USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 803 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 79 CYS SG : rot 170:sc= -0.236 USER MOD Set 1.2: A 83 MET CE :methyl 162:sc= -0.0546 (180deg=-0.856) USER MOD Set 2.1: A 29 THR OG1 : rot -160:sc= -1.11 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.163 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0391 K(o=-0.039,f=-1.6!) USER MOD Single : A 28 ASN : amide:sc= -0.09 K(o=-0.09,f=-1.7!) USER MOD Single : A 37 SER OG : rot 170:sc= -0.758 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -1.45 USER MOD Single : A 46 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.4!) USER MOD Single : A 50 ASN : amide:sc= -0.351 K(o=-0.35,f=-1.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.22 K(o=-1.2,f=-5.8!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -17:sc= -0.149 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.54 K(o=-0.54,f=-4.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0378) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -2.62! C(o=-2.6!,f=-2.4!) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.109 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ALA A 18 12.884 -6.558 0.992 1.00 10.34 N ATOM 202 CA ALA A 18 12.028 -6.554 2.174 1.00 5.24 C ATOM 203 C ALA A 18 10.593 -6.194 1.810 1.00 34.43 C ATOM 204 O ALA A 18 10.341 -5.565 0.784 1.00 72.42 O ATOM 205 CB ALA A 18 12.571 -5.585 3.214 1.00 2.03 C ATOM 0 HA ALA A 18 12.026 -7.559 2.596 1.00 5.24 H new ATOM 0 HB1 ALA A 18 11.923 -5.592 4.091 1.00 2.03 H new ATOM 0 HB2 ALA A 18 13.577 -5.888 3.504 1.00 2.03 H new ATOM 0 HB3 ALA A 18 12.602 -4.580 2.794 1.00 2.03 H new ATOM 211 N SER A 19 9.653 -6.599 2.660 1.00 62.13 N ATOM 212 CA SER A 19 8.241 -6.323 2.426 1.00 24.10 C ATOM 213 C SER A 19 7.383 -6.889 3.554 1.00 54.45 C ATOM 214 O SER A 19 6.615 -7.833 3.370 1.00 72.33 O ATOM 215 CB SER A 19 7.798 -6.916 1.086 1.00 2.34 C ATOM 216 OG SER A 19 8.599 -8.029 0.733 1.00 25.05 O ATOM 0 H SER A 19 9.845 -7.119 3.516 1.00 62.13 H new ATOM 0 HA SER A 19 8.107 -5.242 2.398 1.00 24.10 H new ATOM 0 HB2 SER A 19 6.753 -7.220 1.147 1.00 2.34 H new ATOM 0 HB3 SER A 19 7.864 -6.155 0.308 1.00 2.34 H new ATOM 0 HG SER A 19 8.296 -8.391 -0.126 1.00 25.05 H new ATOM 222 N PRO A 20 7.515 -6.295 4.751 1.00 24.12 N ATOM 223 CA PRO A 20 6.760 -6.723 5.932 1.00 53.32 C ATOM 224 C PRO A 20 5.276 -6.391 5.823 1.00 52.21 C ATOM 225 O PRO A 20 4.422 -7.188 6.211 1.00 64.24 O ATOM 226 CB PRO A 20 7.404 -5.926 7.070 1.00 2.03 C ATOM 227 CG PRO A 20 7.979 -4.721 6.411 1.00 11.34 C ATOM 228 CD PRO A 20 8.412 -5.165 5.041 1.00 22.03 C ATOM 0 HA PRO A 20 6.800 -7.803 6.073 1.00 53.32 H new ATOM 0 HB2 PRO A 20 6.669 -5.651 7.826 1.00 2.03 H new ATOM 0 HB3 PRO A 20 8.176 -6.508 7.573 1.00 2.03 H new ATOM 0 HG2 PRO A 20 7.241 -3.922 6.347 1.00 11.34 H new ATOM 0 HG3 PRO A 20 8.823 -4.331 6.980 1.00 11.34 H new ATOM 0 HD2 PRO A 20 8.304 -4.367 4.307 1.00 22.03 H new ATOM 0 HD3 PRO A 20 9.459 -5.469 5.029 1.00 22.03 H new ATOM 236 N ALA A 21 4.975 -5.210 5.293 