USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=14 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 34 THR OG1 : rot -26:sc= 0.936 USER MOD Set 1.2: A 90 LYS NZ :NH3+ 144:sc= 0.906 (180deg=-0.452) USER MOD Single : A 17 GLN : amide:sc= 1.43 K(o=1.4,f=-7.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.064) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 26 GLN : amide:sc= 1.08 K(o=1.1,f=-0.02) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : A 32 GLN : amide:sc= 0.108 X(o=0.11,f=-0.11) USER MOD Single : A 40 ASN : amide:sc= 0.319 K(o=0.32,f=-2) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 50 THR OG1 : rot 61:sc= 0.365 USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.019) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.5) USER MOD Single : A 60 HIS : no HE2:sc= 1.04 K(o=1,f=-5.2!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -82:sc= -1! USER MOD Single : A 72 SER OG : rot -91:sc= 0.798 USER MOD Single : A 77 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.21) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl 161:sc= -0.0109 (180deg=-0.626) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -166:sc=-0.00667 (180deg=-0.174) USER MOD Single : A 112 HIS : no HD1:sc= -0.0541 X(o=-0.054,f=-0.0063) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -5.085 4.990 10.960 1.00 63.42 N ATOM 281 CA GLN A 17 -3.897 4.155 10.879 1.00 34.43 C ATOM 282 C GLN A 17 -2.789 4.929 10.177 1.00 14.30 C ATOM 283 O GLN A 17 -1.607 4.737 10.453 1.00 74.04 O ATOM 284 CB GLN A 17 -4.199 2.855 10.127 1.00 62.14 C ATOM 285 CG GLN A 17 -5.452 2.134 10.609 1.00 22.43 C ATOM 286 CD GLN A 17 -5.425 1.804 12.092 1.00 35.33 C ATOM 287 OE1 GLN A 17 -4.951 0.742 12.496 1.00 4.01 O ATOM 288 NE2 GLN A 17 -5.956 2.701 12.913 1.00 21.10 N ATOM 0 HA GLN A 17 -3.575 3.892 11.887 1.00 34.43 H new ATOM 0 HB2 GLN A 17 -4.307 3.079 9.066 1.00 62.14 H new ATOM 0 HB3 GLN A 17 -3.346 2.184 10.226 1.00 62.14 H new ATOM 0 HG2 GLN A 17 -6.323 2.754 10.398 1.00 22.43 H new ATOM 0 HG3 GLN A 17 -5.573 1.211 10.041 1.00 22.43 H new ATOM 0 HE21 GLN A 17 -6.339 3.570 12.540 1.00 21.10 H new ATOM 0 HE22 GLN A 17 -5.981 2.522 13.917 1.00 21.10 H new ATOM 297 N PHE A 18 -3.201 5.846 9.302 1.00 62.12 N ATOM 298 CA PHE A 18 -2.280 6.701 8.556 1.00 21.03 C ATOM 299 C PHE A 18 -1.435 7.560 9.502 1.00 15.20 C ATOM 300 O PHE A 18 -0.330 7.982 9.159 1.00 61.00 O ATOM 301 CB PHE A 18 -3.075 7.590 7.590 1.00 23.23 C ATOM 302 CG PHE A 18 -2.234 8.517 6.759 1.00 11.43 C ATOM 303 CD1 PHE A 18 -1.390 8.021 5.778 1.00 43.05 C ATOM 304 CD2 PHE A 18 -2.296 9.887 6.954 1.00 32.10 C ATOM 305 CE1 PHE A 18 -0.616 8.875 5.014 1.00 30.11 C ATOM 306 CE2 PHE A 18 -1.526 10.746 6.193 1.00 74.25 C ATOM 307 CZ PHE A 18 -0.688 10.239 5.219 1.00 52.54 C ATOM 0 H PHE A 18 -4.184 6.017 9.091 1.00 62.12 H new ATOM 0 HA PHE A 18 -1.599 6.068 7.987 1.00 21.03 H new ATOM 0 HB2 PHE A 18 -3.656 6.952 6.924 1.00 23.23 H new ATOM 0 HB3 PHE A 18 -3.787 8.183 8.165 1.00 23.23 H new ATOM 0 HD1 PHE A 18 -1.336 6.956 5.608 1.00 43.05 H new ATOM 0 HD2 PHE A 18 -2.954 10.289 7.710 1.00 32.10 H new ATOM 0 HE1 PHE A 18 0.044 8.476 4.258 1.00 30.11 H new ATOM 0 HE2 PHE A 18 -1.579 11.812 6.360 1.00 74.25 H new ATOM 0 HZ PHE A 18 -0.090 10.908 4.618 1.00 52.54 H new ATOM 317 N THR A 19 -1.956 7.811 10.694 1.00 11.41 N ATOM 318 CA THR A 19 -1.237 8.589 11.690 1.00 72.11 C ATOM 319 C THR A 19 -0.150 7.747 12.358 1.00 64.22 C ATOM 320 O THR A 19 0.975 8.208 12.557 1.00 21.24 O ATOM 321 CB THR A 19 -2.202 9.142 12.760 1.00 23.33 C ATOM 322 OG1 THR A 19 -3.227 9.917 12.125 1.00 62.54 O ATOM 323 CG2 THR A 19 -1.468 10.009 13.772 1.00 63.11 C ATOM 0 H THR A 19 -2.875 7.486 10.995 1.00 11.41 H new ATOM 0 HA THR A 19 -0.766 9.427 11.177 1.00 72.11 H new ATOM 0 HB THR A 19 -2.643 8.297 13.289 1.00 23.33 H new ATOM 0 HG1 THR A 19 -3.841 10.267 12.804 1.00 62.54 H new ATOM 0 HG21 THR A 19 -2.176 10.383 14.512 1.00 63.11 H new ATOM 0 HG22 THR A 19 -0.701 9.416 14.271 1.00 63.11 H new ATOM 0 HG23 THR A 19 -1.001 10.850 13.260 1.00 63.11 H new ATOM 331 N PHE A 20 -0.476 6.498 12.665 1.00 35.02 N ATOM 332 CA PHE A 20 0.446 5.633 13.390 1.00 3.23 C ATOM 333 C PHE A 20 1.450 4.987 12.438 1.00 34.42 C ATOM 334 O PHE A 20 2.568 4.658 12.834 1.00 61.11 O ATOM 335 CB PHE A 20 -0.319 4.553 14.163 1.00 4.33 C ATOM 336 CG PHE A 20 0.498 3.902 15.248 1.00 70.00 C ATOM 337 CD1 PHE A 20 1.291 2.796 14.979 1.00 41.34 C ATOM 338 CD2 PHE A 20 0.479 4.408 16.538 1.00 31.12 C ATOM 339 CE1 PHE A 20 2.049 2.210 15.977 1.00 5.31 C ATOM 340 CE2 PHE A 20 1.234 3.827 17.538 1.00 1.10 C ATOM 341 CZ PHE A 20 2.019 2.726 17.257 1.00 23.34 C ATOM 0 H PHE A 20 -1.367 6.063 12.425 1.00 35.02 H new ATOM 0 HA PHE A 20 0.994 6.250 14.102 1.00 3.23 H new ATOM 0 HB2 PHE A 20 -1.210 4.997 14.606 1.00 4.33 H new ATOM 0 HB3 PHE A 20 -0.657 3.788 13.465 1.00 4.33 H new ATOM 0 HD1 PHE A 20 1.317 2.388 13.979 1.00 41.34 H new ATOM 0 HD2 PHE A 20 -0.134 5.268 16.764 1.00 31.12 H new ATOM 0 HE1 PHE A 20 2.663 1.350 15.755 1.00 5.31 H new ATOM 0 HE2 PHE A 20 1.211 4.233 18.538 1.00 1.10 H new ATOM 0 HZ PHE A 20 2.609 2.269 18.038 1.00 23.34 H new ATOM 351 N VAL A 21 1.060 4.815 11.180 1.00 0.11 N ATOM 352 CA VAL A 21 1.952 4.227 10.186 1.00 13.30 C ATOM 353 C VAL A 21 3.126 5.170 9.898 1.00 21.20 C ATOM 354 O VAL A 21 4.138 4.769 9.332 1.00 42.32 O ATOM 355 CB VAL A 21 1.205 3.879 8.874 1.00 32.23 C ATOM 356 CG1 VAL A 21 0.851 5.128 8.079 1.00 52.04 C ATOM 357 CG2 VAL A 21 2.022 2.914 8.029 1.00 54.23 C ATOM 0 H VAL A 21 0.139 5.072 10.825 1.00 0.11 H new ATOM 0 HA VAL A 21 2.337 3.295 10.601 1.00 13.30 H new ATOM 0 HB VAL A 21 0.270 3.391 9.149 1.00 32.23 H new ATOM 0 HG11 VAL A 21 0.328 4.842 7.166 1.00 52.04 H new ATOM 0 HG12 VAL A 21 0.208 5.771 8.679 1.00 52.04 H new ATOM 0 HG13 VAL A 21 1.763 5.666 7.821 1.00 52.04 H new ATOM 0 HG21 VAL A 21 1.479 2.683 7.113 1.00 54.23 H new ATOM 0 HG22 VAL A 21 2.979 3.371 7.778 1.00 54.23 H new ATOM 0 HG23 VAL A 21 2.194 1.995 8.590 1.00 54.23 H new ATOM 367 N PHE A 22 2.983 6.423 10.313 1.00 72.41 N ATOM 368 CA PHE A 22 4.055 7.400 10.172 1.00 40.21 C ATOM 369 C PHE A 22 5.071 7.224 11.301 1.00 54.43 C ATOM 370 O PHE A 22 6.230 7.623 11.184 1.00 41.31 O ATOM 371 CB PHE A 22 3.479 8.822 10.175 1.00 1.25 C ATOM 372 CG PHE A 22 4.485 9.889 9.846 1.00 4.41 C ATOM 373 CD1 PHE A 22 4.894 10.094 8.537 1.00 11.10 C ATOM 374 CD2 PHE A 22 5.024 10.686 10.844 1.00 20.31 C ATOM 375 CE1 PHE A 22 5.821 11.073 8.229 1.00 74.03 C ATOM 376 CE2 PHE A 22 5.951 11.666 10.542 1.00 32.40 C ATOM 377 CZ PHE A 22 6.349 11.860 9.234 1.00 52.32 C ATOM 0 H PHE A 22 2.136 6.786 10.750 1.00 72.41 H new ATOM 0 HA PHE A 22 4.562 7.239 9.221 1.00 40.21 H new ATOM 0 HB2 PHE A 22 2.662 8.873 9.456 1.00 1.25 H new ATOM 0 HB3 PHE A 22 3.053 9.029 11.157 1.00 1.25 H new ATOM 0 HD1 PHE A 22 4.483 9.481 7.748 1.00 11.10 H new ATOM 0 HD2 PHE A 22 4.716 10.540 11.869 1.00 20.31 H new ATOM 0 HE1 PHE A 22 6.131 11.222 7.205 1.00 74.03 H new ATOM 0 HE2 PHE A 22 6.364 12.280 11.329 1.00 32.40 H new ATOM 0 HZ PHE A 22 7.072 12.626 8.997 1.00 52.32 H new ATOM 387 N GLN A 23 4.626 6.611 12.392 1.00 4.43 N ATOM 388 CA GLN A 23 5.495 6.337 13.531 1.00 24.53 C ATOM 389 C GLN A 23 6.443 5.192 13.207 1.00 21.21 C ATOM 390 O GLN A 23 7.658 5.323 13.335 1.00 72.13 O ATOM 391 CB GLN A 23 4.663 5.991 14.770 1.00 23.13 C ATOM 392 CG GLN A 23 3.875 7.164 15.332 1.00 20.30 C ATOM 393 CD GLN A 23 4.769 8.231 15.928 1.00 40.10 C ATOM 394 OE1 GLN A 23 5.098 8.189 17.113 1.00 1.22 O ATOM 395 NE2 GLN A 23 5.173 9.190 15.112 1.00 54.50 N ATOM 0 H GLN A 23 3.664 6.293 12.512 1.00 4.43 H new ATOM 0 HA GLN A 23 6.079 7.233 13.741 1.00 24.53 H new ATOM 0 HB2 GLN A 23 3.970 5.188 14.517 1.00 23.13 H new ATOM 0 HB3 GLN A 23 5.326 5.607 15.545 1.00 23.13 H new ATOM 0 HG2 GLN A 23 3.269 7.603 14.540 1.00 20.30 H new ATOM 0 HG3 GLN A 23 3.187 6.803 16.096 1.00 20.30 H new ATOM 0 HE21 GLN A 23 4.877 9.187 14.136 1.00 54.50 H new ATOM 0 HE22 GLN A 23 5.781 9.932 15.459 1.00 54.50 H new ATOM 404 N GLN A 24 5.875 4.076 12.775 1.00 13.55 N ATOM 405 CA GLN A 24 6.666 2.916 12.400 1.00 1.12 C ATOM 406 C GLN A 24 5.977 2.162 11.267 1.00 64.45 C ATOM 407 O GLN A 24 5.081 1.344 11.500 1.00 3.11 O ATOM 408 CB GLN A 24 6.880 1.997 13.605 1.00 51.24 C ATOM 409 CG GLN A 24 7.833 0.853 13.323 1.00 2.52 C ATOM 410 CD GLN A 24 8.070 -0.026 14.532 1.00 73.04 C ATOM 411 OE1 GLN A 24 7.194 -0.189 15.384 1.00 55.41 O ATOM 412 NE2 GLN A 24 9.258 -0.600 14.617 1.00 1.42 N ATOM 0 H GLN A 24 4.868 3.950 12.676 1.00 13.55 H new ATOM 0 HA GLN A 24 7.643 3.254 12.055 1.00 1.12 H new ATOM 0 HB2 GLN A 24 7.265 2.585 14.438 1.00 51.24 H new ATOM 0 HB3 GLN A 24 5.918 1.591 13.919 1.00 51.24 H new ATOM 0 HG2 GLN A 24 7.434 0.246 12.511 1.00 2.52 H new ATOM 0 HG3 GLN A 24 8.786 1.256 12.981 1.00 2.52 H new ATOM 0 HE21 GLN A 24 9.955 -0.439 13.890 1.00 1.42 H new ATOM 0 HE22 GLN A 24 9.477 -1.204 15.409 1.00 1.42 H new ATOM 421 N PRO A 25 6.366 2.455 10.020 1.00 3.43 N ATOM 422 CA PRO A 25 5.748 1.866 8.836 1.00 53.31 C ATOM 423 C PRO A 25 6.354 0.526 8.440 1.00 24.53 C ATOM 424 O PRO A 25 7.474 0.190 8.836 1.00 1.12 O ATOM 425 CB PRO A 25 6.041 2.905 7.760 1.00 32.20 C ATOM 426 CG PRO A 25 7.353 3.499 8.154 1.00 13.30 C ATOM 427 CD PRO A 25 7.441 3.401 9.660 1.00 45.43 C ATOM 0 HA PRO A 25 4.691 1.652 8.997 1.00 53.31 H new ATOM 0 HB2 PRO A 25 6.094 2.448 6.772 1.00 32.20 H new ATOM 0 HB3 PRO A 25 5.259 3.664 7.719 1.00 32.20 H new ATOM 0 HG2 PRO A 25 8.177 2.963 7.683 1.00 13.30 H new ATOM 0 HG3 PRO A 25 7.421 4.537 7.829 1.00 13.30 H new ATOM 0 HD2 PRO A 25 8.417 3.036 9.980 1.00 45.43 H new ATOM 0 HD3 PRO A 25 7.293 4.372 10.132 1.00 45.43 H new ATOM 435 N GLN A 26 5.602 -0.240 7.663 1.00 5.11 N ATOM 436 CA GLN A 26 6.117 -1.459 7.068 1.00 4.21 C ATOM 437 C GLN A 26 6.511 -1.165 5.629 1.00 25.20 C ATOM 438 O GLN A 26 5.830 -0.408 4.943 1.00 31.35 O ATOM 439 CB GLN A 26 5.071 -2.574 7.117 1.00 34.15 C ATOM 440 CG GLN A 26 4.549 -2.864 8.516 1.00 72.34 C ATOM 441 CD GLN A 26 3.612 -4.057 8.556 1.00 31.24 C ATOM 442 OE1 GLN A 26 4.040 -5.187 8.765 1.00 44.13 O ATOM 443 NE2 GLN A 26 2.329 -3.815 8.347 1.00 65.42 N ATOM 0 H GLN A 26 4.630 -0.036 7.431 1.00 5.11 H new ATOM 0 HA GLN A 26 6.987 -1.799 7.630 1.00 4.21 H new ATOM 0 HB2 GLN A 26 4.233 -2.302 6.476 1.00 34.15 H new ATOM 0 HB3 GLN A 26 5.505 -3.485 6.705 1.00 34.15 H new ATOM 0 HG2 GLN A 26 5.391 -3.046 9.183 1.00 72.34 H new ATOM 0 HG3 GLN A 26 4.027 -1.985 8.894 1.00 72.34 H new ATOM 0 HE21 GLN A 26 2.011 -2.861 8.177 1.00 65.42 H new ATOM 0 HE22 GLN A 26 1.657 -4.582 8.356 1.00 65.42 H new ATOM 452 N ARG A 27 7.613 -1.737 5.175 1.00 31.51 N ATOM 453 CA ARG A 27 8.116 -1.434 3.847 1.00 13.52 C ATOM 454 C ARG A 27 7.815 -2.582 2.891 1.00 22.45 C ATOM 455 O ARG A 27 8.465 -3.625 2.933 1.00 73.33 O ATOM 456 CB ARG A 27 9.624 -1.159 3.900 1.00 70.13 C ATOM 457 CG ARG A 27 10.107 -0.122 2.893 1.00 33.42 C ATOM 458 CD ARG A 27 9.873 -0.555 1.455 1.00 50.44 C ATOM 459 NE ARG A 27 10.550 -1.815 1.143 1.00 53.12 N ATOM 460 CZ ARG A 27 10.363 -2.503 0.015 1.00 1.13 C ATOM 461 NH1 ARG A 27 9.532 -2.046 -0.912 1.00 4.45 N ATOM 462 NH2 ARG A 27 11.002 -3.649 -0.180 1.00 21.53 N ATOM 0 H ARG A 27 8.172 -2.408 5.701 1.00 31.51 H new ATOM 0 HA ARG A 27 7.614 -0.539 3.479 1.00 13.52 H new ATOM 0 HB2 ARG A 27 9.885 -0.823 4.904 1.00 70.13 H new ATOM 0 HB3 ARG A 27 10.158 -2.093 3.727 1.00 70.13 H new ATOM 0 HG2 ARG A 27 9.593 0.822 3.073 1.00 33.42 H new ATOM 0 HG3 ARG A 27 11.171 0.060 3.046 1.00 33.42 H new ATOM 0 HD2 ARG A 27 8.803 -0.666 1.280 1.00 50.44 H new ATOM 0 HD3 ARG A 27 10.228 0.224 0.780 1.00 50.44 H new ATOM 0 HE ARG A 27 11.205 -2.190 1.830 1.00 53.12 H new ATOM 0 HH11 ARG A 27 9.035 -1.168 -0.763 1.00 4.45 H new ATOM 0 HH12 ARG A 27 9.390 -2.573 -1.774 1.00 4.45 H new ATOM 0 HH21 ARG A 27 11.638 -4.006 0.533 1.00 21.53 H new ATOM 0 HH22 ARG A 27 10.857 -4.173 -1.043 1.00 21.53 H new ATOM 476 N ALA A 28 6.809 -2.388 2.050 1.00 23.32 N ATOM 477 CA ALA A 28 6.460 -3.367 1.035 1.00 71.51 C ATOM 478 C ALA A 28 6.380 -2.708 -0.337 1.00 32.31 C ATOM 479 O ALA A 28 6.425 -1.480 -0.451 1.00 15.15 