USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 685 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 29 LYS NZ :NH3+ -159:sc= -0.02 (180deg=-0.19) USER MOD Set 1.2: A 45 TYR OH : rot 1:sc= -7.64! USER MOD Set 2.1: A 33 ASN : amide:sc= -0.935 K(o=-1.1,f=-4!) USER MOD Set 2.2: A 37 GLN : amide:sc= -0.139 K(o=-1.1,f=-2.3!) USER MOD Set 3.1: A 24 THR OG1 : rot -115:sc= 1.3 USER MOD Set 3.2: A 27 ASN : amide:sc= -0.391 K(o=0.91,f=-10!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 35 TYR OH : rot 24:sc= -1.28 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.215 K(o=-0.22,f=-1.6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.491 USER MOD Single : A 48 THR OG1 : rot 129:sc= 0.0158 USER MOD Single : A 49 GLN : amide:sc= -0.842 X(o=-0.84,f=-0.82) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -8.41! C(o=-9.6!,f=-8.4!) USER MOD Single : A 55 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.0057) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -169:sc= -3.95 (180deg=-4.99!) USER MOD Single : A 63 THR OG1 : rot -85:sc= 0.397 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.00934 X(o=0.0093,f=-0.2) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.00026) USER MOD Single : A 82 LYS NZ :NH3+ 152:sc= 0.0772 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -141:sc= -1.21 (180deg=-1.67) USER MOD Single : A 87 GLN : amide:sc= -4.91! C(o=-4.9!,f=-9.6!) USER MOD Single : A 88 SER OG : rot 69:sc= 0.432 USER MOD Single : A 89 CYS SG : rot 60:sc= -4.64 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.042) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -5.2! C(o=-5.2!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 276 N TRP A 23 -1.784 -10.156 0.664 1.00 0.00 N ATOM 277 CA TRP A 23 -1.944 -8.807 0.149 1.00 0.00 C ATOM 278 C TRP A 23 -0.551 -8.242 -0.136 1.00 0.00 C ATOM 279 O TRP A 23 0.152 -7.822 0.782 1.00 0.00 O ATOM 280 CB TRP A 23 -2.753 -7.943 1.118 1.00 0.00 C ATOM 281 CG TRP A 23 -4.262 -8.187 1.059 1.00 0.00 C ATOM 282 CD1 TRP A 23 -5.082 -8.529 2.062 1.00 0.00 C ATOM 283 CD2 TRP A 23 -5.103 -8.094 -0.110 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.385 -8.663 1.627 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.398 -8.390 0.264 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.780 -7.770 -1.440 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.473 -8.391 -0.632 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.866 -7.776 -2.323 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.175 -8.072 -1.963 1.00 0.00 C ATOM 0 HA TRP A 23 -2.514 -8.813 -0.780 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.405 -8.131 2.134 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.557 -6.893 0.903 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.763 -8.681 3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.190 -8.916 2.200 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.774 -7.535 -1.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.478 -8.625 -0.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.673 -7.533 -3.358 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.959 -8.056 -2.706 1.00 0.00 H new ATOM 300 N THR A 24 -0.194 -8.250 -1.412 1.00 0.00 N ATOM 301 CA THR A 24 1.102 -7.743 -1.829 1.00 0.00 C ATOM 302 C THR A 24 0.971 -6.314 -2.359 1.00 0.00 C ATOM 303 O THR A 24 -0.032 -5.968 -2.981 1.00 0.00 O ATOM 304 CB THR A 24 1.684 -8.719 -2.854 1.00 0.00 C ATOM 305 OG1 THR A 24 1.029 -8.376 -4.072 1.00 0.00 O ATOM 306 CG2 THR A 24 1.255 -10.165 -2.595 1.00 0.00 C ATOM 0 H THR A 24 -0.780 -8.600 -2.170 1.00 0.00 H new ATOM 0 HA THR A 24 1.792 -7.682 -0.987 1.00 0.00 H new ATOM 0 HB THR A 24 2.772 -8.655 -2.839 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.464 -9.123 -4.361 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.695 -10.816 -3.350 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.595 -10.474 -1.607 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.168 -10.236 -2.643 1.00 0.00 H new ATOM 314 N LEU A 25 1.999 -5.521 -2.091 1.00 0.00 N ATOM 315 CA LEU A 25 2.011 -4.137 -2.533 1.00 0.00 C ATOM 316 C LEU A 25 1.258 -4.023 -3.860 1.00 0.00 C ATOM 317 O LEU A 25 0.483 -3.089 -4.060 1.00 0.00 O ATOM 318 CB LEU A 25 3.444 -3.605 -2.591 1.00 0.00 C ATOM 319 CG LEU A 25 3.995 -3.017 -1.290 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.496 -3.284 -1.160 1.00 0.00 C ATOM 321 CD2 LEU A 25 3.666 -1.527 -1.179 1.00 0.00 C ATOM 0 H LEU A 25 2.829 -5.811 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 25 1.490 -3.504 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.099 -4.417 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.494 -2.837 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 25 3.505 -3.518 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.862 -2.856 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.676 -4.359 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.021 -2.828 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.069 -1.134 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.110 -0.993 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.585 -1.391 -1.193 1.00 0.00 H new ATOM 333 N GLU A 26 1.514 -4.986 -4.733 1.00 0.00 N ATOM 334 CA GLU A 26 0.870 -5.005 -6.036 1.00 0.00 C ATOM 335 C GLU A 26 -0.647 -5.116 -5.876 1.00 0.00 C ATOM 336 O GLU A 26 -1.380 -4.188 -6.216 1.00 0.00 O ATOM 337 CB GLU A 26 1.416 -6.144 -6.900 1.00 0.00 C ATOM 338 CG GLU A 26 2.503 -5.639 -7.850 1.00 0.00 C ATOM 339 CD GLU A 26 1.903 -4.768 -8.956 1.00 0.00 C ATOM 340 OE1 GLU A 26 1.165 -5.338 -9.789 1.00 0.00 O ATOM 341 OE2 GLU A 26 2.196 -3.553 -8.944 1.00 0.00 O ATOM 0 H GLU A 26 2.158 -5.759 -4.564 1.00 0.00 H new ATOM 0 HA GLU A 26 1.094 -4.068 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.822 -6.928 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.604 -6.590 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.242 -5.065 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.026 -6.486 -8.293 1.00 0.00 H new ATOM 348 N ASN A 27 -1.074 -6.259 -5.360 1.00 0.00 N ATOM 349 CA ASN A 27 -2.491 -6.503 -5.152 1.00 0.00 C ATOM 350 C ASN A 27 -3.118 -5.288 -4.466 1.00 0.00 C ATOM 351 O ASN A 27 -4.008 -4.647 -5.024 1.00 0.00 O ATOM 352 CB ASN A 27 -2.714 -7.721 -4.252 1.00 0.00 C ATOM 353 CG ASN A 27 -2.045 -8.966 -4.839 1.00 0.00 C ATOM 354 OD1 ASN A 27 -1.162 -9.564 -4.247 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.514 -9.320 -6.032 1.00 0.00 N ATOM 0 H ASN A 27 -0.463 -7.026 -5.080 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.948 -6.684 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.312 -7.522 -3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.783 -7.900 -4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.133 -10.138 -6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.255 -8.774 -6.471 1.00 0.00 H new ATOM 362 N ALA A 28 -2.630 -5.007 -3.267 1.00 0.00 N ATOM 363 CA ALA A 28 -3.131 -3.880 -2.500 1.00 0.00 C ATOM 364 C ALA A 28 -3.432 -2.717 -3.447 1.00 0.00 C ATOM 365 O ALA A 28 -4.589 -2.340 -3.627 1.00 0.00 O ATOM 366 CB ALA A 28 -2.115 -3.505 -1.420 1.00 0.00 C ATOM 0 H ALA A 28 -1.892 -5.541 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.061 -4.143 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.491 -2.659 -0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.959 -4.355 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.169 -3.233 -1.889 1.00 0.00 H new ATOM 372 N LYS A 29 -2.369 -2.180 -4.029 1.00 0.00 N ATOM 373 CA LYS A 29 -2.505 -1.067 -4.954 1.00 0.00 C ATOM 374 C LYS A 29 -3.734 -1.290 -5.837 1.00 0.00 C ATOM 375 O LYS A 29 -4.761 -0.639 -5.653 1.00 0.00 O ATOM 376 CB LYS A 29 -1.209 -0.866 -5.743 1.00 0.00 C ATOM 377 CG LYS A 29 -1.458 -0.033 -7.002 1.00 0.00 C ATOM 378 CD LYS A 29 -0.449 1.113 -7.110 1.00 0.00 C ATOM 379 CE LYS A 29 -1.044 2.419 -6.580 1.00 0.00 C ATOM 380 NZ LYS A 29 -2.059 2.945 -7.520 1.00 0.00 N ATOM 0 H LYS A 29 -1.411 -2.495 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.668 -0.137 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.470 -0.370 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.793 -1.835 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.386 -0.670 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.471 0.370 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.451 0.864 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.149 1.241 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.498 2.249 -5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.253 3.156 -6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.193 3.963 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.738 2.794 -8.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.960 2.448 -7.371 1.00 0.00 H new ATOM 394 N ALA A 30 -3.588 -2.213 -6.777 1.00 0.00 N ATOM 395 CA ALA A 30 -4.674 -2.530 -7.689 1.00 0.00 C ATOM 396 C ALA A 30 -5.999 -2.509 -6.924 1.00 0.00 C ATOM 397 O ALA A 30 -6.862 -1.675 -7.193 1.00 0.00 O ATOM 398 CB ALA A 30 -4.405 -3.882 -8.353 1.00 0.00 C ATOM 0 H ALA A 30 -2.734 -2.751 -6.926 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.739 -1.785 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.220 -4.120 -9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.468 -3.835 -8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.336 -4.656 -7.588 1.00 0.00 H new ATOM 404 N ARG A 31 -6.119 -3.436 -5.986 1.00 0.00 N ATOM 405 CA ARG A 31 -7.324 -3.535 -5.180 1.00 0.00 C ATOM 406 C ARG A 31 -7.856 -2.140 -4.848 1.00 0.00 C ATOM 407 O ARG A 31 -8.995 -1.811 -5.175 1.00 0.00 O ATOM 408 CB ARG A 31 -7.056 -4.295 -3.879 1.00 0.00 C ATOM 409 CG ARG A 31 -8.189 -5.278 -3.575 1.00 0.00 C ATOM 410 CD ARG A 31 -9.356 -4.572 -2.881 1.00 0.00 C ATOM 411 NE ARG A 31 -10.335 -5.570 -2.397 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.658 -5.361 -2.346 1.00 0.00 C ATOM 413 NH1 ARG A 31 -12.167 -4.189 -2.749 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.471 -6.324 -1.892 1.00 0.00 N ATOM 0 H ARG A 31 -5.401 -4.126 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.067 -4.082 -5.760 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.112 -4.835 -3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.952 -3.588 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.536 -5.737 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.817 -6.083 -2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.987 -3.977 -2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.839 -3.883 -3.574 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.981 -6.473 -2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.548 -3.456 -3.095 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.174 -4.030 -2.710 