1.00 45.41 N ATOM 237 CA ALA A 21 3.594 -4.774 5.131 1.00 25.33 C ATOM 238 C ALA A 21 2.830 -5.711 4.201 1.00 61.31 C ATOM 239 O ALA A 21 1.631 -5.935 4.377 1.00 13.52 O ATOM 240 CB ALA A 21 3.550 -3.349 4.600 1.00 54.43 C ATOM 0 H ALA A 21 5.670 -4.538 4.968 1.00 45.41 H new ATOM 0 HA ALA A 21 3.112 -4.801 6.108 1.00 25.33 H new ATOM 0 HB1 ALA A 21 2.512 -3.036 4.484 1.00 54.43 H new ATOM 0 HB2 ALA A 21 4.053 -2.684 5.301 1.00 54.43 H new ATOM 0 HB3 ALA A 21 4.053 -3.305 3.634 1.00 54.43 H new ATOM 246 N VAL A 22 3.527 -6.255 3.209 1.00 11.34 N ATOM 247 CA VAL A 22 2.914 -7.167 2.253 1.00 23.41 C ATOM 248 C VAL A 22 2.496 -8.469 2.926 1.00 65.01 C ATOM 249 O VAL A 22 1.371 -8.937 2.750 1.00 4.53 O ATOM 250 CB VAL A 22 3.872 -7.488 1.090 1.00 24.32 C ATOM 251 CG1 VAL A 22 3.147 -8.264 -0.001 1.00 13.53 C ATOM 252 CG2 VAL A 22 4.479 -6.209 0.532 1.00 33.20 C ATOM 0 H VAL A 22 4.519 -6.079 3.047 1.00 11.34 H new ATOM 0 HA VAL A 22 2.030 -6.665 1.859 1.00 23.41 H new ATOM 0 HB VAL A 22 4.681 -8.112 1.470 1.00 24.32 H new ATOM 0 HG11 VAL A 22 3.840 -8.482 -0.814 1.00 13.53 H new ATOM 0 HG12 VAL A 22 2.765 -9.198 0.410 1.00 13.53 H new ATOM 0 HG13 VAL A 22 2.317 -7.668 -0.381 1.00 13.53 H new ATOM 0 HG21 VAL A 22 5.153 -6.454 -0.289 1.00 33.20 H new ATOM 0 HG22 VAL A 22 3.684 -5.558 0.167 1.00 33.20 H new ATOM 0 HG23 VAL A 22 5.035 -5.697 1.318 1.00 33.20 H new ATOM 262 N ALA A 23 3.409 -9.051 3.697 1.00 53.30 N ATOM 263 CA ALA A 23 3.134 -10.298 4.400 1.00 71.22 C ATOM 264 C ALA A 23 2.092 -10.093 5.495 1.00 42.22 C ATOM 265 O ALA A 23 1.190 -10.913 5.666 1.00 45.03 O ATOM 266 CB ALA A 23 4.417 -10.866 4.988 1.00 53.51 C ATOM 0 H ALA A 23 4.346 -8.678 3.851 1.00 53.30 H new ATOM 0 HA ALA A 23 2.731 -11.011 3.681 1.00 71.22 H new ATOM 0 HB1 ALA A 23 4.197 -11.797 5.510 1.00 53.51 H new ATOM 0 HB2 ALA A 23 5.130 -11.059 4.187 1.00 53.51 H new ATOM 0 HB3 ALA A 23 4.844 -10.149 5.689 1.00 53.51 H new ATOM 272 N GLU A 24 2.224 -8.996 6.233 1.00 35.10 N ATOM 273 CA GLU A 24 1.294 -8.686 7.312 1.00 1.11 C ATOM 274 C GLU A 24 -0.126 -8.519 6.777 1.00 41.45 C ATOM 275 O GLU A 24 -1.093 -8.950 7.404 1.00 32.24 O ATOM 276 CB GLU A 24 1.729 -7.413 8.041 1.00 31.51 C ATOM 277 CG GLU A 24 2.610 -7.675 9.251 1.00 25.21 C ATOM 278 CD GLU A 24 3.821 -6.763 9.299 1.00 43.34 C ATOM 279 OE1 GLU A 24 3.733 -5.631 8.778 1.00 62.21 O ATOM 280 OE2 GLU A 24 4.857 -7.181 9.856 1.00 51.13 O ATOM 0 H GLU A 24 2.965 -8.307 6.104 1.00 35.10 H new ATOM 0 HA GLU A 24 1.303 -9.519 8.014 1.00 1.11 H new ATOM 0 HB2 GLU A 24 2.266 -6.771 7.343 1.00 31.51 H new ATOM 0 HB3 GLU A 24 0.842 -6.866 8.360 1.00 31.51 H new ATOM 0 HG2 GLU A 24 2.023 -7.541 10.159 1.00 25.21 H new ATOM 0 HG3 GLU A 24 2.942 -8.713 9.236 1.00 25.21 H new ATOM 287 N LEU A 25 -0.241 -7.889 5.613 1.00 21.34 N ATOM 288 CA LEU A 25 -1.542 -7.664 4.992 1.00 64.23 C ATOM 289 C LEU A 25 -2.116 -8.966 4.442 1.00 51.35 C ATOM 290 O LEU A 25 -3.322 -9.208 4.527 1.00 64.30 O ATOM 291 CB LEU A 25 -1.420 -6.633 3.867 1.00 11.13 C ATOM 292 CG LEU A 25 -1.676 -5.178 