O ATOM 480 CB ALA A 28 5.139 -4.044 1.384 1.00 1.24 C ATOM 0 H ALA A 28 6.218 -1.556 2.052 1.00 23.32 H new ATOM 0 HA ALA A 28 7.240 -4.128 1.004 1.00 71.51 H new ATOM 0 HB1 ALA A 28 4.890 -4.775 0.615 1.00 1.24 H new ATOM 0 HB2 ALA A 28 5.231 -4.547 2.346 1.00 1.24 H new ATOM 0 HB3 ALA A 28 4.350 -3.294 1.441 1.00 1.24 H new ATOM 486 N GLY A 29 6.285 -3.525 -1.374 1.00 50.23 N ATOM 487 CA GLY A 29 6.171 -3.006 -2.720 1.00 41.54 C ATOM 488 C GLY A 29 7.521 -2.747 -3.352 1.00 63.43 C ATOM 489 O GLY A 29 8.486 -3.469 -3.090 1.00 41.40 O ATOM 0 H GLY A 29 6.285 -4.543 -1.307 1.00 50.23 H new ATOM 0 HA2 GLY A 29 5.615 -3.714 -3.334 1.00 41.54 H new ATOM 0 HA3 GLY A 29 5.597 -2.080 -2.702 1.00 41.54 H new ATOM 493 N THR A 30 7.598 -1.708 -4.162 1.00 73.43 N ATOM 494 CA THR A 30 8.818 -1.379 -4.883 1.00 21.25 C ATOM 495 C THR A 30 9.259 0.048 -4.558 1.00 34.12 C ATOM 496 O THR A 30 8.515 0.793 -3.915 1.00 15.44 O ATOM 497 CB THR A 30 8.603 -1.517 -6.409 1.00 75.21 C ATOM 498 OG1 THR A 30 7.506 -0.698 -6.825 1.00 12.33 O ATOM 499 CG2 THR A 30 8.328 -2.963 -6.797 1.00 43.53 C ATOM 0 H THR A 30 6.822 -1.070 -4.340 1.00 73.43 H new ATOM 0 HA THR A 30 9.595 -2.076 -4.569 1.00 21.25 H new ATOM 0 HB THR A 30 9.516 -1.191 -6.907 1.00 75.21 H new ATOM 0 HG1 THR A 30 7.378 -0.790 -7.792 1.00 12.33 H new ATOM 0 HG21 THR A 30 8.181 -3.029 -7.875 1.00 43.53 H new ATOM 0 HG22 THR A 30 9.175 -3.585 -6.508 1.00 43.53 H new ATOM 0 HG23 THR A 30 7.431 -3.312 -6.287 1.00 43.53 H new ATOM 507 N PRO A 31 10.481 0.445 -4.969 1.00 1.23 N ATOM 508 CA PRO A 31 10.942 1.836 -4.847 1.00 62.12 C ATOM 509 C PRO A 31 10.052 2.813 -5.619 1.00 13.51 C ATOM 510 O PRO A 31 10.126 4.021 -5.421 1.00 41.35 O ATOM 511 CB PRO A 31 12.358 1.811 -5.444 1.00 55.34 C ATOM 512 CG PRO A 31 12.433 0.545 -6.228 1.00 72.41 C ATOM 513 CD PRO A 31 11.533 -0.426 -5.525 1.00 1.51 C ATOM 0 HA PRO A 31 10.914 2.179 -3.813 1.00 62.12 H new ATOM 0 HB2 PRO A 31 12.532 2.679 -6.081 1.00 55.34 H new ATOM 0 HB3 PRO A 31 13.115 1.834 -4.661 1.00 55.34 H new ATOM 0 HG2 PRO A 31 12.110 0.703 -7.257 1.00 72.41 H new ATOM 0 HG3 PRO A 31 13.456 0.171 -6.269 1.00 72.41 H new ATOM 0 HD2 PRO A 31 11.123 -1.167 -6.211 1.00 1.51 H new ATOM 0 HD3 PRO A 31 12.060 -0.973 -4.743 1.00 1.51 H new ATOM 521 N GLN A 32 9.213 2.274 -6.500 1.00 44.01 N ATOM 522 CA GLN A 32 8.266 3.082 -7.260 1.00 72.13 C ATOM 523 C GLN A 32 6.919 3.146 -6.547 1.00 24.04 C ATOM 524 O GLN A 32 6.397 4.228 -6.291 1.00 33.03 O ATOM 525 CB GLN A 32 8.095 2.518 -8.674 1.00 64.23 C ATOM 526 CG GLN A 32 9.075 3.086 -9.695 1.00 42.11 C ATOM 527 CD GLN A 32 10.513 3.092 -9.208 1.00 23.02 C ATOM 528 OE1 GLN A 32 11.245 2.114 -9.375 1.00 51.33 O ATOM 529 NE2 GLN A 32 10.936 4.210 -8.637 1.00 5.51 N ATOM 0 H GLN A 32 9.171 1.276 -6.705 1.00 44.01 H new ATOM 0 HA GLN A 32 8.663 4.094 -7.335 1.00 72.13 H new ATOM 0 HB2 GLN A 32 8.212 1.435 -8.638 1.00 64.23 H new ATOM 0 HB3 GLN A 32 7.078 2.718 -9.012 1.00 64.23 H new ATOM 0 HG2 GLN A 32 9.012 2.502 -10.613 1.00 42.11 H new ATOM 0 HG3 GLN A 32 8.779 4.105 -9.945 1.00 42.11 H new ATOM 0 HE21 GLN A 32 10.296 4.996 -8.518 1.00 5.51 H new ATOM 0 HE22 GLN A 32 11.901 4.285 -8.316 1.00 5.51 H new ATOM 538 N ILE A 33 6.359 1.991 -6.223 1.00 64.53 N ATOM 539 CA ILE A 33 5.115 1.945 -5.470 1.00 34.21 C ATOM 540 C ILE A 33 5.366 1.363 -4.080 1.00 65.22 C ATOM 541 O ILE A 33 5.506 0.148 -3.904 1.00 51.05 O ATOM 542 CB ILE A 33 4.001 1.157 -6.213 1.00 41.02 C ATOM 543 CG1 ILE A 33 2.755 1.025 -5.328 1.00 41.10 C ATOM 544 CG2 ILE A 33 4.491 -0.215 -6.663 1.00 44.34 C ATOM 545 CD1 ILE A 33 1.594 0.324 -6.005 1.00 30.13 C ATOM 0 H ILE A 33 6.743 1.078 -6.468 1.00 64.53 H new ATOM 0 HA ILE A 33 4.754 2.968 -5.367 1.00 34.21 H new ATOM 0 HB ILE A 33 3.735 1.720 -7.107 1.00 41.02 H new ATOM 0 HG12 ILE A 33 3.020 0.478 -4.423 1.00 41.10 H new ATOM 0 HG13 ILE A 33 2.435 2.019 -5.017 1.00 41.10 H new ATOM 0 HG21 ILE A 33 3.686 -0.738 -7.179 1.00 44.34 H new ATOM 0 HG22 ILE A 33 5.338 -0.095 -7.339 1.00 44.34 H new ATOM 0 HG23 ILE A 33 4.801 -0.794 -5.793 1.00 44.34 H new ATOM 0 HD11 ILE A 33 0.751 0.269 -5.317 1.00 30.13 H new ATOM 0 HD12 ILE A 33 1.301 0.882 -6.894 1.00 30.13 H new ATOM 0 HD13 ILE A 33 1.895 -0.684 -6.292 1.00 30.13 H new ATOM 557 N THR A 34 5.465 2.246 -3.100 1.00 70.05 N ATOM 558 CA THR A 34 5.782 1.846 -1.743 1.00 62.04 C ATOM 559 C THR A 34 4.513 1.641 -0.917 1.00 45.21 C ATOM 560 O THR A 34 3.720 2.566 -0.734 1.00 34.13 O ATOM 561 CB THR A 34 6.683 2.895 -1.066 1.00 1.23 C ATOM 562 OG1 THR A 34 7.793 3.205 -1.929 1.00 62.51 O ATOM 563 CG2 THR A 34 7.202 2.388 0.273 1.00 30.33 C ATOM 0 H THR A 34 5.329 3.249 -3.222 1.00 70.05 H new ATOM 0 HA THR A 34 6.317 0.898 -1.794 1.00 62.04 H new ATOM 0 HB THR A 34 6.091 3.793 -0.886 1.00 1.23 H new ATOM 0 HG1 THR A 34 7.976 2.440 -2.514 1.00 62.51 H new ATOM 0 HG21 THR A 34 7.836 3.149 0.729 1.00 30.33 H new ATOM 0 HG22 THR A 34 6.361 2.174 0.932 1.00 30.33 H new ATOM 0 HG23 THR A 34 7.782 1.478 0.118 1.00 30.33 H new ATOM 571 N ILE A 35 4.332 0.421 -0.435 1.00 44.55 N ATOM 572 CA ILE A 35 3.168 0.068 0.364 1.00 25.22 C ATOM 573 C ILE A 35 3.550 0.023 1.837 1.00 14.45 C ATOM 574 O ILE A 35 4.570 -0.569 2.193 1.00 43.41 O ATOM 575 CB ILE A 35 2.601 -1.309 -0.052 1.00 21.11 C ATOM 576 CG1 ILE A 35 2.384 -1.360 -1.567 1.00 22.11 C ATOM 577 CG2 ILE A 35 1.300 -1.597 0.686 1.00 30.01 C ATOM 578 CD1 ILE A 35 2.014 -2.735 -2.083 1.00 21.43 C ATOM 0 H ILE A 35 4.984 -0.349 -0.585 1.00 44.55 H new ATOM 0 HA ILE A 35 2.403 0.826 0.197 1.00 25.22 H new ATOM 0 HB ILE A 35 3.325 -2.078 0.219 1.00 21.11 H new ATOM 0 HG12 ILE A 35 1.596 -0.656 -1.836 1.00 22.11 H new ATOM 0 HG13 ILE A 35 3.293 -1.027 -2.067 1.00 22.11 H new ATOM 0 HG21 ILE A 35 0.916 -2.570 0.380 1.00 30.01 H new ATOM 0 HG22 ILE A 35 1.484 -1.601 1.760 1.00 30.01 H new ATOM 0 HG23 ILE A 35 0.567 -0.826 0.446 1.00 30.01 H new ATOM 0 HD11 ILE A 35 1.876 -2.693 -3.163 1.00 21.43 H new ATOM 0 HD12 ILE A 35 2.811 -3.439 -1.846 1.00 21.43 H new ATOM 0 HD13 ILE A 35 1.088 -3.063 -1.612 1.00 21.43 H new ATOM 590 N LEU A 36 2.750 0.659 2.684 1.00 34.10 N ATOM 591 CA LEU A 36 3.029 0.681 4.115 1.00 55.52 C ATOM 592 C LEU A 36 2.115 -0.288 4.869 1.00 73.04 C ATOM 593 O LEU A 36 2.393 -1.487 4.937 1.00 63.11 O ATOM 594 CB LEU A 36 2.885 2.104 4.668 1.00 42.21 C ATOM 595 CG LEU A 36 3.761 3.165 3.993 1.00 2.13 C ATOM 596 CD1 LEU A 36 3.549 4.523 4.643 1.00 61.24 C ATOM 597 CD2 LEU A 36 5.230 2.770 4.049 1.00 44.53 C ATOM 0 H LEU A 36 1.908 1.164 2.407 1.00 34.10 H new ATOM 0 HA LEU A 36 4.058 0.355 4.265 1.00 55.52 H new ATOM 0 HB2 LEU A 36 1.842 2.407 4.576 1.00 42.21 H new ATOM 0 HB3 LEU A 36 3.120 2.087 5.732 1.00 42.21 H new ATOM 0 HG LEU A 36 3.467 3.233 2.946 1.00 2.13 H new ATOM 0 HD11 LEU A 36 4.179 5.264 4.151 1.00 61.24 H new ATOM 0 HD12 LEU A 36 2.503 4.814 4.546 1.00 61.24 H new ATOM 0 HD13 LEU A 36 3.813 4.466 5.699 1.00 61.24 H new ATOM 0 HD21 LEU A 36 5.832 3.538 3.564 1.00 44.53 H new ATOM 0 HD22 LEU A 36 5.540 2.669 5.089 1.00 44.53 H new ATOM 0 HD23 LEU A 36 5.371 1.820 3.534 1.00 44.53 H new ATOM 609 N GLY A 37 1.021 0.227 5.422 1.00 23.23 N ATOM 610 CA GLY A 37 0.064 -0.619 6.110 1.00 33.01 C ATOM 611 C GLY A 37 0.370 -0.783 7.589 1.00 1.04 C ATOM 612 O GLY A 37 1.458 -1.227 7.963 1.00 32.21 O ATOM 0 H GLY A 37 0.780 1.218 5.405 1.00 23.23 H new ATOM 0 HA2 GLY A 37 -0.934 -0.196 5.996 1.00 33.01 H new ATOM 0 HA3 GLY A 37 0.050 -1.601 5.637 1.00 33.01 H new ATOM 616 N ARG A 38 -0.584 -0.406 8.430 1.00 24.22 N ATOM 617 CA ARG A 38 -0.474 -0.602 9.867 1.00 2.15 C ATOM 618 C ARG A 38 -1.798 -1.068 10.458 1.00 14.25 C ATOM 619 O ARG A 38 -2.700 -0.269 10.704 1.00 45.42 O ATOM 620 CB ARG A 38 -0.023 0.684 10.563 1.00 74.43 C ATOM 621 CG ARG A 38 1.445 0.682 10.950 1.00 51.53 C ATOM 622 CD ARG A 38 1.741 -0.407 11.968 1.00 54.35 C ATOM 623 NE ARG A 38 3.154 -0.443 12.340 1.00 14.01 N ATOM 624 CZ ARG A 38 3.661 -1.266 13.256 1.00 10.21 C ATOM 625 NH1 ARG A 38 2.867 -2.092 13.928 1.00 3.52 N ATOM 626 NH2 ARG A 38 4.964 -1.255 13.506 1.00 35.01 N ATOM 0 H ARG A 38 -1.452 0.042 8.136 1.00 24.22 H new ATOM 0 HA ARG A 38 0.277 -1.374 10.034 1.00 2.15 H new ATOM 0 HB2 ARG A 38 -0.215 1.531 9.904 1.00 74.43 H new ATOM 0 HB3 ARG A 38 -0.626 0.833 11.459 1.00 74.43 H new ATOM 0 HG2 ARG A 38 2.058 0.530 10.062 1.00 51.53 H new ATOM 0 HG3 ARG A 38 1.717 1.654 11.363 1.00 51.53 H new ATOM 0 HD2 ARG A 38 1.136 -0.243 12.860 1.00 54.35 H new ATOM 0 HD3 ARG A 38 1.450 -1.374 11.558 1.00 54.35 H new ATOM 0 HE ARG A 38 3.790 0.201 11.870 1.00 14.01 H new ATOM 0 HH11 ARG A 38 1.864 -2.098 13.743 1.00 3.52 H new ATOM 0 HH12 ARG A 38 3.260 -2.720 14.629 1.00 3.52 H new ATOM 0 HH21 ARG A 38 5.576 -0.617 12.997 1.00 35.01 H new ATOM 0 HH22 ARG A 38 5.354 -1.885 14.207 1.00 35.01 H new ATOM 640 N LEU A 39 -1.916 -2.369 10.676 1.00 11.23 N ATOM 641 CA LEU A 39 -3.110 -2.929 11.287 1.00 35.51 C ATOM 642 C LEU A 39 -3.040 -2.808 12.806 1.00 20.24 C ATOM 643 O LEU A 39 -2.533 -3.699 13.491 1.00 13.44 O ATOM 644 CB LEU A 39 -3.296 -4.397 10.881 1.00 53.11 C ATOM 645 CG LEU A 39 -4.537 -5.081 11.464 1.00 64.05 C ATOM 646 CD1 LEU A 39 -5.805 -4.374 11.010 1.00 51.54 C ATOM 647 CD2 LEU A 39 -4.574 -6.549 11.065 1.00 42.02 C ATOM 0 H LEU A 39 -1.200 -3.056 10.439 1.00 11.23 H new ATOM 0 HA LEU A 39 -3.969 -2.362 10.929 1.00 35.51 H new ATOM 0 HB2 LEU A 39 -3.346 -4.453 9.794 1.00 53.11 H new ATOM 0 HB3 LEU A 39 -2.413 -4.957 11.189 1.00 53.11 H new ATOM 0 HG LEU A 39 -4.482 -5.019 12.551 1.00 64.05 H new ATOM 0 HD11 LEU A 39 -6.674 -4.876 11.436 1.00 51.54 H new ATOM 0 HD12 LEU A 39 -5.784 -3.337 11.347 1.00 51.54 H new ATOM 0 HD13 LEU A 39 -5.867 -4.401 9.922 1.00 51.54 H new ATOM 0 HD21 LEU A 39 -5.462 -7.019 11.488 1.00 42.02 H new ATOM 0 HD22 LEU A 39 -4.603 -6.630 9.978 1.00 42.02 H new ATOM 0 HD23 LEU A 39 -3.683 -7.051 11.443 1.00 42.02 H new ATOM 659 N ASN A 40 -3.515 -1.683 13.319 1.00 32.11 N ATOM 660 CA ASN A 40 -3.578 -1.472 14.757 1.00 44.11 C ATOM 661 C ASN A 40 -5.013 -1.572 15.245 1.00 60.41 C ATOM 662 O ASN A 40 -5.305 -2.284 16.204 1.00 21.00 O ATOM 663 CB ASN A 40 -2.999 -0.107 15.146 1.00 54.14 C ATOM 664 CG ASN A 40 -1.481 -0.076 15.152 1.00 41.45 C ATOM 665 OD1 ASN A 40 -0.818 -0.744 14.357 1.00 63.50 O ATOM 666 ND2 ASN A 40 -0.918 0.700 16.066 1.00 52.32 N ATOM 0 H ASN A 40 -3.862 -0.903 12.761 1.00 32.11 H new ATOM 0 HA ASN A 40 -2.979 -2.250 15.230 1.00 44.11 H new ATOM 0 HB2 ASN A 40 -3.368 0.647 14.451 1.00 54.14 H new ATOM 0 HB3 ASN A 40 -3.365 0.166 16.136 1.00 54.14 H new ATOM 0 HD21 ASN A 40 0.098 0.759 16.129 1.00 52.32 H new ATOM 0 HD22 ASN A 40 -1.501 1.238 16.707 1.00 52.32 H new ATOM 673 N SER A 41 -5.909 -0.859 14.578 1.00 33.12 N ATOM 674 CA SER A 41 -7.312 -0.865 14.953 1.00 62.31 C ATOM 675 C SER A 41 -8.166 -0.266 13.838 1.00 41.33 C ATOM 676 O SER A 41 -8.357 0.950 13.774 1.00 61.43 O ATOM 677 CB SER A 41 -7.512 -0.081 16.258 1.00 11.40 C ATOM 678 OG SER A 41 -8.823 -0.256 16.771 1.00 45.41 O ATOM 0 H SER A 41 -5.688 -0.270 13.775 1.00 33.12 H new ATOM 0 HA SER A 41 -7.627 -1.897 15.111 1.00 62.31 H new ATOM 0 HB2 SER A 41 -6.783 -0.411 16.998 1.00 11.40 H new ATOM 0 HB3 SER A 41 -7.328 0.978 16.080 1.00 11.40 H new ATOM 0 HG SER A 41 -8.920 0.254 17.602 1.00 45.41 H new ATOM 684 N LEU A 42 -8.655 -1.127 12.947 1.00 41.45 N ATOM 685 CA LEU A 42 -9.533 -0.699 11.863 1.00 4.32 C ATOM 686 C LEU A 42 -10.122 -1.913 11.151 1.00 15.24 C ATOM 687 O LEU A 42 -11.326 -2.153 11.205 1.00 75.20 O ATOM 688 CB LEU A 42 -8.780 0.185 10.860 1.00 74.32 C ATOM 689 CG LEU A 42 -9.641 0.768 9.735 1.00 25.12 C ATOM 690 CD1 LEU A 42 -10.757 1.629 10.307 1.00 75.22 C ATOM 691 CD2 LEU A 42 -8.785 1.579 8.775 1.00 3.12 C ATOM 0 H LEU A 42 -8.456 -2.127 12.956 1.00 41.45 H new ATOM 0 HA LEU A 42 -10.343 -0.111 12.296 1.00 4.32 H new ATOM 0 HB2 LEU A 42 -8.313 1.007 11.403 1.00 74.32 H new ATOM 0 HB3 LEU A 42 -7.976 -0.401 10.415 1.00 74.32 H new ATOM 0 HG LEU A 42 -10.091 -0.058 9.184 1.00 25.12 H new ATOM 0 HD11 LEU A 42 -11.358 2.034 9.493 1.00 75.22 H new ATOM 0 HD12 LEU A 42 -11.388 1.022 10.956 1.00 75.22 H new ATOM 0 HD13 LEU A 42 -10.326 2.448 10.882 1.00 