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.083 -7.216 -1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.478 -6.165 -1.853 1.00 0.00 H new ATOM 428 N LEU A 32 -7.005 -1.356 -4.201 1.00 0.00 N ATOM 429 CA LEU A 32 -7.376 -0.003 -3.821 1.00 0.00 C ATOM 430 C LEU A 32 -8.184 0.637 -4.951 1.00 0.00 C ATOM 431 O LEU A 32 -9.311 1.081 -4.738 1.00 0.00 O ATOM 432 CB LEU A 32 -6.136 0.799 -3.421 1.00 0.00 C ATOM 433 CG LEU A 32 -6.398 2.152 -2.756 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.292 1.993 -1.524 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.085 2.863 -2.422 1.00 0.00 C ATOM 0 H LEU A 32 -6.061 -1.632 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.017 -0.017 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.539 0.192 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.532 0.966 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.934 2.783 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.463 2.969 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.247 1.559 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.804 1.338 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.300 3.822 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.501 2.246 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.518 3.028 -3.338 1.00 0.00 H new ATOM 447 N ASN A 33 -7.577 0.664 -6.128 1.00 0.00 N ATOM 448 CA ASN A 33 -8.227 1.242 -7.292 1.00 0.00 C ATOM 449 C ASN A 33 -9.565 0.539 -7.526 1.00 0.00 C ATOM 450 O ASN A 33 -10.566 1.186 -7.828 1.00 0.00 O ATOM 451 CB ASN A 33 -7.371 1.060 -8.548 1.00 0.00 C ATOM 452 CG ASN A 33 -8.158 1.431 -9.806 1.00 0.00 C ATOM 453 OD1 ASN A 33 -9.008 0.693 -10.278 1.00 0.00 O ATOM 454 ND2 ASN A 33 -7.829 2.612 -10.321 1.00 0.00 N ATOM 0 H ASN A 33 -6.642 0.295 -6.301 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.371 2.306 -7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.478 1.681 -8.477 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.035 0.025 -8.617 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.297 2.950 -11.162 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.108 3.180 -9.875 1.00 0.00 H new ATOM 461 N GLN A 34 -9.539 -0.778 -7.378 1.00 0.00 N ATOM 462 CA GLN A 34 -10.738 -1.576 -7.569 1.00 0.00 C ATOM 463 C GLN A 34 -11.837 -1.122 -6.606 1.00 0.00 C ATOM 464 O GLN A 34 -12.978 -0.915 -7.015 1.00 0.00 O ATOM 465 CB GLN A 34 -10.438 -3.066 -7.396 1.00 0.00 C ATOM 466 CG GLN A 34 -10.256 -3.750 -8.752 1.00 0.00 C ATOM 467 CD GLN A 34 -11.530 -4.488 -9.170 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.641 -4.040 -8.940 1.00 0.00 O ATOM 469 NE2 GLN A 34 -11.308 -5.641 -9.794 1.00 0.00 N ATOM 0 H GLN A 34 -8.707 -1.312 -7.128 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.092 -1.426 -8.589 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.536 -3.192 -6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.252 -3.543 -6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.998 -3.007 -9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.425 -4.453 -8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.352 -5.958 -9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.094 -6.208 -10.112 1.00 0.00 H new ATOM 478 N TYR A 35 -11.454 -0.982 -5.346 1.00 0.00 N ATOM 479 CA TYR A 35 -12.392 -0.557 -4.321 1.00 0.00 C ATOM 480 C TYR A 35 -13.037 0.781 -4.689 1.00 0.00 C ATOM 481 O TYR A 35 -14.199 1.024 -4.366 1.00 0.00 O ATOM 482 CB TYR A 35 -11.570 -0.379 -3.043 1.00 0.00 C ATOM 483 CG TYR A 35 -12.348 0.248 -1.885 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.294 -0.495 -1.207 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.104 1.555 -1.517 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.027 0.095 -0.117 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.836 2.145 -0.426 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.761 1.386 0.220 1.00 0.00 C ATOM 489 OH TYR A 35 -14.453 1.943 1.250 1.00 0.00 O ATOM 0 H TYR A 35 -10.506 -1.155 -5.011 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.191 -1.290 -4.205 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.191 -1.352 -2.728 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.703 0.244 -3.264 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.484 -1.519 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.364 2.136 -2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.771 -0.474 0.421 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.654 3.167 -0.128 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.777 1.236 1.847 1.00 0.00 H new ATOM 499 N PHE A 36 -12.254 1.614 -5.359 1.00 0.00 N ATOM 500 CA PHE A 36 -12.734 2.921 -5.775 1.00 0.00 C ATOM 501 C PHE A 36 -13.509 2.828 -7.090 1.00 0.00 C ATOM 502 O PHE A 36 -14.292 3.718 -7.418 1.00 0.00 O ATOM 503 CB PHE A 36 -11.502 3.804 -5.984 1.00 0.00 C ATOM 504 CG PHE A 36 -10.721 4.097 -4.701 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.376 4.191 -3.513 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.372 4.263 -4.749 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.651 4.463 -2.323 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.647 4.534 -3.559 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.302 4.629 -2.371 1.00 0.00 C ATOM 0 H PHE A 36 -11.291 1.409 -5.624 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.404 3.329 -5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.837 3.319 -6.699 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.816 4.748 -6.430 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.447 4.059 -3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.852 4.189 -5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.171 4.538 -1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.576 4.665 -3.597 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.751 4.836 -1.466 1.00 0.00 H new ATOM 519 N GLN A 37 -13.265 1.742 -7.809 1.00 0.00 N ATOM 520 CA GLN A 37 -13.930 1.521 -9.081 1.00 0.00 C ATOM 521 C GLN A 37 -15.297 0.871 -8.860 1.00 0.00 C ATOM 522 O GLN A 37 -16.274 1.233 -9.513 1.00 0.00 O ATOM 523 CB GLN A 37 -13.064 0.671 -10.013 1.00 0.00 C ATOM 524 CG GLN A 37 -12.179 1.553 -10.896 1.00 0.00 C ATOM 525 CD GLN A 37 -12.221 1.087 -12.353 1.00 0.00 C ATOM 526 OE1 GLN A 37 -13.208 0.557 -12.834 1.00 0.00 O ATOM 527 NE2 GLN A 37 -11.096 1.313 -13.025 1.00 0.00 N ATOM 0 H GLN A 37 -12.615 1.005 -7.534 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.082 2.488 -9.561 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.441 -0.001 -9.423 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.702 0.047 -10.639 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.512 2.589 -10.832 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.152 1.525 -10.531 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.306 1.762 -12.561 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.023 1.038 -14.004 1.00 0.00 H new ATOM 536 N LYS A 38 -15.323 -0.078 -7.935 1.00 0.00 N ATOM 537 CA LYS A 38 -16.554 -0.781 -7.619 1.00 0.00 C ATOM 538 C LYS A 38 -17.497 0.161 -6.869 1.00 0.00 C ATOM 539 O LYS A 38 -18.647 0.342 -7.267 1.00 0.00 O ATOM 540 CB LYS A 38 -16.252 -2.077 -6.864 1.00 0.00 C ATOM 541 CG LYS A 38 -16.035 -3.240 -7.835 1.00 0.00 C ATOM 542 CD LYS A 38 -17.367 -3.884 -8.225 1.00 0.00 C ATOM 543 CE LYS A 38 -17.712 -5.042 -7.286 1.00 0.00 C ATOM 544 NZ LYS A 38 -19.163 -5.057 -6.993 1.00 0.00 N ATOM 0 H LYS A 38 -14.511 -0.376 -7.395 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.065 -1.083 -8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.364 -1.944 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.077 -2.310 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.525 -2.882 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.387 -3.986 -7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.160 -3.136 -8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.313 -4.247 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.417 -5.987 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.149 -4.946 -6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.380 -5.849 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.435 -4.162 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.695 -5.171 -7.879 1.00 0.00 H new ATOM 558 N GLU A 39 -16.976 0.738 -5.796 1.00 0.00 N ATOM 559 CA GLU A 39 -17.757 1.658 -4.987 1.00 0.00 C ATOM 560 C GLU A 39 -17.969 2.975 -5.736 1.00 0.00 C ATOM 561 O GLU A 39 -18.814 3.783 -5.351 1.00 0.00 O ATOM 562 CB GLU A 39 -17.089 1.899 -3.632 1.00 0.00 C ATOM 563 CG GLU A 39 -17.273 0.694 -2.707 1.00 0.00 C ATOM 564 CD GLU A 39 -18.149 1.053 -1.506 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.108 1.827 -1.714 1.00 0.00 O ATOM 566 OE2 GLU A 39 -17.840 0.545 -0.406 1.00 0.00 O ATOM 0 H GLU A 39 -16.022 0.586 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.732 1.209 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.026 2.092 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.514 2.788 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.728 -0.128 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.300 0.345 -2.361 1.00 0.00 H new ATOM 573 N LYS A 40 -17.188 3.152 -6.791 1.00 0.00 N ATOM 574 CA LYS A 40 -17.279 4.357 -7.597 1.00 0.00 C ATOM 575 C LYS A 40 -16.733 5.542 -6.799 1.00 0.00 C ATOM 576 O LYS A 40 -17.039 6.694 -7.103 1.00 0.00 O ATOM 577 CB LYS A 40 -18.711 4.560 -8.096 1.00 0.00 C ATOM 578 CG LYS A 40 -19.302 3.248 -8.615 1.00 0.00 C ATOM 579 CD LYS A 40 -19.511 3.301 -10.130 1.00 0.00 C ATOM 580 CE LYS A 40 -20.775 4.088 -10.482 1.00 0.00 C ATOM 581 NZ LYS A 40 -21.969 3.217 -10.390 1.00 0.00 N ATOM 0 H LYS A 40 -16.488 2.480 -7.107 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.663 4.264 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.330 4.947 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.721 5.307 -8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.637 2.422 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.253 3.053 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.646 3.765 -10.604 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.587 2.288 -10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.883 4.936 -9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.690 4.493 -11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.819 3.766 -10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.870 2.422 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.058 2.851 -9.421 1.00 0.00 H new ATOM 595 N ILE A 41 -15.933 5.218 -5.793 1.00 0.00 N ATOM 596 CA ILE A 41 -15.341 6.242 -4.949 1.00 0.00 C ATOM 597 C ILE A 41 -14.144 6.864 -5.671 1.00 0.00 C ATOM 598 O ILE A 41 -13.641 6.302 -6.643 1.00 0.00 O ATOM 599 CB ILE A 41 -14.998 5.669 -3.572 