USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 878 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 60 HIS : no HE2:sc= 0.0326 X(o=-2.2,f=-2.6) USER MOD Set 1.2: A 63 ASN : amide:sc= -2.2! C(o=-2.2!,f=-2.8!) USER MOD Single : A 17 GLN : amide:sc= 0.81 K(o=0.81,f=-0.43) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.75) USER MOD Single : A 24 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.4) USER MOD Single : A 26 GLN : amide:sc= -0.828 K(o=-0.83,f=-4.8!) USER MOD Single : A 30 THR OG1 : rot 25:sc= 0.148 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0339 F(o=-1.2!,f=-0.034) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.183 K(o=0.18,f=-1.2) USER MOD Single : A 41 SER OG : rot 57:sc= 0.0316 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.6! C(o=-1.6!,f=-6.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -85:sc= 0.313 USER MOD Single : A 72 SER OG : rot 79:sc= 0.089 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.928 F(o=-1.5,f=-0.93) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -143:sc= -1.54! (180deg=-3.67!) USER MOD Single : A 98 ASN : amide:sc= -0.0792 K(o=-0.079,f=-7.4!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.1) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -1.45 F(o=-3.3!,f=-1.4) USER MOD Single : A 113 CYS SG : rot 102:sc= 0.982 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -4.464 5.896 10.478 1.00 32.21 N ATOM 281 CA GLN A 17 -3.498 4.864 10.099 1.00 24.20 C ATOM 282 C GLN A 17 -2.239 5.488 9.520 1.00 74.00 C ATOM 283 O GLN A 17 -1.130 5.043 9.807 1.00 74.34 O ATOM 284 CB GLN A 17 -4.091 3.904 9.066 1.00 32.01 C ATOM 285 CG GLN A 17 -5.567 3.608 9.263 1.00 60.34 C ATOM 286 CD GLN A 17 -6.452 4.568 8.492 1.00 53.22 C ATOM 287 OE1 GLN A 17 -6.841 5.619 9.002 1.00 11.23 O ATOM 288 NE2 GLN A 17 -6.757 4.220 7.253 1.00 4.24 N ATOM 0 HA GLN A 17 -3.249 4.310 11.004 1.00 24.20 H new ATOM 0 HB2 GLN A 17 -3.947 4.325 8.071 1.00 32.01 H new ATOM 0 HB3 GLN A 17 -3.537 2.966 9.099 1.00 32.01 H new ATOM 0 HG2 GLN A 17 -5.777 2.587 8.944 1.00 60.34 H new ATOM 0 HG3 GLN A 17 -5.809 3.666 10.324 1.00 60.34 H new ATOM 0 HE21 GLN A 17 -6.412 3.339 6.871 1.00 4.24 H new ATOM 0 HE22 GLN A 17 -7.337 4.832 6.679 1.00 4.24 H new ATOM 297 N PHE A 18 -2.428 6.545 8.734 1.00 10.33 N ATOM 298 CA PHE A 18 -1.330 7.208 8.032 1.00 33.42 C ATOM 299 C PHE A 18 -0.235 7.680 8.989 1.00 70.34 C ATOM 300 O PHE A 18 0.919 7.831 8.593 1.00 2.31 O ATOM 301 CB PHE A 18 -1.862 8.396 7.231 1.00 51.21 C ATOM 302 CG PHE A 18 -2.935 8.027 6.244 1.00 43.34 C ATOM 303 CD1 PHE A 18 -2.608 7.462 5.020 1.00 24.34 C ATOM 304 CD2 PHE A 18 -4.271 8.247 6.540 1.00 72.13 C ATOM 305 CE1 PHE A 18 -3.594 7.122 4.113 1.00 32.54 C ATOM 306 CE2 PHE A 18 -5.260 7.911 5.637 1.00 51.11 C ATOM 307 CZ PHE A 18 -4.922 7.348 4.421 1.00 14.13 C ATOM 0 H PHE A 18 -3.342 6.965 8.566 1.00 10.33 H new ATOM 0 HA PHE A 18 -0.887 6.475 7.358 1.00 33.42 H new ATOM 0 HB2 PHE A 18 -2.257 9.141 7.922 1.00 51.21 H new ATOM 0 HB3 PHE A 18 -1.034 8.863 6.697 1.00 51.21 H new ATOM 0 HD1 PHE A 18 -1.571 7.286 4.773 1.00 24.34 H new ATOM 0 HD2 PHE A 18 -4.542 8.687 7.489 1.00 72.13 H new ATOM 0 HE1 PHE A 18 -3.327 6.680 3.164 1.00 32.54 H new ATOM 0 HE2 PHE A 18 -6.297 8.088 5.881 1.00 51.11 H new ATOM 0 HZ PHE A 18 -5.694 7.085 3.713 1.00 14.13 H new ATOM 317 N THR A 19 -0.598 7.912 10.243 1.00 64.24 N ATOM 318 CA THR A 19 0.361 8.354 11.243 1.00 23.33 C ATOM 319 C THR A 19 1.018 7.157 11.935 1.00 61.31 C ATOM 320 O THR A 19 2.212 7.180 12.236 1.00 1.14 O ATOM 321 CB THR A 19 -0.321 9.254 12.292 1.00 4.03 C ATOM 322 OG1 THR A 19 -1.030 10.311 11.631 1.00 3.44 O ATOM 323 CG2 THR A 19 0.699 9.853 13.248 1.00 12.11 C ATOM 0 H THR A 19 -1.550 7.801 10.591 1.00 64.24 H new ATOM 0 HA THR A 19 1.133 8.930 10.732 1.00 23.33 H new ATOM 0 HB THR A 19 -1.015 8.641 12.867 1.00 4.03 H new ATOM 0 HG1 THR A 19 -1.464 10.881 12.299 1.00 3.44 H new ATOM 0 HG21 THR A 19 0.189 10.483 13.977 1.00 12.11 H new ATOM 0 HG22 THR A 19 1.226 9.052 13.767 1.00 12.11 H new ATOM 0 HG23 THR A 19 1.415 10.454 12.687 1.00 12.11 H new ATOM 331 N PHE A 20 0.240 6.101 12.155 1.00 30.45 N ATOM 332 CA PHE A 20 0.728 4.931 12.880 1.00 21.55 C ATOM 333 C PHE A 20 1.557 4.009 11.990 1.00 65.25 C ATOM 334 O PHE A 20 2.664 3.613 12.361 1.00 51.51 O ATOM 335 CB PHE A 20 -0.438 4.154 13.500 1.00 25.52 C ATOM 336 CG PHE A 20 -1.084 4.862 14.658 1.00 21.12 C ATOM 337 CD1 PHE A 20 -0.554 4.752 15.934 1.00 52.44 C ATOM 338 CD2 PHE A 20 -2.215 5.636 14.471 1.00 13.15 C ATOM 339 CE1 PHE A 20 -1.142 5.401 17.001 1.00 43.12 C ATOM 340 CE2 PHE A 20 -2.808 6.288 15.534 1.00 71.23 C ATOM 341 CZ PHE A 20 -2.271 6.172 16.800 1.00 14.31 C ATOM 0 H PHE A 20 -0.728 6.031 11.843 1.00 30.45 H new ATOM 0 HA PHE A 20 1.378 5.296 13.675 1.00 21.55 H new ATOM 0 HB2 PHE A 20 -1.190 3.969 12.733 1.00 25.52 H new ATOM 0 HB3 PHE A 20 -0.078 3.181 13.835 1.00 25.52 H new ATOM 0 HD1 PHE A 20 0.329 4.152 16.095 1.00 52.44 H new ATOM 0 HD2 PHE A 20 -2.639 5.731 13.482 1.00 13.15 H new ATOM 0 HE1 PHE A 20 -0.721 5.306 17.991 1.00 43.12 H new ATOM 0 HE2 PHE A 20 -3.692 6.888 15.375 1.00 71.23 H new ATOM 0 HZ PHE A 20 -2.732 6.683 17.632 1.00 14.31 H new ATOM 351 N VAL A 21 1.042 3.678 10.811 1.00 73.12 N ATOM 352 CA VAL A 21 1.725 2.739 9.924 1.00 55.41 C ATOM 353 C VAL A 21 2.948 3.386 9.282 1.00 42.34 C ATOM 354 O VAL A 21 3.715 2.728 8.588 1.00 1.13 O ATOM 355 CB VAL A 21 0.791 2.189 8.820 1.00 65.54 C ATOM 356 CG1 VAL A 21 -0.455 1.561 9.428 1.00 43.23 C ATOM 357 CG2 VAL A 21 0.415 3.280 7.827 1.00 44.53 C ATOM 0 H VAL A 21 0.161 4.042 10.448 1.00 73.12 H new ATOM 0 HA VAL A 21 2.042 1.901 10.545 1.00 55.41 H new ATOM 0 HB VAL A 21 1.334 1.414 8.279 1.00 65.54 H new ATOM 0 HG11 VAL A 21 -1.096 1.181 8.633 1.00 43.23 H new ATOM 0 HG12 VAL A 21 -0.166 0.740 10.084 1.00 43.23 H new ATOM 0 HG13 VAL A 21 -0.997 2.311 10.004 1.00 43.23 H new ATOM 0 HG21 VAL A 21 -0.242 2.865 7.062 1.00 44.53 H new ATOM 0 HG22 VAL A 21 -0.100 4.086 8.350 1.00 44.53 H new ATOM 0 HG23 VAL A 21 1.317 3.671 7.357 1.00 44.53 H new ATOM 367 N PHE A 22 3.123 4.679 9.525 1.00 3.22 N ATOM 368 CA PHE A 22 4.280 5.397 9.018 1.00 75.24 C ATOM 369 C PHE A 22 5.430 5.316 10.020 1.00 31.33 C ATOM 370 O PHE A 22 6.589 5.550 9.675 1.00 4.44 O ATOM 371 CB PHE A 22 3.918 6.859 8.737 1.00 64.31 C ATOM 372 CG PHE A 22 5.018 7.643 8.072 1.00 25.21 C ATOM 373 CD1 PHE A 22 5.341 7.415 6.744 1.00 74.32 C ATOM 374 CD2 PHE A 22 5.725 8.610 8.772 1.00 42.33 C ATOM 375 CE1 PHE A 22 6.345 8.135 6.126 1.00 24.40 C ATOM 376 CE2 PHE A 22 6.731 9.331 8.159 1.00 24.41 C ATOM 377 CZ PHE A 22 7.041 9.093 6.835 1.00 54.44 C ATOM 0 H PHE A 22 2.477 5.250 10.070 1.00 3.22 H new ATOM 0 HA PHE A 22 4.598 4.934 8.084 1.00 75.24 H new ATOM 0 HB2 PHE A 22 3.031 6.888 8.104 1.00 64.31 H new ATOM 0 HB3 PHE A 22 3.656 7.345 9.677 1.00 64.31 H new ATOM 0 HD1 PHE A 22 4.801 6.665 6.185 1.00 74.32 H new ATOM 0 HD2 PHE A 22 5.486 8.801 9.808 1.00 42.33 H new ATOM 0 HE1 PHE A 22 6.585 7.949 5.090 1.00 24.40 H new ATOM 0 HE2 PHE A 22 7.275 10.080 8.715 1.00 24.41 H new ATOM 0 HZ PHE A 22 7.827 9.656 6.354 1.00 54.44 H new ATOM 387 N GLN A 23 5.104 4.972 11.261 1.00 74.30 N ATOM 388 CA GLN A 23 6.115 4.833 12.299 1.00 22.24 C ATOM 389 C GLN A 23 6.884 3.534 12.108 1.00 41.32 C ATOM 390 O GLN A 23 8.114 3.531 12.064 1.00 21.45 O ATOM 391 CB GLN A 23 5.476 4.873 13.689 1.00 21.45 C ATOM 392 CG GLN A 23 4.763 6.181 13.989 1.00 43.02 C ATOM 393 CD GLN A 23 5.677 7.387 13.870 1.00 2.20 C ATOM 394 OE1 GLN A 23 6.879 7.307 14.139 1.00 42.11 O ATOM 395 NE2 GLN A 23 5.115 8.513 13.457 1.00 53.34 N ATOM 0 H GLN A 23 4.150 4.785 11.571 1.00 74.30 H new ATOM 0 HA GLN A 23 6.809 5.670 12.219 1.00 22.24 H new ATOM 0 HB2 GLN A 23 4.765 4.052 13.777 1.00 21.45 H new ATOM 0 HB3 GLN A 23 6.248 4.708 14.440 1.00 21.45 H new ATOM 0 HG2 GLN A 23 3.923 6.298 13.304 1.00 43.02 H new ATOM 0 HG3 GLN A 23 4.349 6.142 14.997 1.00 43.02 H new ATOM 0 HE21 GLN A 23 4.118 8.537 13.245 1.00 53.34 H new ATOM 0 HE22 GLN A 23 5.680 9.356 13.351 1.00 53.34 H new ATOM 404 N GLN A 24 6.154 2.433 11.996 1.00 62.24 N ATOM 405 CA GLN A 24 6.758 1.147 11.675 1.00 75.32 C ATOM 406 C GLN A 24 6.165 0.598 10.382 1.00 22.34 C ATOM 407 O GLN A 24 5.248 -0.227 10.411 1.00 4.01 O ATOM 408 CB GLN A 24 6.569 0.127 12.808 1.00 13.40 C ATOM 409 CG GLN A 24 7.286 0.488 14.100 1.00 72.12 C ATOM 410 CD GLN A 24 6.536 1.509 14.935 1.00 42.41 C ATOM 411 OE1 GLN A 24 5.308 1.556 14.927 1.00 51.21 O ATOM 412 NE2 GLN A 24 7.273 2.337 15.658 1.00 62.22 N ATOM 0 H GLN A 24 5.142 2.404 12.123 1.00 62.24 H new ATOM 0 HA GLN A 24 7.828 1.310 11.548 1.00 75.32 H new ATOM 0 HB2 GLN A 24 5.504 0.023 13.014 1.00 13.40 H new ATOM 0 HB3 GLN A 24 6.924 -0.846 12.468 1.00 13.40 H new ATOM 0 HG2 GLN A 24 7.434 -0.416 14.690 1.00 72.12 H new ATOM 0 HG3 GLN A 24 8.275 0.879 13.862 1.00 72.12 H new ATOM 0 HE21 GLN A 24 8.290 2.265 15.637 1.00 62.22 H new ATOM 0 HE22 GLN A 24 6.824 3.047 16.236 1.00 62.22 H new ATOM 421 N PRO A 25 6.642 1.091 9.230 1.00 50.30 N ATOM 422 CA PRO A 25 6.154 0.676 7.925 1.00 40.52 C ATOM 423 C PRO A 25 6.993 -0.436 7.300 1.00 4.03 C ATOM 424 O PRO A 25 8.221 -0.448 7.416 1.00 31.03 O ATOM 425 CB PRO A 25 6.290 1.961 7.109 1.00 1.34 C ATOM 426 CG PRO A 25 7.452 2.692 7.710 1.00 1.34 C ATOM 427 CD PRO A 25 7.682 2.122 9.095 1.00 31.14 C ATOM 0 HA PRO A 25 5.146 0.264 7.972 1.00 40.52 H new ATOM 0 HB2 PRO A 25 6.466 1.741 6.056 1.00 1.34 H new ATOM 0 HB3 PRO A 25 5.380 2.558 7.162 1.00 1.34 H new ATOM 0 HG2 PRO A 25 8.342 2.570 7.093 1.00 1.34 H new ATOM 0 HG3 PRO A 25 7.246 3.761 7.765 1.00 1.34 H new ATOM 0 HD2 PRO A 25 8.681 1.697 9.191 1.00 31.14 H new ATOM 0 HD3 PRO A 25 7.587 2.889 9.864 1.00 31.14 H new ATOM 435 N GLN A 26 6.322 -1.373 6.655 1.00 73.51 N ATOM 436 CA GLN A 26 6.998 -2.388 5.865 1.00 65.52 C ATOM 437 C GLN A 26 6.844 -2.081 4.386 1.00 54.01 C ATOM 438 O GLN A 26 5.776 -1.663 3.943 1.00 43.11 O ATOM 439 CB GLN A 26 6.440 -3.777 6.165 1.00 4.12 C ATOM 440 CG GLN A 26 6.820 -4.305 7.535 1.00 20.21 C ATOM 441 CD GLN A 26 6.225 -5.668 7.816 1.00 41.02 C ATOM 442 OE1 GLN A 26 5.138 -5.997 7.338 1.00 74.23 O ATOM 443 NE2 GLN A 26 6.939 -6.477 8.583 1.00 51.44 N ATOM 0 H GLN A 26 5.305 -1.453 6.663 1.00 73.51 H new ATOM 0 HA GLN A 26 8.055 -2.378 6.130 1.00 65.52 H new ATOM 0 HB2 GLN A 26 5.353 -3.747 6.086 1.00 4.12 H new ATOM 0 HB3 GLN A 26 6.796 -4.473 5.406 1.00 4.12 H new ATOM 0 HG2 GLN A 26 7.906 -4.364 7.610 1.00 20.21 H new ATOM 0 HG3 GLN A 26 6.485 -3.602 8.298 1.00 20.21 H new ATOM 0 HE21 GLN A 26 7.835 -6.165 8.959 1.00 51.44 H new ATOM 0 HE22 GLN A 26 6.594 -7.412 8.798 1.00 51.44 H new ATOM 452 N ARG A 27 7.911 -2.279 3.633 1.00 64.33 N ATOM 453 CA ARG A 27 7.897 -2.009 2.209 1.00 52.21 C ATOM 454 C ARG A 27 7.396 -3.242 1.465 1.00 45.53 C ATOM 455 O ARG A 27 8.135 -4.207 1.263 1.00 31.30 O ATOM 456 CB ARG A 27 9.307 -1.611 1.746 1.00 14.51 C ATOM 457 CG ARG A 27 9.365 -0.880 0.409 1.00 24.42 C ATOM 458 CD ARG A 27 9.127 -1.810 -0.768 1.00 42.11 C ATOM 459 NE ARG A 27 10.127 -2.874 -0.830 1.00 43.20 N ATOM 460 CZ ARG A 27 10.108 -3.866 -1.715 1.00 34.41 C ATOM 461 NH1 ARG A 27 9.126 -3.946 -2.600 1.00 73.42 N ATOM 462 NH2 ARG A 27 11.055 -4.788 -1.702 1.00 35.31 N ATOM 0 H ARG A 27 8.802 -2.628 3.987 1.00 64.33 H new ATOM 0 HA ARG A 27 7.223 -1.180 1.992 1.00 52.21 H new ATOM 0 HB2 ARG A 27 9.758 -0.977 2.509 1.00 14.51 H new ATOM 0 HB3 ARG A 27 9.918 -2.511 1.677 1.00 14.51 H new ATOM 0 HG2 ARG A 27 8.618 -0.086 0.399 1.00 24.42 H new ATOM 0 HG3 ARG A 27 10.339 -0.402 0.301 1.00 24.42 H new ATOM 0 HD2 ARG A 27 8.133 -2.250 -0.688 1.00 42.11 H new ATOM 0 HD3 ARG A 27 9.149 -1.236 -1.695 1.00 42.11 H new ATOM 0 HE ARG A 27 10.888 -2.854 -0.151 1.00 43.20 H new ATOM 0 HH11 ARG A 27 8.384 -3.246 -2.603 1.00 73.42 H new ATOM 0 HH12 ARG A 27 9.112 -4.707 -3.279 1.00 73.42 H new ATOM 0 HH21 ARG A 27 11.804 -4.740 -1.011 1.00 35.31 H new ATOM 0 HH22 ARG A 27 11.037 -5.547 -2.383 1.00 35.31 H new ATOM 476 N ALA A 28 6.130 -3.219 1.084 1.00 53.11 N ATOM 477 CA ALA A 28 5.523 -4.352 0.406 1.00 3.32 C ATOM 478 C ALA A 28 5.362 -4.089 -1.086 1.00 1.51 C ATOM 