75.22 H new ATOM 0 HD21 LEU A 42 -9.413 1.986 7.982 1.00 3.12 H new ATOM 0 HD22 LEU A 42 -8.308 2.397 9.315 1.00 3.12 H new ATOM 0 HD23 LEU A 42 -8.020 0.937 8.338 1.00 3.12 H new ATOM 703 N GLY A 43 -9.260 -2.672 10.481 1.00 42.32 N ATOM 704 CA GLY A 43 -9.698 -3.876 9.798 1.00 25.52 C ATOM 705 C GLY A 43 -10.546 -3.585 8.575 1.00 10.24 C ATOM 706 O GLY A 43 -11.307 -4.439 8.122 1.00 2.43 O ATOM 0 H GLY A 43 -8.263 -2.474 10.399 1.00 42.32 H new ATOM 0 HA2 GLY A 43 -8.825 -4.456 9.499 1.00 25.52 H new ATOM 0 HA3 GLY A 43 -10.269 -4.494 10.491 1.00 25.52 H new ATOM 710 N HIS A 44 -10.417 -2.381 8.037 1.00 71.35 N ATOM 711 CA HIS A 44 -11.187 -1.989 6.866 1.00 50.24 C ATOM 712 C HIS A 44 -10.263 -1.350 5.835 1.00 22.21 C ATOM 713 O HIS A 44 -9.661 -0.307 6.097 1.00 64.11 O ATOM 714 CB HIS A 44 -12.307 -1.022 7.271 1.00 31.03 C ATOM 715 CG HIS A 44 -13.493 -1.034 6.349 1.00 12.24 C ATOM 716 ND1 HIS A 44 -13.832 0.026 5.540 1.00 25.33 N ATOM 717 CD2 HIS A 44 -14.439 -1.978 6.137 1.00 11.12 C ATOM 718 CE1 HIS A 44 -14.934 -0.262 4.874 1.00 11.04 C ATOM 719 NE2 HIS A 44 -15.327 -1.475 5.218 1.00 62.23 N ATOM 0 H HIS A 44 -9.788 -1.660 8.392 1.00 71.35 H new ATOM 0 HA HIS A 44 -11.646 -2.872 6.422 1.00 50.24 H new ATOM 0 HB2 HIS A 44 -12.641 -1.272 8.278 1.00 31.03 H new ATOM 0 HB3 HIS A 44 -11.902 -0.011 7.311 1.00 31.03 H new ATOM 0 HD2 HIS A 44 -14.487 -2.950 6.605 1.00 11.12 H new ATOM 0 HE1 HIS A 44 -15.431 0.385 4.167 1.00 11.04 H new ATOM 0 HE2 HIS A 44 -16.152 -1.957 4.861 1.00 62.23 H new ATOM 728 N PRO A 45 -10.131 -1.980 4.658 1.00 45.54 N ATOM 729 CA PRO A 45 -9.195 -1.546 3.607 1.00 61.53 C ATOM 730 C PRO A 45 -9.409 -0.103 3.146 1.00 34.34 C ATOM 731 O PRO A 45 -10.540 0.385 3.074 1.00 23.25 O ATOM 732 CB PRO A 45 -9.478 -2.515 2.454 1.00 2.13 C ATOM 733 CG PRO A 45 -10.088 -3.710 3.099 1.00 75.13 C ATOM 734 CD PRO A 45 -10.880 -3.185 4.261 1.00 43.42 C ATOM 0 HA PRO A 45 -8.168 -1.563 3.971 1.00 61.53 H new ATOM 0 HB2 PRO A 45 -10.154 -2.072 1.723 1.00 2.13 H new ATOM 0 HB3 PRO A 45 -8.562 -2.776 1.924 1.00 2.13 H new ATOM 0 HG2 PRO A 45 -10.728 -4.248 2.400 1.00 75.13 H new ATOM 0 HG3 PRO A 45 -9.321 -4.409 3.432 1.00 75.13 H new ATOM 0 HD2 PRO A 45 -11.905 -2.947 3.976 1.00 43.42 H new ATOM 0 HD3 PRO A 45 -10.935 -3.911 5.072 1.00 43.42 H new ATOM 742 N ARG A 46 -8.301 0.570 2.844 1.00 71.42 N ATOM 743 CA ARG A 46 -8.320 1.926 2.297 1.00 41.23 C ATOM 744 C ARG A 46 -7.227 2.068 1.252 1.00 44.32 C ATOM 745 O ARG A 46 -6.051 1.897 1.561 1.00 12.31 O ATOM 746 CB ARG A 46 -8.096 2.974 3.396 1.00 2.21 C ATOM 747 CG ARG A 46 -9.290 3.186 4.307 1.00 70.43 C ATOM 748 CD ARG A 46 -10.437 3.882 3.588 1.00 73.35 C ATOM 749 NE ARG A 46 -10.176 5.307 3.372 1.00 24.32 N ATOM 750 CZ ARG A 46 -11.129 6.243 3.363 1.00 23.25 C ATOM 751 NH1 ARG A 46 -12.401 5.901 3.519 1.00 73.44 N ATOM 752 NH2 ARG A 46 -10.812 7.520 3.196 1.00 43.02 N ATOM 0 H ARG A 46 -7.363 0.190 2.972 1.00 71.42 H new ATOM 0 HA ARG A 46 -9.299 2.094 1.849 1.00 41.23 H new ATOM 0 HB2 ARG A 46 -7.241 2.672 4.001 1.00 2.21 H new ATOM 0 HB3 ARG A 46 -7.837 3.924 2.929 1.00 2.21 H new ATOM 0 HG2 ARG A 46 -9.631 2.223 4.688 1.00 70.43 H new ATOM 0 HG3 ARG A 46 -8.988 3.781 5.169 1.00 70.43 H new ATOM 0 HD2 ARG A 46 -10.608 3.397 2.627 1.00 73.35 H new ATOM 0 HD3 ARG A 46 -11.351 3.767 4.171 1.00 73.35 H new ATOM 0 HE ARG A 46 -9.211 5.601 3.220 1.00 24.32 H new ATOM 0 HH11 ARG A 46 -12.654 4.921 3.646 1.00 73.44 H new ATOM 0 HH12 ARG A 46 -13.126 6.618 3.512 1.00 73.44 H new ATOM 0 HH21 ARG A 46 -9.836 7.792 3.074 1.00 43.02 H new ATOM 0 HH22 ARG A 46 -11.544 8.231 3.190 1.00 43.02 H new ATOM 766 N ILE A 47 -7.608 2.363 0.016 1.00 60.03 N ATOM 767 CA ILE A 47 -6.622 2.601 -1.028 1.00 5.52 C ATOM 768 C ILE A 47 -6.106 4.040 -0.938 1.00 22.25 C ATOM 769 O ILE A 47 -6.627 4.962 -1.568 1.00 21.34 O ATOM 770 CB ILE A 47 -7.165 2.280 -2.451 1.00 33.33 C ATOM 771 CG1 ILE A 47 -6.084 2.545 -3.506 1.00 10.14 C ATOM 772 CG2 ILE A 47 -8.438 3.063 -2.766 1.00 43.42 C ATOM 773 CD1 ILE A 47 -6.534 2.274 -4.925 1.00 31.43 C ATOM 0 H ILE A 47 -8.579 2.442 -0.285 1.00 60.03 H new ATOM 0 HA ILE A 47 -5.792 1.915 -0.862 1.00 5.52 H new ATOM 0 HB ILE A 47 -7.426 1.222 -2.475 1.00 33.33 H new ATOM 0 HG12 ILE A 47 -5.762 3.583 -3.429 1.00 10.14 H new ATOM 0 HG13 ILE A 47 -5.215 1.925 -3.286 1.00 10.14 H new ATOM 0 HG21 ILE A 47 -8.783 2.809 -3.768 1.00 43.42 H new ATOM 0 HG22 ILE A 47 -9.211 2.808 -2.041 1.00 43.42 H new ATOM 0 HG23 ILE A 47 -8.230 4.132 -2.714 1.00 43.42 H new ATOM 0 HD11 ILE A 47 -5.715 2.484 -5.613 1.00 31.43 H new ATOM 0 HD12 ILE A 47 -6.828 1.229 -5.020 1.00 31.43 H new ATOM 0 HD13 ILE A 47 -7.383 2.913 -5.166 1.00 31.43 H new ATOM 785 N GLY A 48 -5.098 4.232 -0.103 1.00 53.45 N ATOM 786 CA GLY A 48 -4.564 5.557 0.120 1.00 51.55 C ATOM 787 C GLY A 48 -3.507 5.925 -0.895 1.00 2.23 C ATOM 788 O GLY A 48 -2.330 6.052 -0.552 1.00 25.31 O ATOM 0 H GLY A 48 -4.639 3.491 0.426 1.00 53.45 H new ATOM 0 HA2 GLY A 48 -5.374 6.285 0.078 1.00 51.55 H new ATOM 0 HA3 GLY A 48 -4.138 5.611 1.122 1.00 51.55 H new ATOM 792 N LEU A 49 -3.923 6.082 -2.146 1.00 42.31 N ATOM 793 CA LEU A 49 -3.011 6.465 -3.216 1.00 10.41 C ATOM 794 C LEU A 49 -2.467 7.866 -2.965 1.00 51.12 C ATOM 795 O LEU A 49 -3.136 8.869 -3.230 1.00 62.24 O ATOM 796 CB LEU A 49 -3.713 6.405 -4.575 1.00 23.42 C ATOM 797 CG LEU A 49 -2.825 6.740 -5.779 1.00 1.42 C ATOM 798 CD1 LEU A 49 -1.719 5.707 -5.935 1.00 45.53 C ATOM 799 CD2 LEU A 49 -3.658 6.829 -7.047 1.00 5.11 C ATOM 0 H LEU A 49 -4.889 5.949 -2.445 1.00 42.31 H new ATOM 0 HA LEU A 49 -2.180 5.760 -3.229 1.00 10.41 H new ATOM 0 HB2 LEU A 49 -4.122 5.404 -4.712 1.00 23.42 H new ATOM 0 HB3 LEU A 49 -4.557 7.095 -4.562 1.00 23.42 H new ATOM 0 HG LEU A 49 -2.362 7.711 -5.604 1.00 1.42 H new ATOM 0 HD11 LEU A 49 -1.100 5.963 -6.795 1.00 45.53 H new ATOM 0 HD12 LEU A 49 -1.103 5.695 -5.036 1.00 45.53 H new ATOM 0 HD13 LEU A 49 -2.160 4.722 -6.086 1.00 45.53 H new ATOM 0 HD21 LEU A 49 -3.011 7.068 -7.891 1.00 5.11 H new ATOM 0 HD22 LEU A 49 -4.151 5.874 -7.226 1.00 5.11 H new ATOM 0 HD23 LEU A 49 -4.410 7.610 -6.934 1.00 5.11 H new ATOM 811 N THR A 50 -1.262 7.925 -2.433 1.00 1.21 N ATOM 812 CA THR A 50 -0.646 9.183 -2.082 1.00 33.42 C ATOM 813 C THR A 50 0.442 9.540 -3.087 1.00 13.22 C ATOM 814 O THR A 50 1.571 9.050 -3.006 1.00 12.14 O ATOM 815 CB THR A 50 -0.057 9.119 -0.660 1.00 60.34 C ATOM 816 OG1 THR A 50 -1.036 8.586 0.244 1.00 40.40 O ATOM 817 CG2 THR A 50 0.373 10.498 -0.183 1.00 70.30 C ATOM 0 H THR A 50 -0.688 7.106 -2.234 1.00 1.21 H new ATOM 0 HA THR A 50 -1.412 9.958 -2.105 1.00 33.42 H new ATOM 0 HB THR A 50 0.820 8.472 -0.683 1.00 60.34 H new ATOM 0 HG1 THR A 50 -1.281 7.679 -0.036 1.00 40.40 H new ATOM 0 HG21 THR A 50 0.785 10.423 0.823 1.00 70.30 H new ATOM 0 HG22 THR A 50 1.132 10.896 -0.857 1.00 70.30 H new ATOM 0 HG23 THR A 50 -0.489 11.165 -0.173 1.00 70.30 H new ATOM 825 N VAL A 51 0.083 10.366 -4.053 1.00 74.42 N ATOM 826 CA VAL A 51 1.018 10.786 -5.079 1.00 4.33 C ATOM 827 C VAL A 51 1.618 12.144 -4.738 1.00 70.30 C ATOM 828 O VAL A 51 0.927 13.036 -4.243 1.00 73.40 O ATOM 829 CB VAL A 51 0.346 10.847 -6.471 1.00 24.23 C ATOM 830 CG1 VAL A 51 -0.108 9.463 -6.906 1.00 55.22 C ATOM 831 CG2 VAL A 51 -0.826 11.819 -6.472 1.00 23.35 C ATOM 0 H VAL A 51 -0.853 10.760 -4.148 1.00 74.42 H new ATOM 0 HA VAL A 51 1.813 10.042 -5.116 1.00 4.33 H new ATOM 0 HB VAL A 51 1.085 11.210 -7.185 1.00 24.23 H new ATOM 0 HG11 VAL A 51 -0.578 9.526 -7.887 1.00 55.22 H new ATOM 0 HG12 VAL A 51 0.753 8.797 -6.959 1.00 55.22 H new ATOM 0 HG13 VAL A 51 -0.825 9.072 -6.184 1.00 55.22 H new ATOM 0 HG21 VAL A 51 -1.279 11.842 -7.463 1.00 23.35 H new ATOM 0 HG22 VAL A 51 -1.567 11.496 -5.741 1.00 23.35 H new ATOM 0 HG23 VAL A 51 -0.472 12.817 -6.212 1.00 23.35 H new ATOM 841 N ALA A 52 2.912 12.287 -4.973 1.00 15.23 N ATOM 842 CA ALA A 52 3.578 13.559 -4.755 1.00 10.05 C ATOM 843 C ALA A 52 3.399 14.460 -5.970 1.00 45.14 C ATOM 844 O ALA A 52 3.240 13.976 -7.094 1.00 53.10 O ATOM 845 CB ALA A 52 5.051 13.350 -4.450 1.00 22.23 C ATOM 0 H ALA A 52 3.519 11.541 -5.313 1.00 15.23 H new ATOM 0 HA ALA A 52 3.123 14.046 -3.892 1.00 10.05 H new ATOM 0 HB1 ALA A 52 5.530 14.316 -4.290 1.00 22.23 H new ATOM 0 HB2 ALA A 52 5.154 12.741 -3.552 1.00 22.23 H new ATOM 0 HB3 ALA A 52 5.528 12.843 -5.289 1.00 22.23 H new ATOM 851 N LYS A 53 3.459 15.764 -5.747 1.00 31.43 N ATOM 852 CA LYS A 53 3.209 16.740 -6.801 1.00 1.54 C ATOM 853 C LYS A 53 4.468 16.942 -7.640 1.00 41.21 C ATOM 854 O LYS A 53 4.529 17.820 -8.502 1.00 23.12 O ATOM 855 CB LYS A 53 2.743 18.079 -6.203 1.00 30.01 C ATOM 856 CG LYS A 53 1.351 18.043 -5.575 1.00 14.32 C ATOM 857 CD LYS A 53 1.317 17.217 -4.294 1.00 72.20 C ATOM 858 CE LYS A 53 -0.090 17.095 -3.730 1.00 70.24 C ATOM 859 NZ LYS A 53 -0.628 18.399 -3.268 1.00 73.21 N ATOM 0 H LYS A 53 3.680 16.175 -4.840 1.00 31.43 H new ATOM 0 HA LYS A 53 2.416 16.359 -7.444 1.00 1.54 H new ATOM 0 HB2 LYS A 53 3.461 18.394 -5.446 1.00 30.01 H new ATOM 0 HB3 LYS A 53 2.754 18.836 -6.987 1.00 30.01 H new ATOM 0 HG2 LYS A 53 1.026 19.061 -5.358 1.00 14.32 H new ATOM 0 HG3 LYS A 53 0.642 17.628 -6.291 1.00 14.32 H new ATOM 0 HD2 LYS A 53 1.715 16.222 -4.494 1.00 72.20 H new ATOM 0 HD3 LYS A 53 1.967 17.676 -3.549 1.00 72.20 H new ATOM 0 HE2 LYS A 53 -0.750 16.682 -4.493 1.00 70.24 H new ATOM 0 HE3 LYS A 53 -0.085 16.391 -2.898 1.00 70.24 H new ATOM 0 HZ1 LYS A 53 -1.560 18.255 -2.831 1.00 73.21 H new ATOM 0 HZ2 LYS A 53 0.021 18.815 -2.570 1.00 73.21 H new ATOM 0 HZ3 LYS A 53 -0.722 19.043 -4.079 1.00 73.21 H new ATOM 873 N LYS A 54 5.467 16.117 -7.373 1.00 44.42 N ATOM 874 CA LYS A 54 6.720 16.155 -8.107 1.00 13.53 C ATOM 875 C LYS A 54 6.924 14.862 -8.889 1.00 34.23 C ATOM 876 O LYS A 54 7.872 14.735 -9.660 1.00 43.13 O ATOM 877 CB LYS A 54 7.881 16.363 -7.132 1.00 13.14 C ATOM 878 CG LYS A 54 8.010 15.249 -6.101 1.00 31.13 C ATOM 879 CD LYS A 54 9.069 15.562 -5.057 1.00 71.41 C ATOM 880 CE LYS A 54 10.443 15.731 -5.682 1.00 0.30 C ATOM 881 NZ LYS A 54 11.468 16.057 -4.660 1.00 20.51 N ATOM 0 H LYS A 54 5.432 15.405 -6.644 1.00 44.42 H new ATOM 0 HA LYS A 54 6.686 16.984 -8.814 1.00 13.53 H new ATOM 0 HB2 LYS A 54 8.811 16.436 -7.696 1.00 13.14 H new ATOM 0 HB3 LYS A 54 7.746 17.313 -6.615 1.00 13.14 H new ATOM 0 HG2 LYS A 54 7.049 15.097 -5.609 1.00 31.13 H new ATOM 0 HG3 LYS A 54 8.262 14.316 -6.605 1.00 31.13 H new ATOM 0 HD2 LYS A 54 8.797 16.474 -4.525 1.00 71.41 H new ATOM 0 HD3 LYS A 54 9.101 14.760 -4.320 1.00 71.41 H new ATOM 0 HE2 LYS A 54 10.723 14.814 -6.201 1.00 0.30 H new ATOM 0 HE3 LYS A 54 10.409 16.523 -6.430 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 12.394 16.166 -5.120 1.00 20.51 H new ATOM 0 HZ2 LYS A 54 11.212 16.945 -4.183 1.00 20.51 H new ATOM 0 HZ3 LYS A 54 11.517 15.289 -3.960 1.00 20.51 H new ATOM 895 N ASN A 55 6.026 13.903 -8.691 1.00 14.15 N ATOM 896 CA ASN A 55 6.175 12.593 -9.317 1.00 43.23 C ATOM 897 C ASN A 55 5.270 12.460 -10.535 1.00 0.20 C ATOM 898 O ASN A 55 5.731 12.135 -11.632 1.00 13.02 O ATOM 899 CB ASN A 55 5.877 11.468 -8.315 1.00 53.31 C ATOM 900 CG ASN A 55 6.834 11.460 -7.134 1.00 54.14 C ATOM 901 OD1 ASN A 55 7.954 11.960 -7.217 1.00 44.42 O ATOM 902 ND2 ASN A 55 6.419 10.849 -6.036 1.00 5.34 N ATOM 0 H ASN A 55 5.195 14.005 -8.108 1.00 14.15 H new ATOM 0 HA ASN A 55 7.211 12.503 -9.645 1.00 43.23 H new ATOM 0 HB2 ASN A 55 4.856 11.576 -7.948 1.00 53.31 H new ATOM 0 HB3 ASN A 55 5.932 10.508 -8.828 1.00 53.31 H new ATOM 0 HD21 ASN A 55 7.035 10.782 -5.226 1.00 5.34 H new ATOM 0 HD22 ASN A 55 5.483 10.445 -6.000 1.00 5.34 H new ATOM 909 N VAL A 56 3.983 12.706 -10.342 1.00 24.33 N ATOM 910 CA VAL A 56 3.026 12.630 -11.436 1.00 33.25 C ATOM 911 C VAL A 56 3.056 13.924 -12.240 1.00 41.41 C ATOM 912 O VAL A 56 2.390 14.898 -11.898 1.00 71.42 O ATOM 913 CB VAL A 56 1.595 12.356 -10.922 1.00 43.32 C ATOM 914 CG1 VAL A 56 0.627 12.191 -12.082 1.00 42.22 C ATOM 915 CG2 VAL A 56 1.573 11.123 -10.030 1.00 13.53 C ATOM 0 H VAL A 56 3.578 12.959 -9.441 1.00 24.33 H new ATOM 0 HA VAL A 56 3.313 11.796 -12.077 1.00 33.25 H new ATOM 0 HB VAL A 56 1.277 13.215 -10.331 1.00 43.32 H new ATOM 