4.260 1.00 72.24 C ATOM 293 CD1 LEU A 25 -3.166 -4.876 4.249 1.00 72.23 C ATOM 294 CD2 LEU A 25 -1.080 -4.883 5.630 1.00 52.24 C ATOM 0 H LEU A 25 0.550 -7.525 5.081 1.00 21.34 H new ATOM 0 HA LEU A 25 -2.220 -7.283 5.755 1.00 64.23 H new ATOM 0 HB2 LEU A 25 -0.418 -6.703 3.444 1.00 11.13 H new ATOM 0 HB3 LEU A 25 -2.120 -6.903 3.076 1.00 11.13 H new ATOM 0 HG LEU A 25 -1.190 -4.533 3.528 1.00 72.24 H new ATOM 0 HD11 LEU A 25 -3.329 -3.836 4.531 1.00 72.23 H new ATOM 0 HD12 LEU A 25 -3.565 -5.047 3.249 1.00 72.23 H new ATOM 0 HD13 LEU A 25 -3.675 -5.528 4.959 1.00 72.23 H new ATOM 0 HD21 LEU A 25 -1.272 -3.843 5.894 1.00 52.24 H new ATOM 0 HD22 LEU A 25 -1.537 -5.536 6.374 1.00 52.24 H new ATOM 0 HD23 LEU A 25 -0.005 -5.059 5.604 1.00 52.24 H new ATOM 306 N CYS A 26 -1.248 -9.801 3.885 1.00 32.25 N ATOM 307 CA CYS A 26 -1.668 -11.081 3.324 1.00 72.42 C ATOM 308 C CYS A 26 -2.367 -11.933 4.378 1.00 4.21 C ATOM 309 O CYS A 26 -3.111 -12.856 4.050 1.00 70.54 O ATOM 310 CB CYS A 26 -0.463 -11.833 2.757 1.00 34.24 C ATOM 311 SG CYS A 26 -0.812 -12.743 1.234 1.00 71.51 S ATOM 0 H CYS A 26 -0.248 -9.616 3.809 1.00 32.25 H new ATOM 0 HA CYS A 26 -2.374 -10.883 2.518 1.00 72.42 H new ATOM 0 HB2 CYS A 26 0.340 -11.121 2.566 1.00 34.24 H new ATOM 0 HB3 CYS A 26 -0.097 -12.532 3.509 1.00 34.24 H new ATOM 0 HG CYS A 26 0.268 -13.344 0.831 1.00 71.51 H new ATOM 317 N GLN A 27 -2.116 -11.619 5.646 1.00 73.45 N ATOM 318 CA GLN A 27 -2.720 -12.359 6.748 1.00 3.34 C ATOM 319 C GLN A 27 -4.238 -12.221 6.731 1.00 14.41 C ATOM 320 O GLN A 27 -4.948 -12.989 7.377 1.00 10.34 O ATOM 321 CB GLN A 27 -2.166 -11.865 8.086 1.00 60.02 C ATOM 322 CG GLN A 27 -0.647 -11.896 8.164 1.00 65.21 C ATOM 323 CD GLN A 27 -0.135 -11.805 9.588 1.00 62.24 C ATOM 324 OE1 GLN A 27 -0.905 -11.894 10.544 1.00 40.04 O ATOM 325 NE2 GLN A 27 1.173 -11.629 9.736 1.00 55.25 N ATOM 0 H GLN A 27 -1.500 -10.859 5.935 1.00 73.45 H new ATOM 0 HA GLN A 27 -2.469 -13.412 6.625 1.00 3.34 H new ATOM 0 HB2 GLN A 27 -2.510 -10.845 8.258 1.00 60.02 H new ATOM 0 HB3 GLN A 27 -2.575 -12.479 8.888 1.00 60.02 H new ATOM 0 HG2 GLN A 27 -0.282 -12.817 7.709 1.00 65.21 H new ATOM 0 HG3 GLN A 27 -0.240 -11.069 7.582 1.00 65.21 H new ATOM 0 HE21 GLN A 27 1.774 -11.561 8.915 1.00 55.25 H new ATOM 0 HE22 GLN A 27 1.576 -11.562 10.671 1.00 55.25 H new ATOM 334 N ASN A 28 -4.729 -11.235 5.987 1.00 2.40 N ATOM 335 CA ASN A 28 -6.164 -10.995 5.886 1.00 75.10 C ATOM 336 C ASN A 28 -6.737 -11.636 4.627 1.00 22.24 C ATOM 337 O ASN A 28 -7.613 -12.498 4.698 1.00 23.32 O ATOM 338 CB ASN A 28 -6.451 -9.492 5.882 1.00 35.31 C ATOM 339 CG ASN A 28 -7.873 -9.175 6.304 1.00 64.23 C ATOM 340 OD1 ASN A 28 -8.504 -9.944 7.029 1.00 13.44 O ATOM 341 ND2 ASN A 28 -8.384 -8.036 5.851 1.00 41.53 N ATOM 0 H ASN A 28 -4.154 -10.589 5.445 1.00 2.40 H new ATOM 0 HA ASN A 28 -6.644 -11.449 6.753 1.00 75.10 H new ATOM 0 HB2 ASN A 28 -5.755 -8.990 6.554 1.00 35.31 H new ATOM 0 HB3 ASN A 28 -6.274 -9.093 4.883 1.00 35.31 H new ATOM 0 HD21 ASN A 28 -9.336 -7.769 6.102 1.00 41.53 H new ATOM 