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.262 5.217 -2.836 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.182 6.668 -2.750 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.948 4.091 -1.849 1.00 0.00 C ATOM 0 H ILE A 41 -15.681 4.261 -5.544 1.00 0.00 H new ATOM 0 HA ILE A 41 -16.056 7.044 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.375 4.786 -3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.698 6.062 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -17.005 4.877 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.952 6.236 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.254 6.898 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.758 7.583 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.863 3.788 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.534 3.239 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.223 4.442 -1.115 1.00 0.00 H new ATOM 614 N GLN A 42 -13.723 8.015 -5.169 1.00 0.00 N ATOM 615 CA GLN A 42 -12.595 8.719 -5.754 1.00 0.00 C ATOM 616 C GLN A 42 -11.534 9.001 -4.689 1.00 0.00 C ATOM 617 O GLN A 42 -11.843 9.544 -3.629 1.00 0.00 O ATOM 618 CB GLN A 42 -13.049 10.013 -6.433 1.00 0.00 C ATOM 619 CG GLN A 42 -13.976 9.718 -7.613 1.00 0.00 C ATOM 620 CD GLN A 42 -15.240 10.577 -7.546 1.00 0.00 C ATOM 621 OE1 GLN A 42 -15.695 10.976 -6.487 1.00 0.00 O ATOM 622 NE2 GLN A 42 -15.780 10.839 -8.733 1.00 0.00 N ATOM 0 H GLN A 42 -14.143 8.478 -4.363 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.152 8.082 -6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -13.565 10.645 -5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.179 10.570 -6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.451 9.910 -8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.249 8.663 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.348 10.474 -9.582 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.626 11.405 -8.795 1.00 0.00 H new ATOM 631 N GLY A 43 -10.306 8.620 -5.007 1.00 0.00 N ATOM 632 CA GLY A 43 -9.198 8.825 -4.090 1.00 0.00 C ATOM 633 C GLY A 43 -7.858 8.765 -4.826 1.00 0.00 C ATOM 634 O GLY A 43 -7.584 7.806 -5.546 1.00 0.00 O ATOM 0 H GLY A 43 -10.054 8.170 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.303 9.792 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.222 8.065 -3.309 1.00 0.00 H new ATOM 638 N GLU A 44 -7.059 9.802 -4.621 1.00 0.00 N ATOM 639 CA GLU A 44 -5.755 9.879 -5.256 1.00 0.00 C ATOM 640 C GLU A 44 -4.647 9.844 -4.201 1.00 0.00 C ATOM 641 O GLU A 44 -4.923 9.694 -3.012 1.00 0.00 O ATOM 642 CB GLU A 44 -5.643 11.132 -6.127 1.00 0.00 C ATOM 643 CG GLU A 44 -6.514 12.263 -5.576 1.00 0.00 C ATOM 644 CD GLU A 44 -6.519 13.464 -6.525 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.408 13.940 -6.843 1.00 0.00 O ATOM 646 OE2 GLU A 44 -7.634 13.877 -6.910 1.00 0.00 O ATOM 0 H GLU A 44 -7.290 10.596 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.638 9.012 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.604 11.457 -6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.947 10.898 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.533 11.905 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.143 12.569 -4.598 1.00 0.00 H new ATOM 653 N TYR A 45 -3.418 9.984 -4.675 1.00 0.00 N ATOM 654 CA TYR A 45 -2.268 9.970 -3.788 1.00 0.00 C ATOM 655 C TYR A 45 -1.577 11.336 -3.764 1.00 0.00 C ATOM 656 O TYR A 45 -1.360 11.944 -4.810 1.00 0.00 O ATOM 657 CB TYR A 45 -1.302 8.934 -4.365 1.00 0.00 C ATOM 658 CG TYR A 45 -1.825 7.497 -4.309 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.745 7.061 -5.240 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.376 6.637 -3.327 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.237 5.708 -5.187 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.868 5.285 -3.273 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.774 4.887 -4.206 1.00 0.00 C ATOM 664 OH TYR A 45 -3.239 3.610 -4.156 1.00 0.00 O ATOM 0 H TYR A 45 -3.194 10.108 -5.662 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.573 9.735 -2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.086 9.191 -5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.359 8.988 -3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.096 7.734 -6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.655 6.979 -2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.957 5.354 -5.910 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.526 4.603 -2.509 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.868 3.462 -4.892 1.00 0.00 H new ATOM 674 N LYS A 46 -1.250 11.777 -2.558 1.00 0.00 N ATOM 675 CA LYS A 46 -0.589 13.058 -2.384 1.00 0.00 C ATOM 676 C LYS A 46 0.912 12.831 -2.192 1.00 0.00 C ATOM 677 O LYS A 46 1.347 12.394 -1.128 1.00 0.00 O ATOM 678 CB LYS A 46 -1.241 13.848 -1.247 1.00 0.00 C ATOM 679 CG LYS A 46 -0.734 15.291 -1.221 1.00 0.00 C ATOM 680 CD LYS A 46 -1.394 16.124 -2.322 1.00 0.00 C ATOM 681 CE LYS A 46 -1.893 17.462 -1.774 1.00 0.00 C ATOM 682 NZ LYS A 46 -3.009 17.977 -2.598 1.00 0.00 N ATOM 0 H LYS A 46 -1.431 11.269 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.708 13.672 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.324 13.841 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.025 13.366 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.943 15.736 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.348 15.302 -1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.680 16.300 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.228 15.569 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.222 17.339 -0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.077 18.185 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.335 18.886 -2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.684 18.113 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.793 17.294 -2.586 1.00 0.00 H new ATOM 696 N TYR A 47 1.663 13.137 -3.240 1.00 0.00 N ATOM 697 CA TYR A 47 3.106 12.972 -3.201 1.00 0.00 C ATOM 698 C TYR A 47 3.791 14.247 -2.705 1.00 0.00 C ATOM 699 O TYR A 47 3.653 15.307 -3.313 1.00 0.00 O ATOM 700 CB TYR A 47 3.539 12.703 -4.644 1.00 0.00 C ATOM 701 CG TYR A 47 2.891 11.466 -5.268 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.289 10.205 -4.873 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.908 11.611 -6.226 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.679 9.040 -5.461 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.298 10.446 -6.813 1.00 0.00 C ATOM 706 CZ TYR A 47 1.714 9.218 -6.402 1.00 0.00 C ATOM 707 OH TYR A 47 1.138 8.118 -6.957 1.00 0.00 O ATOM 0 H TYR A 47 1.299 13.498 -4.122 1.00 0.00 H new ATOM 0 HA TYR A 47 3.381 12.163 -2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.297 13.574 -5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.622 12.586 -4.672 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.058 10.092 -4.123 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.596 12.598 -6.535 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.981 8.048 -5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.527 10.545 -7.563 1.00 0.00 H new ATOM 0 HH TYR A 47 0.465 8.397 -7.613 1.00 0.00 H new ATOM 717 N THR A 48 4.514 14.101 -1.604 1.00 0.00 N ATOM 718 CA THR A 48 5.221 15.228 -1.019 1.00 0.00 C ATOM 719 C THR A 48 6.733 15.036 -1.150 1.00 0.00 C ATOM 720 O THR A 48 7.318 14.201 -0.462 1.00 0.00 O ATOM 721 CB THR A 48 4.751 15.380 0.429 1.00 0.00 C ATOM 722 OG1 THR A 48 3.452 15.953 0.314 1.00 0.00 O ATOM 723 CG2 THR A 48 5.555 16.431 1.198 1.00 0.00 C ATOM 0 H THR A 48 4.625 13.220 -1.102 1.00 0.00 H new ATOM 0 HA THR A 48 4.996 16.154 -1.548 1.00 0.00 H new ATOM 0 HB THR A 48 4.828 14.419 0.938 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.815 15.430 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.181 16.499 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.606 16.144 1.215 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.451 17.399 0.708 1.00 0.00 H new ATOM 731 N GLN A 49 7.323 15.822 -2.039 1.00 0.00 N ATOM 732 CA GLN A 49 8.755 15.749 -2.269 1.00 0.00 C ATOM 733 C GLN A 49 9.513 16.409 -1.115 1.00 0.00 C ATOM 734 O GLN A 49 9.193 17.528 -0.717 1.00 0.00 O ATOM 735 CB GLN A 49 9.129 16.389 -3.608 1.00 0.00 C ATOM 736 CG GLN A 49 10.623 16.227 -3.895 1.00 0.00 C ATOM 737 CD GLN A 49 11.244 17.554 -4.335 1.00 0.00 C ATOM 738 OE1 GLN A 49 10.630 18.362 -5.012 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.493 17.733 -3.913 1.00 0.00 N ATOM 0 H GLN A 49 6.834 16.513 -2.609 1.00 0.00 H new ATOM 0 HA GLN A 49 9.043 14.699 -2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.549 15.930 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.871 17.448 -3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.131 15.862 -3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.768 15.478 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.948 17.016 -3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.995 18.588 -4.154 1.00 0.00 H new ATOM 748 N VAL A 50 10.503 15.688 -0.610 1.00 0.00 N ATOM 749 CA VAL A 50 11.309 16.189 0.490 1.00 0.00 C ATOM 750 C VAL A 50 12.785 15.905 0.206 1.00 0.00 C ATOM 751 O VAL A 50 13.138 15.472 -0.889 1.00 0.00 O ATOM 752 CB VAL A 50 10.826 15.584 1.810 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.396 16.026 2.125 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.937 14.059 1.787 1.00 0.00 C ATOM 0 H VAL A 50 10.765 14.760 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 50 11.199 17.269 0.584 1.00 0.00 H new ATOM 0 HB VAL A 50 11.473 15.954 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.077 15.582 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.360 17.112 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.730 15.699 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.587 13.654 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.326 13.662 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.977 13.772 1.631 1.00 0.00 H new ATOM 764 N GLY A 51 13.608 16.161 1.213 1.00 0.00 N ATOM 765 CA GLY A 51 15.038 15.938 1.085 1.00 0.00 C ATOM 766 C GLY A 51 15.612 16.721 -0.098 1.00 0.00 C ATOM 767 O GLY A 51 14.871 17.365 -0.838 1.00 0.00 O ATOM 0 H GLY A 51 13.312 16.520 2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.540 16.240 2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.233 14.874 0.950 1.00 0.00 H new ATOM 771 N PRO A 52 16.961 16.636 -0.243 1.00 0.00 N ATOM 772 CA PRO A 52 17.643 17.329 -1.323 1.00 0.00 C ATOM 773 C PRO A 52 17.420 16.615 -2.658 1.00 0.00 C ATOM 774 O PRO A 52 17.033 15.448 -2.686 1.00 0.00 O ATOM 775 CB PRO A 52 19.104 17.367 -0.907 1.00 0.00 C ATOM 776 CG PRO A 52 19.261 16.294 0.159 1.00 0.00 C ATOM 777 CD PRO A 52 17.871 15.882 0.615 