0 HG11 VAL A 56 -0.374 11.999 -11.696 1.00 42.22 H new ATOM 0 HG12 VAL A 56 0.617 13.102 -12.680 1.00 42.22 H new ATOM 0 HG13 VAL A 56 0.943 11.353 -12.703 1.00 42.22 H new ATOM 0 HG21 VAL A 56 0.557 10.947 -9.678 1.00 13.53 H new ATOM 0 HG22 VAL A 56 1.916 10.258 -10.597 1.00 13.53 H new ATOM 0 HG23 VAL A 56 2.231 11.281 -9.175 1.00 13.53 H new ATOM 925 N ARG A 57 3.863 13.937 -13.293 1.00 13.21 N ATOM 926 CA ARG A 57 4.042 15.136 -14.099 1.00 20.31 C ATOM 927 C ARG A 57 3.041 15.196 -15.253 1.00 20.33 C ATOM 928 O ARG A 57 2.738 16.276 -15.759 1.00 43.02 O ATOM 929 CB ARG A 57 5.480 15.212 -14.616 1.00 5.53 C ATOM 930 CG ARG A 57 5.926 13.989 -15.405 1.00 75.32 C ATOM 931 CD ARG A 57 7.413 14.044 -15.724 1.00 42.21 C ATOM 932 NE ARG A 57 7.774 15.249 -16.471 1.00 50.11 N ATOM 933 CZ ARG A 57 8.889 15.950 -16.268 1.00 72.53 C ATOM 934 NH1 ARG A 57 9.760 15.561 -15.344 1.00 74.34 N ATOM 935 NH2 ARG A 57 9.123 17.037 -16.995 1.00 50.25 N ATOM 0 H ARG A 57 4.403 13.131 -13.608 1.00 13.21 H new ATOM 0 HA ARG A 57 3.851 16.001 -13.464 1.00 20.31 H new ATOM 0 HB2 ARG A 57 5.581 16.094 -15.248 1.00 5.53 H new ATOM 0 HB3 ARG A 57 6.152 15.348 -13.769 1.00 5.53 H new ATOM 0 HG2 ARG A 57 5.708 13.087 -14.834 1.00 75.32 H new ATOM 0 HG3 ARG A 57 5.356 13.925 -16.332 1.00 75.32 H new ATOM 0 HD2 ARG A 57 7.983 14.010 -14.796 1.00 42.21 H new ATOM 0 HD3 ARG A 57 7.692 13.163 -16.302 1.00 42.21 H new ATOM 0 HE ARG A 57 7.131 15.573 -17.193 1.00 50.11 H new ATOM 0 HH11 ARG A 57 9.576 14.725 -14.789 1.00 74.34 H new ATOM 0 HH12 ARG A 57 10.613 16.098 -15.189 1.00 74.34 H new ATOM 0 HH21 ARG A 57 8.451 17.331 -17.704 1.00 50.25 H new ATOM 0 HH22 ARG A 57 9.975 17.578 -16.844 1.00 50.25 H new ATOM 949 N ARG A 58 2.527 14.044 -15.668 1.00 40.14 N ATOM 950 CA ARG A 58 1.499 14.007 -16.702 1.00 4.44 C ATOM 951 C ARG A 58 0.161 13.604 -16.100 1.00 25.43 C ATOM 952 O ARG A 58 0.090 12.681 -15.289 1.00 72.32 O ATOM 953 CB ARG A 58 1.866 13.051 -17.842 1.00 12.54 C ATOM 954 CG ARG A 58 3.016 13.532 -18.711 1.00 44.31 C ATOM 955 CD ARG A 58 4.329 12.878 -18.318 1.00 13.14 C ATOM 956 NE ARG A 58 4.315 11.437 -18.566 1.00 43.12 N ATOM 957 CZ ARG A 58 5.320 10.763 -19.125 1.00 1.21 C ATOM 958 NH1 ARG A 58 6.432 11.388 -19.493 1.00 3.22 N ATOM 959 NH2 ARG A 58 5.206 9.458 -19.320 1.00 64.02 N ATOM 0 H ARG A 58 2.802 13.130 -15.308 1.00 40.14 H new ATOM 0 HA ARG A 58 1.424 15.010 -17.121 1.00 4.44 H new ATOM 0 HB2 ARG A 58 2.126 12.081 -17.418 1.00 12.54 H new ATOM 0 HB3 ARG A 58 0.989 12.899 -18.471 1.00 12.54 H new ATOM 0 HG2 ARG A 58 2.799 13.312 -19.756 1.00 44.31 H new ATOM 0 HG3 ARG A 58 3.109 14.615 -18.625 1.00 44.31 H new ATOM 0 HD2 ARG A 58 5.145 13.335 -18.878 1.00 13.14 H new ATOM 0 HD3 ARG A 58 4.525 13.063 -17.262 1.00 13.14 H new ATOM 0 HE ARG A 58 3.483 10.914 -18.294 1.00 43.12 H new ATOM 0 HH11 ARG A 58 6.523 12.394 -19.349 1.00 3.22 H new ATOM 0 HH12 ARG A 58 7.195 10.863 -19.920 1.00 3.22 H new ATOM 0 HH21 ARG A 58 4.352 8.974 -19.043 1.00 64.02 H new ATOM 0 HH22 ARG A 58 5.972 8.937 -19.747 1.00 64.02 H new ATOM 973 N ALA A 59 -0.897 14.284 -16.517 1.00 74.14 N ATOM 974 CA ALA A 59 -2.223 14.068 -15.959 1.00 43.54 C ATOM 975 C ALA A 59 -2.772 12.697 -16.335 1.00 74.10 C ATOM 976 O ALA A 59 -3.507 12.082 -15.561 1.00 23.42 O ATOM 977 CB ALA A 59 -3.172 15.156 -16.428 1.00 40.02 C ATOM 0 H ALA A 59 -0.861 14.996 -17.246 1.00 74.14 H new ATOM 0 HA ALA A 59 -2.138 14.108 -14.873 1.00 43.54 H new ATOM 0 HB1 ALA A 59 -4.161 14.984 -16.004 1.00 40.02 H new ATOM 0 HB2 ALA A 59 -2.801 16.128 -16.101 1.00 40.02 H new ATOM 0 HB3 ALA A 59 -3.236 15.139 -17.516 1.00 40.02 H new ATOM 983 N HIS A 60 -2.404 12.204 -17.512 1.00 32.33 N ATOM 984 CA HIS A 60 -2.918 10.916 -17.981 1.00 71.21 C ATOM 985 C HIS A 60 -2.317 9.740 -17.210 1.00 20.51 C ATOM 986 O HIS A 60 -2.772 8.605 -17.357 1.00 72.51 O ATOM 987 CB HIS A 60 -2.732 10.728 -19.497 1.00 54.32 C ATOM 988 CG HIS A 60 -1.380 11.085 -20.043 1.00 12.42 C ATOM 989 ND1 HIS A 60 -0.262 10.293 -19.906 1.00 60.34 N ATOM 990 CD2 HIS A 60 -0.990 12.152 -20.778 1.00 42.11 C ATOM 991 CE1 HIS A 60 0.752 10.855 -20.538 1.00 32.01 C ATOM 992 NE2 HIS A 60 0.337 11.984 -21.075 1.00 41.53 N ATOM 0 H HIS A 60 -1.760 12.667 -18.154 1.00 32.33 H new ATOM 0 HA HIS A 60 -3.990 10.930 -17.782 1.00 71.21 H new ATOM 0 HB2 HIS A 60 -2.937 9.686 -19.742 1.00 54.32 H new ATOM 0 HB3 HIS A 60 -3.481 11.330 -20.012 1.00 54.32 H new ATOM 0 HD1 HIS A 60 -0.223 9.410 -19.396 1.00 60.34 H new ATOM 0 HD2 HIS A 60 -1.611 12.984 -21.076 1.00 42.11 H new ATOM 0 HE1 HIS A 60 1.753 10.456 -20.604 1.00 32.01 H new ATOM 1001 N GLU A 61 -1.314 10.012 -16.381 1.00 11.02 N ATOM 1002 CA GLU A 61 -0.762 8.988 -15.498 1.00 32.52 C ATOM 1003 C GLU A 61 -1.519 8.960 -14.176 1.00 52.23 C ATOM 1004 O GLU A 61 -1.547 7.942 -13.483 1.00 73.31 O ATOM 1005 CB GLU A 61 0.726 9.224 -15.230 1.00 64.35 C ATOM 1006 CG GLU A 61 1.650 8.481 -16.183 1.00 14.22 C ATOM 1007 CD GLU A 61 1.511 8.934 -17.619 1.00 73.04 C ATOM 1008 OE1 GLU A 61 0.611 8.430 -18.322 1.00 25.04 O ATOM 1009 OE2 GLU A 61 2.300 9.804 -18.046 1.00 42.52 O ATOM 0 H GLU A 61 -0.869 10.926 -16.301 1.00 11.02 H new ATOM 0 HA GLU A 61 -0.874 8.027 -16.001 1.00 32.52 H new ATOM 0 HB2 GLU A 61 0.932 10.292 -15.298 1.00 64.35 H new ATOM 0 HB3 GLU A 61 0.954 8.920 -14.208 1.00 64.35 H new ATOM 0 HG2 GLU A 61 2.682 8.622 -15.862 1.00 14.22 H new ATOM 0 HG3 GLU A 61 1.441 7.413 -16.123 1.00 14.22 H new ATOM 1016 N ARG A 62 -2.152 10.075 -13.839 1.00 31.52 N ATOM 1017 CA ARG A 62 -2.868 10.194 -12.576 1.00 12.05 C ATOM 1018 C ARG A 62 -4.070 9.253 -12.558 1.00 52.31 C ATOM 1019 O ARG A 62 -4.379 8.636 -11.538 1.00 54.55 O ATOM 1020 CB ARG A 62 -3.315 11.640 -12.361 1.00 53.35 C ATOM 1021 CG ARG A 62 -3.658 11.965 -10.918 1.00 2.01 C ATOM 1022 CD ARG A 62 -3.926 13.448 -10.736 1.00 42.41 C ATOM 1023 NE ARG A 62 -3.938 13.826 -9.326 1.00 20.20 N ATOM 1024 CZ ARG A 62 -3.408 14.954 -8.852 1.00 63.53 C ATOM 1025 NH1 ARG A 62 -2.873 15.845 -9.681 1.00 52.45 N ATOM 1026 NH2 ARG A 62 -3.421 15.193 -7.550 1.00 22.23 N ATOM 0 H ARG A 62 -2.184 10.911 -14.423 1.00 31.52 H new ATOM 0 HA ARG A 62 -2.199 9.912 -11.763 1.00 12.05 H new ATOM 0 HB2 ARG A 62 -2.523 12.309 -12.696 1.00 53.35 H new ATOM 0 HB3 ARG A 62 -4.186 11.838 -12.986 1.00 53.35 H new ATOM 0 HG2 ARG A 62 -4.535 11.395 -10.613 1.00 2.01 H new ATOM 0 HG3 ARG A 62 -2.837 11.659 -10.269 1.00 2.01 H new ATOM 0 HD2 ARG A 62 -3.162 14.023 -11.260 1.00 42.41 H new ATOM 0 HD3 ARG A 62 -4.884 13.703 -11.189 1.00 42.41 H new ATOM 0 HE ARG A 62 -4.379 13.188 -8.663 1.00 20.20 H new ATOM 0 HH11 ARG A 62 -2.867 15.668 -10.685 1.00 52.45 H new ATOM 0 HH12 ARG A 62 -2.469 16.706 -9.313 1.00 52.45 H new ATOM 0 HH21 ARG A 62 -3.836 14.515 -6.911 1.00 22.23 H new ATOM 0 HH22 ARG A 62 -3.016 16.055 -7.186 1.00 22.23 H new ATOM 1040 N ASN A 63 -4.727 9.133 -13.704 1.00 73.01 N ATOM 1041 CA ASN A 63 -5.853 8.216 -13.856 1.00 33.25 C ATOM 1042 C ASN A 63 -5.370 6.842 -14.297 1.00 24.24 C ATOM 1043 O ASN A 63 -6.160 5.916 -14.478 1.00 62.41 O ATOM 1044 CB ASN A 63 -6.859 8.760 -14.875 1.00 24.54 C ATOM 1045 CG ASN A 63 -7.660 9.927 -14.337 1.00 14.30 C ATOM 1046 OD1 ASN A 63 -7.256 11.083 -14.456 1.00 50.21 O ATOM 1047 ND2 ASN A 63 -8.807 9.632 -13.749 1.00 55.31 N ATOM 0 H ASN A 63 -4.500 9.661 -14.547 1.00 73.01 H new ATOM 0 HA ASN A 63 -6.345 8.125 -12.887 1.00 33.25 H new ATOM 0 HB2 ASN A 63 -6.327 9.073 -15.774 1.00 24.54 H new ATOM 0 HB3 ASN A 63 -7.540 7.962 -15.169 1.00 24.54 H new ATOM 0 HD21 ASN A 63 -9.394 10.377 -13.373 1.00 55.31 H new ATOM 0 HD22 ASN A 63 -9.105 8.660 -13.671 1.00 55.31 H new ATOM 1054 N ARG A 64 -4.066 6.719 -14.461 1.00 34.42 N ATOM 1055 CA ARG A 64 -3.457 5.492 -14.952 1.00 24.31 C ATOM 1056 C ARG A 64 -3.015 4.613 -13.785 1.00 53.20 C ATOM 1057 O ARG A 64 -3.256 3.405 -13.773 1.00 1.32 O ATOM 1058 CB ARG A 64 -2.271 5.863 -15.847 1.00 72.54 C ATOM 1059 CG ARG A 64 -1.532 4.696 -16.477 1.00 74.01 C ATOM 1060 CD ARG A 64 -0.489 5.206 -17.461 1.00 34.24 C ATOM 1061 NE ARG A 64 0.337 4.137 -18.023 1.00 42.44 N ATOM 1062 CZ ARG A 64 0.580 3.995 -19.326 1.00 31.04 C ATOM 1063 NH1 ARG A 64 -0.011 4.790 -20.212 1.00 22.15 N ATOM 1064 NH2 ARG A 64 1.415 3.055 -19.748 1.00 14.15 N ATOM 0 H ARG A 64 -3.399 7.463 -14.259 1.00 34.42 H new ATOM 0 HA ARG A 64 -4.181 4.920 -15.533 1.00 24.31 H new ATOM 0 HB2 ARG A 64 -2.630 6.514 -16.644 1.00 72.54 H new ATOM 0 HB3 ARG A 64 -1.561 6.443 -15.257 1.00 72.54 H new ATOM 0 HG2 ARG A 64 -1.051 4.099 -15.702 1.00 74.01 H new ATOM 0 HG3 ARG A 64 -2.238 4.043 -16.990 1.00 74.01 H new ATOM 0 HD2 ARG A 64 -0.990 5.735 -18.272 1.00 34.24 H new ATOM 0 HD3 ARG A 64 0.154 5.929 -16.959 1.00 34.24 H new ATOM 0 HE ARG A 64 0.751 3.461 -17.381 1.00 42.44 H new ATOM 0 HH11 ARG A 64 -0.656 5.515 -19.897 1.00 22.15 H new ATOM 0 HH12 ARG A 64 0.180 4.675 -21.207 1.00 22.15 H new ATOM 0 HH21 ARG A 64 1.872 2.440 -19.075 1.00 14.15 H new ATOM 0 HH22 ARG A 64 1.600 2.947 -20.745 1.00 14.15 H new ATOM 1078 N ILE A 65 -2.398 5.238 -12.788 1.00 51.31 N ATOM 1079 CA ILE A 65 -1.883 4.522 -11.626 1.00 32.11 C ATOM 1080 C ILE A 65 -3.020 3.974 -10.755 1.00 13.22 C ATOM 1081 O ILE A 65 -2.921 2.868 -10.216 1.00 73.14 O ATOM 1082 CB ILE A 65 -0.962 5.430 -10.777 1.00 54.11 C ATOM 1083 CG1 ILE A 65 0.190 5.969 -11.636 1.00 62.43 C ATOM 1084 CG2 ILE A 65 -0.418 4.677 -9.569 1.00 51.43 C ATOM 1085 CD1 ILE A 65 1.028 4.887 -12.287 1.00 41.32 C ATOM 0 H ILE A 65 -2.242 6.246 -12.762 1.00 51.31 H new ATOM 0 HA ILE A 65 -1.300 3.680 -12.000 1.00 32.11 H new ATOM 0 HB ILE A 65 -1.552 6.271 -10.413 1.00 54.11 H new ATOM 0 HG12 ILE A 65 -0.220 6.614 -12.413 1.00 62.43 H new ATOM 0 HG13 ILE A 65 0.835 6.590 -11.014 1.00 62.43 H new ATOM 0 HG21 ILE A 65 0.226 5.337 -8.989 1.00 51.43 H new ATOM 0 HG22 ILE A 65 -1.247 4.340 -8.947 1.00 51.43 H new ATOM 0 HG23 ILE A 65 0.156 3.814 -9.906 1.00 51.43 H new ATOM 0 HD11 ILE A 65 1.821 5.347 -12.877 1.00 41.32 H new ATOM 0 HD12 ILE A 65 1.469 4.255 -11.516 1.00 41.32 H new ATOM 0 HD13 ILE A 65 0.398 4.280 -12.937 1.00 41.32 H new ATOM 1097 N LYS A 66 -4.114 4.728 -10.646 1.00 14.32 N ATOM 1098 CA LYS A 66 -5.235 4.323 -9.792 1.00 14.14 C ATOM 1099 C LYS A 66 -6.137 3.300 -10.484 1.00 10.12 C ATOM 1100 O LYS A 66 -7.226 2.995 -10.003 1.00 52.44 O ATOM 1101 CB LYS A 66 -6.058 5.535 -9.335 1.00 51.54 C ATOM 1102 CG LYS A 66 -6.603 6.384 -10.467 1.00 71.20 C ATOM 1103 CD LYS A 66 -7.545 7.464 -9.953 1.00 22.43 C ATOM 1104 CE LYS A 66 -6.902 8.304 -8.860 1.00 12.32 C ATOM 1105 NZ LYS A 66 -7.848 9.306 -8.304 1.00 33.25 N ATOM 0 H LYS A 66 -4.249 5.614 -11.132 1.00 14.32 H new ATOM 0 HA LYS A 66 -4.803 3.848 -8.911 1.00 14.14 H new ATOM 0 HB2 LYS A 66 -6.891 5.184 -8.726 1.00 51.54 H new ATOM 0 HB3 LYS A 66 -5.436 6.161 -8.695 1.00 51.54 H new ATOM 0 HG2 LYS A 66 -5.776 6.847 -11.006 1.00 71.20 H new ATOM 0 HG3 LYS A 66 -7.131 5.748 -11.178 1.00 71.20 H new ATOM 0 HD2 LYS A 66 -7.843 8.110 -10.779 1.00 22.43 H new ATOM 0 HD3 LYS A 66 -8.453 7.000 -9.568 1.00 22.43 H new ATOM 0 HE2 LYS A 66 -6.551 7.652 -8.060 1.00 12.32 H new ATOM 0 HE3 LYS A 66 -6.027 8.815 -9.262 1.00 12.32 H new ATOM 0 HZ1 LYS A 66 -7.372 9.858 -7.562 1.00 33.25 H new ATOM 0 HZ2 LYS A 66 -8.163 9.944 -9.062 1.00 33.25 H new ATOM 0 HZ3 LYS A 66 -8.672 8.818 -7.898 1.00 33.25 H new ATOM 1119 N ARG A 67 -5.688 2.782 -11.615 1.00 32.43 N ATOM 1120 CA ARG A 67 -6.364 1.661 -12.252 1.00 3.22 C ATOM 1121 C ARG A 67 -5.784 0.353 -11.733 1.00 64.32 C ATOM 1122 O ARG A 67 -6.513 -0.550 -11.327 1.00 44.13 O ATOM 1123 CB ARG A 67 -6.222 1.726 -13.772 1.00 12.21 C ATOM 1124 CG ARG A 67 -7.286 2.566 -14.456 1.00 53.04 C ATOM 1125 CD ARG A 67 -7.095 2.582 -15.966 1.00 33.24 C ATOM 1126 NE ARG A 67 -6.754 1.256 -16.487 1.00 73.54 N ATOM 1127 CZ ARG A 67 -7.091 0.809 -17.694 1.00 13.31 C ATOM 1128 NH1 ARG A 67 -7.899 1.514 -18.477 1.00 63.02 N ATOM 1129 NH2 ARG A 67 -6.644 -0.372 -18.100 1.00 35.21 N ATOM 0 H ARG A 67 -4.862 3.117 -12.110 1.00 32.43 H new ATOM 0 HA ARG A 67 -7.425 1.714 -12.008 1.00 3.22 H new ATOM 0 HB2 ARG A 67 -5.240 2.131 -14.018 1.00 12.21 H new ATOM 0 HB3 ARG A 67 -6.259 0.713 -14.174 1.00 