479 O ALA A 28 5.112 -2.958 -1.506 1.00 13.01 O ATOM 480 CB ALA A 28 4.173 -4.673 1.027 1.00 51.42 C ATOM 0 H ALA A 28 5.503 -2.429 1.233 1.00 53.11 H new ATOM 0 HA ALA A 28 6.188 -5.207 0.526 1.00 3.32 H new ATOM 0 HB1 ALA A 28 3.728 -5.524 0.511 1.00 51.42 H new ATOM 0 HB2 ALA A 28 4.306 -4.917 2.081 1.00 51.42 H new ATOM 0 HB3 ALA A 28 3.516 -3.808 0.935 1.00 51.42 H new ATOM 486 N GLY A 29 5.526 -5.140 -1.880 1.00 73.44 N ATOM 487 CA GLY A 29 5.264 -5.051 -3.304 1.00 53.01 C ATOM 488 C GLY A 29 6.471 -4.624 -4.109 1.00 34.33 C ATOM 489 O GLY A 29 7.397 -5.407 -4.317 1.00 35.14 O ATOM 0 H GLY A 29 5.838 -6.057 -1.561 1.00 73.44 H new ATOM 0 HA2 GLY A 29 4.920 -6.021 -3.664 1.00 53.01 H new ATOM 0 HA3 GLY A 29 4.454 -4.342 -3.474 1.00 53.01 H new ATOM 493 N THR A 30 6.469 -3.374 -4.548 1.00 4.34 N ATOM 494 CA THR A 30 7.525 -2.864 -5.412 1.00 52.50 C ATOM 495 C THR A 30 8.109 -1.567 -4.860 1.00 24.43 C ATOM 496 O THR A 30 7.514 -0.941 -3.988 1.00 75.01 O ATOM 497 CB THR A 30 6.994 -2.624 -6.840 1.00 73.30 C ATOM 498 OG1 THR A 30 5.753 -1.910 -6.791 1.00 33.11 O ATOM 499 CG2 THR A 30 6.808 -3.939 -7.583 1.00 2.34 C ATOM 0 H THR A 30 5.746 -2.692 -4.320 1.00 4.34 H new ATOM 0 HA THR A 30 8.313 -3.616 -5.445 1.00 52.50 H new ATOM 0 HB THR A 30 7.730 -2.028 -7.379 1.00 73.30 H new ATOM 0 HG1 THR A 30 5.704 -1.396 -5.958 1.00 33.11 H new ATOM 0 HG21 THR A 30 6.433 -3.740 -8.587 1.00 2.34 H new ATOM 0 HG22 THR A 30 7.764 -4.458 -7.649 1.00 2.34 H new ATOM 0 HG23 THR A 30 6.093 -4.563 -7.046 1.00 2.34 H new ATOM 507 N PRO A 31 9.298 -1.163 -5.343 1.00 12.34 N ATOM 508 CA PRO A 31 9.935 0.090 -4.936 1.00 43.43 C ATOM 509 C PRO A 31 9.488 1.294 -5.778 1.00 70.14 C ATOM 510 O PRO A 31 9.790 2.441 -5.445 1.00 34.24 O ATOM 511 CB PRO A 31 11.413 -0.210 -5.159 1.00 24.12 C ATOM 512 CG PRO A 31 11.440 -1.141 -6.325 1.00 0.10 C ATOM 513 CD PRO A 31 10.148 -1.921 -6.287 1.00 62.31 C ATOM 0 HA PRO A 31 9.680 0.372 -3.915 1.00 43.43 H new ATOM 0 HB2 PRO A 31 11.975 0.701 -5.367 1.00 24.12 H new ATOM 0 HB3 PRO A 31 11.862 -0.667 -4.277 1.00 24.12 H new ATOM 0 HG2 PRO A 31 11.531 -0.588 -7.260 1.00 0.10 H new ATOM 0 HG3 PRO A 31 12.298 -1.810 -6.266 1.00 0.10 H new ATOM 0 HD2 PRO A 31 9.690 -1.983 -7.274 1.00 62.31 H new ATOM 0 HD3 PRO A 31 10.309 -2.944 -5.946 1.00 62.31 H new ATOM 521 N GLN A 32 8.775 1.032 -6.868 1.00 12.32 N ATOM 522 CA GLN A 32 8.282 2.102 -7.735 1.00 5.12 C ATOM 523 C GLN A 32 6.908 2.568 -7.267 1.00 73.03 C ATOM 524 O GLN A 32 6.574 3.751 -7.351 1.00 72.41 O ATOM 525 CB GLN A 32 8.252 1.645 -9.197 1.00 21.33 C ATOM 526 CG GLN A 32 7.614 0.281 -9.410 1.00 34.31 C ATOM 527 CD GLN A 32 7.771 -0.237 -10.831 1.00 20.14 C ATOM 528 OE1 GLN A 32 8.877 0.100 -11.478 1.00 45.51 O flip ATOM 529 NE2 GLN A 32 6.913 -0.952 -11.337 1.00 65.22 N flip ATOM 0 H GLN A 32 8.525 0.092 -7.174 1.00 12.32 H new ATOM 0 HA GLN A 32 8.965 2.949 -7.671 1.00 5.12 H new ATOM 0 HB2 GLN A 32 7.709 2.384 -9.786 1.00 21.33 H new ATOM 0 HB3 GLN A 32 9.272 1.620 -9.579 1.00 21.33 H new ATOM 0 HG2 GLN A 32 8.060 -0.434 -8.718 1.00 34.31 H new ATOM 0 HG3 GLN A 32 6.553 0.341 -9.167 1.00 34.31 H new ATOM 0 HE21 GLN A 32 6.073 -1.192 -10.810 1.00 65.22 H new ATOM 0 HE22 GLN A 32 7.039 -1.307 -12.285 1.00 65.22 H new ATOM 538 N ILE A 33 6.121 1.626 -6.777 1.00 63.12 N ATOM 539 CA ILE A 33 4.885 1.936 -6.080 1.00 41.24 C ATOM 540 C ILE A 33 4.879 1.185 -4.751 1.00 23.00 C ATOM 541 O ILE A 33 4.775 -0.044 -4.712 1.00 72.01 O ATOM 542 CB ILE A 33 3.630 1.613 -6.933 1.00 24.41 C ATOM 543 CG1 ILE A 33 2.348 1.786 -6.108 1.00 72.10 C ATOM 544 CG2 ILE A 33 3.705 0.216 -7.534 1.00 22.24 C ATOM 545 CD1 ILE A 33 1.081 1.572 -6.906 1.00 50.13 C ATOM 0 H ILE A 33 6.320 0.628 -6.851 1.00 63.12 H new ATOM 0 HA ILE A 33 4.840 3.009 -5.893 1.00 41.24 H new ATOM 0 HB ILE A 33 3.603 2.324 -7.759 1.00 24.41 H new ATOM 0 HG12 ILE A 33 2.365 1.084 -5.274 1.00 72.10 H new ATOM 0 HG13 ILE A 33 2.333 2.789 -5.681 1.00 72.10 H new ATOM 0 HG21 ILE A 33 2.809 0.025 -8.125 1.00 22.24 H new ATOM 0 HG22 ILE A 33 4.584 0.142 -8.174 1.00 22.24 H new ATOM 0 HG23 ILE A 33 3.776 -0.521 -6.734 1.00 22.24 H new ATOM 0 HD11 ILE A 33 0.215 1.710 -6.258 1.00 50.13 H new ATOM 0 HD12 ILE A 33 1.041 2.291 -7.724 1.00 50.13 H new ATOM 0 HD13 ILE A 33 1.073 0.560 -7.311 1.00 50.13 H new ATOM 557 N THR A 34 5.040 1.931 -3.673 1.00 1.13 N ATOM 558 CA THR A 34 5.312 1.349 -2.374 1.00 21.54 C ATOM 559 C THR A 34 4.045 1.184 -1.545 1.00 55.51 C ATOM 560 O THR A 34 3.314 2.145 -1.309 1.00 22.12 O ATOM 561 CB THR A 34 6.302 2.231 -1.591 1.00 32.51 C ATOM 562 OG1 THR A 34 7.385 2.633 -2.444 1.00 41.04 O ATOM 563 CG2 THR A 34 6.859 1.492 -0.386 1.00 73.24 C ATOM 0 H THR A 34 4.986 2.950 -3.674 1.00 1.13 H new ATOM 0 HA THR A 34 5.741 0.363 -2.552 1.00 21.54 H new ATOM 0 HB THR A 34 5.762 3.111 -1.242 1.00 32.51 H new ATOM 0 HG1 THR A 34 8.009 3.195 -1.938 1.00 41.04 H new ATOM 0 HG21 THR A 34 7.555 2.139 0.148 1.00 73.24 H new ATOM 0 HG22 THR A 34 6.042 1.212 0.279 1.00 73.24 H new ATOM 0 HG23 THR A 34 7.380 0.594 -0.719 1.00 73.24 H new ATOM 571 N ILE A 35 3.789 -0.040 -1.109 1.00 11.32 N ATOM 572 CA ILE A 35 2.695 -0.310 -0.196 1.00 51.04 C ATOM 573 C ILE A 35 3.241 -0.435 1.221 1.00 23.32 C ATOM 574 O ILE A 35 4.085 -1.290 1.490 1.00 23.33 O ATOM 575 CB ILE A 35 1.918 -1.600 -0.568 1.00 65.22 C ATOM 576 CG1 ILE A 35 1.209 -1.458 -1.924 1.00 72.20 C ATOM 577 CG2 ILE A 35 0.907 -1.951 0.518 1.00 54.14 C ATOM 578 CD1 ILE A 35 2.125 -1.579 -3.125 1.00 51.32 C ATOM 0 H ILE A 35 4.328 -0.864 -1.376 1.00 11.32 H new ATOM 0 HA ILE A 35 1.995 0.523 -0.265 1.00 51.04 H new ATOM 0 HB ILE A 35 2.645 -2.408 -0.649 1.00 65.22 H new ATOM 0 HG12 ILE A 35 0.433 -2.220 -1.996 1.00 72.20 H new ATOM 0 HG13 ILE A 35 0.709 -0.490 -1.959 1.00 72.20 H new ATOM 0 HG21 ILE A 35 0.373 -2.859 0.238 1.00 54.14 H new ATOM 0 HG22 ILE A 35 1.428 -2.113 1.462 1.00 54.14 H new ATOM 0 HG23 ILE A 35 0.197 -1.132 0.632 1.00 54.14 H new ATOM 0 HD11 ILE A 35 1.543 -1.467 -4.040 1.00 51.32 H new ATOM 0 HD12 ILE A 35 2.887 -0.800 -3.082 1.00 51.32 H new ATOM 0 HD13 ILE A 35 2.606 -2.557 -3.119 1.00 51.32 H new ATOM 590 N LEU A 36 2.786 0.436 2.111 1.00 62.12 N ATOM 591 CA LEU A 36 3.256 0.437 3.491 1.00 51.53 C ATOM 592 C LEU A 36 2.179 -0.118 4.416 1.00 24.24 C ATOM 593 O LEU A 36 1.002 0.225 4.292 1.00 30.11 O ATOM 594 CB LEU A 36 3.642 1.853 3.958 1.00 2.44 C ATOM 595 CG LEU A 36 4.835 2.515 3.252 1.00 11.53 C ATOM 596 CD1 LEU A 36 6.026 1.572 3.190 1.00 21.43 C ATOM 597 CD2 LEU A 36 4.447 3.002 1.864 1.00 41.24 C ATOM 0 H LEU A 36 2.091 1.153 1.902 1.00 62.12 H new ATOM 0 HA LEU A 36 4.143 -0.195 3.533 1.00 51.53 H new ATOM 0 HB2 LEU A 36 2.773 2.500 3.835 1.00 2.44 H new ATOM 0 HB3 LEU A 36 3.860 1.811 5.025 1.00 2.44 H new ATOM 0 HG LEU A 36 5.130 3.385 3.839 1.00 11.53 H new ATOM 0 HD11 LEU A 36 6.856 2.067 2.685 1.00 21.43 H new ATOM 0 HD12 LEU A 36 6.327 1.299 4.201 1.00 21.43 H new ATOM 0 HD13 LEU A 36 5.750 0.673 2.639 1.00 21.43 H new ATOM 0 HD21 LEU A 36 5.310 3.466 1.387 1.00 41.24 H new ATOM 0 HD22 LEU A 36 4.111 2.157 1.263 1.00 41.24 H new ATOM 0 HD23 LEU A 36 3.642 3.732 1.946 1.00 41.24 H new ATOM 609 N GLY A 37 2.585 -0.980 5.335 1.00 45.03 N ATOM 610 CA GLY A 37 1.657 -1.515 6.305 1.00 11.04 C ATOM 611 C GLY A 37 2.290 -2.585 7.165 1.00 41.43 C ATOM 612 O GLY A 37 3.490 -2.831 7.065 1.00 34.33 O ATOM 0 H GLY A 37 3.543 -1.319 5.425 1.00 45.03 H new ATOM 0 HA2 GLY A 37 1.292 -0.708 6.941 1.00 11.04 H new ATOM 0 HA3 GLY A 37 0.792 -1.930 5.788 1.00 11.04 H new ATOM 616 N ARG A 38 1.476 -3.207 8.011 1.00 1.54 N ATOM 617 CA ARG A 38 1.920 -4.290 8.882 1.00 5.44 C ATOM 618 C ARG A 38 0.716 -4.944 9.550 1.00 61.34 C ATOM 619 O ARG A 38 0.342 -6.064 9.214 1.00 54.12 O ATOM 620 CB ARG A 38 2.901 -3.777 9.948 1.00 31.51 C ATOM 621 CG ARG A 38 3.214 -4.781 11.059 1.00 3.24 C ATOM 622 CD ARG A 38 4.167 -5.886 10.618 1.00 23.43 C ATOM 623 NE ARG A 38 3.616 -6.740 9.562 1.00 51.32 N ATOM 624 CZ ARG A 38 3.249 -8.010 9.748 1.00 62.35 C ATOM 625 NH1 ARG A 38 3.271 -8.538 10.963 1.00 5.40 N ATOM 626 NH2 ARG A 38 2.839 -8.744 8.720 1.00 52.14 N ATOM 0 H ARG A 38 0.488 -2.974 8.113 1.00 1.54 H new ATOM 0 HA ARG A 38 2.440 -5.028 8.272 1.00 5.44 H new ATOM 0 HB2 ARG A 38 3.833 -3.493 9.459 1.00 31.51 H new ATOM 0 HB3 ARG A 38 2.489 -2.874 10.398 1.00 31.51 H new ATOM 0 HG2 ARG A 38 3.649 -4.251 11.907 1.00 3.24 H new ATOM 0 HG3 ARG A 38 2.284 -5.230 11.407 1.00 3.24 H new ATOM 0 HD2 ARG A 38 5.095 -5.436 10.265 1.00 23.43 H new ATOM 0 HD3 ARG A 38 4.420 -6.503 11.480 1.00 23.43 H new ATOM 0 HE ARG A 38 3.506 -6.340 8.630 1.00 51.32 H new ATOM 0 HH11 ARG A 38 3.569 -7.974 11.759 1.00 5.40 H new ATOM 0 HH12 ARG A 38 2.990 -9.509 11.102 1.00 5.40 H new ATOM 0 HH21 ARG A 38 2.804 -8.338 7.785 1.00 52.14 H new ATOM 0 HH22 ARG A 38 2.559 -9.714 8.865 1.00 52.14 H new ATOM 640 N LEU A 39 0.101 -4.224 10.482 1.00 41.12 N ATOM 641 CA LEU A 39 -1.034 -4.746 11.226 1.00 31.11 C ATOM 642 C LEU A 39 -1.868 -3.588 11.757 1.00 31.15 C ATOM 643 O LEU A 39 -1.427 -2.856 12.639 1.00 65.43 O ATOM 644 CB LEU A 39 -0.539 -5.620 12.391 1.00 63.35 C ATOM 645 CG LEU A 39 -1.456 -6.781 12.804 1.00 61.35 C ATOM 646 CD1 LEU A 39 -2.827 -6.283 13.245 1.00 42.15 C ATOM 647 CD2 LEU A 39 -1.587 -7.783 11.665 1.00 20.15 C ATOM 0 H LEU A 39 0.372 -3.275 10.739 1.00 41.12 H new ATOM 0 HA LEU A 39 -1.649 -5.358 10.566 1.00 31.11 H new ATOM 0 HB2 LEU A 39 0.434 -6.031 12.122 1.00 63.35 H new ATOM 0 HB3 LEU A 39 -0.385 -4.979 13.259 1.00 63.35 H new ATOM 0 HG LEU A 39 -0.999 -7.280 13.659 1.00 61.35 H new ATOM 0 HD11 LEU A 39 -3.448 -7.132 13.530 1.00 42.15 H new ATOM 0 HD12 LEU A 39 -2.714 -5.614 14.098 1.00 42.15 H new ATOM 0 HD13 LEU A 39 -3.301 -5.746 12.423 1.00 42.15 H new ATOM 0 HD21 LEU A 39 -2.240 -8.600 11.972 1.00 20.15 H new ATOM 0 HD22 LEU A 39 -2.012 -7.288 10.792 1.00 20.15 H new ATOM 0 HD23 LEU A 39 -0.603 -8.179 11.414 1.00 20.15 H new ATOM 659 N ASN A 40 -3.054 -3.415 11.197 1.00 32.11 N ATOM 660 CA ASN A 40 -3.968 -2.378 11.654 1.00 51.11 C ATOM 661 C ASN A 40 -5.393 -2.903 11.660 1.00 31.21 C ATOM 662 O ASN A 40 -5.960 -3.197 10.607 1.00 31.10 O ATOM 663 CB ASN A 40 -3.887 -1.136 10.767 1.00 41.33 C ATOM 664 CG ASN A 40 -4.752 -0.010 11.305 1.00 34.34 C ATOM 665 OD1 ASN A 40 -4.861 0.173 12.518 1.00 12.22 O ATOM 666 ND2 ASN A 40 -5.400 0.728 10.422 1.00 74.34 N ATOM 0 H ASN A 40 -3.408 -3.979 10.424 1.00 32.11 H new ATOM 0 HA ASN A 40 -3.675 -2.099 12.666 1.00 51.11 H new ATOM 0 HB2 ASN A 40 -2.852 -0.801 10.702 1.00 41.33 H new ATOM 0 HB3 ASN A 40 -4.205 -1.389 9.755 1.00 41.33 H new ATOM 0 HD21 ASN A 40 -6.015 1.478 10.737 1.00 74.34 H new ATOM 0 HD22 ASN A 40 -5.286 0.548 9.425 1.00 74.34 H new ATOM 673 N SER A 41 -5.970 -3.019 12.842 1.00 23.22 N ATOM 674 CA SER A 41 -7.316 -3.543 12.986 1.00 43.02 C ATOM 675 C SER A 41 -8.362 -2.474 12.670 1.00 72.24 C ATOM 676 O SER A 41 -9.085 -2.012 13.554 1.00 41.01 O ATOM 677 CB SER A 41 -7.503 -4.089 14.401 1.00 3.20 C ATOM 678 OG SER A 41 -7.008 -3.172 15.366 1.00 41.11 O ATOM 0 H SER A 41 -5.525 -2.756 13.721 1.00 23.22 H new ATOM 0 HA SER A 41 -7.455 -4.354 12.271 1.00 43.02 H new ATOM 0 HB2 SER A 41 -8.560 -4.281 14.584 1.00 3.20 H new ATOM 0 HB3 SER A 41 -6.984 -5.042 14.499 1.00 3.20 H new ATOM 0 HG SER A 41 -7.452 -2.306 15.252 1.00 41.11 H new ATOM 684 N LEU A 42 -8.416 -2.069 11.405 1.00 22.44 N ATOM 685 CA LEU A 42 -9.387 -1.083 10.958 1.00 34.01 C ATOM 686 C LEU A 42 -10.745 -1.743 10.762 1.00 23.41 C ATOM 687 O LEU A 42 -11.787 -1.119 10.952 1.00 50.42 O ATOM 688 CB LEU A 42 -8.930 -0.428 9.649 1.00 21.42 C ATOM 689 CG LEU A 42 -9.818 0.717 9.154 1.00 40.43 C ATOM 690 CD1 LEU A 42 -9.770 1.886 10.128 1.00 74.02 C ATOM 691 CD2 LEU A 42 -9.394 1.156 7.762 1.00 5.45 C ATOM 0 H LEU A 42 -7.796 -2.411 10.671 1.00 22.44 H new ATOM 0 HA LEU A 42 -9.470 -0.309 11.721 1.00 34.01 H new ATOM 0 HB2 LEU A 42 -7.917 -0.050 9.784 1.00 21.42 H new ATOM 0 HB3 LEU A 42 -8.884 -1.193 8.874 1.00 21.42 H new ATOM 0 HG LEU A 42 -10.846 0.360 9.099 1.00 40.43 H new ATOM 0 HD11 LEU A 42 -10.406 2.691 9.761 1.00 74.02 H new ATOM 0 HD12 LEU A 42 -10.125 1.560 11.106 1.00 74.02 H new ATOM 0 HD13 