1.00 0.00 C ATOM 0 HA PRO A 52 17.262 18.338 -1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.758 17.172 -1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.374 18.348 -0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.802 15.436 -0.240 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.842 16.674 1.000 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.720 14.808 0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.712 16.120 1.667 1.00 0.00 H new ATOM 785 N ASP A 53 17.674 17.347 -3.733 1.00 0.00 N ATOM 786 CA ASP A 53 17.506 16.799 -5.069 1.00 0.00 C ATOM 787 C ASP A 53 18.394 15.563 -5.223 1.00 0.00 C ATOM 788 O ASP A 53 17.908 14.482 -5.551 1.00 0.00 O ATOM 789 CB ASP A 53 17.918 17.814 -6.137 1.00 0.00 C ATOM 790 CG ASP A 53 17.169 19.147 -6.085 1.00 0.00 C ATOM 791 OD1 ASP A 53 16.004 19.126 -5.635 1.00 0.00 O ATOM 792 OD2 ASP A 53 17.779 20.157 -6.498 1.00 0.00 O ATOM 0 H ASP A 53 17.995 18.315 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 53 16.454 16.546 -5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 53 18.986 18.010 -6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.766 17.367 -7.119 1.00 0.00 H new ATOM 797 N HIS A 54 19.681 15.764 -4.979 1.00 0.00 N ATOM 798 CA HIS A 54 20.641 14.679 -5.087 1.00 0.00 C ATOM 799 C HIS A 54 20.057 13.412 -4.460 1.00 0.00 C ATOM 800 O HIS A 54 20.332 12.304 -4.918 1.00 0.00 O ATOM 801 CB HIS A 54 21.984 15.079 -4.473 1.00 0.00 C ATOM 802 CG HIS A 54 21.954 15.222 -2.970 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.031 14.283 -1.984 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 21.831 16.446 -2.336 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 21.960 14.900 -0.811 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 21.836 16.241 -1.027 1.00 0.00 N flip ATOM 0 H HIS A 54 20.081 16.662 -4.707 1.00 0.00 H new ATOM 0 HA HIS A 54 20.837 14.465 -6.138 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.731 14.333 -4.742 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.305 16.024 -4.911 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.745 17.405 -2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 54 21.995 14.419 0.155 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.760 16.960 -0.307 1.00 0.00 H new ATOM 814 N ASN A 55 19.260 13.617 -3.422 1.00 0.00 N ATOM 815 CA ASN A 55 18.634 12.505 -2.727 1.00 0.00 C ATOM 816 C ASN A 55 17.311 12.970 -2.117 1.00 0.00 C ATOM 817 O ASN A 55 17.267 13.378 -0.957 1.00 0.00 O ATOM 818 CB ASN A 55 19.524 11.993 -1.593 1.00 0.00 C ATOM 819 CG ASN A 55 19.144 10.564 -1.200 1.00 0.00 C ATOM 820 OD1 ASN A 55 19.806 9.600 -1.549 1.00 0.00 O ATOM 821 ND2 ASN A 55 18.044 10.481 -0.457 1.00 0.00 N ATOM 0 H ASN A 55 19.033 14.537 -3.045 1.00 0.00 H new ATOM 0 HA ASN A 55 18.473 11.704 -3.449 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.568 12.023 -1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.430 12.649 -0.728 1.00 0.00 H new ATOM 0 HD21 ASN A 55 17.707 9.570 -0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 55 17.537 11.328 -0.200 1.00 0.00 H new ATOM 828 N ARG A 56 16.264 12.894 -2.925 1.00 0.00 N ATOM 829 CA ARG A 56 14.942 13.303 -2.479 1.00 0.00 C ATOM 830 C ARG A 56 14.001 12.097 -2.436 1.00 0.00 C ATOM 831 O ARG A 56 14.363 11.006 -2.872 1.00 0.00 O ATOM 832 CB ARG A 56 14.353 14.368 -3.405 1.00 0.00 C ATOM 833 CG ARG A 56 14.055 13.787 -4.789 1.00 0.00 C ATOM 834 CD ARG A 56 13.322 14.806 -5.665 1.00 0.00 C ATOM 835 NE ARG A 56 14.270 15.431 -6.614 1.00 0.00 N ATOM 836 CZ ARG A 56 14.783 14.808 -7.684 1.00 0.00 C ATOM 837 NH1 ARG A 56 14.442 13.538 -7.947 1.00 0.00 N ATOM 838 NH2 ARG A 56 15.636 15.453 -8.491 1.00 0.00 N ATOM 0 H ARG A 56 16.304 12.555 -3.886 1.00 0.00 H new ATOM 0 HA ARG A 56 15.045 13.725 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.437 14.768 -2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.051 15.200 -3.498 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.987 13.491 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.449 12.887 -4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.517 14.315 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.862 15.572 -5.040 1.00 0.00 H new ATOM 0 HE ARG A 56 14.551 16.397 -6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.793 13.047 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.832 13.063 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.896 16.419 -8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.026 14.978 -9.305 1.00 0.00 H new ATOM 852 N SER A 57 12.810 12.336 -1.905 1.00 0.00 N ATOM 853 CA SER A 57 11.814 11.283 -1.799 1.00 0.00 C ATOM 854 C SER A 57 10.411 11.893 -1.763 1.00 0.00 C ATOM 855 O SER A 57 10.176 12.879 -1.067 1.00 0.00 O ATOM 856 CB SER A 57 12.051 10.424 -0.556 1.00 0.00 C ATOM 857 OG SER A 57 12.497 11.200 0.553 1.00 0.00 O ATOM 0 H SER A 57 12.513 13.243 -1.544 1.00 0.00 H new ATOM 0 HA SER A 57 11.902 10.639 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.128 9.909 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.791 9.656 -0.782 1.00 0.00 H new ATOM 0 HG SER A 57 12.635 10.615 1.327 1.00 0.00 H new ATOM 863 N PHE A 58 9.515 11.280 -2.523 1.00 0.00 N ATOM 864 CA PHE A 58 8.141 11.749 -2.587 1.00 0.00 C ATOM 865 C PHE A 58 7.259 11.003 -1.584 1.00 0.00 C ATOM 866 O PHE A 58 6.963 9.824 -1.769 1.00 0.00 O ATOM 867 CB PHE A 58 7.637 11.464 -4.003 1.00 0.00 C ATOM 868 CG PHE A 58 8.143 12.453 -5.054 1.00 0.00 C ATOM 869 CD1 PHE A 58 7.493 13.632 -5.248 1.00 0.00 C ATOM 870 CD2 PHE A 58 9.243 12.154 -5.796 1.00 0.00 C ATOM 871 CE1 PHE A 58 7.963 14.550 -6.224 1.00 0.00 C ATOM 872 CE2 PHE A 58 9.712 13.071 -6.772 1.00 0.00 C ATOM 873 CZ PHE A 58 9.063 14.250 -6.966 1.00 0.00 C ATOM 0 H PHE A 58 9.714 10.463 -3.100 1.00 0.00 H new ATOM 0 HA PHE A 58 8.099 12.811 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.941 10.457 -4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.547 11.479 -4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.619 13.870 -4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.760 11.218 -5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.447 15.486 -6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.585 12.832 -7.361 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.421 14.948 -7.709 1.00 0.00 H new ATOM 883 N ILE A 59 6.865 11.721 -0.542 1.00 0.00 N ATOM 884 CA ILE A 59 6.023 11.142 0.490 1.00 0.00 C ATOM 885 C ILE A 59 4.600 10.981 -0.049 1.00 0.00 C ATOM 886 O ILE A 59 3.840 11.947 -0.104 1.00 0.00 O ATOM 887 CB ILE A 59 6.104 11.969 1.775 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.357 11.614 2.577 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.828 11.817 2.606 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.800 12.790 3.450 1.00 0.00 C ATOM 0 H ILE A 59 7.114 12.699 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 59 6.378 10.146 0.756 1.00 0.00 H new ATOM 0 HB ILE A 59 6.185 13.021 1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.158 10.745 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.163 11.338 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.912 12.415 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.972 12.159 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.690 10.769 2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.693 12.511 4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.022 13.649 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.001 13.048 4.146 1.00 0.00 H new ATOM 902 N ALA A 60 4.282 9.753 -0.433 1.00 0.00 N ATOM 903 CA ALA A 60 2.964 9.454 -0.966 1.00 0.00 C ATOM 904 C ALA A 60 2.002 9.177 0.191 1.00 0.00 C ATOM 905 O ALA A 60 2.086 8.135 0.838 1.00 0.00 O ATOM 906 CB ALA A 60 3.061 8.275 -1.937 1.00 0.00 C ATOM 0 H ALA A 60 4.914 8.954 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 60 2.574 10.305 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.072 8.051 -2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.734 8.532 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.446 7.401 -1.411 1.00 0.00 H new ATOM 912 N GLU A 61 1.108 10.130 0.416 1.00 0.00 N ATOM 913 CA GLU A 61 0.131 10.002 1.483 1.00 0.00 C ATOM 914 C GLU A 61 -1.285 9.971 0.906 1.00 0.00 C ATOM 915 O GLU A 61 -1.603 10.728 -0.011 1.00 0.00 O ATOM 916 CB GLU A 61 0.282 11.133 2.503 1.00 0.00 C ATOM 917 CG GLU A 61 -0.028 12.490 1.867 1.00 0.00 C ATOM 918 CD GLU A 61 0.579 13.631 2.686 1.00 0.00 C ATOM 919 OE1 GLU A 61 0.614 13.483 3.927 1.00 0.00 O ATOM 920 OE2 GLU A 61 0.995 14.625 2.053 1.00 0.00 O ATOM 0 H GLU A 61 1.041 10.993 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 61 0.311 9.061 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.389 10.960 3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.297 11.137 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.365 12.518 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.107 12.624 1.795 1.00 0.00 H new ATOM 927 N MET A 62 -2.099 9.087 1.465 1.00 0.00 N ATOM 928 CA MET A 62 -3.474 8.947 1.017 1.00 0.00 C ATOM 929 C MET A 62 -4.414 8.701 2.199 1.00 0.00 C ATOM 930 O MET A 62 -4.050 8.016 3.153 1.00 0.00 O ATOM 931 CB MET A 62 -3.574 7.780 0.033 1.00 0.00 C ATOM 932 CG MET A 62 -5.035 7.444 -0.273 1.00 0.00 C ATOM 933 SD MET A 62 -5.120 6.101 -1.445 1.00 0.00 S ATOM 934 CE MET A 62 -5.354 7.023 -2.956 1.00 0.00 C ATOM 0 H MET A 62 -1.832 8.461 2.224 1.00 0.00 H new ATOM 0 HA MET A 62 -3.773 9.874 0.527 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.054 8.033 -0.891 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.075 6.905 0.450 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.554 7.169 0.646 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.542 8.321 -0.675 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.622 6.339 -3.762 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.153 7.751 -2.818 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.430 7.542 -3.212 1.00 0.00 H new ATOM 944 N THR A 63 -5.604 9.273 2.096 1.00 0.00 N ATOM 945 CA THR A 63 -6.599 9.124 3.145 1.00 0.00 C ATOM 946 C THR A 63 -7.962 8.778 2.542 1.00 0.00 C ATOM 947 O THR A 63 -8.361 9.353 1.530 1.00 0.00 O ATOM 948 CB THR A 63 -6.609 10.410 3.973 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.233 10.660 4.244 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.231 10.211 5.357 1.00 0.00 C ATOM 0 H THR A 63 -5.902 9.840 1.303 1.00 0.00 H new ATOM 0 HA THR A 63 -6.353 8.295 3.809 1.00 0.00 H new ATOM 0 HB THR A 63 -7.159 11.183 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.958 10.152 5.036 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.213 11.154 5.903 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.262 9.875 5.248 