12.21 H new ATOM 0 HG2 ARG A 67 -8.273 2.171 -14.217 1.00 53.04 H new ATOM 0 HG3 ARG A 67 -7.249 3.586 -14.072 1.00 53.04 H new ATOM 0 HD2 ARG A 67 -8.008 2.936 -16.444 1.00 33.24 H new ATOM 0 HD3 ARG A 67 -6.306 3.288 -16.225 1.00 33.24 H new ATOM 0 HE ARG A 67 -6.221 0.632 -15.882 1.00 73.54 H new ATOM 0 HH11 ARG A 67 -8.268 2.409 -18.155 1.00 63.02 H new ATOM 0 HH12 ARG A 67 -8.150 1.161 -19.400 1.00 63.02 H new ATOM 0 HH21 ARG A 67 -6.047 -0.929 -17.489 1.00 35.21 H new ATOM 0 HH22 ARG A 67 -6.897 -0.723 -19.024 1.00 35.21 H new ATOM 1143 N LEU A 68 -4.460 0.287 -11.716 1.00 1.01 N ATOM 1144 CA LEU A 68 -3.744 -0.906 -11.281 1.00 64.35 C ATOM 1145 C LEU A 68 -3.957 -1.126 -9.785 1.00 45.42 C ATOM 1146 O LEU A 68 -4.220 -2.243 -9.334 1.00 53.14 O ATOM 1147 CB LEU A 68 -2.249 -0.738 -11.603 1.00 33.45 C ATOM 1148 CG LEU A 68 -1.427 -2.028 -11.754 1.00 64.03 C ATOM 1149 CD1 LEU A 68 -1.243 -2.734 -10.417 1.00 20.42 C ATOM 1150 CD2 LEU A 68 -2.080 -2.957 -12.768 1.00 4.43 C ATOM 0 H LEU A 68 -3.853 1.055 -12.002 1.00 1.01 H new ATOM 0 HA LEU A 68 -4.125 -1.781 -11.808 1.00 64.35 H new ATOM 0 HB2 LEU A 68 -2.162 -0.169 -12.528 1.00 33.45 H new ATOM 0 HB3 LEU A 68 -1.797 -0.136 -10.815 1.00 33.45 H new ATOM 0 HG LEU A 68 -0.437 -1.753 -12.118 1.00 64.03 H new ATOM 0 HD11 LEU A 68 -0.657 -3.642 -10.562 1.00 20.42 H new ATOM 0 HD12 LEU A 68 -0.722 -2.073 -9.725 1.00 20.42 H new ATOM 0 HD13 LEU A 68 -2.218 -2.994 -10.005 1.00 20.42 H new ATOM 0 HD21 LEU A 68 -1.486 -3.866 -12.864 1.00 4.43 H new ATOM 0 HD22 LEU A 68 -3.085 -3.214 -12.432 1.00 4.43 H new ATOM 0 HD23 LEU A 68 -2.137 -2.457 -13.735 1.00 4.43 H new ATOM 1162 N THR A 69 -3.866 -0.045 -9.026 1.00 13.11 N ATOM 1163 CA THR A 69 -3.978 -0.104 -7.576 1.00 35.30 C ATOM 1164 C THR A 69 -5.413 -0.383 -7.129 1.00 42.23 C ATOM 1165 O THR A 69 -5.640 -0.932 -6.053 1.00 54.42 O ATOM 1166 CB THR A 69 -3.490 1.212 -6.946 1.00 22.13 C ATOM 1167 OG1 THR A 69 -4.012 2.327 -7.684 1.00 31.13 O ATOM 1168 CG2 THR A 69 -1.971 1.276 -6.928 1.00 50.03 C ATOM 0 H THR A 69 -3.713 0.894 -9.395 1.00 13.11 H new ATOM 0 HA THR A 69 -3.350 -0.927 -7.236 1.00 35.30 H new ATOM 0 HB THR A 69 -3.849 1.253 -5.918 1.00 22.13 H new ATOM 0 HG1 THR A 69 -3.452 2.489 -8.472 1.00 31.13 H new ATOM 0 HG21 THR A 69 -1.652 2.216 -6.478 1.00 50.03 H new ATOM 0 HG22 THR A 69 -1.579 0.443 -6.345 1.00 50.03 H new ATOM 0 HG23 THR A 69 -1.592 1.215 -7.948 1.00 50.03 H new ATOM 1176 N ARG A 70 -6.372 -0.021 -7.974 1.00 21.43 N ATOM 1177 CA ARG A 70 -7.788 -0.171 -7.650 1.00 62.20 C ATOM 1178 C ARG A 70 -8.149 -1.631 -7.387 1.00 35.42 C ATOM 1179 O ARG A 70 -8.947 -1.940 -6.502 1.00 53.54 O ATOM 1180 CB ARG A 70 -8.644 0.358 -8.804 1.00 31.51 C ATOM 1181 CG ARG A 70 -10.136 0.349 -8.517 1.00 41.50 C ATOM 1182 CD ARG A 70 -10.938 0.001 -9.759 1.00 52.51 C ATOM 1183 NE ARG A 70 -10.608 0.860 -10.895 1.00 23.23 N ATOM 1184 CZ ARG A 70 -10.438 0.414 -12.141 1.00 72.45 C ATOM 1185 NH1 ARG A 70 -10.513 -0.886 -12.405 1.00 62.54 N ATOM 1186 NH2 ARG A 70 -10.179 1.267 -13.120 1.00 10.30 N ATOM 0 H ARG A 70 -6.194 0.381 -8.894 1.00 21.43 H new ATOM 0 HA ARG A 70 -7.984 0.402 -6.744 1.00 62.20 H new ATOM 0 HB2 ARG A 70 -8.335 1.377 -9.036 1.00 31.51 H new ATOM 0 HB3 ARG A 70 -8.451 -0.244 -9.692 1.00 31.51 H new ATOM 0 HG2 ARG A 70 -10.352 -0.372 -7.729 1.00 41.50 H new ATOM 0 HG3 ARG A 70 -10.443 1.327 -8.147 1.00 41.50 H new ATOM 0 HD2 ARG A 70 -10.753 -1.039 -10.028 1.00 52.51 H new ATOM 0 HD3 ARG A 70 -12.002 0.089 -9.538 1.00 52.51 H new ATOM 0 HE ARG A 70 -10.501 1.860 -10.725 1.00 23.23 H new ATOM 0 HH11 ARG A 70 -10.701 -1.549 -11.653 1.00 62.54 H new ATOM 0 HH12 ARG A 70 -10.382 -1.221 -13.360 1.00 62.54 H new ATOM 0 HH21 ARG A 70 -10.109 2.265 -12.922 1.00 10.30 H new ATOM 0 HH22 ARG A 70 -10.049 0.926 -14.072 1.00 10.30 H new ATOM 1200 N GLU A 71 -7.550 -2.523 -8.161 1.00 13.34 N ATOM 1201 CA GLU A 71 -7.896 -3.934 -8.111 1.00 22.30 C ATOM 1202 C GLU A 71 -6.955 -4.720 -7.205 1.00 22.11 C ATOM 1203 O GLU A 71 -7.382 -5.622 -6.485 1.00 25.01 O ATOM 1204 CB GLU A 71 -7.859 -4.517 -9.521 1.00 61.44 C ATOM 1205 CG GLU A 71 -8.800 -3.819 -10.484 1.00 71.15 C ATOM 1206 CD GLU A 71 -8.670 -4.343 -11.894 1.00 64.13 C ATOM 1207 OE1 GLU A 71 -8.851 -5.557 -12.096 1.00 25.54 O ATOM 1208 OE2 GLU A 71 -8.379 -3.542 -12.810 1.00 3.01 O ATOM 0 H GLU A 71 -6.819 -2.293 -8.834 1.00 13.34 H new ATOM 0 HA GLU A 71 -8.900 -4.017 -7.695 1.00 22.30 H new ATOM 0 HB2 GLU A 71 -6.842 -4.452 -9.907 1.00 61.44 H new ATOM 0 HB3 GLU A 71 -8.116 -5.575 -9.476 1.00 61.44 H new ATOM 0 HG2 GLU A 71 -9.827 -3.950 -10.144 1.00 71.15 H new ATOM 0 HG3 GLU A 71 -8.595 -2.748 -10.476 1.00 71.15 H new ATOM 1215 N SER A 72 -5.681 -4.361 -7.221 1.00 61.44 N ATOM 1216 CA SER A 72 -4.658 -5.133 -6.525 1.00 44.30 C ATOM 1217 C SER A 72 -4.785 -5.028 -5.002 1.00 23.53 C ATOM 1218 O SER A 72 -4.153 -5.791 -4.266 1.00 71.23 O ATOM 1219 CB SER A 72 -3.273 -4.677 -6.985 1.00 50.12 C ATOM 1220 OG SER A 72 -3.182 -3.264 -6.998 1.00 3.25 O ATOM 0 H SER A 72 -5.328 -3.538 -7.709 1.00 61.44 H new ATOM 0 HA SER A 72 -4.800 -6.184 -6.778 1.00 44.30 H new ATOM 0 HB2 SER A 72 -2.512 -5.088 -6.321 1.00 50.12 H new ATOM 0 HB3 SER A 72 -3.070 -5.067 -7.982 1.00 50.12 H new ATOM 0 HG SER A 72 -3.435 -2.928 -7.883 1.00 3.25 H new ATOM 1226 N PHE A 73 -5.602 -4.091 -4.534 1.00 42.14 N ATOM 1227 CA PHE A 73 -5.799 -3.903 -3.101 1.00 21.12 C ATOM 1228 C PHE A 73 -7.229 -4.237 -2.671 1.00 53.24 C ATOM 1229 O PHE A 73 -7.616 -3.966 -1.536 1.00 72.42 O ATOM 1230 CB PHE A 73 -5.449 -2.467 -2.702 1.00 21.53 C ATOM 1231 CG PHE A 73 -3.986 -2.146 -2.838 1.00 51.53 C ATOM 1232 CD1 PHE A 73 -3.078 -2.588 -1.890 1.00 35.21 C ATOM 1233 CD2 PHE A 73 -3.518 -1.409 -3.913 1.00 11.55 C ATOM 1234 CE1 PHE A 73 -1.732 -2.303 -2.014 1.00 44.54 C ATOM 1235 CE2 PHE A 73 -2.173 -1.121 -4.041 1.00 2.02 C ATOM 1236 CZ PHE A 73 -1.280 -1.566 -3.089 1.00 63.41 C ATOM 0 H PHE A 73 -6.137 -3.452 -5.123 1.00 42.14 H new ATOM 0 HA PHE A 73 -5.132 -4.594 -2.586 1.00 21.12 H new ATOM 0 HB2 PHE A 73 -6.023 -1.777 -3.320 1.00 21.53 H new ATOM 0 HB3 PHE A 73 -5.755 -2.301 -1.669 1.00 21.53 H new ATOM 0 HD1 PHE A 73 -3.426 -3.162 -1.044 1.00 35.21 H new ATOM 0 HD2 PHE A 73 -4.213 -1.055 -4.660 1.00 11.55 H new ATOM 0 HE1 PHE A 73 -1.034 -2.657 -1.270 1.00 44.54 H new ATOM 0 HE2 PHE A 73 -1.821 -0.548 -4.886 1.00 2.02 H new ATOM 0 HZ PHE A 73 -0.229 -1.338 -3.185 1.00 63.41 H new ATOM 1246 N ARG A 74 -8.013 -4.837 -3.564 1.00 1.01 N ATOM 1247 CA ARG A 74 -9.389 -5.193 -3.220 1.00 60.50 C ATOM 1248 C ARG A 74 -9.787 -6.567 -3.763 1.00 20.23 C ATOM 1249 O ARG A 74 -10.506 -7.309 -3.100 1.00 24.44 O ATOM 1250 CB ARG A 74 -10.376 -4.132 -3.721 1.00 40.35 C ATOM 1251 CG ARG A 74 -11.826 -4.481 -3.414 1.00 53.31 C ATOM 1252 CD ARG A 74 -12.790 -3.389 -3.847 1.00 41.11 C ATOM 1253 NE ARG A 74 -12.668 -2.179 -3.035 1.00 21.33 N ATOM 1254 CZ ARG A 74 -13.302 -1.990 -1.874 1.00 21.13 C ATOM 1255 NH1 ARG A 74 -14.045 -2.957 -1.342 1.00 44.22 N ATOM 1256 NH2 ARG A 74 -13.185 -0.833 -1.234 1.00 13.32 N ATOM 0 H ARG A 74 -7.728 -5.083 -4.512 1.00 1.01 H new ATOM 0 HA ARG A 74 -9.433 -5.237 -2.132 1.00 60.50 H new ATOM 0 HB2 ARG A 74 -10.134 -3.173 -3.264 1.00 40.35 H new ATOM 0 HB3 ARG A 74 -10.257 -4.011 -4.798 1.00 40.35 H new ATOM 0 HG2 ARG A 74 -12.087 -5.412 -3.917 1.00 53.31 H new ATOM 0 HG3 ARG A 74 -11.936 -4.655 -2.344 1.00 53.31 H new ATOM 0 HD2 ARG A 74 -12.607 -3.141 -4.892 1.00 41.11 H new ATOM 0 HD3 ARG A 74 -13.811 -3.764 -3.783 1.00 41.11 H new ATOM 0 HE ARG A 74 -12.061 -1.433 -3.376 1.00 21.33 H new ATOM 0 HH11 ARG A 74 -14.135 -3.853 -1.821 1.00 44.22 H new ATOM 0 HH12 ARG A 74 -14.525 -2.802 -0.455 1.00 44.22 H new ATOM 0 HH21 ARG A 74 -12.611 -0.088 -1.628 1.00 13.32 H new ATOM 0 HH22 ARG A 74 -13.669 -0.689 -0.348 1.00 13.32 H new ATOM 1270 N LEU A 75 -9.301 -6.920 -4.949 1.00 54.13 N ATOM 1271 CA LEU A 75 -9.739 -8.149 -5.624 1.00 11.23 C ATOM 1272 C LEU A 75 -9.137 -9.415 -5.005 1.00 42.22 C ATOM 1273 O LEU A 75 -9.113 -10.471 -5.639 1.00 65.44 O ATOM 1274 CB LEU A 75 -9.377 -8.085 -7.110 1.00 52.22 C ATOM 1275 CG LEU A 75 -10.570 -8.024 -8.068 1.00 42.53 C ATOM 1276 CD1 LEU A 75 -10.095 -7.866 -9.504 1.00 53.42 C ATOM 1277 CD2 LEU A 75 -11.433 -9.267 -7.930 1.00 61.32 C ATOM 0 H LEU A 75 -8.607 -6.379 -5.465 1.00 54.13 H new ATOM 0 HA LEU A 75 -10.820 -8.210 -5.499 1.00 11.23 H new ATOM 0 HB2 LEU A 75 -8.751 -7.209 -7.278 1.00 52.22 H new ATOM 0 HB3 LEU A 75 -8.775 -8.959 -7.359 1.00 52.22 H new ATOM 0 HG LEU A 75 -11.173 -7.155 -7.805 1.00 42.53 H new ATOM 0 HD11 LEU A 75 -10.957 -7.825 -10.170 1.00 53.42 H new ATOM 0 HD12 LEU A 75 -9.520 -6.945 -9.598 1.00 53.42 H new ATOM 0 HD13 LEU A 75 -9.468 -8.715 -9.775 1.00 53.42 H new ATOM 0 HD21 LEU A 75 -12.275 -9.204 -8.619 1.00 61.32 H new ATOM 0 HD22 LEU A 75 -10.839 -10.150 -8.163 1.00 61.32 H new ATOM 0 HD23 LEU A 75 -11.805 -9.340 -6.908 1.00 61.32 H new ATOM 1289 N ARG A 76 -8.666 -9.315 -3.769 1.00 31.31 N ATOM 1290 CA ARG A 76 -8.095 -10.456 -3.060 1.00 34.33 C ATOM 1291 C ARG A 76 -8.605 -10.475 -1.622 1.00 22.52 C ATOM 1292 O ARG A 76 -7.946 -11.001 -0.731 1.00 60.32 O ATOM 1293 CB ARG A 76 -6.562 -10.376 -3.051 1.00 31.11 C ATOM 1294 CG ARG A 76 -5.918 -10.294 -4.429 1.00 74.52 C ATOM 1295 CD ARG A 76 -6.191 -11.536 -5.266 1.00 3.42 C ATOM 1296 NE ARG A 76 -5.484 -11.489 -6.547 1.00 12.13 N ATOM 1297 CZ ARG A 76 -6.038 -11.096 -7.695 1.00 32.05 C ATOM 1298 NH1 ARG A 76 -7.321 -10.762 -7.743 1.00 55.52 N ATOM 1299 NH2 ARG A 76 -5.308 -11.048 -8.800 1.00 31.14 N ATOM 0 H ARG A 76 -8.668 -8.448 -3.232 1.00 31.31 H new ATOM 0 HA ARG A 76 -8.398 -11.368 -3.574 1.00 34.33 H new ATOM 0 HB2 ARG A 76 -6.261 -9.503 -2.472 1.00 31.11 H new ATOM 0 HB3 ARG A 76 -6.170 -11.252 -2.534 1.00 31.11 H new ATOM 0 HG2 ARG A 76 -6.295 -9.415 -4.952 1.00 74.52 H new ATOM 0 HG3 ARG A 76 -4.842 -10.162 -4.318 1.00 74.52 H new ATOM 0 HD2 ARG A 76 -5.884 -12.423 -4.712 1.00 3.42 H new ATOM 0 HD3 ARG A 76 -7.262 -11.627 -5.444 1.00 3.42 H new ATOM 0 HE ARG A 76 -4.505 -11.775 -6.563 1.00 12.13 H new ATOM 0 HH11 ARG A 76 -7.891 -10.805 -6.898 1.00 55.52 H new ATOM 0 HH12 ARG A 76 -7.737 -10.462 -8.625 1.00 55.52 H new ATOM 0 HH21 ARG A 76 -4.323 -11.312 -8.772 1.00 31.14 H new ATOM 0 HH22 ARG A 76 -5.731 -10.748 -9.678 1.00 31.14 H new ATOM 1313 N GLN A 77 -9.800 -9.923 -1.415 1.00 13.02 N ATOM 1314 CA GLN A 77 -10.316 -9.669 -0.067 1.00 54.14 C ATOM 1315 C GLN A 77 -10.565 -10.944 0.750 1.00 62.23 C ATOM 1316 O GLN A 77 -10.772 -10.865 1.960 1.00 52.41 O ATOM 1317 CB GLN A 77 -11.601 -8.828 -0.116 1.00 11.45 C ATOM 1318 CG GLN A 77 -12.781 -9.490 -0.818 1.00 23.52 C ATOM 1319 CD GLN A 77 -12.841 -9.190 -2.305 1.00 3.32 C ATOM 1320 OE1 GLN A 77 -13.415 -8.183 -2.720 1.00 21.54 O ATOM 1321 NE2 GLN A 77 -12.278 -10.066 -3.121 1.00 62.03 N ATOM 0 H GLN A 77 -10.432 -9.642 -2.165 1.00 13.02 H new ATOM 0 HA GLN A 77 -9.529 -9.113 0.443 1.00 54.14 H new ATOM 0 HB2 GLN A 77 -11.896 -8.584 0.905 1.00 11.45 H new ATOM 0 HB3 GLN A 77 -11.381 -7.886 -0.618 1.00 11.45 H new ATOM 0 HG2 GLN A 77 -12.722 -10.569 -0.674 1.00 23.52 H new ATOM 0 HG3 GLN A 77 -13.707 -9.157 -0.350 1.00 23.52 H new ATOM 0 HE21 GLN A 77 -11.811 -10.889 -2.741 1.00 62.03 H new ATOM 0 HE22 GLN A 77 -12.311 -9.918 -4.130 1.00 62.03 H new ATOM 1330 N HIS A 78 -10.559 -12.110 0.113 1.00 33.23 N ATOM 1331 CA HIS A 78 -10.754 -13.357 0.850 1.00 70.11 C ATOM 1332 C HIS A 78 -9.470 -13.756 1.570 1.00 23.12 C ATOM 1333 O HIS A 78 -9.502 -14.182 2.724 1.00 52.34 O ATOM 1334 CB HIS A 78 -11.209 -14.495 -0.071 1.00 24.33 C ATOM 1335 CG HIS A 78 -11.501 -15.771 0.665 1.00 21.35 C ATOM 1336 ND1 HIS A 78 -10.809 -16.943 0.452 1.00 74.11 N ATOM 1337 CD2 HIS A 78 -12.420 -16.049 1.620 1.00 0.55 C ATOM 1338 CE1 HIS A 78 -11.292 -17.884 1.242 1.00 15.53 C ATOM 1339 NE2 HIS A 78 -12.267 -17.368 1.961 1.00 11.12 N ATOM 0 H HIS A 78 -10.424 -12.220 -0.892 1.00 33.23 H new ATOM 0 HA HIS A 78 -11.541 -13.182 1.584 1.00 70.11 H new ATOM 0 HB2 HIS A 78 -12.103 -14.182 -0.611 1.00 24.33 H new ATOM 0 HB3 HIS A 78 -10.436 -14.682 -0.816 1.00 24.33 H new ATOM 0 HD2 HIS A 78 -13.140 -15.360 2.036 1.00 