LEU A 42 -8.745 2.245 10.215 1.00 74.02 H new ATOM 0 HD21 LEU A 42 -10.036 1.970 7.426 1.00 5.45 H new ATOM 0 HD22 LEU A 42 -8.359 1.497 7.787 1.00 5.45 H new ATOM 0 HD23 LEU A 42 -9.483 0.316 7.073 1.00 5.45 H new ATOM 703 N GLY A 43 -10.721 -3.012 10.371 1.00 23.22 N ATOM 704 CA GLY A 43 -11.950 -3.751 10.166 1.00 10.31 C ATOM 705 C GLY A 43 -12.432 -3.664 8.734 1.00 55.13 C ATOM 706 O GLY A 43 -13.274 -4.450 8.297 1.00 71.42 O ATOM 0 H GLY A 43 -9.869 -3.543 10.192 1.00 23.22 H new ATOM 0 HA2 GLY A 43 -11.793 -4.796 10.433 1.00 10.31 H new ATOM 0 HA3 GLY A 43 -12.721 -3.364 10.832 1.00 10.31 H new ATOM 710 N HIS A 44 -11.893 -2.706 8.000 1.00 11.23 N ATOM 711 CA HIS A 44 -12.280 -2.495 6.617 1.00 31.03 C ATOM 712 C HIS A 44 -11.050 -2.503 5.730 1.00 62.10 C ATOM 713 O HIS A 44 -10.196 -1.625 5.849 1.00 1.22 O ATOM 714 CB HIS A 44 -13.021 -1.160 6.453 1.00 65.44 C ATOM 715 CG HIS A 44 -14.210 -1.007 7.351 1.00 21.44 C ATOM 716 ND1 HIS A 44 -14.410 0.095 8.150 1.00 0.40 N ATOM 717 CD2 HIS A 44 -15.264 -1.826 7.574 1.00 41.31 C ATOM 718 CE1 HIS A 44 -15.529 -0.056 8.832 1.00 14.54 C ATOM 719 NE2 HIS A 44 -16.070 -1.215 8.503 1.00 63.45 N ATOM 0 H HIS A 44 -11.182 -2.059 8.342 1.00 11.23 H new ATOM 0 HA HIS A 44 -12.949 -3.303 6.323 1.00 31.03 H new ATOM 0 HB2 HIS A 44 -12.325 -0.344 6.647 1.00 65.44 H new ATOM 0 HB3 HIS A 44 -13.346 -1.062 5.417 1.00 65.44 H new ATOM 0 HD2 HIS A 44 -15.439 -2.784 7.107 1.00 41.31 H new ATOM 0 HE1 HIS A 44 -15.935 0.650 9.541 1.00 14.54 H new ATOM 0 HE2 HIS A 44 -16.941 -1.593 8.876 1.00 63.45 H new ATOM 728 N PRO A 45 -10.928 -3.505 4.848 1.00 2.21 N ATOM 729 CA PRO A 45 -9.831 -3.572 3.882 1.00 24.53 C ATOM 730 C PRO A 45 -9.866 -2.373 2.943 1.00 64.14 C ATOM 731 O PRO A 45 -10.742 -2.269 2.077 1.00 31.21 O ATOM 732 CB PRO A 45 -10.093 -4.871 3.110 1.00 70.41 C ATOM 733 CG PRO A 45 -11.020 -5.656 3.974 1.00 63.34 C ATOM 734 CD PRO A 45 -11.845 -4.647 4.716 1.00 73.02 C ATOM 0 HA PRO A 45 -8.851 -3.557 4.359 1.00 24.53 H new ATOM 0 HB2 PRO A 45 -10.539 -4.668 2.136 1.00 70.41 H new ATOM 0 HB3 PRO A 45 -9.166 -5.416 2.929 1.00 70.41 H new ATOM 0 HG2 PRO A 45 -11.651 -6.312 3.374 1.00 63.34 H new ATOM 0 HG3 PRO A 45 -10.466 -6.291 4.665 1.00 63.34 H new ATOM 0 HD2 PRO A 45 -12.747 -4.379 4.165 1.00 73.02 H new ATOM 0 HD3 PRO A 45 -12.165 -5.023 5.688 1.00 73.02 H new ATOM 742 N ARG A 46 -8.943 -1.448 3.134 1.00 33.32 N ATOM 743 CA ARG A 46 -8.974 -0.204 2.391 1.00 61.21 C ATOM 744 C ARG A 46 -7.615 0.105 1.781 1.00 75.43 C ATOM 745 O ARG A 46 -6.574 -0.210 2.358 1.00 3.42 O ATOM 746 CB ARG A 46 -9.414 0.941 3.308 1.00 53.13 C ATOM 747 CG ARG A 46 -10.210 2.025 2.595 1.00 15.53 C ATOM 748 CD ARG A 46 -11.666 1.621 2.375 1.00 71.22 C ATOM 749 NE ARG A 46 -11.798 0.341 1.671 1.00 55.42 N ATOM 750 CZ ARG A 46 -12.575 0.146 0.605 1.00 50.22 C ATOM 751 NH1 ARG A 46 -13.305 1.144 0.115 1.00 74.32 N ATOM 752 NH2 ARG A 46 -12.631 -1.054 0.037 1.00 12.33 N ATOM 0 H ARG A 46 -8.169 -1.534 3.792 1.00 33.32 H new ATOM 0 HA ARG A 46 -9.692 -0.310 1.578 1.00 61.21 H new ATOM 0 HB2 ARG A 46 -10.018 0.534 4.119 1.00 53.13 H new ATOM 0 HB3 ARG A 46 -8.531 1.390 3.762 1.00 53.13 H new ATOM 0 HG2 ARG A 46 -10.174 2.944 3.180 1.00 15.53 H new ATOM 0 HG3 ARG A 46 -9.745 2.241 1.633 1.00 15.53 H new ATOM 0 HD2 ARG A 46 -12.170 1.554 3.339 1.00 71.22 H new ATOM 0 HD3 ARG A 46 -12.172 2.399 1.804 1.00 71.22 H new ATOM 0 HE ARG A 46 -11.260 -0.452 2.020 1.00 55.42 H new ATOM 0 HH11 ARG A 46 -13.272 2.064 0.555 1.00 74.32 H new ATOM 0 HH12 ARG A 46 -13.898 0.990 -0.701 1.00 74.32 H new ATOM 0 HH21 ARG A 46 -12.080 -1.824 0.417 1.00 12.33 H new ATOM 0 HH22 ARG A 46 -13.225 -1.205 -0.778 1.00 12.33 H new ATOM 766 N ILE A 47 -7.638 0.702 0.602 1.00 61.03 N ATOM 767 CA ILE A 47 -6.420 1.127 -0.060 1.00 1.42 C ATOM 768 C ILE A 47 -6.179 2.616 0.181 1.00 64.14 C ATOM 769 O ILE A 47 -6.918 3.471 -0.309 1.00 23.44 O ATOM 770 CB ILE A 47 -6.459 0.822 -1.580 1.00 22.22 C ATOM 771 CG1 ILE A 47 -5.234 1.421 -2.283 1.00 31.15 C ATOM 772 CG2 ILE A 47 -7.753 1.325 -2.210 1.00 43.23 C ATOM 773 CD1 ILE A 47 -5.213 1.191 -3.780 1.00 22.22 C ATOM 0 H ILE A 47 -8.492 0.904 0.082 1.00 61.03 H new ATOM 0 HA ILE A 47 -5.593 0.560 0.368 1.00 1.42 H new ATOM 0 HB ILE A 47 -6.429 -0.260 -1.708 1.00 22.22 H new ATOM 0 HG12 ILE A 47 -5.204 2.493 -2.089 1.00 31.15 H new ATOM 0 HG13 ILE A 47 -4.331 0.993 -1.847 1.00 31.15 H new ATOM 0 HG21 ILE A 47 -7.751 1.097 -3.276 1.00 43.23 H new ATOM 0 HG22 ILE A 47 -8.603 0.835 -1.735 1.00 43.23 H new ATOM 0 HG23 ILE A 47 -7.831 2.403 -2.070 1.00 43.23 H new ATOM 0 HD11 ILE A 47 -4.317 1.644 -4.205 1.00 22.22 H new ATOM 0 HD12 ILE A 47 -5.210 0.120 -3.984 1.00 22.22 H new ATOM 0 HD13 ILE A 47 -6.097 1.644 -4.230 1.00 22.22 H new ATOM 785 N GLY A 48 -5.154 2.918 0.960 1.00 31.14 N ATOM 786 CA GLY A 48 -4.826 4.296 1.253 1.00 71.23 C ATOM 787 C GLY A 48 -3.872 4.878 0.235 1.00 54.23 C ATOM 788 O GLY A 48 -2.741 5.234 0.564 1.00 73.24 O ATOM 0 H GLY A 48 -4.540 2.230 1.397 1.00 31.14 H new ATOM 0 HA2 GLY A 48 -5.740 4.890 1.275 1.00 71.23 H new ATOM 0 HA3 GLY A 48 -4.381 4.360 2.246 1.00 71.23 H new ATOM 792 N LEU A 49 -4.322 4.950 -1.010 1.00 53.03 N ATOM 793 CA LEU A 49 -3.510 5.495 -2.086 1.00 13.34 C ATOM 794 C LEU A 49 -3.198 6.963 -1.825 1.00 31.14 C ATOM 795 O LEU A 49 -4.099 7.801 -1.767 1.00 23.24 O ATOM 796 CB LEU A 49 -4.225 5.338 -3.432 1.00 4.40 C ATOM 797 CG LEU A 49 -3.463 5.881 -4.646 1.00 22.13 C ATOM 798 CD1 LEU A 49 -2.145 5.142 -4.828 1.00 5.02 C ATOM 799 CD2 LEU A 49 -4.317 5.774 -5.901 1.00 23.22 C ATOM 0 H LEU A 49 -5.248 4.636 -1.299 1.00 53.03 H new ATOM 0 HA LEU A 49 -2.573 4.939 -2.124 1.00 13.34 H new ATOM 0 HB2 LEU A 49 -4.429 4.280 -3.595 1.00 4.40 H new ATOM 0 HB3 LEU A 49 -5.189 5.843 -3.374 1.00 4.40 H new ATOM 0 HG LEU A 49 -3.241 6.933 -4.470 1.00 22.13 H new ATOM 0 HD11 LEU A 49 -1.620 5.543 -5.695 1.00 5.02 H new ATOM 0 HD12 LEU A 49 -1.529 5.272 -3.938 1.00 5.02 H new ATOM 0 HD13 LEU A 49 -2.341 4.081 -4.981 1.00 5.02 H new ATOM 0 HD21 LEU A 49 -3.761 6.164 -6.754 1.00 23.22 H new ATOM 0 HD22 LEU A 49 -4.571 4.729 -6.080 1.00 23.22 H new ATOM 0 HD23 LEU A 49 -5.232 6.352 -5.769 1.00 23.22 H new ATOM 811 N THR A 50 -1.924 7.257 -1.647 1.00 33.20 N ATOM 812 CA THR A 50 -1.476 8.611 -1.393 1.00 12.04 C ATOM 813 C THR A 50 -0.544 9.067 -2.510 1.00 2.22 C ATOM 814 O THR A 50 0.579 8.574 -2.640 1.00 42.22 O ATOM 815 CB THR A 50 -0.760 8.703 -0.031 1.00 14.20 C ATOM 816 OG1 THR A 50 -1.593 8.133 0.987 1.00 20.32 O ATOM 817 CG2 THR A 50 -0.446 10.148 0.322 1.00 12.03 C ATOM 0 H THR A 50 -1.174 6.566 -1.674 1.00 33.20 H new ATOM 0 HA THR A 50 -2.347 9.265 -1.365 1.00 12.04 H new ATOM 0 HB THR A 50 0.178 8.152 -0.097 1.00 14.20 H new ATOM 0 HG1 THR A 50 -1.137 8.190 1.853 1.00 20.32 H new ATOM 0 HG21 THR A 50 0.059 10.185 1.287 1.00 12.03 H new ATOM 0 HG22 THR A 50 0.201 10.577 -0.443 1.00 12.03 H new ATOM 0 HG23 THR A 50 -1.373 10.719 0.375 1.00 12.03 H new ATOM 825 N VAL A 51 -1.025 9.990 -3.328 1.00 42.31 N ATOM 826 CA VAL A 51 -0.260 10.470 -4.464 1.00 52.13 C ATOM 827 C VAL A 51 0.065 11.955 -4.296 1.00 3.11 C ATOM 828 O VAL A 51 -0.751 12.730 -3.789 1.00 32.41 O ATOM 829 CB VAL A 51 -1.011 10.227 -5.800 1.00 63.21 C ATOM 830 CG1 VAL A 51 -2.306 11.025 -5.861 1.00 55.00 C ATOM 831 CG2 VAL A 51 -0.117 10.538 -6.993 1.00 31.15 C ATOM 0 H VAL A 51 -1.944 10.421 -3.225 1.00 42.31 H new ATOM 0 HA VAL A 51 0.672 9.906 -4.501 1.00 52.13 H new ATOM 0 HB VAL A 51 -1.274 9.170 -5.845 1.00 63.21 H new ATOM 0 HG11 VAL A 51 -2.808 10.832 -6.809 1.00 55.00 H new ATOM 0 HG12 VAL A 51 -2.957 10.726 -5.039 1.00 55.00 H new ATOM 0 HG13 VAL A 51 -2.082 12.089 -5.778 1.00 55.00 H new ATOM 0 HG21 VAL A 51 -0.668 10.359 -7.917 1.00 31.15 H new ATOM 0 HG22 VAL A 51 0.194 11.582 -6.952 1.00 31.15 H new ATOM 0 HG23 VAL A 51 0.763 9.896 -6.965 1.00 31.15 H new ATOM 841 N ALA A 52 1.263 12.339 -4.698 1.00 64.31 N ATOM 842 CA ALA A 52 1.707 13.712 -4.573 1.00 13.44 C ATOM 843 C ALA A 52 1.729 14.396 -5.934 1.00 31.50 C ATOM 844 O ALA A 52 1.602 13.742 -6.972 1.00 32.30 O ATOM 845 CB ALA A 52 3.082 13.751 -3.926 1.00 31.21 C ATOM 0 H ALA A 52 1.950 11.712 -5.117 1.00 64.31 H new ATOM 0 HA ALA A 52 1.006 14.254 -3.939 1.00 13.44 H new ATOM 0 HB1 ALA A 52 3.412 14.786 -3.834 1.00 31.21 H new ATOM 0 HB2 ALA A 52 3.031 13.297 -2.936 1.00 31.21 H new ATOM 0 HB3 ALA A 52 3.790 13.198 -4.543 1.00 31.21 H new ATOM 851 N LYS A 53 1.900 15.711 -5.931 1.00 3.44 N ATOM 852 CA LYS A 53 1.927 16.474 -7.173 1.00 43.51 C ATOM 853 C LYS A 53 3.337 16.498 -7.744 1.00 42.40 C ATOM 854 O LYS A 53 3.580 17.049 -8.817 1.00 35.45 O ATOM 855 CB LYS A 53 1.422 17.911 -6.970 1.00 64.51 C ATOM 856 CG LYS A 53 -0.052 18.017 -6.589 1.00 72.54 C ATOM 857 CD LYS A 53 -0.279 17.796 -5.100 1.00 42.00 C ATOM 858 CE LYS A 53 0.375 18.891 -4.270 1.00 45.34 C ATOM 859 NZ LYS A 53 0.184 18.673 -2.812 1.00 13.20 N ATOM 0 H LYS A 53 2.022 16.270 -5.087 1.00 3.44 H new ATOM 0 HA LYS A 53 1.257 15.980 -7.877 1.00 43.51 H new ATOM 0 HB2 LYS A 53 2.020 18.386 -6.192 1.00 64.51 H new ATOM 0 HB3 LYS A 53 1.588 18.474 -7.889 1.00 64.51 H new ATOM 0 HG2 LYS A 53 -0.428 19.001 -6.870 1.00 72.54 H new ATOM 0 HG3 LYS A 53 -0.625 17.283 -7.155 1.00 72.54 H new ATOM 0 HD2 LYS A 53 -1.349 17.771 -4.893 1.00 42.00 H new ATOM 0 HD3 LYS A 53 0.125 16.826 -4.809 1.00 42.00 H new ATOM 0 HE2 LYS A 53 1.441 18.928 -4.494 1.00 45.34 H new ATOM 0 HE3 LYS A 53 -0.044 19.858 -4.550 1.00 45.34 H new ATOM 0 HZ1 LYS A 53 0.645 19.441 -2.283 1.00 13.20 H new ATOM 0 HZ2 LYS A 53 -0.833 18.663 -2.593 1.00 13.20 H new ATOM 0 HZ3 LYS A 53 0.606 17.763 -2.539 1.00 13.20 H new ATOM 873 N LYS A 54 4.269 15.895 -7.021 1.00 32.11 N ATOM 874 CA LYS A 54 5.653 15.859 -7.463 1.00 53.14 C ATOM 875 C LYS A 54 5.975 14.562 -8.202 1.00 5.25 C ATOM 876 O LYS A 54 6.829 14.549 -9.088 1.00 62.35 O ATOM 877 CB LYS A 54 6.622 16.037 -6.286 1.00 3.23 C ATOM 878 CG LYS A 54 6.445 15.015 -5.169 1.00 43.33 C ATOM 879 CD LYS A 54 7.703 14.897 -4.317 1.00 54.04 C ATOM 880 CE LYS A 54 8.090 16.220 -3.675 1.00 73.22 C ATOM 881 NZ LYS A 54 7.214 16.572 -2.527 1.00 21.01 N ATOM 0 H LYS A 54 4.093 15.427 -6.132 1.00 32.11 H new ATOM 0 HA LYS A 54 5.783 16.692 -8.153 1.00 53.14 H new ATOM 0 HB2 LYS A 54 7.644 15.976 -6.660 1.00 3.23 H new ATOM 0 HB3 LYS A 54 6.493 17.037 -5.872 1.00 3.23 H new ATOM 0 HG2 LYS A 54 5.604 15.304 -4.539 1.00 43.33 H new ATOM 0 HG3 LYS A 54 6.202 14.043 -5.599 1.00 43.33 H new ATOM 0 HD2 LYS A 54 7.544 14.151 -3.539 1.00 54.04 H new ATOM 0 HD3 LYS A 54 8.527 14.541 -4.936 1.00 54.04 H new ATOM 0 HE2 LYS A 54 9.125 16.167 -3.336 1.00 73.22 H new ATOM 0 HE3 LYS A 54 8.040 17.012 -4.423 1.00 73.22 H new ATOM 0 HZ1 LYS A 54 7.518 17.481 -2.124 1.00 21.01 H new ATOM 0 HZ2 LYS A 54 6.229 16.650 -2.853 1.00 21.01 H new ATOM 0 HZ3 LYS A 54 7.280 15.832 -1.800 1.00 21.01 H new ATOM 895 N ASN A 55 5.290 13.477 -7.843 1.00 71.02 N ATOM 896 CA ASN A 55 5.598 12.167 -8.415 1.00 42.43 C ATOM 897 C ASN A 55 4.716 11.873 -9.630 1.00 44.42 C ATOM 898 O ASN A 55 5.088 11.089 -10.505 1.00 71.41 O ATOM 899 CB ASN A 55 5.462 11.064 -7.352 1.00 1.25 C ATOM 900 CG ASN A 55 4.027 10.671 -7.056 1.00 11.42 C ATOM 901 OD1 ASN A 55 3.346 11.317 -6.261 1.00 5.21 O ATOM 902 ND2 ASN A 55 3.572 9.585 -7.662 1.00 5.41 N ATOM 0 H ASN A 55 4.527 13.478 -7.167 1.00 71.02 H new ATOM 0 HA ASN A 55 6.633 12.183 -8.756 1.00 42.43 H new ATOM 0 HB2 ASN A 55 6.009 10.182 -7.685 1.00 1.25 H new ATOM 0 HB3 ASN A 55 5.934 11.402 -6.429 1.00 1.25 H new ATOM 0 HD21 ASN A 55 2.625 9.256 -7.476 1.00 5.41 H new ATOM 0 HD22 ASN A 55 4.169 9.077 -8.315 1.00 5.41 H new ATOM 909 N VAL A 56 3.551 12.503 -9.676 1.00 42.43 N ATOM 910 CA VAL A 56 2.686 12.436 -10.846 1.00 10.13 C ATOM 911 C VAL A 56 2.426 13.845 -11.363 1.00 43.43 C ATOM 912 O VAL A 56 1.709 14.622 -10.738 1.00 72.33 O ATOM 913 CB VAL A 56 1.342 11.738 -10.542 1.00 2.33 C ATOM 914 CG1 VAL A 56 0.420 11.798 -11.751 1.00 61.04 C ATOM 915 CG2 VAL A 56 1.569 10.294 -10.125 1.00 72.13 C ATOM 0 H VAL A 56 3.181 13.069 -8.913 1.00 42.43 H new ATOM 0 HA VAL A 56 3.198 11.841 -11.603 1.00 10.13 H new ATOM 0 HB VAL A 56 0.866 12.266 -9.716 