0 HD22 ASN A 28 -7.825 -7.429 5.252 1.00 41.53 H new ATOM 348 N THR A 29 -6.233 -11.212 3.472 1.00 40.03 N ATOM 349 CA THR A 29 -6.693 -11.744 2.195 1.00 14.35 C ATOM 350 C THR A 29 -5.837 -11.230 1.044 1.00 11.25 C ATOM 351 O THR A 29 -5.301 -10.121 1.083 1.00 63.31 O ATOM 352 CB THR A 29 -8.165 -11.373 1.931 1.00 64.51 C ATOM 353 OG1 THR A 29 -8.629 -10.460 2.932 1.00 24.04 O ATOM 354 CG2 THR A 29 -9.043 -12.615 1.923 1.00 55.11 C ATOM 0 H THR A 29 -5.506 -10.501 3.395 1.00 40.03 H new ATOM 0 HA THR A 29 -6.603 -12.829 2.253 1.00 14.35 H new ATOM 0 HB THR A 29 -8.226 -10.898 0.952 1.00 64.51 H new ATOM 0 HG1 THR A 29 -9.609 -10.473 2.958 1.00 24.04 H new ATOM 0 HG21 THR A 29 -10.078 -12.328 1.735 1.00 55.11 H new ATOM 0 HG22 THR A 29 -8.706 -13.294 1.139 1.00 55.11 H new ATOM 0 HG23 THR A 29 -8.975 -13.115 2.889 1.00 55.11 H new ATOM 362 N PRO A 30 -5.702 -12.052 -0.007 1.00 74.41 N ATOM 363 CA PRO A 30 -4.912 -11.700 -1.191 1.00 1.12 C ATOM 364 C PRO A 30 -5.561 -10.594 -2.013 1.00 72.34 C ATOM 365 O PRO A 30 -4.922 -9.593 -2.337 1.00 72.44 O ATOM 366 CB PRO A 30 -4.869 -13.006 -1.989 1.00 53.10 C ATOM 367 CG PRO A 30 -6.087 -13.750 -1.564 1.00 32.34 C ATOM 368 CD PRO A 30 -6.313 -13.387 -0.122 1.00 40.44 C ATOM 0 HA PRO A 30 -3.928 -11.314 -0.925 1.00 1.12 H new ATOM 0 HB2 PRO A 30 -4.876 -12.815 -3.062 1.00 53.10 H new ATOM 0 HB3 PRO A 30 -3.963 -13.573 -1.772 1.00 53.10 H new ATOM 0 HG2 PRO A 30 -6.946 -13.473 -2.175 1.00 32.34 H new ATOM 0 HG3 PRO A 30 -5.947 -14.825 -1.678 1.00 32.34 H new ATOM 0 HD2 PRO A 30 -7.374 -13.366 0.126 1.00 40.44 H new ATOM 0 HD3 PRO A 30 -5.843 -14.104 0.551 1.00 40.44 H new ATOM 376 N GLU A 31 -6.834 -10.782 -2.349 1.00 43.24 N ATOM 377 CA GLU A 31 -7.568 -9.797 -3.136 1.00 54.12 C ATOM 378 C GLU A 31 -7.781 -8.513 -2.340 1.00 73.54 C ATOM 379 O GLU A 31 -7.716 -7.411 -2.886 1.00 72.30 O ATOM 380 CB GLU A 31 -8.919 -10.367 -3.575 1.00 31.14 C ATOM 381 CG GLU A 31 -9.690 -9.453 -4.511 1.00 21.53 C ATOM 382 CD GLU A 31 -9.572 -9.871 -5.964 1.00 24.11 C ATOM 383 OE1 GLU A 31 -8.473 -9.718 -6.538 1.00 54.51 O ATOM 384 OE2 GLU A 31 -10.577 -10.352 -6.527 1.00 64.34 O ATOM 0 H GLU A 31 -7.377 -11.605 -2.089 1.00 43.24 H new ATOM 0 HA GLU A 31 -6.975 -9.562 -4.020 1.00 54.12 H new ATOM 0 HB2 GLU A 31 -8.756 -11.325 -4.069 1.00 31.14 H new ATOM 0 HB3 GLU A 31 -9.526 -10.563 -2.691 1.00 31.14 H new ATOM 0 HG2 GLU A 31 -10.741 -9.447 -4.223 1.00 21.53 H new ATOM 0 HG3 GLU A 31 -9.323 -8.433 -4.400 1.00 21.53 H new ATOM 391 N THR A 32 -8.036 -8.663 -1.043 1.00 73.54 N ATOM 392 CA THR A 32 -8.260 -7.517 -0.172 1.00 34.12 C ATOM 393 C THR A 32 -6.984 -6.705 0.008 1.00 50.44 C ATOM 394 O THR A 32 -7.013 -5.473 0.005 1.00 32.31 O ATOM 395 CB THR A 32 -8.774 -7.956 1.212 1.00 55.24 C ATOM 396 OG1 THR A 32 -10.040 -8.614 1.079 1.00 14.15 O ATOM 397 CG2 THR A 32 -8.916 -6.761 2.143 1.00 43.35 C ATOM 0 H THR A 32 -8.092 -9.567 -0.574 1.00 73.54 H new ATOM 0 HA THR A 32 -9.017 -6.898 -0.654 1.00 34.12 H new ATOM 0 HB THR A 32 -8.048 -8.646 1.641 1.00 55.24 H new ATOM 