0.55 H new ATOM 0 HE1 HIS A 78 -10.946 -18.906 1.290 1.00 15.53 H new ATOM 0 HE2 HIS A 78 -12.819 -17.868 2.658 1.00 11.12 H new ATOM 1348 N GLU A 79 -8.350 -13.624 0.885 1.00 61.30 N ATOM 1349 CA GLU A 79 -7.062 -13.965 1.460 1.00 33.33 C ATOM 1350 C GLU A 79 -6.140 -12.752 1.410 1.00 4.22 C ATOM 1351 O GLU A 79 -5.366 -12.576 0.465 1.00 42.20 O ATOM 1352 CB GLU A 79 -6.454 -15.160 0.722 1.00 33.31 C ATOM 1353 CG GLU A 79 -5.099 -15.599 1.247 1.00 53.42 C ATOM 1354 CD GLU A 79 -4.600 -16.856 0.572 1.00 75.00 C ATOM 1355 OE1 GLU A 79 -4.452 -16.857 -0.671 1.00 21.33 O ATOM 1356 OE2 GLU A 79 -4.368 -17.860 1.275 1.00 74.02 O ATOM 0 H GLU A 79 -8.306 -13.281 -0.075 1.00 61.30 H new ATOM 0 HA GLU A 79 -7.193 -14.251 2.504 1.00 33.33 H new ATOM 0 HB2 GLU A 79 -7.145 -16.001 0.786 1.00 33.31 H new ATOM 0 HB3 GLU A 79 -6.356 -14.908 -0.334 1.00 33.31 H new ATOM 0 HG2 GLU A 79 -4.376 -14.797 1.096 1.00 53.42 H new ATOM 0 HG3 GLU A 79 -5.166 -15.769 2.322 1.00 53.42 H new ATOM 1363 N LEU A 80 -6.274 -11.899 2.419 1.00 42.33 N ATOM 1364 CA LEU A 80 -5.524 -10.654 2.499 1.00 24.54 C ATOM 1365 C LEU A 80 -5.747 -10.010 3.865 1.00 0.42 C ATOM 1366 O LEU A 80 -6.874 -9.984 4.362 1.00 63.50 O ATOM 1367 CB LEU A 80 -5.984 -9.689 1.397 1.00 0.23 C ATOM 1368 CG LEU A 80 -5.162 -8.405 1.252 1.00 53.14 C ATOM 1369 CD1 LEU A 80 -3.759 -8.719 0.752 1.00 31.11 C ATOM 1370 CD2 LEU A 80 -5.861 -7.433 0.312 1.00 61.11 C ATOM 0 H LEU A 80 -6.906 -12.052 3.204 1.00 42.33 H new ATOM 0 HA LEU A 80 -4.464 -10.869 2.364 1.00 24.54 H new ATOM 0 HB2 LEU A 80 -5.966 -10.219 0.445 1.00 0.23 H new ATOM 0 HB3 LEU A 80 -7.021 -9.415 1.590 1.00 0.23 H new ATOM 0 HG LEU A 80 -5.076 -7.937 2.233 1.00 53.14 H new ATOM 0 HD11 LEU A 80 -3.191 -7.793 0.656 1.00 31.11 H new ATOM 0 HD12 LEU A 80 -3.259 -9.379 1.461 1.00 31.11 H new ATOM 0 HD13 LEU A 80 -3.820 -9.210 -0.219 1.00 31.11 H new ATOM 0 HD21 LEU A 80 -5.265 -6.525 0.219 1.00 61.11 H new ATOM 0 HD22 LEU A 80 -5.976 -7.894 -0.669 1.00 61.11 H new ATOM 0 HD23 LEU A 80 -6.843 -7.183 0.712 1.00 61.11 H new ATOM 1382 N PRO A 81 -4.678 -9.524 4.515 1.00 34.13 N ATOM 1383 CA PRO A 81 -4.796 -8.780 5.770 1.00 4.41 C ATOM 1384 C PRO A 81 -5.528 -7.457 5.570 1.00 44.35 C ATOM 1385 O PRO A 81 -5.017 -6.545 4.916 1.00 2.24 O ATOM 1386 CB PRO A 81 -3.344 -8.529 6.195 1.00 71.21 C ATOM 1387 CG PRO A 81 -2.528 -9.481 5.386 1.00 42.34 C ATOM 1388 CD PRO A 81 -3.277 -9.680 4.102 1.00 53.23 C ATOM 0 HA PRO A 81 -5.370 -9.329 6.516 1.00 4.41 H new ATOM 0 HB2 PRO A 81 -3.050 -7.497 6.003 1.00 71.21 H new ATOM 0 HB3 PRO A 81 -3.210 -8.705 7.262 1.00 71.21 H new ATOM 0 HG2 PRO A 81 -1.532 -9.080 5.199 1.00 42.34 H new ATOM 0 HG3 PRO A 81 -2.397 -10.427 5.912 1.00 42.34 H new ATOM 0 HD2 PRO A 81 -2.993 -8.944 3.350 1.00 53.23 H new ATOM 0 HD3 PRO A 81 -3.089 -10.664 3.672 1.00 53.23 H new ATOM 1396 N ALA A 82 -6.728 -7.365 6.128 1.00 23.33 N ATOM 1397 CA ALA A 82 -7.560 -6.181 5.966 1.00 60.32 C ATOM 1398 C ALA A 82 -7.072 -5.040 6.849 1.00 51.45 C ATOM 1399 O ALA A 82 -7.360 -4.992 8.045 1.00 71.13 O ATOM 1400 CB ALA A 82 -9.014 -6.507 6.273 1.00 71.33 C ATOM 0 H ALA A 82 -7.148 -8.099 6.699 1.00 23.33 H new ATOM 0 HA ALA A 82 -7.486 -5.857 4.928 1.00 60.32 H new ATOM 0 HB1 ALA A 82 -9.622 -5.611 6.147 1.00 71.33 H new ATOM 0 HB2 ALA A 82 -9.365 -7.282 5.592 1.00 71.33 H new ATOM 0 HB3 ALA A 82 -9.098 -6.861 7.300 1.00 71.33 H new ATOM 1406 N MET A 83 -6.317 -4.137 6.251 1.00 32.24 N ATOM 1407 CA MET A 83 -5.806 -2.969 6.948 1.00 32.02 C ATOM 1408 C MET A 83 -5.769 -1.789 5.989 1.00 1.21 C ATOM 1409 O MET A 83 -6.389 -1.837 4.927 1.00 33.21 O ATOM 1410 CB MET A 83 -4.408 -3.245 7.518 1.00 51.41 C ATOM 1411 CG MET A 83 -3.368 -3.608 6.469 1.00 11.44 C ATOM 1412 SD MET A 83 -1.764 -4.010 7.193 1.00 24.22 S ATOM 1413 CE MET A 83 -0.797 -4.308 5.716 1.00 42.51 C ATOM 0 H MET A 83 -6.041 -4.191 5.271 1.00 32.24 H new ATOM 0 HA MET A 83 -6.466 -2.734 7.783 1.00 32.02 H new ATOM 0 HB2 MET A 83 -4.068 -2.363 8.060 1.00 51.41 H new ATOM 0 HB3 MET A 83 -4.477 -4.057 8.242 1.00 51.41 H new ATOM 0 HG2 MET A 83 -3.724 -4.459 5.889 1.00 11.44 H new ATOM 0 HG3 MET A 83 -3.251 -2.776 5.775 1.00 11.44 H new ATOM 0 HE1 MET A 83 0.264 -4.235 5.955 1.00 42.51 H new ATOM 0 HE2 MET A 83 -1.015 -5.305 5.333 1.00 42.51 H new ATOM 0 HE3 MET A 83 -1.051 -3.566 4.959 1.00 42.51 H new ATOM 1423 N ASP A 84 -5.065 -0.733 6.362 1.00 11.55 N ATOM 1424 CA ASP A 84 -4.911 0.411 5.477 1.00 41.41 C ATOM 1425 C ASP A 84 -3.896 0.079 4.394 1.00 65.03 C ATOM 1426 O ASP A 84 -3.061 -0.811 4.565 1.00 42.34 O ATOM 1427 CB ASP A 84 -4.444 1.654 6.242 1.00 61.44 C ATOM 1428 CG ASP A 84 -2.969 1.599 6.591 1.00 60.22 C ATOM 1429 OD1 ASP A 84 -2.630 1.021 7.640 1.00 60.42 O ATOM 1430 OD2 ASP A 84 -2.148 2.132 5.811 1.00 11.13 O ATOM 0 H ASP A 84 -4.595 -0.643 7.263 1.00 11.55 H new ATOM 0 HA ASP A 84 -5.883 0.628 5.033 1.00 41.41 H new ATOM 0 HB2 ASP A 84 -4.639 2.542 5.641 1.00 61.44 H new ATOM 0 HB3 ASP A 84 -5.027 1.754 7.157 1.00 61.44 H new ATOM 1435 N PHE A 85 -3.972 0.782 3.283 1.00 54.44 N ATOM 1436 CA PHE A 85 -3.012 0.598 2.217 1.00 20.14 C ATOM 1437 C PHE A 85 -2.507 1.946 1.736 1.00 22.20 C ATOM 1438 O PHE A 85 -2.946 2.453 0.703 1.00 54.22 O ATOM 1439 CB PHE A 85 -3.617 -0.192 1.051 1.00 74.42 C ATOM 1440 CG PHE A 85 -4.083 -1.573 1.431 1.00 44.23 C ATOM 1441 CD1 PHE A 85 -3.167 -2.587 1.675 1.00 52.05 C ATOM 1442 CD2 PHE A 85 -5.435 -1.858 1.544 1.00 41.35 C ATOM 1443 CE1 PHE A 85 -3.590 -3.855 2.025 1.00 14.13 C ATOM 1444 CE2 PHE A 85 -5.863 -3.126 1.894 1.00 64.34 C ATOM 1445 CZ PHE A 85 -4.940 -4.124 2.133 1.00 33.11 C ATOM 0 H PHE A 85 -4.687 1.484 3.096 1.00 54.44 H new ATOM 0 HA PHE A 85 -2.175 0.021 2.610 1.00 20.14 H new ATOM 0 HB2 PHE A 85 -4.460 0.367 0.644 1.00 74.42 H new ATOM 0 HB3 PHE A 85 -2.876 -0.274 0.256 1.00 74.42 H new ATOM 0 HD1 PHE A 85 -2.110 -2.382 1.590 1.00 52.05 H new ATOM 0 HD2 PHE A 85 -6.162 -1.082 1.357 1.00 41.35 H new ATOM 0 HE1 PHE A 85 -2.866 -4.634 2.214 1.00 14.13 H new ATOM 0 HE2 PHE A 85 -6.919 -3.335 1.980 1.00 64.34 H new ATOM 0 HZ PHE A 85 -5.274 -5.115 2.404 1.00 33.11 H new ATOM 1455 N VAL A 86 -1.632 2.553 2.525 1.00 52.23 N ATOM 1456 CA VAL A 86 -0.993 3.795 2.125 1.00 42.24 C ATOM 1457 C VAL A 86 -0.055 3.531 0.956 1.00 75.11 C ATOM 1458 O VAL A 86 1.028 2.965 1.126 1.00 51.44 O ATOM 1459 CB VAL A 86 -0.202 4.447 3.280 1.00 25.24 C ATOM 1460 CG1 VAL A 86 0.414 5.764 2.832 1.00 3.14 C ATOM 1461 CG2 VAL A 86 -1.096 4.667 4.489 1.00 72.10 C ATOM 0 H VAL A 86 -1.350 2.206 3.442 1.00 52.23 H new ATOM 0 HA VAL A 86 -1.781 4.489 1.833 1.00 42.24 H new ATOM 0 HB VAL A 86 0.601 3.768 3.565 1.00 25.24 H new ATOM 0 HG11 VAL A 86 0.967 6.207 3.660 1.00 3.14 H new ATOM 0 HG12 VAL A 86 1.092 5.583 1.998 1.00 3.14 H new ATOM 0 HG13 VAL A 86 -0.375 6.446 2.516 1.00 3.14 H new ATOM 0 HG21 VAL A 86 -0.518 5.127 5.290 1.00 72.10 H new ATOM 0 HG22 VAL A 86 -1.923 5.322 4.216 1.00 72.10 H new ATOM 0 HG23 VAL A 86 -1.490 3.709 4.830 1.00 72.10 H new ATOM 1471 N VAL A 87 -0.499 3.907 -0.231 1.00 14.11 N ATOM 1472 CA VAL A 87 0.278 3.709 -1.435 1.00 63.54 C ATOM 1473 C VAL A 87 1.094 4.954 -1.730 1.00 22.01 C ATOM 1474 O VAL A 87 0.572 5.939 -2.254 1.00 13.11 O ATOM 1475 CB VAL A 87 -0.625 3.388 -2.646 1.00 64.55 C ATOM 1476 CG1 VAL A 87 0.212 3.107 -3.882 1.00 11.35 C ATOM 1477 CG2 VAL A 87 -1.536 2.210 -2.339 1.00 52.02 C ATOM 0 H VAL A 87 -1.403 4.355 -0.384 1.00 14.11 H new ATOM 0 HA VAL A 87 0.940 2.859 -1.269 1.00 63.54 H new ATOM 0 HB VAL A 87 -1.247 4.260 -2.846 1.00 64.55 H new ATOM 0 HG11 VAL A 87 -0.445 2.883 -4.723 1.00 11.35 H new ATOM 0 HG12 VAL A 87 0.818 3.982 -4.118 1.00 11.35 H new ATOM 0 HG13 VAL A 87 0.864 2.254 -3.694 1.00 11.35 H new ATOM 0 HG21 VAL A 87 -2.164 2.000 -3.205 1.00 52.02 H new ATOM 0 HG22 VAL A 87 -0.931 1.333 -2.108 1.00 52.02 H new ATOM 0 HG23 VAL A 87 -2.167 2.451 -1.483 1.00 52.02 H new ATOM 1487 N VAL A 88 2.362 4.921 -1.363 1.00 10.03 N ATOM 1488 CA VAL A 88 3.245 6.047 -1.599 1.00 51.21 C ATOM 1489 C VAL A 88 3.832 5.951 -2.999 1.00 52.12 C ATOM 1490 O VAL A 88 4.808 5.231 -3.231 1.00 72.34 O ATOM 1491 CB VAL A 88 4.384 6.113 -0.560 1.00 0.11 C ATOM 1492 CG1 VAL A 88 5.175 7.403 -0.715 1.00 52.53 C ATOM 1493 CG2 VAL A 88 3.827 5.991 0.852 1.00 71.22 C ATOM 0 H VAL A 88 2.803 4.126 -0.900 1.00 10.03 H new ATOM 0 HA VAL A 88 2.655 6.959 -1.502 1.00 51.21 H new ATOM 0 HB VAL A 88 5.059 5.275 -0.736 1.00 0.11 H new ATOM 0 HG11 VAL A 88 5.974 7.431 0.026 1.00 52.53 H new ATOM 0 HG12 VAL A 88 5.606 7.447 -1.715 1.00 52.53 H new ATOM 0 HG13 VAL A 88 4.513 8.256 -0.567 1.00 52.53 H new ATOM 0 HG21 VAL A 88 4.645 6.040 1.571 1.00 71.22 H new ATOM 0 HG22 VAL A 88 3.130 6.807 1.040 1.00 71.22 H new ATOM 0 HG23 VAL A 88 3.307 5.039 0.957 1.00 71.22 H new ATOM 1503 N ALA A 89 3.212 6.655 -3.932 1.00 22.24 N ATOM 1504 CA ALA A 89 3.625 6.610 -5.321 1.00 13.03 C ATOM 1505 C ALA A 89 4.818 7.521 -5.559 1.00 20.03 C ATOM 1506 O ALA A 89 4.697 8.751 -5.518 1.00 61.43 O ATOM 1507 CB ALA A 89 2.471 6.987 -6.237 1.00 64.51 C ATOM 0 H ALA A 89 2.417 7.267 -3.749 1.00 22.24 H new ATOM 0 HA ALA A 89 3.926 5.588 -5.553 1.00 13.03 H new ATOM 0 HB1 ALA A 89 2.802 6.947 -7.275 1.00 64.51 H new ATOM 0 HB2 ALA A 89 1.648 6.288 -6.092 1.00 64.51 H new ATOM 0 HB3 ALA A 89 2.135 7.997 -6.002 1.00 64.51 H new ATOM 1513 N LYS A 90 5.965 6.906 -5.790 1.00 23.55 N ATOM 1514 CA LYS A 90 7.195 7.631 -6.059 1.00 22.43 C ATOM 1515 C LYS A 90 7.291 7.923 -7.550 1.00 63.14 C ATOM 1516 O LYS A 90 6.455 7.468 -8.331 1.00 62.13 O ATOM 1517 CB LYS A 90 8.406 6.801 -5.620 1.00 43.41 C ATOM 1518 CG LYS A 90 8.306 6.247 -4.207 1.00 4.01 C ATOM 1519 CD LYS A 90 8.542 7.316 -3.153 1.00 15.25 C ATOM 1520 CE LYS A 90 8.478 6.728 -1.750 1.00 73.31 C ATOM 1521 NZ LYS A 90 9.406 5.576 -1.585 1.00 21.52 N ATOM 0 H LYS A 90 6.070 5.891 -5.796 1.00 23.55 H new ATOM 0 HA LYS A 90 7.188 8.566 -5.499 1.00 22.43 H new ATOM 0 HB2 LYS A 90 8.534 5.971 -6.315 1.00 43.41 H new ATOM 0 HB3 LYS A 90 9.301 7.419 -5.693 1.00 43.41 H new ATOM 0 HG2 LYS A 90 7.320 5.806 -4.060 1.00 4.01 H new ATOM 0 HG3 LYS A 90 9.035 5.447 -4.080 1.00 4.01 H new ATOM 0 HD2 LYS A 90 9.516 7.779 -3.312 1.00 15.25 H new ATOM 0 HD3 LYS A 90 7.795 8.103 -3.255 1.00 15.25 H new ATOM 0 HE2 LYS A 90 8.726 7.500 -1.022 1.00 73.31 H new ATOM 0 HE3 LYS A 90 7.459 6.405 -1.538 1.00 73.31 H new ATOM 0 HZ1 LYS A 90 9.803 5.585 -0.624 1.00 21.52 H new ATOM 0 HZ2 LYS A 90 8.887 4.688 -1.737 1.00 21.52 H new ATOM 0 HZ3 LYS A 90 10.177 5.649 -2.279 1.00 21.52 H new ATOM 1535 N LYS A 91 8.300 8.679 -7.951 1.00 24.54 N ATOM 1536 CA LYS A 91 8.514 8.927 -9.365 1.00 22.52 C ATOM 1537 C LYS A 91 9.062 7.670 -10.025 1.00 13.12 C ATOM 1538 O LYS A 91 9.614 6.793 -9.354 1.00 10.15 O ATOM 1539 CB LYS A 91 9.437 10.128 -9.591 1.00 72.12 C ATOM 1540 CG LYS A 91 10.813 9.994 -8.965 1.00 71.31 C ATOM 1541 CD LYS A 91 11.620 11.263 -9.175 1.00 14.01 C ATOM 1542 CE LYS A 91 13.030 11.127 -8.636 1.00 34.14 C ATOM 1543 NZ LYS A 91 13.826 12.356 -8.877 1.00 65.22 N ATOM 0 H LYS A 91 8.973 9.125 -7.328 1.00 24.54 H new ATOM 0 HA LYS A 91 7.558 9.176 -9.826 1.00 22.52 H new ATOM 0 HB2 LYS A 91 9.554 10.283 -10.664 1.00 72.12 H new ATOM 0 HB3 LYS A 91 8.955 11.020 -9.191 1.00 72.12 H new ATOM 0 HG2 LYS A 91 10.715 9.791 -7.899 1.00 71.31 H new ATOM 0 HG3 LYS A 91 11.338 9.146 -9.405 1.00 71.31 H new ATOM 0 HD2 LYS A 91 11.658 11.498 -10.239 1.00 14.01 H new ATOM 0 HD3 LYS A 91 11.121 12.097 -8.682 1.00 14.01 H new ATOM 0 HE2 LYS A 91 12.993 10.920 -7.566 1.00 34.14 H new ATOM 0 HE3 LYS A 91 13.521 10.276 -9.109 1.00 34.14 H new ATOM 0 HZ1 LYS A 91 14.785 12.229 -8.496 1.00 65.22 H new ATOM 0 HZ2 LYS A 91 13.881 12.539 -9.899 1.00 65.22 H new ATOM 0 HZ3 LYS A 91 13.370 13.163 -8.405 1.00 65.22 H new ATOM 1557 N GLY A 92 8.891 7.575 -11.331 1.00 33.33 N ATOM 1558 CA GLY A 92 9.229 6.358 -12.030 1.00 62.44 C ATOM 1559 C GLY A 92 7.988 5.594 -12.439 1.00 62.32 C ATOM 1560 O GLY A 92 8.021 4.788 -13.371 1.00 3.00 O ATOM 0 H GLY A 92 8.523 8.321 -11.921 1.00 33.33 H new ATOM 0 HA2 GLY A 92 9.819 6.597 -12.915 1.00 62.44 H new ATOM 0 HA3 GLY A 92 9.851 5.730 -11.392 1.00 62.44 H new