1.00 2.33 H new ATOM 0 HG11 VAL A 56 -0.521 11.301 -11.516 1.00 61.04 H new ATOM 0 HG12 VAL A 56 0.226 12.839 -12.009 1.00 61.04 H new ATOM 0 HG13 VAL A 56 0.894 11.297 -12.595 1.00 61.04 H new ATOM 0 HG21 VAL A 56 0.610 9.821 -9.915 1.00 72.13 H new ATOM 0 HG22 VAL A 56 2.070 9.757 -10.930 1.00 72.13 H new ATOM 0 HG23 VAL A 56 2.190 10.267 -9.230 1.00 72.13 H new ATOM 925 N ARG A 57 3.037 14.174 -12.492 1.00 33.21 N ATOM 926 CA ARG A 57 2.954 15.520 -13.040 1.00 61.32 C ATOM 927 C ARG A 57 1.818 15.651 -14.049 1.00 31.53 C ATOM 928 O ARG A 57 1.249 16.727 -14.212 1.00 24.22 O ATOM 929 CB ARG A 57 4.283 15.901 -13.695 1.00 53.44 C ATOM 930 CG ARG A 57 5.434 16.031 -12.710 1.00 71.41 C ATOM 931 CD ARG A 57 5.236 17.209 -11.767 1.00 11.50 C ATOM 932 NE ARG A 57 6.324 17.314 -10.795 1.00 71.30 N ATOM 933 CZ ARG A 57 6.715 18.458 -10.227 1.00 72.44 C ATOM 934 NH1 ARG A 57 6.131 19.603 -10.545 1.00 61.54 N ATOM 935 NH2 ARG A 57 7.707 18.457 -9.344 1.00 42.42 N ATOM 0 H ARG A 57 3.596 13.526 -13.047 1.00 33.21 H new ATOM 0 HA ARG A 57 2.745 16.202 -12.216 1.00 61.32 H new ATOM 0 HB2 ARG A 57 4.539 15.149 -14.442 1.00 53.44 H new ATOM 0 HB3 ARG A 57 4.160 16.846 -14.223 1.00 53.44 H new ATOM 0 HG2 ARG A 57 5.523 15.112 -12.131 1.00 71.41 H new ATOM 0 HG3 ARG A 57 6.369 16.155 -13.257 1.00 71.41 H new ATOM 0 HD2 ARG A 57 5.174 18.131 -12.345 1.00 11.50 H new ATOM 0 HD3 ARG A 57 4.288 17.098 -11.241 1.00 11.50 H new ATOM 0 HE ARG A 57 6.815 16.459 -10.534 1.00 71.30 H new ATOM 0 HH11 ARG A 57 5.375 19.617 -11.230 1.00 61.54 H new ATOM 0 HH12 ARG A 57 6.437 20.471 -10.105 1.00 61.54 H new ATOM 0 HH21 ARG A 57 8.171 17.582 -9.099 1.00 42.42 H new ATOM 0 HH22 ARG A 57 8.005 19.331 -8.911 1.00 42.42 H new ATOM 949 N ARG A 58 1.491 14.559 -14.731 1.00 22.22 N ATOM 950 CA ARG A 58 0.439 14.586 -15.744 1.00 44.22 C ATOM 951 C ARG A 58 -0.887 14.095 -15.177 1.00 73.34 C ATOM 952 O ARG A 58 -0.944 13.087 -14.470 1.00 45.15 O ATOM 953 CB ARG A 58 0.836 13.765 -16.976 1.00 51.41 C ATOM 954 CG ARG A 58 1.539 14.582 -18.053 1.00 24.45 C ATOM 955 CD ARG A 58 2.853 15.164 -17.561 1.00 1.02 C ATOM 956 NE ARG A 58 3.077 16.512 -18.077 1.00 61.14 N ATOM 957 CZ ARG A 58 4.222 16.937 -18.609 1.00 54.13 C ATOM 958 NH1 ARG A 58 5.262 16.114 -18.729 1.00 74.43 N ATOM 959 NH2 ARG A 58 4.320 18.193 -19.025 1.00 73.14 N ATOM 0 H ARG A 58 1.935 13.649 -14.603 1.00 22.22 H new ATOM 0 HA ARG A 58 0.310 15.623 -16.054 1.00 44.22 H new ATOM 0 HB2 ARG A 58 1.490 12.951 -16.664 1.00 51.41 H new ATOM 0 HB3 ARG A 58 -0.058 13.310 -17.402 1.00 51.41 H new ATOM 0 HG2 ARG A 58 1.725 13.951 -18.922 1.00 24.45 H new ATOM 0 HG3 ARG A 58 0.885 15.390 -18.380 1.00 24.45 H new ATOM 0 HD2 ARG A 58 2.855 15.187 -16.471 1.00 1.02 H new ATOM 0 HD3 ARG A 58 3.675 14.516 -17.867 1.00 1.02 H new ATOM 0 HE ARG A 58 2.303 17.174 -18.026 1.00 61.14 H new ATOM 0 HH11 ARG A 58 5.187 15.147 -18.412 1.00 74.43 H new ATOM 0 HH12 ARG A 58 6.134 16.450 -19.138 1.00 74.43 H new ATOM 0 HH21 ARG A 58 3.523 18.823 -18.936 1.00 73.14 H new ATOM 0 HH22 ARG A 58 5.192 18.528 -19.434 1.00 73.14 H new ATOM 973 N ALA A 59 -1.953 14.812 -15.514 1.00 74.01 N ATOM 974 CA ALA A 59 -3.274 14.572 -14.944 1.00 14.41 C ATOM 975 C ALA A 59 -3.839 13.212 -15.351 1.00 63.50 C ATOM 976 O ALA A 59 -4.345 12.466 -14.511 1.00 55.32 O ATOM 977 CB ALA A 59 -4.229 15.681 -15.359 1.00 72.34 C ATOM 0 H ALA A 59 -1.926 15.576 -16.190 1.00 74.01 H new ATOM 0 HA ALA A 59 -3.167 14.568 -13.859 1.00 14.41 H new ATOM 0 HB1 ALA A 59 -5.213 15.494 -14.929 1.00 72.34 H new ATOM 0 HB2 ALA A 59 -3.852 16.639 -15.000 1.00 72.34 H new ATOM 0 HB3 ALA A 59 -4.307 15.706 -16.446 1.00 72.34 H new ATOM 983 N HIS A 60 -3.745 12.888 -16.635 1.00 34.30 N ATOM 984 CA HIS A 60 -4.325 11.648 -17.147 1.00 30.04 C ATOM 985 C HIS A 60 -3.547 10.436 -16.663 1.00 1.22 C ATOM 986 O HIS A 60 -4.069 9.321 -16.632 1.00 51.45 O ATOM 987 CB HIS A 60 -4.386 11.650 -18.676 1.00 13.23 C ATOM 988 CG HIS A 60 -5.394 12.602 -19.240 1.00 41.41 C ATOM 989 ND1 HIS A 60 -6.743 12.526 -18.962 1.00 33.11 N ATOM 990 CD2 HIS A 60 -5.243 13.653 -20.078 1.00 53.01 C ATOM 991 CE1 HIS A 60 -7.377 13.487 -19.607 1.00 44.55 C ATOM 992 NE2 HIS A 60 -6.489 14.188 -20.290 1.00 20.13 N ATOM 0 H HIS A 60 -3.277 13.460 -17.338 1.00 34.30 H new ATOM 0 HA HIS A 60 -5.342 11.587 -16.760 1.00 30.04 H new ATOM 0 HB2 HIS A 60 -3.401 11.903 -19.069 1.00 13.23 H new ATOM 0 HB3 HIS A 60 -4.618 10.643 -19.022 1.00 13.23 H new ATOM 0 HD1 HIS A 60 -7.182 11.835 -18.353 1.00 33.11 H new ATOM 0 HD2 HIS A 60 -4.314 14.006 -20.502 1.00 53.01 H new ATOM 0 HE1 HIS A 60 -8.441 13.670 -19.581 1.00 44.55 H new ATOM 1001 N GLU A 61 -2.304 10.654 -16.272 1.00 3.30 N ATOM 1002 CA GLU A 61 -1.496 9.574 -15.741 1.00 34.24 C ATOM 1003 C GLU A 61 -1.978 9.206 -14.347 1.00 33.33 C ATOM 1004 O GLU A 61 -1.951 8.041 -13.957 1.00 14.15 O ATOM 1005 CB GLU A 61 -0.024 9.960 -15.710 1.00 15.23 C ATOM 1006 CG GLU A 61 0.519 10.360 -17.069 1.00 74.24 C ATOM 1007 CD GLU A 61 0.146 9.382 -18.164 1.00 45.13 C ATOM 1008 OE1 GLU A 61 0.292 8.160 -17.958 1.00 40.55 O ATOM 1009 OE2 GLU A 61 -0.312 9.835 -19.235 1.00 74.40 O ATOM 0 H GLU A 61 -1.837 11.560 -16.312 1.00 3.30 H new ATOM 0 HA GLU A 61 -1.602 8.708 -16.395 1.00 34.24 H new ATOM 0 HB2 GLU A 61 0.113 10.787 -15.014 1.00 15.23 H new ATOM 0 HB3 GLU A 61 0.557 9.121 -15.327 1.00 15.23 H new ATOM 0 HG2 GLU A 61 0.142 11.349 -17.328 1.00 74.24 H new ATOM 0 HG3 GLU A 61 1.605 10.437 -17.012 1.00 74.24 H new ATOM 1016 N ARG A 62 -2.448 10.210 -13.611 1.00 71.50 N ATOM 1017 CA ARG A 62 -3.012 9.988 -12.286 1.00 53.14 C ATOM 1018 C ARG A 62 -4.305 9.187 -12.404 1.00 72.35 C ATOM 1019 O ARG A 62 -4.674 8.438 -11.498 1.00 13.41 O ATOM 1020 CB ARG A 62 -3.263 11.325 -11.577 1.00 71.31 C ATOM 1021 CG ARG A 62 -3.714 11.179 -10.130 1.00 24.41 C ATOM 1022 CD ARG A 62 -3.728 12.517 -9.407 1.00 50.11 C ATOM 1023 NE ARG A 62 -4.666 13.467 -10.010 1.00 2.50 N ATOM 1024 CZ ARG A 62 -4.895 14.695 -9.536 1.00 35.40 C ATOM 1025 NH1 ARG A 62 -4.270 15.120 -8.446 1.00 74.11 N ATOM 1026 NH2 ARG A 62 -5.747 15.505 -10.152 1.00 44.12 N ATOM 0 H ARG A 62 -2.449 11.185 -13.911 1.00 71.50 H new ATOM 0 HA ARG A 62 -2.300 9.419 -11.688 1.00 53.14 H new ATOM 0 HB2 ARG A 62 -2.348 11.917 -11.605 1.00 71.31 H new ATOM 0 HB3 ARG A 62 -4.020 11.882 -12.129 1.00 71.31 H new ATOM 0 HG2 ARG A 62 -4.711 10.740 -10.102 1.00 24.41 H new ATOM 0 HG3 ARG A 62 -3.048 10.491 -9.609 1.00 24.41 H new ATOM 0 HD2 ARG A 62 -3.996 12.360 -8.362 1.00 50.11 H new ATOM 0 HD3 ARG A 62 -2.725 12.944 -9.418 1.00 50.11 H new ATOM 0 HE ARG A 62 -5.176 13.173 -10.843 1.00 2.50 H new ATOM 0 HH11 ARG A 62 -3.611 14.508 -7.965 1.00 74.11 H new ATOM 0 HH12 ARG A 62 -4.449 16.059 -8.089 1.00 74.11 H new ATOM 0 HH21 ARG A 62 -6.232 15.191 -10.993 1.00 44.12 H new ATOM 0 HH22 ARG A 62 -5.917 16.441 -9.785 1.00 44.12 H new ATOM 1040 N ASN A 63 -4.985 9.345 -13.541 1.00 14.23 N ATOM 1041 CA ASN A 63 -6.155 8.531 -13.858 1.00 3.03 C ATOM 1042 C ASN A 63 -5.745 7.068 -13.943 1.00 31.21 C ATOM 1043 O ASN A 63 -6.355 6.200 -13.322 1.00 32.30 O ATOM 1044 CB ASN A 63 -6.782 8.950 -15.198 1.00 30.22 C ATOM 1045 CG ASN A 63 -7.403 10.339 -15.189 1.00 14.33 C ATOM 1046 OD1 ASN A 63 -7.362 11.049 -16.197 1.00 4.10 O ATOM 1047 ND2 ASN A 63 -7.997 10.729 -14.073 1.00 65.42 N ATOM 0 H ASN A 63 -4.744 10.030 -14.257 1.00 14.23 H new ATOM 0 HA ASN A 63 -6.892 8.677 -13.068 1.00 3.03 H new ATOM 0 HB2 ASN A 63 -6.016 8.912 -15.972 1.00 30.22 H new ATOM 0 HB3 ASN A 63 -7.548 8.224 -15.471 1.00 30.22 H new ATOM 0 HD21 ASN A 63 -8.442 11.646 -14.026 1.00 65.42 H new ATOM 0 HD22 ASN A 63 -8.010 10.113 -13.260 1.00 65.42 H new ATOM 1054 N ARG A 64 -4.681 6.816 -14.705 1.00 21.44 N ATOM 1055 CA ARG A 64 -4.179 5.462 -14.922 1.00 54.11 C ATOM 1056 C ARG A 64 -3.688 4.838 -13.616 1.00 72.15 C ATOM 1057 O ARG A 64 -3.936 3.660 -13.355 1.00 0.01 O ATOM 1058 CB ARG A 64 -3.059 5.475 -15.974 1.00 62.22 C ATOM 1059 CG ARG A 64 -2.408 4.118 -16.201 1.00 11.11 C ATOM 1060 CD ARG A 64 -1.568 4.093 -17.470 1.00 21.11 C ATOM 1061 NE ARG A 64 -0.521 5.119 -17.479 1.00 45.53 N ATOM 1062 CZ ARG A 64 0.753 4.876 -17.785 1.00 71.15 C ATOM 1063 NH1 ARG A 64 1.153 3.634 -18.037 1.00 70.40 N ATOM 1064 NH2 ARG A 64 1.623 5.878 -17.847 1.00 21.32 N ATOM 0 H ARG A 64 -4.147 7.540 -15.186 1.00 21.44 H new ATOM 0 HA ARG A 64 -5.000 4.849 -15.292 1.00 54.11 H new ATOM 0 HB2 ARG A 64 -3.466 5.834 -16.919 1.00 62.22 H new ATOM 0 HB3 ARG A 64 -2.293 6.187 -15.666 1.00 62.22 H new ATOM 0 HG2 ARG A 64 -1.780 3.870 -15.346 1.00 11.11 H new ATOM 0 HG3 ARG A 64 -3.180 3.351 -16.262 1.00 11.11 H new ATOM 0 HD2 ARG A 64 -1.108 3.110 -17.577 1.00 21.11 H new ATOM 0 HD3 ARG A 64 -2.218 4.236 -18.333 1.00 21.11 H new ATOM 0 HE ARG A 64 -0.783 6.075 -17.237 1.00 45.53 H new ATOM 0 HH11 ARG A 64 0.484 2.865 -17.996 1.00 70.40 H new ATOM 0 HH12 ARG A 64 2.129 3.450 -18.271 1.00 70.40 H new ATOM 0 HH21 ARG A 64 1.316 6.833 -17.660 1.00 21.32 H new ATOM 0 HH22 ARG A 64 2.598 5.693 -18.081 1.00 21.32 H new ATOM 1078 N ILE A 65 -3.011 5.631 -12.795 1.00 71.33 N ATOM 1079 CA ILE A 65 -2.499 5.147 -11.513 1.00 32.25 C ATOM 1080 C ILE A 65 -3.636 4.667 -10.611 1.00 43.24 C ATOM 1081 O ILE A 65 -3.543 3.608 -9.988 1.00 22.41 O ATOM 1082 CB ILE A 65 -1.679 6.235 -10.778 1.00 14.43 C ATOM 1083 CG1 ILE A 65 -0.483 6.674 -11.632 1.00 71.14 C ATOM 1084 CG2 ILE A 65 -1.205 5.737 -9.417 1.00 1.31 C ATOM 1085 CD1 ILE A 65 0.435 5.538 -12.038 1.00 62.22 C ATOM 0 H ILE A 65 -2.803 6.610 -12.991 1.00 71.33 H new ATOM 0 HA ILE A 65 -1.840 4.307 -11.733 1.00 32.25 H new ATOM 0 HB ILE A 65 -2.328 7.095 -10.617 1.00 14.43 H new ATOM 0 HG12 ILE A 65 -0.853 7.167 -12.531 1.00 71.14 H new ATOM 0 HG13 ILE A 65 0.094 7.414 -11.077 1.00 71.14 H new ATOM 0 HG21 ILE A 65 -0.632 6.521 -8.922 1.00 1.31 H new ATOM 0 HG22 ILE A 65 -2.068 5.477 -8.804 1.00 1.31 H new ATOM 0 HG23 ILE A 65 -0.576 4.857 -9.550 1.00 1.31 H new ATOM 0 HD11 ILE A 65 1.255 5.930 -12.639 1.00 62.22 H new ATOM 0 HD12 ILE A 65 0.836 5.058 -11.146 1.00 62.22 H new ATOM 0 HD13 ILE A 65 -0.126 4.808 -12.622 1.00 62.22 H new ATOM 1097 N LYS A 66 -4.720 5.432 -10.565 1.00 32.12 N ATOM 1098 CA LYS A 66 -5.857 5.086 -9.718 1.00 11.14 C ATOM 1099 C LYS A 66 -6.651 3.919 -10.300 1.00 1.31 C ATOM 1100 O LYS A 66 -7.416 3.265 -9.594 1.00 24.30 O ATOM 1101 CB LYS A 66 -6.769 6.296 -9.509 1.00 4.54 C ATOM 1102 CG LYS A 66 -6.133 7.386 -8.660 1.00 3.44 C ATOM 1103 CD LYS A 66 -7.081 8.550 -8.421 1.00 61.50 C ATOM 1104 CE LYS A 66 -8.332 8.118 -7.670 1.00 3.40 C ATOM 1105 NZ LYS A 66 -9.206 9.274 -7.349 1.00 2.35 N ATOM 0 H LYS A 66 -4.837 6.292 -11.101 1.00 32.12 H new ATOM 0 HA LYS A 66 -5.462 4.777 -8.751 1.00 11.14 H new ATOM 0 HB2 LYS A 66 -7.039 6.712 -10.480 1.00 4.54 H new ATOM 0 HB3 LYS A 66 -7.694 5.968 -9.035 1.00 4.54 H new ATOM 0 HG2 LYS A 66 -5.826 6.966 -7.702 1.00 3.44 H new ATOM 0 HG3 LYS A 66 -5.231 7.749 -9.153 1.00 3.44 H new ATOM 0 HD2 LYS A 66 -6.567 9.326 -7.854 1.00 61.50 H new ATOM 0 HD3 LYS A 66 -7.365 8.989 -9.377 1.00 61.50 H new ATOM 0 HE2 LYS A 66 -8.887 7.398 -8.271 1.00 3.40 H new ATOM 0 HE3 LYS A 66 -8.046 7.611 -6.748 1.00 3.40 H new ATOM 0 HZ1 LYS A 66 -10.048 8.941 -6.838 1.00 2.35 H new ATOM 0 HZ2 LYS A 66 -8.684 9.949 -6.754 1.00 2.35 H new ATOM 0 HZ3 LYS A 66 -9.499 9.743 -8.230 1.00 2.35 H new ATOM 1119 N ARG A 67 -6.468 3.660 -11.584 1.00 54.52 N ATOM 1120 CA ARG A 67 -7.130 2.536 -12.229 1.00 35.31 C ATOM 1121 C ARG A 67 -6.380 1.240 -11.954 1.00 21.22 C ATOM 1122 O ARG A 67 -6.988 0.188 -11.782 1.00 34.31 O ATOM 1123 CB ARG A 67 -7.244 2.762 -13.735 1.00 71.23 C ATOM 1124 CG ARG A 67 -8.248 3.836 -14.121 1.00 70.21 C ATOM 1125 CD ARG A 67 -8.375 3.961 -15.630 1.00 41.53 C ATOM 1126 NE ARG A 67 -8.695 2.679 -16.254 1.00 12.34 N ATOM 1127 CZ ARG A 67 -9.842 2.409 -16.871 1.00 1.13 C ATOM 1128 NH1 ARG A 67 -10.793 3.329 -16.968 1.00 44.22 N ATOM 1129 NH2 ARG A 67 -10.035 1.206 -17.391 1.00 70.43 N ATOM 0 H ARG A 67 -5.869 4.210 -12.199 1.00 54.52 H new ATOM 0 HA ARG A 67 -8.134 2.457 -11.812 1.00 35.31 H new ATOM 0 HB2 ARG A 67 -6.264 3.036 -14.127 1.00 71.23 H new ATOM 0 HB3 ARG A 67 -7.528 1.824 -14.213 1.00 71.23 H new ATOM 0 HG2 ARG A 67 -9.221 3.598 -13.691 1.00 70.21 H new ATOM 0 HG3 ARG A 67 -7.939 4.793 -13.700 1.00 70.21 H new ATOM 0 HD2 ARG A 67 -9.152 4.687 -15.871 1.00 41.53 H new ATOM 0 HD3 ARG A 67 -7.442 4.344 -16.043 1.00 41.53 H new ATOM 0 HE ARG A 67 -7.991 1.942 -16.214 1.00 12.34 H new ATOM 0 HH11 ARG A 67 -10.649 4.256 -16.567 1.00 44.22 H new ATOM 0 HH12 ARG A 67 -11.668 3.110 -17.444 1.00 44.22 H new ATOM 0 HH21 ARG A 67 -9.307 0.495 -17.316 1.00 70.43 H new ATOM 0 HH22 ARG A 67 -10.912 0.990 -17.866 1.00 70.43 H new ATOM 1143 N LEU A 68 -5.056 1.327 -11.906 1.00 12.53 N ATOM 1144 CA LEU A 68 -4.219 0.160 -11.658 1.00 10.31 C ATOM 1145 C LEU A 68 -4.323 -0.263 -10.193 1.00 33.43 C ATOM 1146 O LEU A 68 -4.467 -1.450 -9.882 1.00 34.13 O ATOM 1147 CB LEU A 68 -2.761 0.486 -12.038 1.00 3.23 C ATOM 1148 CG LEU A 68 -1.785 -0.701 -12.134 1.00 2.50 C ATOM 1149 CD1 LEU A 68 -1.337 -1.171 -10.756 1.00 12.11 C ATOM 1150 CD2 LEU A 68 -2.415 -1.853 -12.905 1.00 52.40 C ATOM 0 H LEU A 68 -4.538 2.196 -12.036 1.00 12.53 H new ATOM 0 HA LEU A 68 -4.563 -0.673 -12.272 1.00 10.31 H new ATOM 0 HB2 LEU A 68 -2.767 0.999 -13.000 1.00 3.23 H new ATOM 0 HB3 LEU A 68 -2.368 1.190 -11.304 1.00 3.23 H new ATOM 0 HG LEU A 68 -0.903 -0.357 -12.673 1.00 2.50 H new ATOM 0 HD11 LEU A 68 -0.649 -2.010 -10.863 1.00 12.11 H new ATOM 0 HD12 LEU A 68 -0.835 -0.354 -10.238 1.00 12.11 H new ATOM 0 HD13 LEU A 68 -2.206 -1.486 -10.179 1.00 12.11 H new ATOM 0 HD21 LEU A 68 -1.709 -2.682 -12.962 1.00 52.40 H new ATOM 0 HD22 LEU A 68 -3.320 -2.181 -12.394 1.00 52.40 H new ATOM 0 HD23 LEU A 68 -2.667 -1.522 -13.912 1.00 52.40 H new ATOM 1162 N THR A 69 -4.268 0.718 -9.302 1.00 25.04 N ATOM 1163 CA THR A 69 -4.315 0.463 -7.869 1.00 52.44 C ATOM 1164 C THR A 69 -5.660 -0.122 -7.448 1.00 10.32 C ATOM 1165 O THR A 69 -5.719 -1.149 -6.773 1.00 71.23 O ATOM 1166 CB THR A 69 -4.038 1.755 -7.082 1.00 75.24 C ATOM 1167 OG1 THR A 69 -4.789 2.840 -7.642 1.00 70.12 O ATOM 1168 CG2 THR A 69 -2.557 2.090 -7.104 1.00 34.31 C ATOM 0 H THR A 69 -4.190 1.705 -9.549 1.00 25.04 H new ATOM 0 HA THR A 69 -3.540 -0.269 -7.641 1.00 52.44 H new ATOM 0 HB THR A 69 -4.344 1.600 -6.047 1.00 75.24 H new ATOM 0 HG1 THR A 69 -4.293 3.227 -8.394 1.00 70.12 H new ATOM 0 HG21 THR A 69 -2.383 3.007 -6.542 1.00 34.31 H new ATOM 0 HG22 THR A 69 -1.993 1.274 -6.652 1.00 34.31 H new ATOM 0 HG23 THR A 69 -2.231 2.229 -8.135 1.00 34.31 H new ATOM 1176 N ARG A 70 -6.742 0.514 -7.878 1.00 32.20 N ATOM 1177 CA ARG A 70 -8.079 0.068 -7.511 1.00 64.44 C ATOM 1178 C ARG A 70 -8.529 -1.098 -8.401 1.00 33.22 C ATOM 1179 O ARG A 70 -9.695 -1.493 -8.398 1.00 1.23 O ATOM 1180 CB ARG A 70 -9.063 1.242 -7.583 1.00 42.25 C ATOM 1181 CG ARG A 70 -10.428 0.944 -6.980 1.00 33.11 C ATOM 1182 CD ARG A 70 -11.255 2.207 -6.810 1.00 41.23 C ATOM 1183 NE ARG A 70 -11.445 2.924 -8.074 1.00 71.33 N ATOM 1184 CZ ARG A 70 -12.327 3.911 -8.237 1.00 11.53 C ATOM 1185 NH1 ARG A 70 -13.120 4.261 -7.232 1.00 23.12 N ATOM 1186 NH2 ARG A 70 -12.425 4.539 -9.405 1.00 65.50 N ATOM 0 H ARG A 70 -6.720 1.338 -8.479 1.00 32.20 H new ATOM 0 HA ARG A 70 -8.059 -0.296 -6.484 1.00 64.44 H new ATOM 0 HB2 ARG A 70 -8.629 2.099 -7.068 1.00 42.25 H new ATOM 0 HB3 ARG A 70 -9.193 1.530 -8.626 1.00 42.25 H new ATOM 0 HG2 ARG A 70 -10.963 0.242 -7.620 1.00 33.11 H new ATOM 0 HG3 ARG A 70 -10.300 0.460 -6.012 1.00 33.11 H new ATOM 0 HD2 ARG A 70 -12.228 1.948 -6.393 1.00 41.23 H new ATOM 0 HD3 ARG A 70 -10.765 2.865 -6.092 1.00 41.23 H new ATOM 0 HE ARG A 70 -10.871 2.653 -8.873 1.00 71.33 H new ATOM 0 HH11 ARG A 70 -13.054 3.775 -6.337 1.00 23.12 H new ATOM 0 HH12 ARG A 70 -13.795 5.016 -7.354 1.00 23.12 H new ATOM 0 HH21 ARG A 70 -11.824 4.267 -10.183 1.00 65.50 H new ATOM 0 HH22 ARG A 70 -13.102 5.293 -9.523 1.00 65.50 H new ATOM 1200 N GLU A 71 -7.594 -1.652 -9.158 1.00 11.42 N ATOM 1201 CA GLU A 71 -7.847 -2.870 -9.907 1.00 21.11 C ATOM 1202 C GLU A 71 -7.277 -4.053 -9.142 1.00 51.50 C ATOM 1203 O GLU A 71 -7.974 -5.030 -8.859 1.00 14.12 O ATOM 1204 CB GLU A 71 -7.214 -2.795 -11.297 1.00 12.32 C ATOM 1205 CG GLU A 71 -7.455 -4.031 -12.142 1.00 73.12 C ATOM 1206 CD GLU A 71 -6.773 -3.950 -13.489 1.00 3.42 C ATOM 1207 OE1 GLU A 71 -7.345 -3.329 -14.411 1.00 21.34 O ATOM 1208 OE2 GLU A 71 -5.667 -4.506 -13.637 1.00 3.21 O ATOM 0 H GLU A 71 -6.652 -1.276 -9.269 1.00 11.42 H new ATOM 0 HA GLU A 71 -8.923 -2.992 -10.030 1.00 21.11 H new ATOM 0 HB2 GLU A 71 -7.609 -1.925 -11.821 1.00 12.32 H new ATOM 0 HB3 GLU A 71 -6.140 -2.642 -11.190 1.00 12.32 H new ATOM 0 HG2 GLU A 71 -7.094 -4.910 -11.607 1.00 73.12 H new ATOM 0 HG3 GLU A 71 -8.527 -4.165 -12.288 1.00 73.12 H new ATOM 1215 N SER A 72 -6.007 -3.940 -8.779 1.00 70.41 N ATOM 1216 CA SER A 72 -5.318 -4.991 -8.055 1.00 55.40 C ATOM 1217 C SER A 72 -5.884 -5.147 -6.644 1.00 50.13 C ATOM 1218 O SER A 72 -6.183 -6.257 -6.207 1.00 45.25 O ATOM 1219 CB SER A 72 -3.819 -4.690 -8.018 1.00 11.53 C ATOM 1220 OG SER A 72 -3.586 -3.320 -7.726 1.00 12.14 O ATOM 0 H SER A 72 -5.431 -3.122 -8.978 1.00 70.41 H new ATOM 0 HA SER A 72 -5.474 -5.937 -8.573 1.00 55.40 H new ATOM 0 HB2 SER A 72 -3.337 -5.314 -7.265 1.00 11.53 H new ATOM 0 HB3 SER A 72 -3.369 -4.943 -8.978 1.00 11.53 H new ATOM 0 HG SER A 72 -3.698 -3.167 -6.765 1.00 12.14 H new ATOM 1226 N PHE A 73 -6.075 -4.027 -5.953 1.00 71.25 N ATOM 1227 CA PHE A 73 -6.587 -4.048 -4.584 1.00 51.34 C ATOM 1228 C PHE A 73 -8.103 -4.235 -4.551 1.00 71.42 C ATOM 1229 O PHE A 73 -8.720 -4.176 -3.489 1.00 2.55 O ATOM 1230 CB PHE A 73 -6.197 -2.764 -3.847 1.00 53.03 C ATOM 1231 CG PHE A 73 -4.736 -2.687 -3.506 1.00 65.13 C ATOM 1232 CD1 PHE A 73 -4.267 -3.207 -2.312 1.00 23.31 C ATOM 1233 CD2 PHE A 73 -3.833 -2.098 -4.377 1.00 2.23 C ATOM 1234 CE1 PHE A 73 -2.924 -3.142 -1.991 1.00 54.13 C ATOM 1235 CE2 PHE A 73 -2.491 -2.030 -4.062 1.00 14.12 C ATOM 1236 CZ PHE A 73 -2.036 -2.553 -2.867 1.00 72.34 C ATOM 0 H PHE A 73 -5.884 -3.094 -6.317 1.00 71.25 H new ATOM 0 HA PHE A 73 -6.135 -4.901 -4.078 1.00 51.34 H new ATOM 0 HB2 PHE A 73 -6.463 -1.906 -4.464 1.00 53.03 H new ATOM 0 HB3 PHE A 73 -6.780 -2.690 -2.929 1.00 53.03 H new ATOM 0 HD1 PHE A 73 -4.959 -3.669 -1.623 1.00 23.31 H new ATOM 0 HD2 PHE A 73 -4.183 -1.688 -5.313 1.00 2.23 H new ATOM 0 HE1 PHE A 73 -2.571 -3.552 -1.056 1.00 54.13 H new ATOM 0 HE2 PHE A 73 -1.797 -1.568 -4.749 1.00 14.12 H new ATOM 0 HZ PHE A 73 -0.986 -2.501 -2.619 1.00 72.34 H new ATOM 1246 N ARG A 74 -8.703 -4.454 -5.714 1.00 3.14 N ATOM 1247 CA ARG A 74 -10.133 -4.731 -5.787 1.00 43.32 C ATOM 1248 C ARG A 74 -10.373 -6.185 -6.175 1.00 11.14 C ATOM 1249 O ARG A 74 -11.122 -6.894 -5.508 1.00 44.14 O ATOM 1250 CB ARG A 74 -10.825 -3.803 -6.789 1.00 12.23 C ATOM 1251 CG ARG A 74 -12.317 -4.068 -6.937 1.00 14.22 C ATOM 1252 CD ARG A 74 -12.931 -3.193 -8.019 1.00 64.43 C ATOM 1253 NE ARG A 74 -14.334 -3.528 -8.273 1.00 75.25 N ATOM 1254 CZ ARG A 74 -14.876 -3.584 -9.492 1.00 44.31 C ATOM 1255 NH1 ARG A 74 -14.133 -3.333 -10.564 1.00 42.14 N ATOM 1256 NH2 ARG A 74 -16.161 -3.882 -9.639 1.00 63.31 N ATOM 0 H ARG A 74 -8.226 -4.446 -6.615 1.00 3.14 H new ATOM 0 HA ARG A 74 -10.559 -4.549 -4.800 1.00 43.32 H new ATOM 0 HB2 ARG A 74 -10.678 -2.769 -6.476 1.00 12.23 H new ATOM 0 HB3 ARG A 74 -10.347 -3.912 -7.762 1.00 12.23 H new ATOM 0 HG2 ARG A 74 -12.479 -5.118 -7.180 1.00 14.22 H new ATOM 0 HG3 ARG A 74 -12.818 -3.880 -5.987 1.00 14.22 H new ATOM 0 HD2 ARG A 74 -12.857 -2.147 -7.723 1.00 64.43 H new ATOM 0 HD3 ARG A 74 -12.360 -3.304 -8.941 1.00 64.43 H new ATOM 0 HE ARG A 74 -14.932 -3.730 -7.472 1.00 75.25 H new ATOM 0 HH11 ARG A 74 -13.146 -3.097 -10.457 1.00 42.14 H new ATOM 0 HH12 ARG A 74 -14.549 -3.376 -11.494 1.00 42.14 H new ATOM 0 HH21 ARG A 74 -16.738 -4.069 -8.819 1.00 63.31 H new ATOM 0 HH22 ARG A 74 -16.571 -3.924 -10.572 1.00 63.31 H new ATOM 1270 N LEU A 75 -9.729 -6.623 -7.253 1.00 3.30 N ATOM 1271 CA LEU A 75 -9.897 -7.989 -7.741 1.00 33.14 C ATOM 1272 C LEU A 75 -9.276 -8.995 -6.777 1.00 41.13 C ATOM 1273 O LEU A 75 -9.697 -10.147 -6.707 1.00 60.45 O ATOM 1274 CB LEU A 75 -9.278 -8.145 -9.136 1.00 64.40 C ATOM 1275 CG LEU A 75 -9.881 -7.253 -10.226 1.00 3.21 C ATOM 1276 CD1 LEU A 75 -9.167 -7.479 -11.550 1.00 62.45 C ATOM 1277 CD2 LEU A 75 -11.371 -7.524 -10.371 1.00 40.22 C ATOM 0 H LEU A 75 -9.087 -6.054 -7.805 1.00 3.30 H new ATOM 0 HA LEU A 75 -10.966 -8.190 -7.807 1.00 33.14 H new ATOM 0 HB2 LEU A 75 -8.211 -7.934 -9.067 1.00 64.40 H new ATOM 0 HB3 LEU A 75 -9.378 -9.185 -9.445 1.00 64.40 H new ATOM 0 HG LEU A 75 -9.748 -6.211 -9.935 1.00 3.21 H new ATOM 0 HD11 LEU A 75 -9.607 -6.838 -12.314 1.00 62.45 H new ATOM 0 HD12 LEU A 75 -8.110 -7.238 -11.439 1.00 62.45 H new ATOM 0 HD13 LEU A 75 -9.272 -8.523 -11.847 1.00 62.45 H new ATOM 0 HD21 LEU A 75 -11.784 -6.882 -11.149 1.00 40.22 H new ATOM 0 HD22 LEU A 75 -11.526 -8.568 -10.642 1.00 40.22 H new ATOM 0 HD23 LEU A 75 -11.872 -7.316 -9.426 1.00 40.22 H new ATOM 1289 N ARG A 76 -8.276 -8.551 -6.029 1.00 32.12 N ATOM 1290 CA ARG A 76 -7.619 -9.398 -5.043 1.00 41.33 C ATOM 1291 C ARG A 76 -8.103 -9.027 -3.644 1.00 65.21 C ATOM 1292 O ARG A 76 -7.314 -8.888 -2.707 1.00 53.15 O ATOM 1293 CB ARG A 76 -6.092 -9.262 -5.136 1.00 43.33 C ATOM 1294 CG ARG A 76 -5.473 -9.876 -6.388 1.00 61.23 C ATOM 1295 CD ARG A 76 -5.766 -9.064 -7.646 1.00 32.40 C ATOM 1296 NE ARG A 76 -5.136 -9.643 -8.833 1.00 11.43 N ATOM 1297 CZ ARG A 76 -5.162 -9.089 -10.046 1.00 63.20 C ATOM 1298 NH1 ARG A 76 -5.787 -7.934 -10.243 1.00 55.41 N ATOM 1299 NH2 ARG A 76 -4.559 -9.690 -11.064 1.00 40.40 N ATOM 0 H ARG A 76 -7.900 -7.604 -6.087 1.00 32.12 H new ATOM 0 HA ARG A 76 -7.876 -10.437 -5.247 1.00 41.33 H new ATOM 0 HB2 ARG A 76 -5.832 -8.204 -5.100 1.00 43.33 H new ATOM 0 HB3 ARG A 76 -5.645 -9.730 -4.259 1.00 43.33 H new ATOM 0 HG2 ARG A 76 -4.394 -9.955 -6.254 1.00 61.23 H new ATOM 0 HG3 ARG A 76 -5.853 -10.889 -6.517 1.00 61.23 H new ATOM 0 HD2 ARG A 76 -6.844 -9.009 -7.799 1.00 32.40 H new ATOM 0 HD3 ARG A 76 -5.411 -8.043 -7.509 1.00 32.40 H new ATOM 0 HE ARG A 76 -4.644 -10.530 -8.726 1.00 11.43 H new ATOM 0 HH11 ARG A 76 -6.251 -7.466 -9.464 1.00 55.41 H new ATOM 0 HH12 ARG A 76 -5.803 -7.515 -11.173 1.00 55.41 H new ATOM 0 HH21 ARG A 76 -4.075 -10.576 -10.919 1.00 40.40 H new ATOM 0 HH22 ARG A 76 -4.579 -9.266 -11.991 1.00 40.40 H new ATOM 1313 N GLN A 77 -9.418 -8.890 -3.517 1.00 2.14 N ATOM 1314 CA GLN A 77 -10.044 -8.449 -2.273 1.00 11.33 C ATOM 1315 C GLN A 77 -9.967 -9.532 -1.196 1.00 62.41 C ATOM 1316 O GLN A 77 -10.122 -9.256 -0.007 1.00 33.22 O ATOM 1317 CB GLN A 77 -11.509 -8.069 -2.533 1.00 4.21 C ATOM 1318 CG GLN A 77 -12.169 -7.308 -1.388 1.00 32.40 C ATOM 1319 CD GLN A 77 -11.480 -5.988 -1.092 1.00 62.21 C ATOM 1320 OE1 GLN A 77 -10.900 -5.379 -2.116 1.00 41.00 O flip ATOM 1321 NE2 GLN A 77 -11.477 -5.516 0.042 1.00 23.03 N flip ATOM 0 H GLN A 77 -10.079 -9.080 -4.270 1.00 2.14 H new ATOM 0 HA GLN A 77 -9.500 -7.576 -1.911 1.00 11.33 H new ATOM 0 HB2 GLN A 77 -11.560 -7.461 -3.436 1.00 4.21 H new ATOM 0 HB3 GLN A 77 -12.079 -8.977 -2.728 1.00 4.21 H new ATOM 0 HG2 GLN A 77 -13.214 -7.121 -1.635 1.00 32.40 H new ATOM 0 HG3 GLN A 77 -12.160 -7.928 -0.491 1.00 32.40 H new ATOM 0 HE21 GLN A 77 -11.935 -6.016 0.804 1.00 23.03 H new ATOM 0 HE22 GLN A 77 -11.016 -4.624 0.222 1.00 23.03 H new ATOM 1330 N HIS A 78 -9.718 -10.764 -1.611 1.00 31.22 N ATOM 1331 CA HIS A 78 -9.635 -11.872 -0.671 1.00 61.34 C ATOM 1332 C HIS A 78 -8.185 -12.197 -0.348 1.00 50.03 C ATOM 1333 O HIS A 78 -7.900 -13.211 0.286 1.00 72.03 O ATOM 1334 CB HIS A 78 -10.329 -13.115 -1.234 1.00 64.21 C ATOM 1335 CG HIS A 78 -11.820 -13.009 -1.267 1.00 64.20 C ATOM 1336 ND1 HIS A 78 -12.552 -12.977 -2.435 1.00 34.53 N ATOM 1337 CD2 HIS A 78 -12.720 -12.943 -0.261 1.00 21.20 C ATOM 1338 CE1 HIS A 78 -13.837 -12.895 -2.144 1.00 50.12 C ATOM 1339 NE2 HIS A 78 -13.961 -12.871 -0.831 1.00 74.41 N ATOM 0 H HIS A 78 -9.570 -11.022 -2.587 1.00 31.22 H new ATOM 0 HA HIS A 78 -10.142 -11.570 0.245 1.00 61.34 H new ATOM 0 HB2 HIS A 78 -9.964 -13.297 -2.245 1.00 64.21 H new ATOM 0 HB3 HIS A 78 -10.048 -13.980 -0.633 1.00 64.21 H new ATOM 0 HD2 HIS A 78 -12.500 -12.946 0.796 1.00 21.20 