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.662 9.462 5.908 1.00 0.00 H new ATOM 958 N ILE A 64 -8.639 7.841 3.189 1.00 0.00 N ATOM 959 CA ILE A 64 -9.949 7.412 2.729 1.00 0.00 C ATOM 960 C ILE A 64 -10.877 7.244 3.934 1.00 0.00 C ATOM 961 O ILE A 64 -10.426 6.908 5.028 1.00 0.00 O ATOM 962 CB ILE A 64 -9.828 6.155 1.866 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.776 5.199 2.432 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.547 6.517 0.406 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.981 3.780 1.899 1.00 0.00 C ATOM 0 H ILE A 64 -8.305 7.367 4.028 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.395 8.171 2.086 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.784 5.632 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.779 5.551 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.832 5.194 3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.466 5.605 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.362 7.129 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.613 7.075 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.220 3.121 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.969 3.422 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.900 3.784 0.812 1.00 0.00 H new ATOM 977 N TYR A 65 -12.157 7.485 3.692 1.00 0.00 N ATOM 978 CA TYR A 65 -13.153 7.365 4.743 1.00 0.00 C ATOM 979 C TYR A 65 -14.115 6.209 4.458 1.00 0.00 C ATOM 980 O TYR A 65 -14.570 6.041 3.327 1.00 0.00 O ATOM 981 CB TYR A 65 -13.937 8.679 4.734 1.00 0.00 C ATOM 982 CG TYR A 65 -15.189 8.663 5.614 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.333 8.031 5.173 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.173 9.280 6.848 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.512 8.016 6.000 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.351 9.265 7.676 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.463 8.634 7.211 1.00 0.00 C ATOM 988 OH TYR A 65 -18.575 8.619 7.992 1.00 0.00 O ATOM 0 H TYR A 65 -12.527 7.763 2.783 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.675 7.170 5.703 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.281 9.484 5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.229 8.909 3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.345 7.547 4.207 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.277 9.774 7.193 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.414 7.525 5.666 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.352 9.744 8.644 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.394 9.097 8.828 1.00 0.00 H new ATOM 998 N ILE A 66 -14.395 5.443 5.502 1.00 0.00 N ATOM 999 CA ILE A 66 -15.295 4.309 5.377 1.00 0.00 C ATOM 1000 C ILE A 66 -16.597 4.612 6.120 1.00 0.00 C ATOM 1001 O ILE A 66 -16.592 4.813 7.333 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.605 3.025 5.844 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.191 2.922 5.270 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.452 1.795 5.509 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.207 3.060 3.746 1.00 0.00 C ATOM 0 H ILE A 66 -14.015 5.585 6.438 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.556 4.143 4.332 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.509 3.064 6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.561 3.700 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.751 1.964 5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.939 0.896 5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.419 1.873 6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.602 1.739 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.189 2.983 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.818 2.267 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.625 4.029 3.473 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.682 4.637 5.360 1.00 0.00 N ATOM 1018 CA LYS A 67 -18.990 4.913 5.930 1.00 0.00 C ATOM 1019 C LYS A 67 -19.502 3.663 6.649 1.00 0.00 C ATOM 1020 O LYS A 67 -20.122 3.760 7.706 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.943 5.438 4.856 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.019 4.474 3.670 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.686 5.190 2.359 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.698 4.833 1.268 1.00 0.00 C ATOM 1025 NZ LYS A 67 -20.071 3.966 0.245 1.00 0.00 N ATOM 0 H LYS A 67 -17.682 4.471 4.354 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.921 5.705 6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.937 5.575 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.606 6.416 4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.325 3.648 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.019 4.044 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.684 6.268 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.683 4.914 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -21.554 4.324 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.075 5.743 0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.771 3.733 -0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.268 4.465 -0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.733 3.090 0.692 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.223 2.516 6.046 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.648 1.249 6.615 1.00 0.00 C ATOM 1041 C GLN A 68 -19.002 1.040 7.986 1.00 0.00 C ATOM 1042 O GLN A 68 -19.454 0.204 8.768 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.321 0.088 5.673 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.825 0.044 5.354 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.478 -1.190 4.520 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.484 -1.169 3.300 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.176 -2.265 5.243 1.00 0.00 N ATOM 0 H GLN A 68 -18.708 2.438 5.169 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.730 1.276 6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.627 -0.853 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.890 0.193 4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.538 0.946 4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.252 0.033 6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.190 -2.215 6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.930 -3.139 4.779 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.956 1.813 8.237 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.245 1.724 9.500 1.00 0.00 C ATOM 1058 C LEU A 69 -17.582 2.944 10.358 1.00 0.00 C ATOM 1059 O LEU A 69 -17.668 2.843 11.581 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.745 1.537 9.259 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.338 0.256 8.529 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.858 -0.059 8.759 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.241 -0.913 8.927 1.00 0.00 C ATOM 0 H LEU A 69 -17.584 2.504 7.586 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.567 0.844 10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.380 2.390 8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.237 1.559 10.223 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.471 0.416 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.594 -0.974 8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.249 0.764 8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.676 -0.192 9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.930 -1.811 8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.163 -1.083 10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.274 -0.678 8.671 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.764 4.070 9.684 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.090 5.309 10.369 1.00 0.00 C ATOM 1077 C GLY A 70 -16.825 6.103 10.699 1.00 0.00 C ATOM 1078 O GLY A 70 -16.883 7.102 11.415 1.00 0.00 O ATOM 0 H GLY A 70 -17.692 4.150 8.670 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.749 5.912 9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.635 5.089 11.287 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.711 5.630 10.160 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.433 6.283 10.387 1.00 0.00 C ATOM 1084 C ARG A 71 -13.642 6.372 9.080 1.00 0.00 C ATOM 1085 O ARG A 71 -14.144 6.001 8.020 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.604 5.525 11.426 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.156 4.166 10.884 1.00 0.00 C ATOM 1088 CD ARG A 71 -12.410 3.368 11.955 1.00 0.00 C ATOM 1089 NE ARG A 71 -10.957 3.372 11.670 1.00 0.00 N ATOM 1090 CZ ARG A 71 -10.010 3.143 12.589 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.356 2.890 13.859 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -8.717 3.167 12.239 1.00 0.00 N ATOM 0 H ARG A 71 -15.667 4.802 9.566 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.636 7.286 10.762 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.731 6.116 11.702 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.192 5.383 12.333 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.024 3.602 10.544 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.511 4.311 10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.597 3.800 12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.781 2.343 11.981 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.658 3.561 10.713 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.340 2.872 14.125 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.635 2.716 14.559 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.454 3.360 11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.996 2.993 12.939 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.419 6.867 9.198 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.554 7.010 8.040 1.00 0.00 C ATOM 1108 C ARG A 72 -10.114 6.646 8.404 1.00 0.00 C ATOM 1109 O ARG A 72 -9.692 6.834 9.544 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.590 8.441 7.498 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.404 9.458 8.626 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.181 10.341 8.371 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.510 11.756 8.656 1.00 0.00 N ATOM 1114 CZ ARG A 72 -9.595 12.721 8.821 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -8.290 12.430 8.731 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -9.985 13.977 9.077 1.00 0.00 N ATOM 0 H ARG A 72 -12.006 7.174 10.079 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.919 6.332 7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.805 8.571 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.540 8.620 6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.295 10.080 8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.289 8.936 9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.352 