ATOM 1564 N VAL A 93 6.884 5.843 -11.735 1.00 60.34 N ATOM 1565 CA VAL A 93 5.608 5.227 -12.079 1.00 51.24 C ATOM 1566 C VAL A 93 5.021 5.885 -13.324 1.00 31.32 C ATOM 1567 O VAL A 93 4.357 5.231 -14.131 1.00 41.13 O ATOM 1568 CB VAL A 93 4.586 5.298 -10.918 1.00 53.00 C ATOM 1569 CG1 VAL A 93 5.099 4.543 -9.701 1.00 4.32 C ATOM 1570 CG2 VAL A 93 4.258 6.742 -10.554 1.00 12.31 C ATOM 0 H VAL A 93 6.850 6.465 -10.927 1.00 60.34 H new ATOM 0 HA VAL A 93 5.807 4.174 -12.278 1.00 51.24 H new ATOM 0 HB VAL A 93 3.666 4.822 -11.258 1.00 53.00 H new ATOM 0 HG11 VAL A 93 4.365 4.606 -8.898 1.00 4.32 H new ATOM 0 HG12 VAL A 93 5.261 3.497 -9.963 1.00 4.32 H new ATOM 0 HG13 VAL A 93 6.039 4.984 -9.369 1.00 4.32 H new ATOM 0 HG21 VAL A 93 3.538 6.756 -9.736 1.00 12.31 H new ATOM 0 HG22 VAL A 93 5.169 7.255 -10.245 1.00 12.31 H new ATOM 0 HG23 VAL A 93 3.833 7.248 -11.421 1.00 12.31 H new ATOM 1580 N ALA A 94 5.295 7.177 -13.486 1.00 61.24 N ATOM 1581 CA ALA A 94 4.866 7.915 -14.666 1.00 2.22 C ATOM 1582 C ALA A 94 5.824 7.644 -15.819 1.00 62.11 C ATOM 1583 O ALA A 94 6.516 8.542 -16.303 1.00 74.34 O ATOM 1584 CB ALA A 94 4.782 9.406 -14.364 1.00 10.21 C ATOM 0 H ALA A 94 5.815 7.735 -12.809 1.00 61.24 H new ATOM 0 HA ALA A 94 3.870 7.578 -14.954 1.00 2.22 H new ATOM 0 HB1 ALA A 94 4.460 9.941 -15.258 1.00 10.21 H new ATOM 0 HB2 ALA A 94 4.064 9.575 -13.562 1.00 10.21 H new ATOM 0 HB3 ALA A 94 5.762 9.771 -14.056 1.00 10.21 H new ATOM 1590 N ASP A 95 5.855 6.388 -16.235 1.00 54.25 N ATOM 1591 CA ASP A 95 6.805 5.912 -17.231 1.00 52.11 C ATOM 1592 C ASP A 95 6.498 4.459 -17.572 1.00 60.43 C ATOM 1593 O ASP A 95 6.799 3.984 -18.665 1.00 62.43 O ATOM 1594 CB ASP A 95 8.237 6.022 -16.686 1.00 51.31 C ATOM 1595 CG ASP A 95 9.301 5.759 -17.737 1.00 34.14 C ATOM 1596 OD1 ASP A 95 9.561 4.580 -18.055 1.00 54.32 O ATOM 1597 OD2 ASP A 95 9.906 6.738 -18.228 1.00 31.42 O ATOM 0 H ASP A 95 5.221 5.667 -15.891 1.00 54.25 H new ATOM 0 HA ASP A 95 6.719 6.524 -18.129 1.00 52.11 H new ATOM 0 HB2 ASP A 95 8.385 7.019 -16.271 1.00 51.31 H new ATOM 0 HB3 ASP A 95 8.362 5.314 -15.867 1.00 51.31 H new ATOM 1602 N LEU A 96 5.881 3.764 -16.617 1.00 50.31 N ATOM 1603 CA LEU A 96 5.574 2.346 -16.758 1.00 11.32 C ATOM 1604 C LEU A 96 4.676 2.076 -17.960 1.00 71.35 C ATOM 1605 O LEU A 96 3.524 2.516 -18.011 1.00 13.42 O ATOM 1606 CB LEU A 96 4.913 1.818 -15.485 1.00 32.32 C ATOM 1607 CG LEU A 96 5.748 1.967 -14.212 1.00 3.21 C ATOM 1608 CD1 LEU A 96 4.989 1.421 -13.012 1.00 55.42 C ATOM 1609 CD2 LEU A 96 7.090 1.266 -14.367 1.00 3.22 C ATOM 0 H LEU A 96 5.582 4.168 -15.729 1.00 50.31 H new ATOM 0 HA LEU A 96 6.516 1.823 -16.922 1.00 11.32 H new ATOM 0 HB2 LEU A 96 3.966 2.338 -15.343 1.00 32.32 H new ATOM 0 HB3 LEU A 96 4.679 0.763 -15.626 1.00 32.32 H new ATOM 0 HG LEU A 96 5.937 3.027 -14.044 1.00 3.21 H new ATOM 0 HD11 LEU A 96 5.597 1.535 -12.114 1.00 55.42 H new ATOM 0 HD12 LEU A 96 4.056 1.971 -12.890 1.00 55.42 H new ATOM 0 HD13 LEU A 96 4.769 0.365 -13.170 1.00 55.42 H new ATOM 0 HD21 LEU A 96 7.670 1.383 -13.451 1.00 3.22 H new ATOM 0 HD22 LEU A 96 6.927 0.206 -14.560 1.00 3.22 H new ATOM 0 HD23 LEU A 96 7.636 1.706 -15.201 1.00 3.22 H new ATOM 1621 N ASP A 97 5.227 1.351 -18.924 1.00 42.31 N ATOM 1622 CA ASP A 97 4.498 0.935 -20.120 1.00 63.02 C ATOM 1623 C ASP A 97 3.315 0.040 -19.743 1.00 32.22 C ATOM 1624 O ASP A 97 3.251 -0.469 -18.621 1.00 54.43 O ATOM 1625 CB ASP A 97 5.456 0.188 -21.063 1.00 70.15 C ATOM 1626 CG ASP A 97 4.780 -0.350 -22.309 1.00 54.22 C ATOM 1627 OD1 ASP A 97 4.716 0.376 -23.321 1.00 44.43 O ATOM 1628 OD2 ASP A 97 4.305 -1.504 -22.280 1.00 33.50 O ATOM 0 H ASP A 97 6.196 1.032 -18.901 1.00 42.31 H new ATOM 0 HA ASP A 97 4.106 1.817 -20.627 1.00 63.02 H new ATOM 0 HB2 ASP A 97 6.261 0.861 -21.358 1.00 70.15 H new ATOM 0 HB3 ASP A 97 5.914 -0.640 -20.522 1.00 70.15 H new ATOM 1633 N ASN A 98 2.378 -0.139 -20.676 1.00 71.43 N ATOM 1634 CA ASN A 98 1.226 -1.015 -20.461 1.00 62.52 C ATOM 1635 C ASN A 98 1.663 -2.389 -19.970 1.00 34.13 C ATOM 1636 O ASN A 98 1.023 -2.979 -19.100 1.00 33.54 O ATOM 1637 CB ASN A 98 0.405 -1.178 -21.745 1.00 41.53 C ATOM 1638 CG ASN A 98 -0.444 0.037 -22.064 1.00 73.20 C ATOM 1639 OD1 ASN A 98 -1.541 0.192 -21.535 1.00 14.32 O ATOM 1640 ND2 ASN A 98 0.032 0.887 -22.959 1.00 54.01 N ATOM 0 H ASN A 98 2.395 0.313 -21.590 1.00 71.43 H new ATOM 0 HA ASN A 98 0.606 -0.543 -19.699 1.00 62.52 H new ATOM 0 HB2 ASN A 98 1.080 -1.372 -22.579 1.00 41.53 H new ATOM 0 HB3 ASN A 98 -0.241 -2.051 -21.648 1.00 41.53 H new ATOM 0 HD21 ASN A 98 -0.517 1.703 -23.230 1.00 54.01 H new ATOM 0 HD22 ASN A 98 0.948 0.726 -23.378 1.00 54.01 H new ATOM 1647 N ARG A 99 2.760 -2.892 -20.524 1.00 2.00 N ATOM 1648 CA ARG A 99 3.304 -4.178 -20.105 1.00 43.31 C ATOM 1649 C ARG A 99 3.795 -4.106 -18.664 1.00 55.13 C ATOM 1650 O ARG A 99 3.451 -4.951 -17.838 1.00 64.24 O ATOM 1651 CB ARG A 99 4.458 -4.603 -21.017 1.00 54.34 C ATOM 1652 CG ARG A 99 5.186 -5.844 -20.524 1.00 72.25 C ATOM 1653 CD ARG A 99 6.438 -6.132 -21.335 1.00 30.11 C ATOM 1654 NE ARG A 99 6.132 -6.675 -22.654 1.00 4.02 N ATOM 1655 CZ ARG A 99 6.807 -7.681 -23.213 1.00 12.14 C ATOM 1656 NH1 ARG A 99 7.805 -8.268 -22.554 1.00 12.42 N ATOM 1657 NH2 ARG A 99 6.481 -8.103 -24.424 1.00 60.55 N ATOM 0 H ARG A 99 3.289 -2.430 -21.263 1.00 2.00 H new ATOM 0 HA ARG A 99 2.507 -4.918 -20.176 1.00 43.31 H new ATOM 0 HB2 ARG A 99 4.071 -4.791 -22.018 1.00 54.34 H new ATOM 0 HB3 ARG A 99 5.169 -3.781 -21.099 1.00 54.34 H new ATOM 0 HG2 ARG A 99 5.456 -5.713 -19.476 1.00 72.25 H new ATOM 0 HG3 ARG A 99 4.516 -6.702 -20.576 1.00 72.25 H new ATOM 0 HD2 ARG A 99 7.014 -5.214 -21.448 1.00 30.11 H new ATOM 0 HD3 ARG A 99 7.066 -6.838 -20.791 1.00 30.11 H new ATOM 0 HE ARG A 99 5.360 -6.263 -23.178 1.00 4.02 H new ATOM 0 HH11 ARG A 99 8.056 -7.949 -21.618 1.00 12.42 H new ATOM 0 HH12 ARG A 99 8.318 -9.037 -22.985 1.00 12.42 H new ATOM 0 HH21 ARG A 99 5.714 -7.659 -24.929 1.00 60.55 H new ATOM 0 HH22 ARG A 99 6.997 -8.872 -24.852 1.00 60.55 H new ATOM 1671 N ALA A 100 4.577 -3.073 -18.371 1.00 34.23 N ATOM 1672 CA ALA A 100 5.195 -2.910 -17.060 1.00 52.14 C ATOM 1673 C ALA A 100 4.148 -2.841 -15.954 1.00 41.03 C ATOM 1674 O ALA A 100 4.375 -3.321 -14.848 1.00 70.42 O ATOM 1675 CB ALA A 100 6.074 -1.668 -17.039 1.00 3.43 C ATOM 0 H ALA A 100 4.800 -2.328 -19.032 1.00 34.23 H new ATOM 0 HA ALA A 100 5.817 -3.785 -16.874 1.00 52.14 H new ATOM 0 HB1 ALA A 100 6.528 -1.560 -16.054 1.00 3.43 H new ATOM 0 HB2 ALA A 100 6.857 -1.764 -17.791 1.00 3.43 H new ATOM 0 HB3 ALA A 100 5.467 -0.789 -17.257 1.00 3.43 H new ATOM 1681 N LEU A 101 2.999 -2.249 -16.263 1.00 33.34 N ATOM 1682 CA LEU A 101 1.895 -2.173 -15.311 1.00 45.51 C ATOM 1683 C LEU A 101 1.417 -3.571 -14.924 1.00 23.44 C ATOM 1684 O LEU A 101 1.215 -3.872 -13.748 1.00 44.35 O ATOM 1685 CB LEU A 101 0.729 -1.381 -15.910 1.00 44.12 C ATOM 1686 CG LEU A 101 1.029 0.082 -16.252 1.00 12.31 C ATOM 1687 CD1 LEU A 101 -0.156 0.717 -16.967 1.00 22.22 C ATOM 1688 CD2 LEU A 101 1.369 0.866 -14.993 1.00 73.41 C ATOM 0 H LEU A 101 2.807 -1.814 -17.166 1.00 33.34 H new ATOM 0 HA LEU A 101 2.255 -1.663 -14.417 1.00 45.51 H new ATOM 0 HB2 LEU A 101 0.398 -1.887 -16.817 1.00 44.12 H new ATOM 0 HB3 LEU A 101 -0.104 -1.408 -15.207 1.00 44.12 H new ATOM 0 HG LEU A 101 1.891 0.108 -16.919 1.00 12.31 H new ATOM 0 HD11 LEU A 101 0.075 1.756 -17.202 1.00 22.22 H new ATOM 0 HD12 LEU A 101 -0.359 0.173 -17.889 1.00 22.22 H new ATOM 0 HD13 LEU A 101 -1.034 0.678 -16.322 1.00 22.22 H new ATOM 0 HD21 LEU A 101 1.579 1.903 -15.256 1.00 73.41 H new ATOM 0 HD22 LEU A 101 0.526 0.830 -14.303 1.00 73.41 H new ATOM 0 HD23 LEU A 101 2.246 0.427 -14.517 1.00 73.41 H new ATOM 1700 N SER A 102 1.260 -4.426 -15.923 1.00 31.14 N ATOM 1701 CA SER A 102 0.776 -5.780 -15.711 1.00 74.31 C ATOM 1702 C SER A 102 1.821 -6.628 -14.982 1.00 63.23 C ATOM 1703 O SER A 102 1.484 -7.436 -14.113 1.00 0.10 O ATOM 1704 CB SER A 102 0.414 -6.412 -17.063 1.00 61.41 C ATOM 1705 OG SER A 102 -0.075 -7.737 -16.916 1.00 14.33 O ATOM 0 H SER A 102 1.463 -4.202 -16.897 1.00 31.14 H new ATOM 0 HA SER A 102 -0.114 -5.741 -15.083 1.00 74.31 H new ATOM 0 HB2 SER A 102 -0.339 -5.800 -17.559 1.00 61.41 H new ATOM 0 HB3 SER A 102 1.293 -6.419 -17.707 1.00 61.41 H new ATOM 0 HG SER A 102 -0.296 -8.104 -17.798 1.00 14.33 H new ATOM 1711 N GLU A 103 3.091 -6.426 -15.322 1.00 74.22 N ATOM 1712 CA GLU A 103 4.175 -7.214 -14.735 1.00 1.43 C ATOM 1713 C GLU A 103 4.499 -6.741 -13.320 1.00 71.12 C ATOM 1714 O GLU A 103 5.144 -7.452 -12.550 1.00 3.44 O ATOM 1715 CB GLU A 103 5.427 -7.144 -15.612 1.00 34.30 C ATOM 1716 CG GLU A 103 5.161 -7.506 -17.061 1.00 31.14 C ATOM 1717 CD GLU A 103 6.427 -7.742 -17.856 1.00 74.42 C ATOM 1718 OE1 GLU A 103 7.193 -6.779 -18.076 1.00 31.23 O ATOM 1719 OE2 GLU A 103 6.651 -8.896 -18.282 1.00 4.22 O ATOM 0 H GLU A 103 3.396 -5.726 -15.999 1.00 74.22 H new ATOM 0 HA GLU A 103 3.840 -8.250 -14.680 1.00 1.43 H new ATOM 0 HB2 GLU A 103 5.840 -6.136 -15.566 1.00 34.30 H new ATOM 0 HB3 GLU A 103 6.184 -7.817 -15.209 1.00 34.30 H new ATOM 0 HG2 GLU A 103 4.544 -8.403 -17.098 1.00 31.14 H new ATOM 0 HG3 GLU A 103 4.588 -6.706 -17.530 1.00 31.14 H new ATOM 1726 N ALA A 104 4.051 -5.540 -12.981 1.00 64.53 N ATOM 1727 CA ALA A 104 4.264 -5.002 -11.645 1.00 14.41 C ATOM 1728 C ALA A 104 3.186 -5.490 -10.688 1.00 71.25 C ATOM 1729 O ALA A 104 3.432 -5.647 -9.491 1.00 50.11 O ATOM 1730 CB ALA A 104 4.285 -3.481 -11.680 1.00 31.24 C ATOM 0 H ALA A 104 3.539 -4.922 -13.611 1.00 64.53 H new ATOM 0 HA ALA A 104 5.230 -5.358 -11.287 1.00 14.41 H new ATOM 0 HB1 ALA A 104 4.445 -3.096 -10.673 1.00 31.24 H new ATOM 0 HB2 ALA A 104 5.092 -3.143 -12.330 1.00 31.24 H new ATOM 0 HB3 ALA A 104 3.333 -3.113 -12.062 1.00 31.24 H new ATOM 1736 N LEU A 105 1.997 -5.743 -11.228 1.00 24.21 N ATOM 1737 CA LEU A 105 0.856 -6.175 -10.426 1.00 0.05 C ATOM 1738 C LEU A 105 1.190 -7.454 -9.663 1.00 73.41 C ATOM 1739 O LEU A 105 0.914 -7.566 -8.466 1.00 50.32 O ATOM 1740 CB LEU A 105 -0.368 -6.389 -11.333 1.00 33.33 C ATOM 1741 CG LEU A 105 -1.740 -6.453 -10.633 1.00 41.41 C ATOM 1742 CD1 LEU A 105 -2.860 -6.297 -11.649 1.00 45.03 C ATOM 1743 CD2 LEU A 105 -1.929 -7.763 -9.880 1.00 11.02 C ATOM 0 H LEU A 105 1.798 -5.655 -12.225 1.00 24.21 H new ATOM 0 HA LEU A 105 0.623 -5.398 -9.698 1.00 0.05 H new ATOM 0 HB2 LEU A 105 -0.396 -5.582 -12.065 1.00 33.33 H new ATOM 0 HB3 LEU A 105 -0.224 -7.317 -11.887 1.00 33.33 H new ATOM 0 HG LEU A 105 -1.773 -5.634 -9.915 1.00 41.41 H new ATOM 0 HD11 LEU A 105 -3.823 -6.344 -11.140 1.00 45.03 H new ATOM 0 HD12 LEU A 105 -2.763 -5.335 -12.153 1.00 45.03 H new ATOM 0 HD13 LEU A 105 -2.799 -7.099 -12.384 1.00 45.03 H new ATOM 0 HD21 LEU A 105 -2.908 -7.769 -9.401 1.00 11.02 H new ATOM 0 HD22 LEU A 105 -1.862 -8.597 -10.578 1.00 11.02 H new ATOM 0 HD23 LEU A 105 -1.153 -7.862 -9.121 1.00 11.02 H new ATOM 1755 N GLU A 106 1.805 -8.407 -10.353 1.00 54.43 N ATOM 1756 CA GLU A 106 2.135 -9.685 -9.741 1.00 4.12 C ATOM 1757 C GLU A 106 3.135 -9.508 -8.604 1.00 34.43 C ATOM 1758 O GLU A 106 3.098 -10.246 -7.628 1.00 22.35 O ATOM 1759 CB GLU A 106 2.695 -10.668 -10.772 1.00 10.14 C ATOM 1760 CG GLU A 106 3.984 -10.206 -11.429 1.00 74.44 C ATOM 1761 CD GLU A 106 4.723 -11.340 -12.101 1.00 33.41 C ATOM 1762 OE1 GLU A 106 4.309 -11.755 -13.201 1.00 3.34 O ATOM 1763 OE2 GLU A 106 5.714 -11.834 -11.519 1.00 40.32 O ATOM 0 H GLU A 106 2.083 -8.319 -11.330 1.00 54.43 H new ATOM 0 HA GLU A 106 1.210 -10.095 -9.336 1.00 4.12 H new ATOM 0 HB2 GLU A 106 2.871 -11.628 -10.286 1.00 10.14 H new ATOM 0 HB3 GLU A 106 1.945 -10.835 -11.545 1.00 10.14 H new ATOM 0 HG2 GLU A 106 3.758 -9.435 -12.166 1.00 74.44 H new ATOM 0 HG3 GLU A 106 4.629 -9.749 -10.678 1.00 74.44 H new ATOM 1770 N LYS A 107 4.015 -8.515 -8.722 1.00 52.12 N ATOM 1771 CA LYS A 107 5.031 -8.272 -7.702 1.00 25.33 C ATOM 1772 C LYS A 107 4.372 -7.865 -6.388 1.00 71.33 C ATOM 1773 O LYS A 107 4.857 -8.198 -5.305 1.00 71.05 O ATOM 1774 CB LYS A 107 6.018 -7.193 -8.166 1.00 72.32 C ATOM 1775 CG LYS A 107 6.701 -7.521 -9.489 1.00 33.41 C ATOM 1776 CD LYS A 107 7.514 -8.808 -9.408 1.00 31.51 C ATOM 1777 CE LYS