H new ATOM 0 HE1 HIS A 78 -14.647 -12.855 -2.858 1.00 50.12 H new ATOM 0 HE2 HIS A 78 -14.843 -12.809 -0.322 1.00 74.41 H new ATOM 1348 N GLU A 79 -7.276 -11.327 -0.769 1.00 75.21 N ATOM 1349 CA GLU A 79 -5.851 -11.566 -0.584 1.00 11.41 C ATOM 1350 C GLU A 79 -5.331 -10.814 0.641 1.00 22.04 C ATOM 1351 O GLU A 79 -4.120 -10.693 0.848 1.00 62.43 O ATOM 1352 CB GLU A 79 -5.085 -11.138 -1.838 1.00 43.43 C ATOM 1353 CG GLU A 79 -3.772 -11.876 -2.028 1.00 10.13 C ATOM 1354 CD GLU A 79 -3.973 -13.375 -2.067 1.00 1.32 C ATOM 1355 OE1 GLU A 79 -4.486 -13.888 -3.080 1.00 44.13 O ATOM 1356 OE2 GLU A 79 -3.649 -14.049 -1.070 1.00 3.01 O ATOM 0 H GLU A 79 -7.500 -10.451 -1.240 1.00 75.21 H new ATOM 0 HA GLU A 79 -5.694 -12.632 -0.419 1.00 11.41 H new ATOM 0 HB2 GLU A 79 -5.715 -11.302 -2.712 1.00 43.43 H new ATOM 0 HB3 GLU A 79 -4.886 -10.068 -1.785 1.00 43.43 H new ATOM 0 HG2 GLU A 79 -3.301 -11.548 -2.955 1.00 10.13 H new ATOM 0 HG3 GLU A 79 -3.091 -11.621 -1.216 1.00 10.13 H new ATOM 1363 N LEU A 80 -6.250 -10.310 1.451 1.00 4.04 N ATOM 1364 CA LEU A 80 -5.895 -9.585 2.665 1.00 54.13 C ATOM 1365 C LEU A 80 -7.020 -9.681 3.689 1.00 54.53 C ATOM 1366 O LEU A 80 -8.186 -9.827 3.321 1.00 0.00 O ATOM 1367 CB LEU A 80 -5.586 -8.105 2.368 1.00 52.20 C ATOM 1368 CG LEU A 80 -6.776 -7.235 1.936 1.00 71.34 C ATOM 1369 CD1 LEU A 80 -6.421 -5.762 2.061 1.00 61.04 C ATOM 1370 CD2 LEU A 80 -7.192 -7.549 0.507 1.00 43.21 C ATOM 0 H LEU A 80 -7.254 -10.390 1.289 1.00 4.04 H new ATOM 0 HA LEU A 80 -4.995 -10.046 3.072 1.00 54.13 H new ATOM 0 HB2 LEU A 80 -5.144 -7.662 3.261 1.00 52.20 H new ATOM 0 HB3 LEU A 80 -4.830 -8.064 1.584 1.00 52.20 H new ATOM 0 HG LEU A 80 -7.615 -7.459 2.594 1.00 71.34 H new ATOM 0 HD11 LEU A 80 -7.272 -5.155 1.752 1.00 61.04 H new ATOM 0 HD12 LEU A 80 -6.170 -5.535 3.097 1.00 61.04 H new ATOM 0 HD13 LEU A 80 -5.566 -5.539 1.423 1.00 61.04 H new ATOM 0 HD21 LEU A 80 -8.036 -6.919 0.227 1.00 43.21 H new ATOM 0 HD22 LEU A 80 -6.356 -7.356 -0.166 1.00 43.21 H new ATOM 0 HD23 LEU A 80 -7.482 -8.597 0.434 1.00 43.21 H new ATOM 1382 N PRO A 81 -6.680 -9.623 4.988 1.00 63.32 N ATOM 1383 CA PRO A 81 -7.664 -9.614 6.070 1.00 3.42 C ATOM 1384 C PRO A 81 -8.330 -8.241 6.216 1.00 3.23 C ATOM 1385 O PRO A 81 -8.341 -7.444 5.277 1.00 70.45 O ATOM 1386 CB PRO A 81 -6.832 -9.947 7.325 1.00 40.03 C ATOM 1387 CG PRO A 81 -5.453 -10.263 6.835 1.00 52.30 C ATOM 1388 CD PRO A 81 -5.312 -9.581 5.509 1.00 63.05 C ATOM 0 HA PRO A 81 -8.477 -10.318 5.893 1.00 3.42 H new ATOM 0 HB2 PRO A 81 -6.817 -9.105 8.017 1.00 40.03 H new ATOM 0 HB3 PRO A 81 -7.259 -10.794 7.862 1.00 40.03 H new ATOM 0 HG2 PRO A 81 -4.700 -9.907 7.538 1.00 52.30 H new ATOM 0 HG3 PRO A 81 -5.313 -11.339 6.736 1.00 52.30 H new ATOM 0 HD2 PRO A 81 -4.948 -8.559 5.614 1.00 63.05 H new ATOM 0 HD3 PRO A 81 -4.612 -10.103 4.856 1.00 63.05 H new ATOM 1396 N ALA A 82 -8.868 -7.965 7.398 1.00 71.42 N ATOM 1397 CA ALA A 82 -9.526 -6.688 7.677 1.00 11.11 C ATOM 1398 C ALA A 82 -8.500 -5.586 7.948 1.00 42.12 C ATOM 1399 O ALA A 82 -8.645 -4.796 8.885 1.00 63.42 O ATOM 1400 CB ALA A 82 -10.467 -6.843 8.866 1.00 11.45 C ATOM 0 H ALA A 82 -8.863 -8.612 8.186 1.00 71.42 H new ATOM 0 HA ALA A 82 -10.102 -6.397 6.799 1.00 11.11 H new ATOM 0 HB1 ALA A 82 -10.955 -5.890 9.071 1.00 11.45 H new ATOM 0 HB2 ALA A 82 -11.222 -7.595 8.637 1.00 11.45 H new ATOM 0 HB3 ALA A 82 -9.898 -7.155 9.742 1.00 11.45 H new ATOM 1406 N MET A 83 -7.479 -5.526 7.106 1.00 14.34 N ATOM 1407 CA MET A 83 -6.386 -4.580 7.276 1.00 33.23 C ATOM 1408 C MET A 83 -6.374 -3.590 6.118 1.00 51.34 C ATOM 1409 O MET A 83 -6.756 -3.936 4.998 1.00 31.34 O ATOM 1410 CB MET A 83 -5.042 -5.317 7.313 1.00 22.32 C ATOM 1411 CG MET A 83 -5.019 -6.538 8.220 1.00 54.45 C ATOM 1412 SD MET A 83 -5.228 -6.136 9.965 1.00 14.30 S ATOM 1413 CE MET A 83 -5.242 -7.770 10.692 1.00 25.33 C ATOM 0 H MET A 83 -7.385 -6.129 6.289 1.00 14.34 H new ATOM 0 HA MET A 83 -6.533 -4.050 8.217 1.00 33.23 H new ATOM 0 HB2 MET A 83 -4.784 -5.627 6.300 1.00 22.32 H new ATOM 0 HB3 MET A 83 -4.269 -4.622 7.641 1.00 22.32 H new ATOM 0 HG2 MET A 83 -5.810 -7.223 7.915 1.00 54.45 H new ATOM 0 HG3 MET A 83 -4.073 -7.063 8.086 1.00 54.45 H new ATOM 0 HE1 MET A 83 -5.365 -7.687 11.772 1.00 25.33 H new ATOM 0 HE2 MET A 83 -6.069 -8.346 10.276 1.00 25.33 H new ATOM 0 HE3 MET A 83 -4.301 -8.274 10.472 1.00 25.33 H new ATOM 1423 N ASP A 84 -5.941 -2.371 6.383 1.00 55.34 N ATOM 1424 CA ASP A 84 -5.786 -1.376 5.332 1.00 23.44 C ATOM 1425 C ASP A 84 -4.309 -1.062 5.139 1.00 60.43 C ATOM 1426 O ASP A 84 -3.497 -1.280 6.041 1.00 50.33 O ATOM 1427 CB ASP A 84 -6.564 -0.095 5.657 1.00 60.13 C ATOM 1428 CG ASP A 84 -5.917 0.737 6.748 1.00 75.32 C ATOM 1429 OD1 ASP A 84 -5.751 0.223 7.874 1.00 12.21 O ATOM 1430 OD2 ASP A 84 -5.605 1.919 6.486 1.00 55.40 O ATOM 0 H ASP A 84 -5.690 -2.044 7.316 1.00 55.34 H new ATOM 0 HA ASP A 84 -6.194 -1.786 4.408 1.00 23.44 H new ATOM 0 HB2 ASP A 84 -6.652 0.508 4.753 1.00 60.13 H new ATOM 0 HB3 ASP A 84 -7.576 -0.360 5.963 1.00 60.13 H new ATOM 1435 N PHE A 85 -3.958 -0.573 3.960 1.00 22.23 N ATOM 1436 CA PHE A 85 -2.564 -0.292 3.642 1.00 32.25 C ATOM 1437 C PHE A 85 -2.440 1.025 2.892 1.00 62.40 C ATOM 1438 O PHE A 85 -3.234 1.310 1.993 1.00 14.32 O ATOM 1439 CB PHE A 85 -1.961 -1.423 2.800 1.00 74.10 C ATOM 1440 CG PHE A 85 -1.944 -2.757 3.490 1.00 41.10 C ATOM 1441 CD1 PHE A 85 -0.985 -3.046 4.447 1.00 33.33 C ATOM 1442 CD2 PHE A 85 -2.892 -3.719 3.185 1.00 11.14 C ATOM 1443 CE1 PHE A 85 -0.970 -4.270 5.086 1.00 20.43 C ATOM 1444 CE2 PHE A 85 -2.884 -4.946 3.820 1.00 1.21 C ATOM 1445 CZ PHE A 85 -1.922 -5.223 4.772 1.00 71.53 C ATOM 0 H PHE A 85 -4.615 -0.363 3.209 1.00 22.23 H new ATOM 0 HA PHE A 85 -2.015 -0.219 4.581 1.00 32.25 H new ATOM 0 HB2 PHE A 85 -2.527 -1.513 1.872 1.00 74.10 H new ATOM 0 HB3 PHE A 85 -0.941 -1.154 2.527 1.00 74.10 H new ATOM 0 HD1 PHE A 85 -0.240 -2.305 4.696 1.00 33.33 H new ATOM 0 HD2 PHE A 85 -3.647 -3.508 2.442 1.00 11.14 H new ATOM 0 HE1 PHE A 85 -0.216 -4.483 5.830 1.00 20.43 H new ATOM 0 HE2 PHE A 85 -3.629 -5.688 3.572 1.00 1.21 H new ATOM 0 HZ PHE A 85 -1.913 -6.181 5.270 1.00 71.53 H new ATOM 1455 N VAL A 86 -1.443 1.820 3.254 1.00 34.04 N ATOM 1456 CA VAL A 86 -1.193 3.084 2.580 1.00 43.04 C ATOM 1457 C VAL A 86 -0.258 2.862 1.390 1.00 63.54 C ATOM 1458 O VAL A 86 0.797 2.239 1.517 1.00 75.24 O ATOM 1459 CB VAL A 86 -0.610 4.147 3.547 1.00 62.12 C ATOM 1460 CG1 VAL A 86 0.655 3.643 4.225 1.00 44.31 C ATOM 1461 CG2 VAL A 86 -0.344 5.458 2.820 1.00 41.43 C ATOM 0 H VAL A 86 -0.794 1.611 4.012 1.00 34.04 H new ATOM 0 HA VAL A 86 -2.147 3.469 2.218 1.00 43.04 H new ATOM 0 HB VAL A 86 -1.355 4.331 4.321 1.00 62.12 H new ATOM 0 HG11 VAL A 86 1.039 4.411 4.896 1.00 44.31 H new ATOM 0 HG12 VAL A 86 0.428 2.743 4.796 1.00 44.31 H new ATOM 0 HG13 VAL A 86 1.406 3.413 3.469 1.00 44.31 H new ATOM 0 HG21 VAL A 86 0.064 6.186 3.521 1.00 41.43 H new ATOM 0 HG22 VAL A 86 0.371 5.289 2.015 1.00 41.43 H new ATOM 0 HG23 VAL A 86 -1.277 5.839 2.403 1.00 41.43 H new ATOM 1471 N VAL A 87 -0.664 3.349 0.232 1.00 4.31 N ATOM 1472 CA VAL A 87 0.096 3.138 -0.987 1.00 5.04 C ATOM 1473 C VAL A 87 0.690 4.449 -1.477 1.00 43.54 C ATOM 1474 O VAL A 87 -0.037 5.352 -1.890 1.00 54.33 O ATOM 1475 CB VAL A 87 -0.784 2.527 -2.098 1.00 52.23 C ATOM 1476 CG1 VAL A 87 0.048 2.206 -3.329 1.00 53.40 C ATOM 1477 CG2 VAL A 87 -1.497 1.281 -1.596 1.00 32.21 C ATOM 0 H VAL A 87 -1.517 3.894 0.109 1.00 4.31 H new ATOM 0 HA VAL A 87 0.899 2.439 -0.755 1.00 5.04 H new ATOM 0 HB VAL A 87 -1.537 3.264 -2.377 1.00 52.23 H new ATOM 0 HG11 VAL A 87 -0.593 1.776 -4.099 1.00 53.40 H new ATOM 0 HG12 VAL A 87 0.507 3.120 -3.707 1.00 53.40 H new ATOM 0 HG13 VAL A 87 0.827 1.491 -3.065 1.00 53.40 H new ATOM 0 HG21 VAL A 87 -2.112 0.867 -2.395 1.00 32.21 H new ATOM 0 HG22 VAL A 87 -0.760 0.541 -1.284 1.00 32.21 H new ATOM 0 HG23 VAL A 87 -2.131 1.541 -0.748 1.00 32.21 H new ATOM 1487 N VAL A 88 2.007 4.551 -1.421 1.00 41.10 N ATOM 1488 CA VAL A 88 2.700 5.752 -1.864 1.00 75.00 C ATOM 1489 C VAL A 88 3.524 5.453 -3.111 1.00 71.30 C ATOM 1490 O VAL A 88 4.432 4.621 -3.085 1.00 45.15 O ATOM 1491 CB VAL A 88 3.624 6.323 -0.764 1.00 31.44 C ATOM 1492 CG1 VAL A 88 4.302 7.603 -1.239 1.00 15.22 C ATOM 1493 CG2 VAL A 88 2.840 6.572 0.519 1.00 24.21 C ATOM 0 H VAL A 88 2.621 3.815 -1.072 1.00 41.10 H new ATOM 0 HA VAL A 88 1.940 6.500 -2.091 1.00 75.00 H new ATOM 0 HB VAL A 88 4.400 5.587 -0.553 1.00 31.44 H new ATOM 0 HG11 VAL A 88 4.947 7.988 -0.449 1.00 15.22 H new ATOM 0 HG12 VAL A 88 4.900 7.391 -2.125 1.00 15.22 H new ATOM 0 HG13 VAL A 88 3.544 8.347 -1.483 1.00 15.22 H new ATOM 0 HG21 VAL A 88 3.508 6.974 1.281 1.00 24.21 H new ATOM 0 HG22 VAL A 88 2.040 7.287 0.324 1.00 24.21 H new ATOM 0 HG23 VAL A 88 2.411 5.634 0.871 1.00 24.21 H new ATOM 1503 N ALA A 89 3.199 6.123 -4.202 1.00 54.32 N ATOM 1504 CA ALA A 89 3.884 5.899 -5.462 1.00 1.23 C ATOM 1505 C ALA A 89 5.061 6.855 -5.621 1.00 51.34 C ATOM 1506 O ALA A 89 5.034 7.978 -5.118 1.00 74.12 O ATOM 1507 CB ALA A 89 2.910 6.052 -6.618 1.00 54.32 C ATOM 0 H ALA A 89 2.463 6.828 -4.241 1.00 54.32 H new ATOM 0 HA ALA A 89 4.277 4.882 -5.465 1.00 1.23 H new ATOM 0 HB1 ALA A 89 3.433 5.882 -7.559 1.00 54.32 H new ATOM 0 HB2 ALA A 89 2.105 5.325 -6.514 1.00 54.32 H new ATOM 0 HB3 ALA A 89 2.493 7.059 -6.611 1.00 54.32 H new ATOM 1513 N LYS A 90 6.096 6.400 -6.313 1.00 0.13 N ATOM 1514 CA LYS A 90 7.272 7.220 -6.552 1.00 40.43 C ATOM 1515 C LYS A 90 7.128 7.997 -7.852 1.00 61.21 C ATOM 1516 O LYS A 90 6.170 7.803 -8.605 1.00 1.20 O ATOM 1517 CB LYS A 90 8.526 6.344 -6.611 1.00 21.23 C ATOM 1518 CG LYS A 90 8.832 5.589 -5.324 1.00 51.42 C ATOM 1519 CD LYS A 90 9.693 6.401 -4.364 1.00 53.32 C ATOM 1520 CE LYS A 90 8.946 7.580 -3.761 1.00 33.43 C ATOM 1521 NZ LYS A 90 9.792 8.325 -2.794 1.00 23.42 N ATOM 0 H LYS A 90 6.144 5.465 -6.719 1.00 0.13 H new ATOM 0 HA LYS A 90 7.368 7.927 -5.728 1.00 40.43 H new ATOM 0 HB2 LYS A 90 8.413 5.624 -7.421 1.00 21.23 H new ATOM 0 HB3 LYS A 90 9.381 6.972 -6.860 1.00 21.23 H new ATOM 0 HG2 LYS A 90 7.897 5.322 -4.832 1.00 51.42 H new ATOM 0 HG3 LYS A 90 9.343 4.657 -5.566 1.00 51.42 H new ATOM 0 HD2 LYS A 90 10.047 5.752 -3.563 1.00 53.32 H new ATOM 0 HD3 LYS A 90 10.574 6.766 -4.892 1.00 53.32 H new ATOM 0 HE2 LYS A 90 8.623 8.252 -4.556 1.00 33.43 H new ATOM 0 HE3 LYS A 90 8.046 7.224 -3.259 1.00 33.43 H new ATOM 0 HZ1 LYS A 90 9.251 9.122 -2.402 1.00 23.42 H new ATOM 0 HZ2 LYS A 90 10.080 7.689 -2.023 1.00 23.42 H new ATOM 0 HZ3 LYS A 90 10.638 8.686 -3.279 1.00 23.42 H new ATOM 1535 N LYS A 91 8.083 8.877 -8.116 1.00 0.04 N ATOM 1536 CA LYS A 91 8.082 9.643 -9.346 1.00 65.24 C ATOM 1537 C LYS A 91 8.561 8.769 -10.493 1.00 33.10 C ATOM 1538 O LYS A 91 9.672 8.234 -10.459 1.00 21.13 O ATOM 1539 CB LYS A 91 8.974 10.881 -9.212 1.00 63.55 C ATOM 1540 CG LYS A 91 8.899 11.821 -10.406 1.00 21.31 C ATOM 1541 CD LYS A 91 9.820 13.025 -10.243 1.00 24.41 C ATOM 1542 CE LYS A 91 11.279 12.684 -10.528 1.00 2.41 C ATOM 1543 NZ LYS A 91 11.896 11.824 -9.482 1.00 14.14 N ATOM 0 H LYS A 91 8.866 9.076 -7.493 1.00 0.04 H new ATOM 0 HA LYS A 91 7.065 9.978 -9.551 1.00 65.24 H new ATOM 0 HB2 LYS A 91 8.690 11.427 -8.313 1.00 63.55 H new ATOM 0 HB3 LYS A 91 10.007 10.561 -9.077 1.00 63.55 H new ATOM 0 HG2 LYS A 91 9.168 11.278 -11.312 1.00 21.31 H new ATOM 0 HG3 LYS A 91 7.872 12.164 -10.533 1.00 21.31 H new ATOM 0 HD2 LYS A 91 9.497 13.820 -10.916 1.00 24.41 H new ATOM 0 HD3 LYS A 91 9.732 13.412 -9.228 1.00 24.41 H new ATOM 0 HE2 LYS A 91 11.345 12.178 -11.491 1.00 2.41 H new ATOM 0 HE3 LYS A 91 11.851 13.608 -10.613 1.00 2.41 H new ATOM 0 HZ1 LYS A 91 12.886 12.109 -9.338 1.00 14.14 H new ATOM 0 HZ2 LYS A 91 11.372 11.932 -8.590 1.00 14.14 H new ATOM 0 HZ3 LYS A 91 11.862 10.830 -9.786 1.00 14.14 H new ATOM 1557 N GLY A 92 7.717 8.610 -11.498 1.00 53.30 N ATOM 1558 CA GLY A 92 8.077 7.785 -12.631 1.00 61.51 C ATOM 1559 C GLY A 92 7.040 6.722 -12.918 1.00 43.54 C ATOM 1560 O GLY A 92 6.936 6.241 -14.043 1.00 72.42 O ATOM 0 H GLY A 92 6.792 9.036 -11.551 1.00 53.30 H new ATOM 0 HA2 GLY A 92 8.202 8.415 -13.512 1.00 61.51 H new ATOM 0 HA3 GLY A 92 9.039 7.309 -12.440 1.00 