10.018 9.000 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.856 10.236 7.336 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.494 12.012 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.993 11.474 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.594 13.165 8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.978 14.199 9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.289 14.712 9.203 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.398 6.132 7.415 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.014 5.740 7.617 1.00 0.00 C ATOM 1132 C ILE A 73 -7.106 6.633 6.769 1.00 0.00 C ATOM 1133 O ILE A 73 -7.506 7.094 5.701 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.835 4.245 7.343 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.347 3.878 5.949 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.497 3.404 8.437 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.895 2.470 5.553 1.00 0.00 C ATOM 0 H ILE A 73 -9.751 5.978 6.471 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.725 5.887 8.658 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.769 4.019 7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.435 3.933 5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.979 4.601 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.355 2.346 8.218 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.045 3.639 9.400 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.563 3.627 8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.272 2.233 4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.806 2.425 5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.285 1.748 6.270 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.902 6.851 7.277 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.935 7.681 6.580 1.00 0.00 C ATOM 1151 C PHE A 74 -3.595 6.957 6.435 1.00 0.00 C ATOM 1152 O PHE A 74 -3.258 6.098 7.249 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.733 8.940 7.426 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.473 9.733 7.071 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.246 9.227 7.365 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.582 10.944 6.462 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.077 9.962 7.035 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.413 11.680 6.133 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.185 11.174 6.426 1.00 0.00 C ATOM 0 H PHE A 74 -5.574 6.467 8.163 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.300 7.917 5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.602 9.587 7.309 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.687 8.655 8.477 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.160 8.266 7.850 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.557 11.346 6.229 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.102 9.559 7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.499 12.642 5.650 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.296 11.734 6.175 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.866 7.331 5.393 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.570 6.728 5.132 1.00 0.00 C ATOM 1171 C ALA A 75 -0.584 7.816 4.703 1.00 0.00 C ATOM 1172 O ALA A 75 -0.987 8.852 4.175 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.722 5.630 4.077 1.00 0.00 C ATOM 0 H ALA A 75 -3.148 8.044 4.720 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.174 6.261 6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.750 5.177 3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.411 4.868 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.114 6.062 3.156 1.00 0.00 H new ATOM 1179 N ARG A 76 0.690 7.544 4.946 1.00 0.00 N ATOM 1180 CA ARG A 76 1.737 8.487 4.591 1.00 0.00 C ATOM 1181 C ARG A 76 3.107 7.810 4.662 1.00 0.00 C ATOM 1182 O ARG A 76 3.735 7.779 5.720 1.00 0.00 O ATOM 1183 CB ARG A 76 1.726 9.699 5.525 1.00 0.00 C ATOM 1184 CG ARG A 76 2.742 10.750 5.072 1.00 0.00 C ATOM 1185 CD ARG A 76 3.674 11.143 6.219 1.00 0.00 C ATOM 1186 NE ARG A 76 3.861 12.611 6.240 1.00 0.00 N ATOM 1187 CZ ARG A 76 4.225 13.307 7.326 1.00 0.00 C ATOM 1188 NH1 ARG A 76 4.443 12.673 8.486 1.00 0.00 N ATOM 1189 NH2 ARG A 76 4.371 14.636 7.251 1.00 0.00 N ATOM 0 H ARG A 76 1.021 6.684 5.384 1.00 0.00 H new ATOM 0 HA ARG A 76 1.547 8.825 3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.728 10.138 5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.955 9.381 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.328 10.359 4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.218 11.633 4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.257 10.808 7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.638 10.647 6.102 1.00 0.00 H new ATOM 0 HE ARG A 76 3.703 13.125 5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.332 11.661 8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.720 13.203 9.312 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.205 15.118 6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.648 15.166 8.077 1.00 0.00 H new ATOM 1203 N GLU A 77 3.531 7.283 3.523 1.00 0.00 N ATOM 1204 CA GLU A 77 4.816 6.609 3.442 1.00 0.00 C ATOM 1205 C GLU A 77 5.841 7.501 2.740 1.00 0.00 C ATOM 1206 O GLU A 77 5.509 8.594 2.284 1.00 0.00 O ATOM 1207 CB GLU A 77 4.683 5.261 2.730 1.00 0.00 C ATOM 1208 CG GLU A 77 3.887 4.268 3.580 1.00 0.00 C ATOM 1209 CD GLU A 77 4.738 3.724 4.730 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.892 3.335 4.447 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.216 3.711 5.865 1.00 0.00 O ATOM 0 H GLU A 77 3.007 7.309 2.648 1.00 0.00 H new ATOM 0 HA GLU A 77 5.167 6.415 4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.188 5.401 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.673 4.856 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.999 4.757 3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.543 3.443 2.956 1.00 0.00 H new ATOM 1218 N HIS A 78 7.067 7.002 2.675 1.00 0.00 N ATOM 1219 CA HIS A 78 8.143 7.740 2.036 1.00 0.00 C ATOM 1220 C HIS A 78 8.924 6.808 1.108 1.00 0.00 C ATOM 1221 O HIS A 78 10.037 6.395 1.430 1.00 0.00 O ATOM 1222 CB HIS A 78 9.031 8.418 3.081 1.00 0.00 C ATOM 1223 CG HIS A 78 9.132 7.663 4.384 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.520 6.336 4.454 1.00 0.00 N ATOM 1225 CD2 HIS A 78 8.893 8.062 5.667 1.00 0.00 C ATOM 1226 CE1 HIS A 78 9.510 5.964 5.726 1.00 0.00 C ATOM 1227 NE2 HIS A 78 9.121 7.034 6.475 1.00 0.00 N ATOM 0 H HIS A 78 7.339 6.095 3.055 1.00 0.00 H new ATOM 0 HA HIS A 78 7.727 8.540 1.423 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.031 8.543 2.667 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.642 9.416 3.281 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.771 5.745 3.661 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.573 9.047 5.973 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.765 4.985 6.103 1.00 0.00 H new ATOM 1235 N GLY A 79 8.310 6.504 -0.026 1.00 0.00 N ATOM 1236 CA GLY A 79 8.934 5.628 -1.003 1.00 0.00 C ATOM 1237 C GLY A 79 10.017 6.368 -1.790 1.00 0.00 C ATOM 1238 O GLY A 79 10.245 7.557 -1.572 1.00 0.00 O ATOM 0 H GLY A 79 7.387 6.849 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.371 4.767 -0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.178 5.246 -1.689 1.00 0.00 H new ATOM 1242 N SER A 80 10.657 5.634 -2.689 1.00 0.00 N ATOM 1243 CA SER A 80 11.711 6.206 -3.509 1.00 0.00 C ATOM 1244 C SER A 80 11.101 7.016 -4.655 1.00 0.00 C ATOM 1245 O SER A 80 11.438 8.184 -4.842 1.00 0.00 O ATOM 1246 CB SER A 80 12.633 5.116 -4.061 1.00 0.00 C ATOM 1247 OG SER A 80 13.565 5.634 -5.006 1.00 0.00 O ATOM 0 H SER A 80 10.466 4.648 -2.867 1.00 0.00 H new ATOM 0 HA SER A 80 12.310 6.868 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.173 4.647 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.033 4.338 -4.533 1.00 0.00 H new ATOM 0 HG SER A 80 14.136 4.908 -5.334 1.00 0.00 H new ATOM 1253 N ASN A 81 10.214 6.363 -5.392 1.00 0.00 N ATOM 1254 CA ASN A 81 9.554 7.008 -6.514 1.00 0.00 C ATOM 1255 C ASN A 81 8.045 7.030 -6.268 1.00 0.00 C ATOM 1256 O ASN A 81 7.527 6.229 -5.492 1.00 0.00 O ATOM 1257 CB ASN A 81 9.810 6.245 -7.815 1.00 0.00 C ATOM 1258 CG ASN A 81 11.237 6.479 -8.317 1.00 0.00 C ATOM 1259 OD1 ASN A 81 11.618 7.574 -8.695 1.00 0.00 O ATOM 1260 ND2 ASN A 81 12.001 5.391 -8.298 1.00 0.00 N ATOM 0 H ASN A 81 9.937 5.394 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 81 9.952 8.019 -6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.648 5.179 -7.654 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.097 6.565 -8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.970 5.443 -8.613 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.618 4.505 -7.969 1.00 0.00 H new ATOM 1267 N LYS A 82 7.381 7.957 -6.944 1.00 0.00 N ATOM 1268 CA LYS A 82 5.941 8.094 -6.808 1.00 0.00 C ATOM 1269 C LYS A 82 5.302 6.704 -6.760 1.00 0.00 C ATOM 1270 O LYS A 82 4.583 6.380 -5.816 1.00 0.00 O ATOM 1271 CB LYS A 82 5.381 8.989 -7.915 1.00 0.00 C ATOM 1272 CG LYS A 82 5.459 10.465 -7.519 1.00 0.00 C ATOM 1273 CD LYS A 82 5.045 11.368 -8.683 1.00 0.00 C ATOM 1274 CE LYS A 82 4.691 12.772 -8.188 1.00 0.00 C ATOM 1275 NZ LYS A 82 5.590 13.778 -8.797 1.00 0.00 N ATOM 0 H LYS A 82 7.814 8.620 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 82 5.693 8.592 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.940 8.826 -8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.345 8.717 -8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.811 10.650 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.475 10.709 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.857 11.428 -9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.189 10.933 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.655 13.002 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.773 12.813 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.097 14.692 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.442 13.883 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.863 13.467 -9.751 1.00 0.00 H new ATOM 1289 N LYS A 83 5.589 5.921 -7.789 1.00 0.00 N ATOM 1290 CA LYS A 83 5.052 4.573 -7.875 1.00 0.00 C ATOM 1291 C LYS A 83 5.241 3.866 -6.532 1.00 0.00 C ATOM 1292 O LYS A 83 4.274 3.632 -5.808 1.00 0.00 O ATOM 1293 CB LYS A 83 5.672 3.824 -9.057 1.00 0.00 C ATOM 1294 CG LYS A 83 4.611 3.474 -10.102 1.00 0.00 C ATOM 1295 CD LYS A 83 3.711 2.339 -9.610 1.00 0.00 C ATOM 1296 CE LYS A 83 2.566 2.082 -10.592 1.00 0.00 C ATOM 1297 NZ LYS A 83 1.415 1.463 -9.896 1.00 0.00 N ATOM 0 H LYS A 83 6.186 6.193 -8.570 1.00 0.00 H new ATOM 0 HA LYS A 83 3.980 4.602 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.449 