A 107 8.774 -8.635 -8.572 1.00 20.23 C ATOM 1778 NZ LYS A 107 9.760 -7.727 -9.216 1.00 20.22 N ATOM 0 H LYS A 107 4.044 -7.869 -9.511 1.00 52.12 H new ATOM 0 HA LYS A 107 5.588 -9.195 -7.542 1.00 25.33 H new ATOM 0 HB2 LYS A 107 5.488 -6.246 -8.265 1.00 72.32 H new ATOM 0 HB3 LYS A 107 6.779 -7.054 -7.398 1.00 72.32 H new ATOM 0 HG2 LYS A 107 5.948 -7.616 -10.272 1.00 33.41 H new ATOM 0 HG3 LYS A 107 7.355 -6.697 -9.774 1.00 33.41 H new ATOM 0 HD2 LYS A 107 6.899 -9.599 -8.978 1.00 31.51 H new ATOM 0 HD3 LYS A 107 7.787 -9.128 -10.413 1.00 31.51 H new ATOM 0 HE2 LYS A 107 8.506 -8.240 -7.592 1.00 20.23 H new ATOM 0 HE3 LYS A 107 9.234 -9.609 -8.407 1.00 20.23 H new ATOM 0 HZ1 LYS A 107 10.681 -7.822 -8.742 1.00 20.22 H new ATOM 0 HZ2 LYS A 107 9.859 -7.979 -10.220 1.00 20.22 H new ATOM 0 HZ3 LYS A 107 9.430 -6.744 -9.137 1.00 20.22 H new ATOM 1792 N LEU A 108 3.252 -7.161 -6.495 1.00 41.23 N ATOM 1793 CA LEU A 108 2.468 -6.788 -5.327 1.00 33.32 C ATOM 1794 C LEU A 108 1.763 -8.011 -4.756 1.00 72.24 C ATOM 1795 O LEU A 108 1.702 -8.194 -3.539 1.00 61.22 O ATOM 1796 CB LEU A 108 1.440 -5.707 -5.678 1.00 24.42 C ATOM 1797 CG LEU A 108 1.956 -4.263 -5.673 1.00 1.32 C ATOM 1798 CD1 LEU A 108 3.041 -4.053 -6.720 1.00 24.14 C ATOM 1799 CD2 LEU A 108 0.805 -3.296 -5.901 1.00 51.31 C ATOM 0 H LEU A 108 2.866 -6.837 -7.382 1.00 41.23 H new ATOM 0 HA LEU A 108 3.148 -6.384 -4.577 1.00 33.32 H new ATOM 0 HB2 LEU A 108 1.037 -5.924 -6.667 1.00 24.42 H new ATOM 0 HB3 LEU A 108 0.612 -5.778 -4.973 1.00 24.42 H new ATOM 0 HG LEU A 108 2.398 -4.068 -4.696 1.00 1.32 H new ATOM 0 HD11 LEU A 108 3.383 -3.018 -6.687 1.00 24.14 H new ATOM 0 HD12 LEU A 108 3.879 -4.719 -6.514 1.00 24.14 H new ATOM 0 HD13 LEU A 108 2.639 -4.271 -7.709 1.00 24.14 H new ATOM 0 HD21 LEU A 108 1.182 -2.273 -5.896 1.00 51.31 H new ATOM 0 HD22 LEU A 108 0.339 -3.506 -6.864 1.00 51.31 H new ATOM 0 HD23 LEU A 108 0.067 -3.415 -5.107 1.00 51.31 H new ATOM 1811 N TRP A 109 1.238 -8.849 -5.644 1.00 43.25 N ATOM 1812 CA TRP A 109 0.551 -10.070 -5.238 1.00 52.44 C ATOM 1813 C TRP A 109 1.514 -11.050 -4.571 1.00 73.10 C ATOM 1814 O TRP A 109 1.185 -11.652 -3.550 1.00 15.14 O ATOM 1815 CB TRP A 109 -0.131 -10.735 -6.440 1.00 44.54 C ATOM 1816 CG TRP A 109 -0.708 -12.086 -6.128 1.00 4.34 C ATOM 1817 CD1 TRP A 109 -0.440 -13.264 -6.769 1.00 53.25 C ATOM 1818 CD2 TRP A 109 -1.638 -12.401 -5.084 1.00 12.11 C ATOM 1819 NE1 TRP A 109 -1.152 -14.288 -6.193 1.00 43.10 N ATOM 1820 CE2 TRP A 109 -1.892 -13.786 -5.155 1.00 10.44 C ATOM 1821 CE3 TRP A 109 -2.282 -11.651 -4.095 1.00 54.54 C ATOM 1822 CZ2 TRP A 109 -2.763 -14.428 -4.280 1.00 10.14 C ATOM 1823 CZ3 TRP A 109 -3.143 -12.293 -3.225 1.00 33.41 C ATOM 1824 CH2 TRP A 109 -3.375 -13.668 -3.322 1.00 32.44 C ATOM 0 H TRP A 109 1.275 -8.704 -6.653 1.00 43.25 H new ATOM 0 HA TRP A 109 -0.213 -9.793 -4.511 1.00 52.44 H new ATOM 0 HB2 TRP A 109 -0.926 -10.084 -6.803 1.00 44.54 H new ATOM 0 HB3 TRP A 109 0.593 -10.835 -7.249 1.00 44.54 H new ATOM 0 HD1 TRP A 109 0.233 -13.373 -7.606 1.00 53.25 H new ATOM 0 HE1 TRP A 109 -1.133 -15.264 -6.490 1.00 43.10 H new ATOM 0 HE3 TRP A 109 -2.110 -10.588 -4.012 1.00 54.54 H new ATOM 0 HZ2 TRP A 109 -2.949 -15.489 -4.355 1.00 10.14 H new ATOM 0 HZ3 TRP A 109 -3.645 -11.723 -2.457 1.00 33.41 H new ATOM 0 HH2 TRP A 109 -4.052 -14.140 -2.626 1.00 32.44 H new ATOM 1835 N ARG A 110 2.703 -11.183 -5.143 1.00 1.23 N ATOM 1836 CA ARG A 110 3.721 -12.094 -4.625 1.00 22.13 C ATOM 1837 C ARG A 110 4.094 -11.744 -3.183 1.00 43.11 C ATOM 1838 O ARG A 110 4.467 -12.616 -2.398 1.00 22.51 O ATOM 1839 CB ARG A 110 4.952 -12.065 -5.538 1.00 51.44 C ATOM 1840 CG ARG A 110 4.702 -12.730 -6.888 1.00 23.22 C ATOM 1841 CD ARG A 110 5.696 -12.280 -7.949 1.00 13.53 C ATOM 1842 NE ARG A 110 7.072 -12.639 -7.627 1.00 25.32 N ATOM 1843 CZ ARG A 110 8.054 -12.687 -8.526 1.00 44.44 C ATOM 1844 NH1 ARG A 110 7.816 -12.414 -9.806 1.00 4.40 N ATOM 1845 NH2 ARG A 110 9.282 -13.001 -8.146 1.00 24.21 N ATOM 0 H ARG A 110 2.990 -10.667 -5.974 1.00 1.23 H new ATOM 0 HA ARG A 110 3.315 -13.105 -4.616 1.00 22.13 H new ATOM 0 HB2 ARG A 110 5.256 -11.030 -5.698 1.00 51.44 H new ATOM 0 HB3 ARG A 110 5.781 -12.567 -5.039 1.00 51.44 H new ATOM 0 HG2 ARG A 110 4.762 -13.812 -6.774 1.00 23.22 H new ATOM 0 HG3 ARG A 110 3.690 -12.500 -7.221 1.00 23.22 H new ATOM 0 HD2 ARG A 110 5.424 -12.725 -8.906 1.00 13.53 H new ATOM 0 HD3 ARG A 110 5.627 -11.199 -8.069 1.00 13.53 H new ATOM 0 HE ARG A 110 7.296 -12.866 -6.658 1.00 25.32 H new ATOM 0 HH11 ARG A 110 6.874 -12.165 -10.108 1.00 4.40 H new ATOM 0 HH12 ARG A 110 8.575 -12.454 -10.486 1.00 4.40 H new ATOM 0 HH21 ARG A 110 9.476 -13.206 -7.166 1.00 24.21 H new ATOM 0 HH22 ARG A 110 10.035 -13.038 -8.833 1.00 24.21 H new ATOM 1859 N ARG A 111 3.968 -10.470 -2.831 1.00 23.33 N ATOM 1860 CA ARG A 111 4.204 -10.030 -1.462 1.00 55.54 C ATOM 1861 C ARG A 111 2.929 -10.178 -0.626 1.00 4.25 C ATOM 1862 O ARG A 111 2.982 -10.546 0.548 1.00 64.45 O ATOM 1863 CB ARG A 111 4.691 -8.576 -1.451 1.00 53.13 C ATOM 1864 CG ARG A 111 4.991 -8.025 -0.062 1.00 14.00 C ATOM 1865 CD ARG A 111 6.145 -8.756 0.611 1.00 44.20 C ATOM 1866 NE ARG A 111 6.478 -8.158 1.907 1.00 20.14 N ATOM 1867 CZ ARG A 111 7.426 -8.617 2.728 1.00 11.01 C ATOM 1868 NH1 ARG A 111 8.131 -9.694 2.406 1.00 13.34 N ATOM 1869 NH2 ARG A 111 7.664 -7.995 3.876 1.00 52.24 N ATOM 0 H ARG A 111 3.704 -9.724 -3.475 1.00 23.33 H new ATOM 0 HA ARG A 111 4.977 -10.658 -1.020 1.00 55.54 H new ATOM 0 HB2 ARG A 111 5.592 -8.502 -2.061 1.00 53.13 H new ATOM 0 HB3 ARG A 111 3.935 -7.948 -1.922 1.00 53.13 H new ATOM 0 HG2 ARG A 111 5.230 -6.964 -0.138 1.00 14.00 H new ATOM 0 HG3 ARG A 111 4.099 -8.107 0.560 1.00 14.00 H new ATOM 0 HD2 ARG A 111 5.881 -9.804 0.750 1.00 44.20 H new ATOM 0 HD3 ARG A 111 7.020 -8.731 -0.038 1.00 44.20 H new ATOM 0 HE ARG A 111 5.950 -7.336 2.202 1.00 20.14 H new ATOM 0 HH11 ARG A 111 7.951 -10.177 1.526 1.00 13.34 H new ATOM 0 HH12 ARG A 111 8.853 -10.038 3.038 1.00 13.34 H new ATOM 0 HH21 ARG A 111 7.123 -7.168 4.130 1.00 52.24 H new ATOM 0 HH22 ARG A 111 8.388 -8.344 4.505 1.00 52.24 H new ATOM 1883 N HIS A 112 1.782 -9.902 -1.246 1.00 33.01 N ATOM 1884 CA HIS A 112 0.490 -9.991 -0.561 1.00 54.34 C ATOM 1885 C HIS A 112 0.190 -11.422 -0.129 1.00 74.21 C ATOM 1886 O HIS A 112 -0.236 -11.654 1.000 1.00 15.40 O ATOM 1887 CB HIS A 112 -0.650 -9.484 -1.456 1.00 30.51 C ATOM 1888 CG HIS A 112 -0.695 -7.993 -1.618 1.00 4.44 C ATOM 1889 ND1 HIS A 112 -1.449 -7.361 -2.587 1.00 32.45 N ATOM 1890 CD2 HIS A 112 -0.090 -7.005 -0.916 1.00 50.32 C ATOM 1891 CE1 HIS A 112 -1.304 -6.055 -2.475 1.00 34.20 C ATOM 1892 NE2 HIS A 112 -0.485 -5.811 -1.470 1.00 43.45 N ATOM 0 H HIS A 112 1.720 -9.614 -2.223 1.00 33.01 H new ATOM 0 HA HIS A 112 0.556 -9.359 0.324 1.00 54.34 H new ATOM 0 HB2 HIS A 112 -0.553 -9.941 -2.441 1.00 30.51 H new ATOM 0 HB3 HIS A 112 -1.599 -9.821 -1.040 1.00 30.51 H new ATOM 0 HD2 HIS A 112 0.578 -7.132 -0.077 1.00 50.32 H new ATOM 0 HE1 HIS A 112 -1.776 -5.311 -3.100 1.00 34.20 H new ATOM 0 HE2 HIS A 112 -0.192 -4.886 -1.155 1.00 43.45 H new ATOM 1901 N CYS A 113 0.426 -12.368 -1.032 1.00 75.32 N ATOM 1902 CA CYS A 113 0.145 -13.779 -0.780 1.00 45.22 C ATOM 1903 C CYS A 113 0.897 -14.279 0.452 1.00 25.00 C ATOM 1904 O CYS A 113 0.341 -14.994 1.286 1.00 71.11 O ATOM 1905 CB CYS A 113 0.523 -14.613 -2.010 1.00 62.03 C ATOM 1906 SG CYS A 113 0.165 -16.379 -1.857 1.00 2.12 S ATOM 0 H CYS A 113 0.816 -12.181 -1.956 1.00 75.32 H new ATOM 0 HA CYS A 113 -0.922 -13.888 -0.587 1.00 45.22 H new ATOM 0 HB2 CYS A 113 -0.009 -14.221 -2.877 1.00 62.03 H new ATOM 0 HB3 CYS A 113 1.588 -14.487 -2.206 1.00 62.03 H new ATOM 0 HG CYS A 113 0.520 -16.990 -2.948 1.00 2.12 H new ATOM 1912 N ARG A 114 2.155 -13.878 0.576 1.00 51.02 N ATOM 1913 CA ARG A 114 2.980 -14.292 1.700 1.00 42.13 C ATOM 1914 C ARG A 114 2.532 -13.614 2.990 1.00 25.15 C ATOM 1915 O ARG A 114 2.526 -14.230 4.053 1.00 43.43 O ATOM 1916 CB ARG A 114 4.451 -13.983 1.424 1.00 74.34 C ATOM 1917 CG ARG A 114 5.066 -14.880 0.360 1.00 52.45 C ATOM 1918 CD ARG A 114 5.118 -16.326 0.825 1.00 53.01 C ATOM 1919 NE ARG A 114 5.691 -17.211 -0.186 1.00 1.41 N ATOM 1920 CZ ARG A 114 6.713 -18.039 0.038 1.00 31.24 C ATOM 1921 NH1 ARG A 114 7.252 -18.127 1.248 1.00 32.41 N ATOM 1922 NH2 ARG A 114 7.181 -18.790 -0.948 1.00 21.10 N ATOM 0 H ARG A 114 2.626 -13.265 -0.090 1.00 51.02 H new ATOM 0 HA ARG A 114 2.863 -15.369 1.824 1.00 42.13 H new ATOM 0 HB2 ARG A 114 4.544 -12.943 1.110 1.00 74.34 H new ATOM 0 HB3 ARG A 114 5.017 -14.089 2.350 1.00 74.34 H new ATOM 0 HG2 ARG A 114 4.484 -14.811 -0.559 1.00 52.45 H new ATOM 0 HG3 ARG A 114 6.073 -14.534 0.126 1.00 52.45 H new ATOM 0 HD2 ARG A 114 5.709 -16.391 1.739 1.00 53.01 H new ATOM 0 HD3 ARG A 114 4.111 -16.663 1.072 1.00 53.01 H new ATOM 0 HE ARG A 114 5.285 -17.195 -1.121 1.00 1.41 H new ATOM 0 HH11 ARG A 114 6.885 -17.560 2.012 1.00 32.41 H new ATOM 0 HH12 ARG A 114 8.033 -18.762 1.413 1.00 32.41 H new ATOM 0 HH21 ARG A 114 6.760 -18.734 -1.875 1.00 21.10 H new ATOM 0 HH22 ARG A 114 7.962 -19.424 -0.780 1.00 21.10 H new ATOM 1936 N LEU A 115 2.136 -12.353 2.888 1.00 71.32 N ATOM 1937 CA LEU A 115 1.713 -11.587 4.056 1.00 5.41 C ATOM 1938 C LEU A 115 0.393 -12.128 4.608 1.00 3.30 C ATOM 1939 O LEU A 115 0.136 -12.072 5.810 1.00 14.33 O ATOM 1940 CB LEU A 115 1.562 -10.105 3.686 1.00 20.30 C ATOM 1941 CG LEU A 115 1.221 -9.166 4.845 1.00 63.33 C ATOM 1942 CD1 LEU A 115 2.352 -9.145 5.862 1.00 23.02 C ATOM 1943 CD2 LEU A 115 0.940 -7.764 4.327 1.00 62.31 C ATOM 0 H LEU A 115 2.098 -11.837 2.009 1.00 71.32 H new ATOM 0 HA LEU A 115 2.475 -11.686 4.829 1.00 5.41 H new ATOM 0 HB2 LEU A 115 2.492 -9.766 3.229 1.00 20.30 H new ATOM 0 HB3 LEU A 115 0.784 -10.016 2.928 1.00 20.30 H new ATOM 0 HG LEU A 115 0.322 -9.536 5.339 1.00 63.33 H new ATOM 0 HD11 LEU A 115 2.093 -8.472 6.680 1.00 23.02 H new ATOM 0 HD12 LEU A 115 2.507 -10.150 6.254 1.00 23.02 H new ATOM 0 HD13 LEU A 115 3.267 -8.797 5.382 1.00 23.02 H new ATOM 0 HD21 LEU A 115 0.699 -7.108 5.164 1.00 62.31 H new ATOM 0 HD22 LEU A 115 1.821 -7.384 3.810 1.00 62.31 H new ATOM 0 HD23 LEU A 115 0.098 -7.794 3.635 1.00 62.31 H new ATOM 1955 N ALA A 116 -0.429 -12.674 3.720 1.00 30.02 N ATOM 1956 CA ALA A 116 -1.755 -13.161 4.088 1.00 74.53 C ATOM 1957 C ALA A 116 -1.701 -14.525 4.772 1.00 64.51 C ATOM 1958 O ALA A 116 -2.664 -14.936 5.418 1.00 31.42 O ATOM 1959 CB ALA A 116 -2.641 -13.230 2.855 1.00 75.21 C ATOM 0 H ALA A 116 -0.199 -12.792 2.733 1.00 30.02 H new ATOM 0 HA ALA A 116 -2.175 -12.456 4.805 1.00 74.53 H new ATOM 0 HB1 ALA A 116 -3.629 -13.594 3.137 1.00 75.21 H new ATOM 0 HB2 ALA A 116 -2.732 -12.236 2.416 1.00 75.21 H new ATOM 0 HB3 ALA A 116 -2.198 -13.909 2.126 1.00 75.21 H new ATOM 1965 N ARG A 117 -0.583 -15.230 4.627 1.00 73.42 N ATOM 1966 CA ARG A 117 -0.461 -16.572 5.193 1.00 25.14 C ATOM 1967 C ARG A 117 0.622 -16.634 6.263 1.00 45.22 C ATOM 1968 O ARG A 117 0.573 -17.482 7.156 1.00 60.13 O ATOM 1969 CB ARG A 117 -0.156 -17.584 4.090 1.00 64.11 C ATOM 1970 CG ARG A 117 -1.236 -17.647 3.029 1.00 12.52 C ATOM 1971 CD ARG A 117 -0.905 -18.660 1.948 1.00 43.23 C ATOM 1972 NE ARG A 117 -1.842 -18.582 0.833 1.00 53.21 N ATOM 1973 CZ ARG A 117 -1.612 -19.088 -0.375 1.00 71.51 C ATOM 1974 NH1 ARG A 117 -0.534 -19.834 -0.594 1.00 11.42 N ATOM 1975 NH2 ARG A 117 -2.484 -18.870 -1.351 1.00 40.12 N ATOM 0 H ARG A 117 0.244 -14.900 4.128 1.00 73.42 H new ATOM 0 HA ARG A 117 -1.413 -16.820 5.662 1.00 25.14 H new ATOM 0 HB2 ARG A 117 0.793 -17.326 3.620 1.00 64.11 H new ATOM 0 HB3 ARG A 117 -0.033 -18.572 4.535 1.00 64.11 H new ATOM 0 HG2 ARG A 117 -2.187 -17.908 3.493 1.00 12.52 H new ATOM 0 HG3 ARG A 117 -1.361 -16.662 2.579 1.00 12.52 H new ATOM 0 HD2 ARG A 117 0.108 -18.487 1.585 1.00 43.23 H new ATOM 0 HD3 ARG A 117 -0.925 -19.664 2.371 1.00 43.23 H new ATOM 0 HE ARG A 117 -2.732 -18.108 0.990 1.00 53.21 H new ATOM 0 HH11 ARG A 117 0.120 -20.020 0.166 1.00 11.42 H new ATOM 0 HH12 ARG A 117 -0.361 -20.220 -1.522 1.00 11.42 H new ATOM 0 HH21 ARG A 117 -3.323 -18.318 -1.172 1.00 40.12 H new ATOM 0 HH22 ARG A 117 -2.316 -19.254 -2.281 1.00 40.12 H new