61.51 H new ATOM 1564 N VAL A 93 6.263 6.361 -11.899 1.00 50.00 N ATOM 1565 CA VAL A 93 5.212 5.353 -12.047 1.00 5.51 C ATOM 1566 C VAL A 93 4.172 5.804 -13.075 1.00 50.24 C ATOM 1567 O VAL A 93 3.548 4.989 -13.754 1.00 22.52 O ATOM 1568 CB VAL A 93 4.513 5.063 -10.694 1.00 42.44 C ATOM 1569 CG1 VAL A 93 3.710 6.267 -10.215 1.00 54.44 C ATOM 1570 CG2 VAL A 93 3.628 3.828 -10.794 1.00 60.13 C ATOM 0 H VAL A 93 6.341 6.751 -10.960 1.00 50.00 H new ATOM 0 HA VAL A 93 5.687 4.436 -12.395 1.00 5.51 H new ATOM 0 HB VAL A 93 5.290 4.867 -9.956 1.00 42.44 H new ATOM 0 HG11 VAL A 93 3.232 6.031 -9.264 1.00 54.44 H new ATOM 0 HG12 VAL A 93 4.376 7.120 -10.085 1.00 54.44 H new ATOM 0 HG13 VAL A 93 2.947 6.512 -10.953 1.00 54.44 H new ATOM 0 HG21 VAL A 93 3.149 3.645 -9.832 1.00 60.13 H new ATOM 0 HG22 VAL A 93 2.865 3.988 -11.555 1.00 60.13 H new ATOM 0 HG23 VAL A 93 4.236 2.965 -11.066 1.00 60.13 H new ATOM 1580 N ALA A 94 4.031 7.115 -13.208 1.00 22.53 N ATOM 1581 CA ALA A 94 3.069 7.704 -14.125 1.00 11.43 C ATOM 1582 C ALA A 94 3.633 7.765 -15.541 1.00 63.15 C ATOM 1583 O ALA A 94 2.992 8.276 -16.454 1.00 4.31 O ATOM 1584 CB ALA A 94 2.692 9.098 -13.644 1.00 13.32 C ATOM 0 H ALA A 94 4.579 7.798 -12.684 1.00 22.53 H new ATOM 0 HA ALA A 94 2.177 7.078 -14.146 1.00 11.43 H new ATOM 0 HB1 ALA A 94 1.971 9.538 -14.333 1.00 13.32 H new ATOM 0 HB2 ALA A 94 2.251 9.033 -12.649 1.00 13.32 H new ATOM 0 HB3 ALA A 94 3.584 9.723 -13.605 1.00 13.32 H new ATOM 1590 N ASP A 95 4.833 7.235 -15.721 1.00 73.14 N ATOM 1591 CA ASP A 95 5.498 7.296 -17.013 1.00 41.43 C ATOM 1592 C ASP A 95 6.070 5.931 -17.379 1.00 71.42 C ATOM 1593 O ASP A 95 7.032 5.821 -18.141 1.00 3.20 O ATOM 1594 CB ASP A 95 6.605 8.354 -16.974 1.00 30.14 C ATOM 1595 CG ASP A 95 7.048 8.783 -18.357 1.00 14.42 C ATOM 1596 OD1 ASP A 95 6.203 9.307 -19.116 1.00 45.23 O ATOM 1597 OD2 ASP A 95 8.241 8.604 -18.689 1.00 72.34 O ATOM 0 H ASP A 95 5.364 6.760 -14.992 1.00 73.14 H new ATOM 0 HA ASP A 95 4.772 7.575 -17.777 1.00 41.43 H new ATOM 0 HB2 ASP A 95 6.251 9.225 -16.423 1.00 30.14 H new ATOM 0 HB3 ASP A 95 7.462 7.959 -16.428 1.00 30.14 H new ATOM 1602 N LEU A 96 5.461 4.884 -16.840 1.00 11.44 N ATOM 1603 CA LEU A 96 5.922 3.525 -17.089 1.00 3.25 C ATOM 1604 C LEU A 96 5.022 2.807 -18.088 1.00 24.25 C ATOM 1605 O LEU A 96 3.857 3.174 -18.274 1.00 51.25 O ATOM 1606 CB LEU A 96 5.974 2.726 -15.784 1.00 52.52 C ATOM 1607 CG LEU A 96 6.991 3.216 -14.751 1.00 2.34 C ATOM 1608 CD1 LEU A 96 6.924 2.364 -13.492 1.00 73.34 C ATOM 1609 CD2 LEU A 96 8.394 3.196 -15.338 1.00 73.31 C ATOM 0 H LEU A 96 4.647 4.949 -16.228 1.00 11.44 H new ATOM 0 HA LEU A 96 6.924 3.594 -17.511 1.00 3.25 H new ATOM 0 HB2 LEU A 96 4.984 2.742 -15.329 1.00 52.52 H new ATOM 0 HB3 LEU A 96 6.198 1.686 -16.024 1.00 52.52 H new ATOM 0 HG LEU A 96 6.745 4.243 -14.482 1.00 2.34 H new ATOM 0 HD11 LEU A 96 7.654 2.726 -12.768 1.00 73.34 H new ATOM 0 HD12 LEU A 96 5.924 2.428 -13.062 1.00 73.34 H new ATOM 0 HD13 LEU A 96 7.146 1.327 -13.742 1.00 73.34 H new ATOM 0 HD21 LEU A 96 9.106 3.547 -14.591 1.00 73.31 H new ATOM 0 HD22 LEU A 96 8.650 2.179 -15.633 1.00 73.31 H new ATOM 0 HD23 LEU A 96 8.433 3.848 -16.211 1.00 73.31 H new ATOM 1621 N ASP A 97 5.581 1.792 -18.736 1.00 51.32 N ATOM 1622 CA ASP A 97 4.822 0.921 -19.625 1.00 33.01 C ATOM 1623 C ASP A 97 3.728 0.201 -18.846 1.00 75.25 C ATOM 1624 O ASP A 97 3.934 -0.192 -17.698 1.00 64.44 O ATOM 1625 CB ASP A 97 5.737 -0.135 -20.264 1.00 1.41 C ATOM 1626 CG ASP A 97 6.796 0.434 -21.189 1.00 24.30 C ATOM 1627 OD1 ASP A 97 7.622 1.255 -20.734 1.00 34.22 O ATOM 1628 OD2 ASP A 97 6.831 0.034 -22.370 1.00 63.14 O ATOM 0 H ASP A 97 6.569 1.550 -18.661 1.00 51.32 H new ATOM 0 HA ASP A 97 4.382 1.543 -20.405 1.00 33.01 H new ATOM 0 HB2 ASP A 97 6.229 -0.700 -19.472 1.00 1.41 H new ATOM 0 HB3 ASP A 97 5.123 -0.840 -20.824 1.00 1.41 H new ATOM 1633 N ASN A 98 2.570 0.020 -19.468 1.00 1.42 N ATOM 1634 CA ASN A 98 1.507 -0.788 -18.868 1.00 5.21 C ATOM 1635 C ASN A 98 1.991 -2.222 -18.711 1.00 70.42 C ATOM 1636 O ASN A 98 1.626 -2.923 -17.769 1.00 30.51 O ATOM 1637 CB ASN A 98 0.237 -0.749 -19.723 1.00 30.51 C ATOM 1638 CG ASN A 98 -0.412 0.622 -19.737 1.00 72.42 C ATOM 1639 OD1 ASN A 98 -0.312 1.378 -18.774 1.00 1.25 O ATOM 1640 ND2 ASN A 98 -1.071 0.957 -20.837 1.00 43.40 N ATOM 0 H ASN A 98 2.340 0.416 -20.379 1.00 1.42 H new ATOM 0 HA ASN A 98 1.264 -0.375 -17.889 1.00 5.21 H new ATOM 0 HB2 ASN A 98 0.481 -1.042 -20.744 1.00 30.51 H new ATOM 0 HB3 ASN A 98 -0.476 -1.481 -19.343 1.00 30.51 H new ATOM 0 HD21 ASN A 98 -1.518 1.871 -20.905 1.00 43.40 H new ATOM 0 HD22 ASN A 98 -1.131 0.301 -21.615 1.00 43.40 H new ATOM 1647 N ARG A 99 2.844 -2.629 -19.643 1.00 2.33 N ATOM 1648 CA ARG A 99 3.498 -3.928 -19.602 1.00 55.31 C ATOM 1649 C ARG A 99 4.311 -4.087 -18.314 1.00 61.53 C ATOM 1650 O ARG A 99 4.260 -5.128 -17.660 1.00 75.31 O ATOM 1651 CB ARG A 99 4.395 -4.068 -20.835 1.00 41.23 C ATOM 1652 CG ARG A 99 5.380 -5.221 -20.780 1.00 22.53 C ATOM 1653 CD ARG A 99 6.286 -5.223 -22.000 1.00 14.34 C ATOM 1654 NE ARG A 99 6.855 -3.896 -22.258 1.00 73.04 N ATOM 1655 CZ ARG A 99 7.636 -3.603 -23.300 1.00 22.24 C ATOM 1656 NH1 ARG A 99 8.069 -4.569 -24.101 1.00 54.34 N ATOM 1657 NH2 ARG A 99 8.008 -2.344 -23.519 1.00 52.21 N ATOM 0 H ARG A 99 3.102 -2.063 -20.452 1.00 2.33 H new ATOM 0 HA ARG A 99 2.745 -4.716 -19.611 1.00 55.31 H new ATOM 0 HB2 ARG A 99 3.763 -4.191 -21.714 1.00 41.23 H new ATOM 0 HB3 ARG A 99 4.951 -3.140 -20.969 1.00 41.23 H new ATOM 0 HG2 ARG A 99 5.983 -5.146 -19.875 1.00 22.53 H new ATOM 0 HG3 ARG A 99 4.838 -6.165 -20.724 1.00 22.53 H new ATOM 0 HD2 ARG A 99 7.092 -5.942 -21.853 1.00 14.34 H new ATOM 0 HD3 ARG A 99 5.721 -5.552 -22.872 1.00 14.34 H new ATOM 0 HE ARG A 99 6.640 -3.148 -21.598 1.00 73.04 H new ATOM 0 HH11 ARG A 99 7.805 -5.538 -23.921 1.00 54.34 H new ATOM 0 HH12 ARG A 99 8.666 -4.343 -24.897 1.00 54.34 H new ATOM 0 HH21 ARG A 99 7.696 -1.603 -22.891 1.00 52.21 H new ATOM 0 HH22 ARG A 99 8.605 -2.120 -24.315 1.00 52.21 H new ATOM 1671 N ALA A 100 5.043 -3.040 -17.944 1.00 72.13 N ATOM 1672 CA ALA A 100 5.852 -3.057 -16.731 1.00 42.01 C ATOM 1673 C ALA A 100 4.970 -3.175 -15.496 1.00 11.25 C ATOM 1674 O ALA A 100 5.316 -3.864 -14.535 1.00 11.01 O ATOM 1675 CB ALA A 100 6.716 -1.807 -16.649 1.00 72.53 C ATOM 0 H ALA A 100 5.092 -2.167 -18.469 1.00 72.13 H new ATOM 0 HA ALA A 100 6.505 -3.929 -16.769 1.00 42.01 H new ATOM 0 HB1 ALA A 100 7.313 -1.837 -15.738 1.00 72.53 H new ATOM 0 HB2 ALA A 100 7.377 -1.764 -17.515 1.00 72.53 H new ATOM 0 HB3 ALA A 100 6.078 -0.924 -16.636 1.00 72.53 H new ATOM 1681 N LEU A 101 3.826 -2.501 -15.534 1.00 20.33 N ATOM 1682 CA LEU A 101 2.850 -2.584 -14.453 1.00 50.33 C ATOM 1683 C LEU A 101 2.315 -4.007 -14.329 1.00 32.21 C ATOM 1684 O LEU A 101 2.127 -4.518 -13.226 1.00 64.24 O ATOM 1685 CB LEU A 101 1.691 -1.612 -14.702 1.00 60.54 C ATOM 1686 CG LEU A 101 2.094 -0.144 -14.849 1.00 45.44 C ATOM 1687 CD1 LEU A 101 0.874 0.717 -15.134 1.00 43.41 C ATOM 1688 CD2 LEU A 101 2.815 0.346 -13.601 1.00 33.55 C ATOM 0 H LEU A 101 3.551 -1.890 -16.303 1.00 20.33 H new ATOM 0 HA LEU A 101 3.346 -2.310 -13.522 1.00 50.33 H new ATOM 0 HB2 LEU A 101 1.167 -1.921 -15.606 1.00 60.54 H new ATOM 0 HB3 LEU A 101 0.983 -1.697 -13.878 1.00 60.54 H new ATOM 0 HG LEU A 101 2.780 -0.061 -15.692 1.00 45.44 H new ATOM 0 HD11 LEU A 101 1.179 1.758 -15.236 1.00 43.41 H new ATOM 0 HD12 LEU A 101 0.403 0.385 -16.059 1.00 43.41 H new ATOM 0 HD13 LEU A 101 0.164 0.626 -14.312 1.00 43.41 H new ATOM 0 HD21 LEU A 101 3.092 1.392 -13.728 1.00 33.55 H new ATOM 0 HD22 LEU A 101 2.157 0.247 -12.738 1.00 33.55 H new ATOM 0 HD23 LEU A 101 3.713 -0.251 -13.442 1.00 33.55 H new ATOM 1700 N SER A 102 2.080 -4.638 -15.474 1.00 5.35 N ATOM 1701 CA SER A 102 1.608 -6.016 -15.520 1.00 2.13 C ATOM 1702 C SER A 102 2.622 -6.957 -14.865 1.00 13.13 C ATOM 1703 O SER A 102 2.255 -7.827 -14.071 1.00 33.54 O ATOM 1704 CB SER A 102 1.357 -6.432 -16.973 1.00 55.45 C ATOM 1705 OG SER A 102 0.863 -7.759 -17.059 1.00 65.11 O ATOM 0 H SER A 102 2.211 -4.211 -16.391 1.00 5.35 H new ATOM 0 HA SER A 102 0.673 -6.083 -14.964 1.00 2.13 H new ATOM 0 HB2 SER A 102 0.643 -5.747 -17.430 1.00 55.45 H new ATOM 0 HB3 SER A 102 2.284 -6.351 -17.540 1.00 55.45 H new ATOM 0 HG SER A 102 0.712 -7.992 -17.999 1.00 65.11 H new ATOM 1711 N GLU A 103 3.898 -6.764 -15.185 1.00 12.23 N ATOM 1712 CA GLU A 103 4.962 -7.592 -14.630 1.00 43.24 C ATOM 1713 C GLU A 103 5.051 -7.419 -13.115 1.00 73.40 C ATOM 1714 O GLU A 103 5.220 -8.388 -12.378 1.00 70.25 O ATOM 1715 CB GLU A 103 6.308 -7.233 -15.268 1.00 5.31 C ATOM 1716 CG GLU A 103 6.338 -7.374 -16.781 1.00 33.34 C ATOM 1717 CD GLU A 103 6.128 -8.799 -17.242 1.00 52.43 C ATOM 1718 OE1 GLU A 103 7.029 -9.636 -17.025 1.00 72.02 O ATOM 1719 OE2 GLU A 103 5.065 -9.089 -17.825 1.00 14.43 O ATOM 0 H GLU A 103 4.220 -6.040 -15.827 1.00 12.23 H new ATOM 0 HA GLU A 103 4.727 -8.633 -14.852 1.00 43.24 H new ATOM 0 HB2 GLU A 103 6.559 -6.205 -15.005 1.00 5.31 H new ATOM 0 HB3 GLU A 103 7.082 -7.870 -14.840 1.00 5.31 H new ATOM 0 HG2 GLU A 103 5.566 -6.739 -17.216 1.00 33.34 H new ATOM 0 HG3 GLU A 103 7.296 -7.013 -17.156 1.00 33.34 H new ATOM 1726 N ALA A 104 4.920 -6.177 -12.662 1.00 41.13 N ATOM 1727 CA ALA A 104 5.050 -5.854 -11.243 1.00 21.35 C ATOM 1728 C ALA A 104 3.851 -6.343 -10.435 1.00 22.45 C ATOM 1729 O ALA A 104 3.961 -6.586 -9.230 1.00 3.01 O ATOM 1730 CB ALA A 104 5.220 -4.354 -11.063 1.00 22.24 C ATOM 0 H ALA A 104 4.723 -5.373 -13.259 1.00 41.13 H new ATOM 0 HA ALA A 104 5.934 -6.370 -10.868 1.00 21.35 H new ATOM 0 HB1 ALA A 104 5.316 -4.123 -10.002 1.00 22.24 H new ATOM 0 HB2 ALA A 104 6.116 -4.024 -11.589 1.00 22.24 H new ATOM 0 HB3 ALA A 104 4.350 -3.838 -11.469 1.00 22.24 H new ATOM 1736 N LEU A 105 2.718 -6.496 -11.108 1.00 43.41 N ATOM 1737 CA LEU A 105 1.468 -6.867 -10.452 1.00 4.44 C ATOM 1738 C LEU A 105 1.618 -8.182 -9.685 1.00 20.22 C ATOM 1739 O LEU A 105 1.217 -8.281 -8.523 1.00 52.21 O ATOM 1740 CB LEU A 105 0.347 -6.973 -11.500 1.00 74.11 C ATOM 1741 CG LEU A 105 -1.087 -6.767 -10.982 1.00 12.13 C ATOM 1742 CD1 LEU A 105 -2.045 -6.552 -12.145 1.00 52.34 C ATOM 1743 CD2 LEU A 105 -1.548 -7.953 -10.147 1.00 45.14 C ATOM 0 H LEU A 105 2.638 -6.368 -12.117 1.00 43.41 H new ATOM 0 HA LEU A 105 1.209 -6.093 -9.730 1.00 4.44 H new ATOM 0 HB2 LEU A 105 0.538 -6.238 -12.282 1.00 74.11 H new ATOM 0 HB3 LEU A 105 0.405 -7.957 -11.966 1.00 74.11 H new ATOM 0 HG LEU A 105 -1.087 -5.880 -10.348 1.00 12.13 H new ATOM 0 HD11 LEU A 105 -3.055 -6.408 -11.762 1.00 52.34 H new ATOM 0 HD12 LEU A 105 -1.741 -5.670 -12.708 1.00 52.34 H new ATOM 0 HD13 LEU A 105 -2.026 -7.424 -12.798 1.00 52.34 H new ATOM 0 HD21 LEU A 105 -2.565 -7.777 -9.796 1.00 45.14 H new ATOM 0 HD22 LEU A 105 -1.526 -8.857 -10.756 1.00 45.14 H new ATOM 0 HD23 LEU A 105 -0.884 -8.075 -9.291 1.00 45.14 H new ATOM 1755 N GLU A 106 2.218 -9.182 -10.320 1.00 63.32 N ATOM 1756 CA GLU A 106 2.345 -10.495 -9.699 1.00 2.41 C ATOM 1757 C GLU A 106 3.366 -10.473 -8.563 1.00 22.24 C ATOM 1758 O GLU A 106 3.288 -11.277 -7.630 1.00 3.53 O ATOM 1759 CB GLU A 106 2.725 -11.563 -10.730 1.00 40.02 C ATOM 1760 CG GLU A 106 4.102 -11.376 -11.337 1.00 71.01 C ATOM 1761 CD GLU A 106 4.943 -12.632 -11.239 1.00 12.33 C ATOM 1762 OE1 GLU A 106 5.566 -12.856 -10.179 1.00 33.53 O ATOM 1763 OE2 GLU A 106 4.986 -13.404 -12.221 1.00 3.31 O ATOM 0 H GLU A 106 2.620 -9.111 -11.255 1.00 63.32 H new ATOM 0 HA GLU A 106 1.371 -10.751 -9.282 1.00 2.41 H new ATOM 0 HB2 GLU A 106 2.679 -12.543 -10.256 1.00 40.02 H new ATOM 0 HB3 GLU A 106 1.984 -11.561 -11.529 1.00 40.02 H new ATOM 0 HG2 GLU A 106 4.000 -11.089 -12.384 1.00 71.01 H new ATOM 0 HG3 GLU A 106 4.613 -10.557 -10.830 1.00 71.01 H new ATOM 1770 N LYS A 107 4.313 -9.540 -8.633 1.00 52.23 N ATOM 1771 CA LYS A 107 5.330 -9.428 -7.598 1.00 1.14 C ATOM 1772 C LYS A 107 4.690 -8.872 -6.334 1.00 53.42 C ATOM 1773 O LYS A 107 4.962 -9.334 -5.224 1.00 71.41 O ATOM 1774 CB LYS A 107 6.496 -8.521 -8.027 1.00 54.53 C ATOM 1775 CG LYS A 107 6.884 -8.604 -9.504 1.00 13.54 C ATOM 1776 CD LYS A 107 7.027 -10.036 -10.004 1.00 34.42 C ATOM 1777 