671 -4.991 1.00 1.01 N ATOM 1662 CA VAL A 106 -7.661 7.832 -4.741 1.00 3.45 C ATOM 1663 C VAL A 106 -9.044 7.396 -4.241 1.00 2.35 C ATOM 1664 O VAL A 106 -9.320 6.204 -4.124 1.00 12.12 O ATOM 1665 CB VAL A 106 -7.836 8.695 -6.019 1.00 31.34 C ATOM 1666 CG1 VAL A 106 -6.493 9.260 -6.479 1.00 13.22 C ATOM 1667 CG2 VAL A 106 -8.499 7.883 -7.135 1.00 62.32 C ATOM 0 H VAL A 106 -7.190 5.986 -5.635 1.00 1.01 H new ATOM 0 HA VAL A 106 -7.171 8.429 -3.972 1.00 3.45 H new ATOM 0 HB VAL A 106 -8.490 9.533 -5.777 1.00 31.34 H new ATOM 0 HG11 VAL A 106 -6.639 9.862 -7.376 1.00 13.22 H new ATOM 0 HG12 VAL A 106 -6.071 9.882 -5.690 1.00 13.22 H new ATOM 0 HG13 VAL A 106 -5.810 8.440 -6.700 1.00 13.22 H new ATOM 0 HG21 VAL A 106 -8.612 8.507 -8.021 1.00 62.32 H new ATOM 0 HG22 VAL A 106 -7.878 7.020 -7.376 1.00 62.32 H new ATOM 0 HG23 VAL A 106 -9.480 7.542 -6.804 1.00 62.32 H new ATOM 1677 N LEU A 107 -9.907 8.360 -3.938 1.00 25.41 N ATOM 1678 CA LEU A 107 -11.295 8.062 -3.565 1.00 3.43 C ATOM 1679 C LEU A 107 -12.131 7.718 -4.806 1.00 54.22 C ATOM 1680 O LEU A 107 -12.005 8.370 -5.845 1.00 74.51 O ATOM 1681 CB LEU A 107 -11.921 9.254 -2.827 1.00 51.24 C ATOM 1682 CG LEU A 107 -11.327 9.559 -1.441 1.00 2.45 C ATOM 1683 CD1 LEU A 107 -11.964 10.809 -0.836 1.00 3.41 C ATOM 1684 CD2 LEU A 107 -11.500 8.361 -0.507 1.00 23.13 C ATOM 0 H LEU A 107 -9.676 9.353 -3.942 1.00 25.41 H new ATOM 0 HA LEU A 107 -11.287 7.198 -2.900 1.00 3.43 H new ATOM 0 HB2 LEU A 107 -11.817 10.141 -3.451 1.00 51.24 H new ATOM 0 HB3 LEU A 107 -12.989 9.068 -2.713 1.00 51.24 H new ATOM 0 HG LEU A 107 -10.261 9.749 -1.564 1.00 2.45 H new ATOM 0 HD11 LEU A 107 -11.527 11.003 0.143 1.00 3.41 H new ATOM 0 HD12 LEU A 107 -11.783 11.662 -1.489 1.00 3.41 H new ATOM 0 HD13 LEU A 107 -13.038 10.655 -0.730 1.00 3.41 H new ATOM 0 HD21 LEU A 107 -11.074 8.596 0.468 1.00 23.13 H new ATOM 0 HD22 LEU A 107 -12.561 8.137 -0.395 1.00 23.13 H new ATOM 0 HD23 LEU A 107 -10.989 7.495 -0.928 1.00 23.13 H new ATOM 1696 N THR A 108 -12.981 6.696 -4.695 1.00 1.00 N ATOM 1697 CA THR A 108 -13.827 6.270 -5.816 1.00 35.30 C ATOM 1698 C THR A 108 -14.665 7.437 -6.357 1.00 5.31 C ATOM 1699 O THR A 108 -15.294 8.171 -5.590 1.00 3.23 O ATOM 1700 CB THR A 108 -14.773 5.107 -5.418 1.00 34.55 C ATOM 1701 OG1 THR A 108 -14.012 4.035 -4.843 1.00 42.21 O ATOM 1702 CG2 THR A 108 -15.546 4.582 -6.626 1.00 41.31 C ATOM 0 H THR A 108 -13.103 6.148 -3.844 1.00 1.00 H new ATOM 0 HA THR A 108 -13.151 5.919 -6.596 1.00 35.30 H new ATOM 0 HB THR A 108 -15.487 5.491 -4.690 1.00 34.55 H new ATOM 0 HG1 THR A 108 -14.615 3.304 -4.592 1.00 42.21 H new ATOM 0 HG21 THR A 108 -16.200 3.768 -6.314 1.00 41.31 H new ATOM 0 HG22 THR A 108 -16.146 5.386 -7.052 1.00 41.31 H new ATOM 0 HG23 THR A 108 -14.845 4.217 -7.376 1.00 41.31 H new