4.437 -9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.153 2.912 -8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.006 4.354 -10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.095 3.181 -11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.300 1.430 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.305 2.591 -8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.258 3.020 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.907 1.429 -11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.987 0.740 -10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.740 1.020 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.708 2.194 -9.677 1.00 0.00 H new ATOM 1311 N LEU A 84 6.492 3.546 -6.238 1.00 0.00 N ATOM 1312 CA LEU A 84 6.820 2.870 -4.994 1.00 0.00 C ATOM 1313 C LEU A 84 5.970 3.452 -3.864 1.00 0.00 C ATOM 1314 O LEU A 84 5.062 2.792 -3.361 1.00 0.00 O ATOM 1315 CB LEU A 84 8.325 2.937 -4.729 1.00 0.00 C ATOM 1316 CG LEU A 84 9.186 1.929 -5.493 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.673 2.156 -5.214 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.757 0.494 -5.182 1.00 0.00 C ATOM 0 H LEU A 84 7.292 3.742 -6.840 1.00 0.00 H new ATOM 0 HA LEU A 84 6.579 1.809 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.673 3.941 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.493 2.793 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 84 9.031 2.087 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.263 1.426 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.952 3.162 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.865 2.041 -4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.385 -0.202 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.864 0.306 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.716 0.355 -5.472 1.00 0.00 H new ATOM 1330 N ALA A 85 6.293 4.684 -3.496 1.00 0.00 N ATOM 1331 CA ALA A 85 5.571 5.362 -2.434 1.00 0.00 C ATOM 1332 C ALA A 85 4.087 4.998 -2.519 1.00 0.00 C ATOM 1333 O ALA A 85 3.544 4.377 -1.606 1.00 0.00 O ATOM 1334 CB ALA A 85 5.807 6.870 -2.538 1.00 0.00 C ATOM 0 H ALA A 85 7.046 5.230 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 85 5.934 5.041 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.265 7.379 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.873 7.079 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.452 7.228 -3.504 1.00 0.00 H new ATOM 1340 N ALA A 86 3.474 5.399 -3.623 1.00 0.00 N ATOM 1341 CA ALA A 86 2.064 5.122 -3.839 1.00 0.00 C ATOM 1342 C ALA A 86 1.761 3.683 -3.417 1.00 0.00 C ATOM 1343 O ALA A 86 1.050 3.455 -2.439 1.00 0.00 O ATOM 1344 CB ALA A 86 1.710 5.387 -5.303 1.00 0.00 C ATOM 0 H ALA A 86 3.928 5.914 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 86 1.446 5.781 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.652 5.179 -5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.916 6.430 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.309 4.741 -5.945 1.00 0.00 H new ATOM 1350 N GLN A 87 2.315 2.748 -4.175 1.00 0.00 N ATOM 1351 CA GLN A 87 2.113 1.337 -3.892 1.00 0.00 C ATOM 1352 C GLN A 87 2.127 1.092 -2.382 1.00 0.00 C ATOM 1353 O GLN A 87 1.311 0.330 -1.866 1.00 0.00 O ATOM 1354 CB GLN A 87 3.166 0.480 -4.597 1.00 0.00 C ATOM 1355 CG GLN A 87 2.538 -0.347 -5.721 1.00 0.00 C ATOM 1356 CD GLN A 87 3.231 -1.704 -5.856 1.00 0.00 C ATOM 1357 OE1 GLN A 87 2.665 -2.749 -5.582 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.485 -1.630 -6.293 1.00 0.00 N ATOM 0 H GLN A 87 2.904 2.940 -4.985 1.00 0.00 H new ATOM 0 HA GLN A 87 1.137 1.045 -4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.947 1.121 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.643 -0.183 -3.875 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.477 -0.495 -5.519 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.611 0.198 -6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.899 -0.722 -6.504 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.033 -2.481 -6.417 1.00 0.00 H new ATOM 1367 N SER A 88 3.064 1.751 -1.716 1.00 0.00 N ATOM 1368 CA SER A 88 3.195 1.614 -0.276 1.00 0.00 C ATOM 1369 C SER A 88 1.963 2.195 0.420 1.00 0.00 C ATOM 1370 O SER A 88 1.372 1.550 1.285 1.00 0.00 O ATOM 1371 CB SER A 88 4.464 2.302 0.230 1.00 0.00 C ATOM 1372 OG SER A 88 5.606 1.958 -0.550 1.00 0.00 O ATOM 0 H SER A 88 3.740 2.381 -2.148 1.00 0.00 H new ATOM 0 HA SER A 88 3.271 0.553 -0.040 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.323 3.383 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.638 2.023 1.269 1.00 0.00 H new ATOM 0 HG SER A 88 5.526 2.358 -1.441 1.00 0.00 H new ATOM 1378 N CYS A 89 1.611 3.407 0.016 1.00 0.00 N ATOM 1379 CA CYS A 89 0.459 4.082 0.589 1.00 0.00 C ATOM 1380 C CYS A 89 -0.743 3.140 0.502 1.00 0.00 C ATOM 1381 O CYS A 89 -1.364 2.824 1.516 1.00 0.00 O ATOM 1382 CB CYS A 89 0.187 5.420 -0.100 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.574 6.591 1.083 1.00 0.00 S ATOM 0 H CYS A 89 2.104 3.939 -0.701 1.00 0.00 H new ATOM 0 HA CYS A 89 0.657 4.320 1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.118 5.835 -0.487 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.475 5.271 -0.953 1.00 0.00 H new ATOM 0 HG CYS A 89 0.232 6.781 2.085 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.035 2.717 -0.719 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.152 1.818 -0.952 1.00 0.00 C ATOM 1391 C ALA A 90 -2.124 0.696 0.088 1.00 0.00 C ATOM 1392 O ALA A 90 -2.963 0.656 0.986 1.00 0.00 O ATOM 1393 CB ALA A 90 -2.089 1.285 -2.385 1.00 0.00 C ATOM 0 H ALA A 90 -0.517 2.980 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.099 2.347 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.927 0.610 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.142 2.118 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.153 0.746 -2.532 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.149 -0.188 -0.068 1.00 0.00 N ATOM 1400 CA LEU A 91 -1.000 -1.307 0.847 1.00 0.00 C ATOM 1401 C LEU A 91 -1.286 -0.835 2.274 1.00 0.00 C ATOM 1402 O LEU A 91 -1.849 -1.579 3.076 1.00 0.00 O ATOM 1403 CB LEU A 91 0.374 -1.957 0.678 1.00 0.00 C ATOM 1404 CG LEU A 91 0.724 -3.058 1.682 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.100 -4.320 1.421 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.227 -3.343 1.682 1.00 0.00 C ATOM 0 H LEU A 91 -0.455 -0.152 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.726 -2.087 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.434 -2.376 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.133 -1.178 0.744 1.00 0.00 H new ATOM 0 HG LEU A 91 0.464 -2.705 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.168 -5.086 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.161 -4.087 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.105 -4.687 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.448 -4.129 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.536 -3.666 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.769 -2.437 1.954 1.00 0.00 H new ATOM 1418 N SER A 92 -0.886 0.398 2.547 1.00 0.00 N ATOM 1419 CA SER A 92 -1.092 0.978 3.863 1.00 0.00 C ATOM 1420 C SER A 92 -2.584 0.982 4.205 1.00 0.00 C ATOM 1421 O SER A 92 -2.988 0.456 5.240 1.00 0.00 O ATOM 1422 CB SER A 92 -0.527 2.398 3.934 1.00 0.00 C ATOM 1423 OG SER A 92 -0.002 2.699 5.224 1.00 0.00 O ATOM 0 H SER A 92 -0.420 1.012 1.879 1.00 0.00 H new ATOM 0 HA SER A 92 -0.560 0.368 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.258 2.514 3.187 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.311 3.113 3.686 1.00 0.00 H new ATOM 0 HG SER A 92 0.351 3.613 5.228 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.360 1.583 3.315 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.798 1.663 3.510 1.00 0.00 C ATOM 1431 C LEU A 93 -5.395 0.256 3.454 1.00 0.00 C ATOM 1432 O LEU A 93 -6.274 -0.081 4.246 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.421 2.635 2.506 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.948 4.088 2.596 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.944 4.574 4.047 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.582 4.262 1.930 1.00 0.00 C ATOM 0 H LEU A 93 -3.021 2.019 2.458 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.027 2.068 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.215 2.269 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.503 2.617 2.637 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.655 4.712 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.604 5.609 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.953 4.509 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.273 3.951 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.269 5.303 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.851 3.625 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.651 3.982 0.879 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.893 -0.529 2.512 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.366 -1.892 2.343 1.00 0.00 C ATOM 1450 C VAL A 94 -5.282 -2.626 3.683 1.00 0.00 C ATOM 1451 O VAL A 94 -6.296 -3.079 4.212 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.577 -2.586 1.231 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.127 -3.988 0.961 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.573 -1.743 -0.046 1.00 0.00 C ATOM 0 H VAL A 94 -4.163 -0.247 1.858 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.411 -1.898 2.034 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.545 -2.690 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.548 -4.459 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.054 -4.588 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.171 -3.917 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.006 -2.259 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.598 -1.593 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.113 -0.776 0.158 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.063 -2.722 4.193 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.833 -3.393 5.461 1.00 0.00 C ATOM 1466 C ARG A 95 -4.872 -2.950 6.493 1.00 0.00 C ATOM 1467 O ARG A 95 -5.558 -3.782 7.084 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.432 -3.092 5.998 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.355 -3.604 5.038 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.381 -4.540 5.756 1.00 0.00 C ATOM 1471 NE ARG A 95 -0.206 -5.784 4.975 1.00 0.00 N ATOM 1472 CZ ARG A 95 0.871 -6.577 5.055 1.00 0.00 C ATOM 1473 NH1 ARG A 95 1.877 -6.259 5.882 1.00 0.00 N ATOM 1474 NH2 ARG A 95 0.944 -7.687 4.309 1.00 0.00 N ATOM 0 H ARG A 95 -3.224 -2.346 3.751 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.921 -4.466 5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.316 -2.018 6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.305 -3.559 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.824 -4.130 4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.809 -2.761 4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.581 -4.045 5.888 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.757 -4.776 6.751 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.952 -6.055 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.822 -5.414 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.697 -6.862 5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.179 -7.929 3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.764 -8.290 4.371 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.956 -1.641 6.676 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.900 -1.077 7.626 1.00 0.00 C ATOM 1490 C GLN A 96 -7.318 -1.564 7.317 1.00 0.00 C ATOM 1491 O GLN A 96 -8.026 -2.030 8.209 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.833 0.451 7.625 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.828 0.956 8.663 1.00 0.00 C ATOM 1494 CD GLN A 96 -4.533 2.444 8.462 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -4.659 3.256 9.363 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -4.134 2.755 7.231 1.00 0.00 N ATOM 0 H GLN A 96 -4.386 -0.954 6.183 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.628 -1.419 8.625 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.548 0.806 6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.820 0.862 7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.222 0.792 9.666 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.903 0.385 8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.049 2.026 6.523 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.913 3.723 6.996 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.689 -1.439 6.052 1.00 0.00 N ATOM 1506 CA LEU A 97 -9.009 -1.860 5.614 1.00 0.00 C ATOM 1507 C LEU A 97 -9.283 -3.277 6.123 1.00 0.00 C ATOM 1508 O LEU A 97 -10.300 -3.523 6.769 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.143 -1.715 4.097 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.273 -0.285 3.569 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.892 -0.210 2.089 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.675 0.270 3.828 1.00 0.00 C ATOM 0 H LEU A 97 -7.099 -1.052 5.316 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.776 -1.213 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.273 -2.176 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.016 -2.281 3.773 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.571 0.345 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.993 0.817 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.860 -0.537 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.551 -0.857 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.740 1.288 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.413 -0.356 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.872 0.274 4.900 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.356 -4.171 5.812 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.485 -5.557 6.230 1.00 0.00 C ATOM 1526 C TYR A 98 -8.502 -5.671 7.755 1.00 0.00 C ATOM 1527 O TYR A 98 -9.330 -6.384 8.319 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.246 -6.276 5.691 1.00 0.00 C ATOM 1529 CG TYR A 98 -7.028 -7.669 6.285 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -6.522 -7.803 7.562 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -7.336 -8.792 5.544 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -6.316 -9.114 8.121 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -7.131 -10.103 6.103 1.00 0.00 C ATOM 1534 CZ TYR A 98 -6.631 -10.199 7.364 1.00 0.00 C ATOM 1535 OH TYR A 98 -6.436 -11.437 7.892 1.00 0.00 O ATOM 0 H TYR A 98 -7.513 -3.963 5.276 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.414 -5.986 5.856 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.332 -6.363 4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.367 -5.664 5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -6.281 -6.925 8.142 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -7.731 -8.687 4.544 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -5.920 -9.233 9.119 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.369 -10.990 5.534 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.705 -12.117 7.240 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.577 -4.957 8.380 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.475 -4.969 9.830 1.00 0.00 C ATOM 1547 C HIS A 99 -8.834 -4.624 10.442 1.00 0.00 C ATOM 1548 O HIS A 99 -9.427 -5.440 11.147 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.358 -4.037 10.304 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.813 -2.980 11.282 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.566 -3.273 12.405 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.612 -1.631 11.293 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -7.803 -2.144 13.056 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.212 -1.127 12.365 1.00 0.00 N ATOM 0 H HIS A 99 -6.891 -4.366 7.909 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.204 -5.968 10.171 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.574 -4.634 10.769 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.914 -3.548 9.437 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.059 -1.068 10.555 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.365 -2.046 13.973 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.228 -0.142 12.628 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.288 -3.414 10.152 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.567 -2.951 10.665 1.00 0.00 C ATOM 1564 C LEU A 100 -11.652 -3.970 10.313 1.00 0.00 C ATOM 1565 O LEU A 100 -12.452 -4.350 11.166 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.865 -1.536 10.164 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.141 -0.401 10.891 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -10.026 0.836 9.998 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.818 -0.084 12.225 1.00 0.00 C ATOM 0 H LEU A 100 -8.793 -2.740 9.568 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.538 -2.879 11.752 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.608 -1.485 9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.939 -1.363 10.240 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.127 -0.731 11.116 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.508 1.628 10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.466 0.584 9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.023 1.179 9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.283 0.726 12.721 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.850 0.218 12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.804 -0.970 12.860 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.644 -4.383 9.054 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.618 -5.351 8.578 1.00 0.00 C ATOM 1583 C GLY A 101 -13.426 -4.785 7.408 1.00 0.00 C ATOM 1584 O GLY A 101 -14.651 -4.696 7.480 1.00 0.00 O ATOM 0 H GLY A 101 -10.979 -4.065 8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.108 -6.262 8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.291 -5.625 9.391 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.708 -4.418 6.357 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.342 -3.864 5.173 1.00 0.00 C ATOM 1590 C VAL A 102 -13.123 -4.811 3.992 1.00 0.00 C ATOM 1591 O VAL A 102 -14.061 -5.124 3.260 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.818 -2.451 4.912 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.457 -1.853 3.657 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.046 -1.548 6.126 1.00 0.00 C ATOM 0 H VAL A 102 -11.692 -4.494 6.301 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.418 -3.775 5.322 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.743 -2.519 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.067 -0.848 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.221 -2.478 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.538 -1.806 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.664 -0.549 5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.113 -1.490 6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.523 -1.960 6.989 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.878 -5.241 3.842 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.524 -6.146 2.762 1.00 0.00 C ATOM 1606 C ILE A 103 -11.393 -7.566 3.315 1.00 0.00 C ATOM 1607 O ILE A 103 -11.553 -7.787 4.514 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.271 -5.650 2.037 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.185 -5.242 3.035 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.611 -4.518 1.066 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.816 -5.170 2.356 1.00 0.00 C ATOM 0 H ILE A 103 -11.102 -4.979 4.451 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.312 -6.168 2.009 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.871 -6.473 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.431 -4.273 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.151 -5.960 3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.703 -4.184 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.324 -4.877 0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.048 -3.685 1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.062 -4.878 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.563 -6.147 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.847 -4.434 1.553 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.104 -8.494 2.413 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.950 -9.887 2.796 1.00 0.00 C ATOM 1625 C GLU A 104 -9.655 -10.457 2.212 1.00 0.00 C ATOM 1626 O GLU A 104 -9.268 -10.112 1.097 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.160 -10.713 2.357 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.398 -10.580 0.851 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.858 -10.874 0.499 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.358 -11.915 0.977 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.439 -10.051 -0.241 1.00 0.00 O ATOM 0 H GLU A 104 -10.973 -8.308 1.419 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.890 -9.941 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.002 -11.761 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.046 -10.383 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.137 -9.573 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.745 -11.268 0.314 1.00 0.00 H new