CE LYS A 107 8.094 -10.818 -9.260 1.00 63.44 C ATOM 1778 NZ LYS A 107 8.131 -12.231 -9.717 1.00 60.14 N ATOM 0 H LYS A 107 4.395 -8.859 -9.388 1.00 52.23 H new ATOM 0 HA LYS A 107 5.739 -10.422 -7.417 1.00 1.14 H new ATOM 0 HB2 LYS A 107 6.235 -7.488 -7.795 1.00 54.53 H new ATOM 0 HB3 LYS A 107 7.369 -8.772 -7.425 1.00 54.53 H new ATOM 0 HG2 LYS A 107 6.130 -8.090 -10.101 1.00 13.54 H new ATOM 0 HG3 LYS A 107 7.825 -8.076 -9.657 1.00 13.54 H new ATOM 0 HD2 LYS A 107 6.070 -10.548 -9.901 1.00 34.42 H new ATOM 0 HD3 LYS A 107 7.269 -10.022 -11.067 1.00 34.42 H new ATOM 0 HE2 LYS A 107 9.068 -10.355 -9.419 1.00 63.44 H new ATOM 0 HE3 LYS A 107 7.896 -10.783 -8.189 1.00 63.44 H new ATOM 0 HZ1 LYS A 107 8.770 -12.777 -9.104 1.00 60.14 H new ATOM 0 HZ2 LYS A 107 7.174 -12.636 -9.669 1.00 60.14 H new ATOM 0 HZ3 LYS A 107 8.475 -12.270 -10.698 1.00 60.14 H new ATOM 1792 N LEU A 108 3.826 -7.882 -6.526 1.00 43.32 N ATOM 1793 CA LEU A 108 3.068 -7.298 -5.434 1.00 34.24 C ATOM 1794 C LEU A 108 2.115 -8.325 -4.840 1.00 30.14 C ATOM 1795 O LEU A 108 2.060 -8.495 -3.628 1.00 74.21 O ATOM 1796 CB LEU A 108 2.282 -6.080 -5.928 1.00 43.51 C ATOM 1797 CG LEU A 108 1.234 -5.531 -4.952 1.00 61.10 C ATOM 1798 CD1 LEU A 108 1.878 -5.091 -3.647 1.00 24.33 C ATOM 1799 CD2 LEU A 108 0.473 -4.378 -5.589 1.00 70.33 C ATOM 0 H LEU A 108 3.634 -7.466 -7.438 1.00 43.32 H new ATOM 0 HA LEU A 108 3.766 -6.979 -4.660 1.00 34.24 H new ATOM 0 HB2 LEU A 108 2.989 -5.283 -6.161 1.00 43.51 H new ATOM 0 HB3 LEU A 108 1.782 -6.345 -6.860 1.00 43.51 H new ATOM 0 HG LEU A 108 0.530 -6.331 -4.724 1.00 61.10 H new ATOM 0 HD11 LEU A 108 1.111 -4.706 -2.974 1.00 24.33 H new ATOM 0 HD12 LEU A 108 2.375 -5.942 -3.182 1.00 24.33 H new ATOM 0 HD13 LEU A 108 2.610 -4.309 -3.848 1.00 24.33 H new ATOM 0 HD21 LEU A 108 -0.268 -3.998 -4.885 1.00 70.33 H new ATOM 0 HD22 LEU A 108 1.170 -3.581 -5.848 1.00 70.33 H new ATOM 0 HD23 LEU A 108 -0.029 -4.728 -6.491 1.00 70.33 H new ATOM 1811 N TRP A 109 1.385 -9.012 -5.710 1.00 11.43 N ATOM 1812 CA TRP A 109 0.370 -9.978 -5.296 1.00 44.41 C ATOM 1813 C TRP A 109 0.924 -11.018 -4.321 1.00 31.13 C ATOM 1814 O TRP A 109 0.383 -11.202 -3.228 1.00 62.25 O ATOM 1815 CB TRP A 109 -0.216 -10.673 -6.530 1.00 1.52 C ATOM 1816 CG TRP A 109 -1.285 -11.674 -6.206 1.00 72.15 C ATOM 1817 CD1 TRP A 109 -2.514 -11.412 -5.675 1.00 12.23 C ATOM 1818 CD2 TRP A 109 -1.223 -13.092 -6.400 1.00 4.15 C ATOM 1819 NE1 TRP A 109 -3.219 -12.581 -5.523 1.00 60.13 N ATOM 1820 CE2 TRP A 109 -2.451 -13.626 -5.961 1.00 51.35 C ATOM 1821 CE3 TRP A 109 -0.252 -13.965 -6.902 1.00 3.41 C ATOM 1822 CZ2 TRP A 109 -2.729 -14.989 -6.009 1.00 21.03 C ATOM 1823 CZ3 TRP A 109 -0.531 -15.317 -6.947 1.00 2.34 C ATOM 1824 CH2 TRP A 109 -1.761 -15.818 -6.505 1.00 43.34 C ATOM 0 H TRP A 109 1.478 -8.917 -6.721 1.00 11.43 H new ATOM 0 HA TRP A 109 -0.413 -9.430 -4.772 1.00 44.41 H new ATOM 0 HB2 TRP A 109 -0.628 -9.918 -7.200 1.00 1.52 H new ATOM 0 HB3 TRP A 109 0.587 -11.174 -7.070 1.00 1.52 H new ATOM 0 HD1 TRP A 109 -2.879 -10.430 -5.413 1.00 12.23 H new ATOM 0 HE1 TRP A 109 -4.163 -12.658 -5.145 1.00 60.13 H new ATOM 0 HE3 TRP A 109 0.699 -13.588 -7.248 1.00 3.41 H new ATOM 0 HZ2 TRP A 109 -3.676 -15.378 -5.666 1.00 21.03 H new ATOM 0 HZ3 TRP A 109 0.213 -16.000 -7.330 1.00 2.34 H new ATOM 0 HH2 TRP A 109 -1.949 -16.880 -6.557 1.00 43.34 H new ATOM 1835 N ARG A 110 2.009 -11.677 -4.704 1.00 33.31 N ATOM 1836 CA ARG A 110 2.560 -12.765 -3.902 1.00 2.33 C ATOM 1837 C ARG A 110 3.124 -12.272 -2.569 1.00 45.15 C ATOM 1838 O ARG A 110 2.925 -12.908 -1.533 1.00 52.12 O ATOM 1839 CB ARG A 110 3.612 -13.535 -4.700 1.00 71.22 C ATOM 1840 CG ARG A 110 2.994 -14.414 -5.773 1.00 74.30 C ATOM 1841 CD ARG A 110 4.037 -15.110 -6.632 1.00 64.33 C ATOM 1842 NE ARG A 110 3.417 -16.121 -7.489 1.00 20.30 N ATOM 1843 CZ ARG A 110 3.483 -16.127 -8.821 1.00 21.33 C ATOM 1844 NH1 ARG A 110 4.150 -15.186 -9.475 1.00 61.12 N ATOM 1845 NH2 ARG A 110 2.867 -17.078 -9.505 1.00 40.13 N ATOM 0 H ARG A 110 2.525 -11.480 -5.562 1.00 33.31 H new ATOM 0 HA ARG A 110 1.742 -13.444 -3.662 1.00 2.33 H new ATOM 0 HB2 ARG A 110 4.301 -12.829 -5.164 1.00 71.22 H new ATOM 0 HB3 ARG A 110 4.199 -14.153 -4.021 1.00 71.22 H new ATOM 0 HG2 ARG A 110 2.358 -15.163 -5.302 1.00 74.30 H new ATOM 0 HG3 ARG A 110 2.351 -13.806 -6.410 1.00 74.30 H new ATOM 0 HD2 ARG A 110 4.557 -14.375 -7.247 1.00 64.33 H new ATOM 0 HD3 ARG A 110 4.786 -15.578 -5.994 1.00 64.33 H new ATOM 0 HE ARG A 110 2.898 -16.874 -7.036 1.00 20.30 H new ATOM 0 HH11 ARG A 110 4.622 -14.443 -8.959 1.00 61.12 H new ATOM 0 HH12 ARG A 110 4.191 -15.205 -10.494 1.00 61.12 H new ATOM 0 HH21 ARG A 110 2.344 -17.803 -9.013 1.00 40.13 H new ATOM 0 HH22 ARG A 110 2.915 -17.086 -10.524 1.00 40.13 H new ATOM 1859 N ARG A 111 3.806 -11.134 -2.584 1.00 35.35 N ATOM 1860 CA ARG A 111 4.340 -10.561 -1.354 1.00 1.34 C ATOM 1861 C ARG A 111 3.204 -9.987 -0.507 1.00 62.31 C ATOM 1862 O ARG A 111 3.248 -10.033 0.720 1.00 74.13 O ATOM 1863 CB ARG A 111 5.401 -9.501 -1.687 1.00 20.43 C ATOM 1864 CG ARG A 111 5.916 -8.685 -0.501 1.00 13.22 C ATOM 1865 CD ARG A 111 6.166 -9.523 0.751 1.00 0.33 C ATOM 1866 NE ARG A 111 6.935 -10.744 0.499 1.00 44.55 N ATOM 1867 CZ ARG A 111 7.410 -11.524 1.474 1.00 13.34 C ATOM 1868 NH1 ARG A 111 7.291 -11.145 2.742 1.00 4.55 N ATOM 1869 NH2 ARG A 111 8.012 -12.668 1.180 1.00 52.21 N ATOM 0 H ARG A 111 4.002 -10.593 -3.426 1.00 35.35 H new ATOM 0 HA ARG A 111 4.825 -11.341 -0.767 1.00 1.34 H new ATOM 0 HB2 ARG A 111 6.249 -9.998 -2.159 1.00 20.43 H new ATOM 0 HB3 ARG A 111 4.984 -8.814 -2.423 1.00 20.43 H new ATOM 0 HG2 ARG A 111 6.843 -8.188 -0.787 1.00 13.22 H new ATOM 0 HG3 ARG A 111 5.194 -7.903 -0.267 1.00 13.22 H new ATOM 0 HD2 ARG A 111 6.696 -8.915 1.484 1.00 0.33 H new ATOM 0 HD3 ARG A 111 5.207 -9.793 1.194 1.00 0.33 H new ATOM 0 HE ARG A 111 7.117 -11.012 -0.468 1.00 44.55 H new ATOM 0 HH11 ARG A 111 6.838 -10.260 2.969 1.00 4.55 H new ATOM 0 HH12 ARG A 111 7.653 -11.739 3.488 1.00 4.55 H new ATOM 0 HH21 ARG A 111 8.114 -12.955 0.207 1.00 52.21 H new ATOM 0 HH22 ARG A 111 8.373 -13.261 1.927 1.00 52.21 H new ATOM 1883 N HIS A 112 2.173 -9.478 -1.170 1.00 22.23 N ATOM 1884 CA HIS A 112 0.991 -8.975 -0.479 1.00 14.21 C ATOM 1885 C HIS A 112 0.368 -10.082 0.363 1.00 33.22 C ATOM 1886 O HIS A 112 -0.031 -9.857 1.501 1.00 23.14 O ATOM 1887 CB HIS A 112 -0.034 -8.449 -1.492 1.00 52.44 C ATOM 1888 CG HIS A 112 -1.269 -7.857 -0.879 1.00 34.01 C ATOM 1889 ND1 HIS A 112 -1.515 -6.609 -0.413 1.00 41.10 N flip ATOM 1890 CD2 HIS A 112 -2.445 -8.561 -0.720 1.00 34.54 C flip ATOM 1891 CE1 HIS A 112 -2.819 -6.585 0.012 1.00 13.40 C flip ATOM 1892 NE2 HIS A 112 -3.358 -7.772 -0.186 1.00 41.43 N flip ATOM 0 H HIS A 112 2.131 -9.402 -2.186 1.00 22.23 H new ATOM 0 HA HIS A 112 1.291 -8.156 0.175 1.00 14.21 H new ATOM 0 HB2 HIS A 112 0.445 -7.693 -2.115 1.00 52.44 H new ATOM 0 HB3 HIS A 112 -0.327 -9.266 -2.151 1.00 52.44 H new ATOM 0 HD1 HIS A 112 -0.854 -5.833 -0.384 1.00 41.10 H new ATOM 0 HD2 HIS A 112 -2.595 -9.596 -0.990 1.00 34.54 H new ATOM 0 HE1 HIS A 112 -3.323 -5.731 0.440 1.00 13.40 H new ATOM 1901 N CYS A 113 0.303 -11.276 -0.207 1.00 40.13 N ATOM 1902 CA CYS A 113 -0.279 -12.424 0.471 1.00 42.14 C ATOM 1903 C CYS A 113 0.580 -12.850 1.658 1.00 4.15 C ATOM 1904 O CYS A 113 0.105 -12.918 2.793 1.00 42.54 O ATOM 1905 CB CYS A 113 -0.420 -13.587 -0.512 1.00 63.53 C ATOM 1906 SG CYS A 113 -1.256 -15.032 0.169 1.00 32.33 S ATOM 0 H CYS A 113 0.649 -11.476 -1.145 1.00 40.13 H new ATOM 0 HA CYS A 113 -1.263 -12.141 0.845 1.00 42.14 H new ATOM 0 HB2 CYS A 113 -0.969 -13.243 -1.388 1.00 63.53 H new ATOM 0 HB3 CYS A 113 0.572 -13.882 -0.853 1.00 63.53 H new ATOM 0 HG CYS A 113 -2.483 -15.065 -0.258 1.00 32.33 H new ATOM 1912 N ARG A 114 1.853 -13.111 1.387 1.00 60.43 N ATOM 1913 CA ARG A 114 2.765 -13.649 2.396 1.00 31.44 C ATOM 1914 C ARG A 114 2.998 -12.670 3.544 1.00 22.42 C ATOM 1915 O ARG A 114 3.298 -13.081 4.664 1.00 40.44 O ATOM 1916 CB ARG A 114 4.099 -14.038 1.750 1.00 31.34 C ATOM 1917 CG ARG A 114 3.985 -15.228 0.809 1.00 61.15 C ATOM 1918 CD ARG A 114 3.696 -16.512 1.572 1.00 42.14 C ATOM 1919 NE ARG A 114 3.264 -17.598 0.689 1.00 1.14 N ATOM 1920 CZ ARG A 114 4.052 -18.589 0.273 1.00 53.21 C ATOM 1921 NH1 ARG A 114 5.331 -18.623 0.626 1.00 62.14 N ATOM 1922 NH2 ARG A 114 3.549 -19.549 -0.495 1.00 13.43 N ATOM 0 H ARG A 114 2.281 -12.959 0.474 1.00 60.43 H new ATOM 0 HA ARG A 114 2.295 -14.537 2.819 1.00 31.44 H new ATOM 0 HB2 ARG A 114 4.491 -13.183 1.199 1.00 31.34 H new ATOM 0 HB3 ARG A 114 4.821 -14.270 2.533 1.00 31.34 H new ATOM 0 HG2 ARG A 114 3.191 -15.047 0.085 1.00 61.15 H new ATOM 0 HG3 ARG A 114 4.911 -15.338 0.245 1.00 61.15 H new ATOM 0 HD2 ARG A 114 4.591 -16.820 2.112 1.00 42.14 H new ATOM 0 HD3 ARG A 114 2.923 -16.323 2.317 1.00 42.14 H new ATOM 0 HE ARG A 114 2.295 -17.596 0.371 1.00 1.14 H new ATOM 0 HH11 ARG A 114 5.716 -17.888 1.219 1.00 62.14 H new ATOM 0 HH12 ARG A 114 5.929 -19.384 0.304 1.00 62.14 H new ATOM 0 HH21 ARG A 114 2.565 -19.525 -0.763 1.00 13.43 H new ATOM 0 HH22 ARG A 114 4.147 -20.310 -0.817 1.00 13.43 H new ATOM 1936 N LEU A 115 2.861 -11.380 3.274 1.00 32.11 N ATOM 1937 CA LEU A 115 3.086 -10.375 4.303 1.00 30.44 C ATOM 1938 C LEU A 115 1.812 -10.111 5.101 1.00 74.54 C ATOM 1939 O LEU A 115 1.838 -10.089 6.329 1.00 63.33 O ATOM 1940 CB LEU A 115 3.592 -9.071 3.683 1.00 42.04 C ATOM 1941 CG LEU A 115 4.124 -8.046 4.686 1.00 55.21 C ATOM 1942 CD1 LEU A 115 5.365 -8.579 5.384 1.00 71.04 C ATOM 1943 CD2 LEU A 115 4.424 -6.727 3.991 1.00 2.43 C ATOM 0 H LEU A 115 2.598 -11.007 2.362 1.00 32.11 H new ATOM 0 HA LEU A 115 3.846 -10.761 4.983 1.00 30.44 H new ATOM 0 HB2 LEU A 115 4.384 -9.307 2.972 1.00 42.04 H new ATOM 0 HB3 LEU A 115 2.780 -8.616 3.116 1.00 42.04 H new ATOM 0 HG LEU A 115 3.357 -7.869 5.440 1.00 55.21 H new ATOM 0 HD11 LEU A 115 5.730 -7.837 6.094 1.00 71.04 H new ATOM 0 HD12 LEU A 115 5.117 -9.498 5.915 1.00 71.04 H new ATOM 0 HD13 LEU A 115 6.139 -8.785 4.644 1.00 71.04 H new ATOM 0 HD21 LEU A 115 4.801 -6.009 4.720 1.00 2.43 H new ATOM 0 HD22 LEU A 115 5.174 -6.886 3.216 1.00 2.43 H new ATOM 0 HD23 LEU A 115 3.512 -6.339 3.538 1.00 2.43 H new ATOM 1955 N ALA A 116 0.697 -9.933 4.401 1.00 24.43 N ATOM 1956 CA ALA A 116 -0.558 -9.563 5.048 1.00 2.11 C ATOM 1957 C ALA A 116 -1.133 -10.706 5.877 1.00 72.43 C ATOM 1958 O ALA A 116 -1.772 -10.473 6.901 1.00 21.54 O ATOM 1959 CB ALA A 116 -1.577 -9.101 4.017 1.00 50.22 C ATOM 0 H ALA A 116 0.636 -10.038 3.388 1.00 24.43 H new ATOM 0 HA ALA A 116 -0.338 -8.740 5.727 1.00 2.11 H new ATOM 0 HB1 ALA A 116 -2.506 -8.830 4.519 1.00 50.22 H new ATOM 0 HB2 ALA A 116 -1.187 -8.235 3.483 1.00 50.22 H new ATOM 0 HB3 ALA A 116 -1.770 -9.907 3.309 1.00 50.22 H new ATOM 1965 N ARG A 117 -0.922 -11.940 5.435 1.00 43.34 N ATOM 1966 CA ARG A 117 -1.445 -13.092 6.162 1.00 62.34 C ATOM 1967 C ARG A 117 -0.393 -13.666 7.102 1.00 74.55 C ATOM 1968 O ARG A 117 -0.641 -14.664 7.783 1.00 10.41 O ATOM 1969 CB ARG A 117 -1.910 -14.196 5.209 1.00 73.34 C ATOM 1970 CG ARG A 117 -2.906 -13.752 4.146 1.00 60.52 C ATOM 1971 CD ARG A 117 -3.609 -14.954 3.534 1.00 22.43 C ATOM 1972 NE ARG A 117 -4.095 -14.698 2.178 1.00 0.42 N ATOM 1973 CZ ARG A 117 -5.291 -15.083 1.728 1.00 35.33 C ATOM 1974 NH1 ARG A 117 -6.205 -15.568 2.561 1.00 62.34 N ATOM 1975 NH2 ARG A 117 -5.586 -14.947 0.445 1.00 44.31 N ATOM 0 H ARG A 117 -0.400 -12.168 4.589 1.00 43.34 H new ATOM 0 HA ARG A 117 -2.299 -12.738 6.739 1.00 62.34 H new ATOM 0 HB2 ARG A 117 -1.036 -14.618 4.713 1.00 73.34 H new ATOM 0 HB3 ARG A 117 -2.361 -14.996 5.796 1.00 73.34 H new ATOM 0 HG2 ARG A 117 -3.642 -13.080 4.588 1.00 60.52 H new ATOM 0 HG3 ARG A 117 -2.389 -13.191 3.367 1.00 60.52 H new ATOM 0 HD2 ARG A 117 -2.922 -15.800 3.515 1.00 22.43 H new ATOM 0 HD3 ARG A 117 -4.449 -15.240 4.168 1.00 22.43 H new ATOM 0 HE ARG A 117 -3.482 -14.194 1.537 1.00 0.42 H new ATOM 0 HH11 ARG A 117 -5.996 -15.649 3.556 1.00 62.34 H new ATOM 0 HH12 ARG A 117 -7.116 -15.859 2.206 1.00 62.34 H new ATOM 0 HH21 ARG A 117 -4.900 -14.549 -0.197 1.00 44.31 H new ATOM 0 HH22 ARG A 117 -6.499 -15.240 0.098 1.00 44.31 H new