0 HG1 THR A 32 -10.359 -8.891 1.963 1.00 14.15 H new ATOM 0 HG21 THR A 32 -9.280 -7.097 3.114 1.00 43.35 H new ATOM 0 HG22 THR A 32 -7.946 -6.279 2.267 1.00 43.35 H new ATOM 0 HG23 THR A 32 -9.623 -6.050 1.717 1.00 43.35 H new ATOM 405 N PHE A 33 -5.862 -7.400 0.165 1.00 63.20 N ATOM 406 CA PHE A 33 -4.573 -6.742 0.346 1.00 24.44 C ATOM 407 C PHE A 33 -4.158 -6.002 -0.923 1.00 15.43 C ATOM 408 O PHE A 33 -3.611 -4.901 -0.860 1.00 4.51 O ATOM 409 CB PHE A 33 -3.503 -7.768 0.725 1.00 2.21 C ATOM 410 CG PHE A 33 -2.120 -7.383 0.283 1.00 33.00 C ATOM 411 CD1 PHE A 33 -1.551 -6.191 0.702 1.00 52.44 C ATOM 412 CD2 PHE A 33 -1.389 -8.212 -0.552 1.00 5.12 C ATOM 413 CE1 PHE A 33 -0.279 -5.833 0.297 1.00 31.34 C ATOM 414 CE2 PHE A 33 -0.116 -7.860 -0.959 1.00 44.55 C ATOM 415 CZ PHE A 33 0.440 -6.668 -0.535 1.00 32.23 C ATOM 0 H PHE A 33 -5.819 -8.419 0.171 1.00 63.20 H new ATOM 0 HA PHE A 33 -4.673 -6.016 1.153 1.00 24.44 H new ATOM 0 HB2 PHE A 33 -3.506 -7.902 1.807 1.00 2.21 H new ATOM 0 HB3 PHE A 33 -3.762 -8.731 0.284 1.00 2.21 H new ATOM 0 HD1 PHE A 33 -2.108 -5.534 1.353 1.00 52.44 H new ATOM 0 HD2 PHE A 33 -1.819 -9.144 -0.889 1.00 5.12 H new ATOM 0 HE1 PHE A 33 0.152 -4.901 0.631 1.00 31.34 H new ATOM 0 HE2 PHE A 33 0.444 -8.516 -1.608 1.00 44.55 H new ATOM 0 HZ PHE A 33 1.434 -6.390 -0.853 1.00 32.23 H new ATOM 425 N LEU A 34 -4.420 -6.615 -2.072 1.00 10.32 N ATOM 426 CA LEU A 34 -4.074 -6.016 -3.356 1.00 12.51 C ATOM 427 C LEU A 34 -4.772 -4.671 -3.534 1.00 1.40 C ATOM 428 O LEU A 34 -4.145 -3.682 -3.912 1.00 50.10 O ATOM 429 CB LEU A 34 -4.453 -6.956 -4.499 1.00 33.40 C ATOM 430 CG LEU A 34 -3.317 -7.371 -5.434 1.00 64.03 C ATOM 431 CD1 LEU A 34 -2.847 -6.184 -6.260 1.00 3.14 C ATOM 432 CD2 LEU A 34 -2.161 -7.961 -4.638 1.00 40.15 C ATOM 0 H LEU A 34 -4.871 -7.527 -2.141 1.00 10.32 H new ATOM 0 HA LEU A 34 -2.997 -5.851 -3.374 1.00 12.51 H new ATOM 0 HB2 LEU A 34 -4.891 -7.857 -4.071 1.00 33.40 H new ATOM 0 HB3 LEU A 34 -5.229 -6.476 -5.095 1.00 33.40 H new ATOM 0 HG LEU A 34 -3.691 -8.136 -6.114 1.00 64.03 H new ATOM 0 HD11 LEU A 34 -2.038 -6.497 -6.920 1.00 3.14 H new ATOM 0 HD12 LEU A 34 -3.676 -5.805 -6.857 1.00 3.14 H new ATOM 0 HD13 LEU A 34 -2.489 -5.397 -5.596 1.00 3.14 H new ATOM 0 HD21 LEU A 34 -1.361 -8.251 -5.319 1.00 40.15 H new ATOM 0 HD22 LEU A 34 -1.787 -7.217 -3.934 1.00 40.15 H new ATOM 0 HD23 LEU A 34 -2.507 -8.838 -4.090 1.00 40.15 H new ATOM 444 N GLU A 35 -6.071 -4.643 -3.258 1.00 72.52 N ATOM 445 CA GLU A 35 -6.854 -3.418 -3.388 1.00 4.13 C ATOM 446 C GLU A 35 -6.550 -2.456 -2.242 1.00 74.24 C ATOM 447 O GLU A 35 -6.375 -1.257 -2.455 1.00 72.01 O ATOM 448 CB GLU A 35 -8.349 -3.741 -3.413 1.00 24.32 C ATOM 449 CG GLU A 35 -8.986 -3.560 -4.781 1.00 32.15 C ATOM 450 CD GLU A 35 -8.271 -4.340 -5.867 1.00 43.01 C ATOM 451 OE1 GLU A 35 -7.965 -5.529 -5.641 1.00 34.31 O ATOM 452 OE2 GLU A 35 -8.016 -3.760 -6.944 1.00 52.03 O ATOM 0 H GLU A 35 -6.604 -5.453 -2.943 1.00 72.52 H new ATOM 0 HA GLU A 35 -6.578 -2.939 -4.327 1.00 4.13 H new ATOM 0 HB2 GLU A 35 -8.496 -4.770 -3.086 1.00 24.32 H new ATOM 0 HB3 GLU A 35 -8.863 -3.102 -2.695 1.00 24.32 H new ATOM 0 HG2 GLU A 35 -10.028 -3.878 -4.737 1.00 32.15 H new ATOM 0 HG3 GLU A 35 -8.986 -2.501 -5.040 1.00 32.15 H new ATOM 459 N ALA A 36 -6.491 -2.991 -1.027 1.00 24.22 N ATOM 460 CA ALA A 36 -6.208 -2.181 0.151 1.00 34.45 C ATOM 461 C ALA A 36 -4.822 -1.553 0.065 1.00 11.04 C ATOM 462 O ALA A 36 -4.572 -0.496 0.645 1.00 33.11 O ATOM 463 CB ALA A 36 -6.332 -3.023 1.412 1.00 11.01 C ATOM 0 H ALA A 36 -6.635 -3.982 -0.833 1.00 24.22 H new ATOM 0 HA ALA A 36 -6.941 -1.375 0.192 1.00 34.45 H new ATOM 0 HB1 ALA A 36 -6.118 -2.405 2.284 1.00 11.01 H new ATOM 0 HB2 ALA A 36 -7.345 -3.419 1.487 1.00 11.01 H new ATOM 0 HB3 ALA A 36 -5.622 -3.849 1.369 1.00 11.01 H new ATOM 469 N SER A 37 -3.923 -2.210 -0.659 1.00 22.32 N ATOM 470 CA SER A 37 -2.559 -1.718 -0.816 1.00 23.41 C ATOM 471 C SER A 37 -2.461 -0.761 -2.000 1.00 54.42 C ATOM 472 O SER A 37 -1.717 0.221 -1.959 1.00 24.21 O ATOM 473 CB SER A 37 -1.591 -2.888 -1.011 1.00 21.20 C ATOM 474 OG SER A 37 -0.283 -2.424 -1.297 1.00 42.04 O ATOM 0 H SER A 37 -4.114 -3.085 -1.147 1.00 22.32 H new ATOM 0 HA SER A 37 -2.287 -1.178 0.091 1.00 23.41 H new ATOM 0 HB2 SER A 37 -1.574 -3.504 -0.112 1.00 21.20 H new ATOM 0 HB3 SER A 37 -1.941 -3.523 -1.825 1.00 21.20 H new ATOM 0 HG SER A 37 0.346 -3.174 -1.258 1.00 42.04 H new ATOM 480 N LYS A 38 -3.217 -1.050 -3.053 1.00 3.15 N ATOM 481 CA LYS A 38 -3.217 -0.216 -4.248 1.00 15.40 C ATOM 482 C LYS A 38 -3.496 1.241 -3.894 1.00 55.24 C ATOM 483 O LYS A 38 -2.840 2.151 -4.402 1.00 30.51 O ATOM 484 CB LYS A 38 -4.263 -0.719 -5.245 1.00 65.24 C ATOM 485 CG LYS A 38 -3.969 -0.328 -6.684 1.00 15.23 C ATOM 486 CD LYS A 38 -5.249 -0.096 -7.470 1.00 42.34 C ATOM 487 CE LYS A 38 -5.943 1.188 -7.040 1.00 62.01 C ATOM 488 NZ LYS A 38 -7.043 1.562 -7.971 1.00 25.51 N ATOM 0 H LYS A 38 -3.839 -1.857 -3.103 1.00 3.15 H new ATOM 0 HA LYS A 38 -2.229 -0.278 -4.705 1.00 15.40 H new ATOM 0 HB2 LYS A 38 -4.324 -1.805 -5.178 1.00 65.24 H new ATOM 0 HB3 LYS A 38 -5.240 -0.327 -4.963 1.00 65.24 H new ATOM 0 HG2 LYS A 38 -3.362 0.577 -6.700 1.00 15.23 H new ATOM 0 HG3 LYS A 38 -3.384 -1.113 -7.163 1.00 15.23 H new ATOM 0 HD2 LYS A 38 -5.020 -0.048 -8.535 1.00 42.34 H new ATOM 0 HD3 LYS A 38 -5.923 -0.941 -7.327 1.00 42.34 H new ATOM 0 HE2 LYS A 38 -6.345 1.065 -6.034 1.00 62.01 H new ATOM 0 HE3 LYS A 38 -5.214 1.997 -6.995 1.00 62.01 H new ATOM 0 HZ1 LYS A 38 -7.491 2.442 -7.644 1.00 25.51 H new ATOM 0 HZ2 LYS A 38 -6.656 1.705 -8.926 1.00 25.51 H new ATOM 0 HZ3 LYS A 38 -7.752 0.801 -7.995 1.00 25.51 H new ATOM 502 N LEU A 39 -4.474 1.456 -3.020 1.00 1.33 N ATOM 503 CA LEU A 39 -4.839 2.803 -2.596 1.00 3.12 C ATOM 504 C LEU A 39 -3.650 3.514 -1.956 1.00 21.42 C ATOM 505 O LEU A 39 -3.373 4.676 -2.257 1.00 54.30 O ATOM 506 CB LEU A 39 -6.007 2.750 -1.610 1.00 50.02 C ATOM 507 CG LEU A 39 -7.373 2.409 -2.205 1.00 34.22 C ATOM 508 CD1 LEU A 39 -7.881 1.086 -1.651 1.00 73.22 C ATOM 509 CD2 LEU A 39 -8.371 3.523 -1.926 1.00 25.12 C ATOM 0 H LEU A 39 -5.028 0.715 -2.591 1.00 1.33 H new ATOM 0 HA LEU A 39 -5.142 3.365 -3.479 1.00 3.12 H new ATOM 0 HB2 LEU A 39 -5.774 2.013 -0.841 1.00 50.02 H new ATOM 0 HB3 LEU A 39 -6.081 3.717 -1.113 1.00 50.02 H new ATOM 0 HG LEU A 39 -7.262 2.310 -3.285 1.00 34.22 H new ATOM 0 HD11 LEU A 39 -8.855 0.859 -2.086 1.00 73.22 H new ATOM 0 HD12 LEU A 39 -7.178 0.292 -1.902 1.00 73.22 H new ATOM 0 HD13 LEU A 39 -7.975 1.157 -0.567 1.00 73.22 H new ATOM 0 HD21 LEU A 39 -9.337 3.262 -2.357 1.00 25.12 H new ATOM 0 HD22 LEU A 39 -8.478 3.655 -0.849 1.00 25.12 H new ATOM 0 HD23 LEU A 39 -8.014 4.452 -2.371 1.00 25.12 H new ATOM 521 N LEU A 40 -2.949 2.809 -1.076 1.00 33.32 N ATOM 522 CA LEU A 40 -1.789 3.371 -0.395 1.00 73.40 C ATOM 523 C LEU A 40 -0.713 3.776 -1.398 1.00 0.52 C ATOM 524 O LEU A 40 -0.087 4.828 -1.263 1.00 32.14 O ATOM 525 CB LEU A 40 -1.219 2.361 0.602 1.00 12.42 C ATOM 526 CG LEU A 40 -2.243 1.576 1.423 1.00 3.41 C ATOM 527 CD1 LEU A 40 -1.548 0.743 2.488 1.00 31.42 C ATOM 528 CD2 LEU A 40 -3.255 2.519 2.056 1.00 14.01 C ATOM 0 H LEU A 40 -3.164 1.846 -0.817 1.00 33.32 H new ATOM 0 HA LEU A 40 -2.111 4.262 0.144 1.00 73.40 H new ATOM 0 HB2 LEU A 40 -0.600 1.650 0.055 1.00 12.42 H new ATOM 0 HB3 LEU A 40 -0.561 2.892 1.290 1.00 12.42 H new ATOM 0 HG LEU A 40 -2.776 0.900 0.754 1.00 3.41 H new ATOM 0 HD11 LEU A 40 -2.293 0.192 3.062 1.00 31.42 H new ATOM 0 HD12 LEU A 40 -0.864 0.041 2.012 1.00 31.42 H new ATOM 0 HD13 LEU A 40 -0.988 1.399 3.155 1.00 31.42 H new ATOM 0 HD21 LEU A 40 -3.976 1.943 2.636 1.00 14.01 H new ATOM 0 HD22 LEU A 40 -2.739 3.220 2.712 1.00 14.01 H new ATOM 0 HD23 LEU A 40 -3.777 3.071 1.274 1.00 14.01 H new ATOM 540 N LEU A 41 -0.503 2.934 -2.404 1.00 75.50 N ATOM 541 CA LEU A 41 0.497 3.204 -3.431 1.00 71.35 C ATOM 542 C LEU A 41 0.164 4.485 -4.190 1.00 41.31 C ATOM 543 O LEU A 41 1.044 5.303 -4.467 1.00 31.25 O ATOM 544 CB LEU A 41 0.584 2.029 -4.408 1.00 31.04 C ATOM 545 CG LEU A 41 0.814 2.390 -5.875 1.00 74.14 C ATOM 546 CD1 LEU A 41 2.156 3.083 -6.050 1.00 42.32 C ATOM 547 CD2 LEU A 41 0.734 1.149 -6.749 1.00 73.23 C ATOM 0 H LEU A 41 -1.012 2.059 -2.530 1.00 75.50 H new ATOM 0 HA LEU A 41 1.461 3.333 -2.940 1.00 71.35 H new ATOM 0 HB2 LEU A 41 1.393 1.374 -4.085 1.00 31.04 H new ATOM 0 HB3 LEU A 41 -0.340 1.454 -4.337 1.00 31.04 H new ATOM 0 HG LEU A 41 0.029 3.079 -6.187 1.00 74.14 H new ATOM 0 HD11 LEU A 41 2.302 3.332 -7.101 1.00 42.32 H new ATOM 0 HD12 LEU A 41 2.175 3.996 -5.454 1.00 42.32 H new ATOM 0 HD13 LEU A 41 2.954 2.418 -5.720 1.00 42.32 H new ATOM 0 HD21 LEU A 41 0.900 1.426 -7.790 1.00 73.23 H new ATOM 0 HD22 LEU A 41 1.496 0.435 -6.437 1.00 73.23 H new ATOM 0 HD23 LEU A 41 -0.252 0.695 -6.647 1.00 73.23 H new ATOM 559 N THR A 42 -1.112 4.657 -4.523 1.00 11.13 N ATOM 560 CA THR A 42 -1.561 5.838 -5.248 1.00 53.45 C ATOM 561 C THR A 42 -1.363 7.101 -4.416 1.00 74.43 C ATOM 562 O THR A 42 -0.950 8.139 -4.934 1.00 73.20 O ATOM 563 CB THR A 42 -3.045 5.725 -5.645 1.00 13.35 C ATOM 564 OG1 THR A 42 -3.214 4.691 -6.620 1.00 2.45 O ATOM 565 CG2 THR A 42 -3.559 7.043 -6.201 1.00 54.14 C ATOM 0 H THR A 42 -1.853 3.992 -4.301 1.00 11.13 H new ATOM 0 HA THR A 42 -0.956 5.903 -6.152 1.00 53.45 H new ATOM 0 HB THR A 42 -3.619 5.478 -4.752 1.00 13.35 H new ATOM 0 HG1 THR A 42 -4.160 4.625 -6.866 1.00 2.45 H new ATOM 0 HG21 THR A 42 -4.609 6.938 -6.474 1.00 54.14 H new ATOM 0 HG22 THR A 42 -3.457 7.821 -5.445 1.00 54.14 H new ATOM 0 HG23 THR A 42 -2.980 7.316 -7.083 1.00 54.14 H new ATOM 573 N TYR A 43 -1.661 7.006 -3.125 1.00 42.31 N ATOM 574 CA TYR A 43 -1.518 8.143 -2.222 1.00 21.33 C ATOM 575 C TYR A 43 -0.053 8.548 -2.085 1.00 13.20 C ATOM 576 O TYR A 43 0.278 9.733 -2.103 1.00 62.30 O ATOM 577 CB TYR A 43 -2.097 7.804 -0.848 1.00 1.32 C ATOM 578 CG TYR A 43 -3.607 7.742 -0.825 1.00 2.41 C ATOM 579 CD1 TYR A 43 -4.372 8.741 -1.415 1.00 3.13 C ATOM 580 CD2 TYR A 43 -4.270 6.687 -0.211 1.00 24.14 C ATOM 581 CE1 TYR A 43 -5.752 8.689 -1.396 1.00 71.01 C ATOM 582 CE2 TYR A 43 -5.649 6.626 -0.189 1.00 21.51 C ATOM 583 CZ TYR A 43 -6.386 7.629 -0.782 1.00 53.24 C ATOM 584 OH TYR A 43 -7.761 7.573 -0.761 1.00 24.35 O ATOM 0 H TYR A 43 -2.003 6.154 -2.680 1.00 42.31 H new ATOM 0 HA TYR A 43 -2.070 8.983 -2.644 1.00 21.33 H new ATOM 0 HB2 TYR A 43 -1.697 6.844 -0.522 1.00 1.32 H new ATOM 0 HB3 TYR A 43 -1.762 8.550 -0.128 1.00 1.32 H new ATOM 0 HD1 TYR A 43 -3.879 9.572 -1.897 1.00 3.13 H new ATOM 0 HD2 TYR A 43 -3.697 5.901 0.257 1.00 24.14 H new ATOM 0 HE1 TYR A 43 -6.331 9.474 -1.859 1.00 71.01 H new ATOM 0 HE2 TYR A 43 -6.148 5.797 0.290 1.00 21.51 H new ATOM 0 HH TYR A 43 -8.048 6.762 -0.291 1.00 24.35 H new ATOM 594 N ALA A 44 0.818 7.554 -1.949 1.00 12.31 N ATOM 595 CA ALA A 44 2.247 7.806 -1.810 1.00 24.31 C ATOM 596 C ALA A 44 2.832 8.370 -3.101 1.00 12.23 C ATOM 597 O ALA A 44 3.811 9.117 -3.075 1.00 53.42 O ATOM 598 CB ALA A 44 2.972 6.528 -1.414 1.00 45.13 C ATOM 0 H ALA A 44 0.560 6.567 -1.932 1.00 12.31 H new ATOM 0 HA ALA A 44 2.386 8.548 -1.024 1.00 24.31 H new ATOM 0 HB1 ALA A 44 4.038 6.731 -1.314 1.00 45.13 H new ATOM 0 HB2 ALA A 44 2.580 6.167 -0.463 1.00 45.13 H new ATOM 0 HB3 ALA A 44 2.818 5.769 -2.181 1.00 45.13 H new ATOM 604 N ASP A 45 2.229 8.008 -4.227 1.00 2.13 N ATOM 605 CA ASP A 45 2.690 8.478 -5.527 1.00 63.24 C ATOM 606 C ASP A 45 2.704 10.003 -5.580 1.00 45.52 C ATOM 607 O ASP A 45 3.579 10.604 -6.203 1.00 64.10 O ATOM 608 CB ASP A 45 1.796 7.927 -6.640 1.00 24.24 C ATOM 609 CG ASP A 45 2.596 7.376 -7.804 1.00 30.32 C ATOM 610 OD1 ASP A 45 3.775 7.762 -7.951 1.00 22.12 O ATOM 611 OD2 ASP A 45 2.044 6.555 -8.567 1.00 11.21 O ATOM 0 H ASP A 45 1.419 7.390 -4.266 1.00 2.13 H new ATOM 0 HA ASP A 45 3.708 8.116 -5.675 1.00 63.24 H new ATOM 0 HB2 ASP A 45 1.160 7.140 -6.235 1.00 24.24 H new ATOM 0 HB3 ASP A 45 1.137 8.718 -6.998 1.00 24.24 H new ATOM 616 N ASN A 46 1.729 10.622 -4.922 1.00 12.11 N ATOM 617 CA ASN A 46 1.629 12.077 -4.896 1.00 23.02 C ATOM 618 C ASN A 46 2.819 12.691 -4.165 1.00 3.21 C ATOM 619 O ASN A 46 3.371 13.703 -4.598 1.00 61.11 O ATOM 620 CB ASN A 46 0.325 12.506 -4.219 1.00 43.32 C ATOM 621 CG ASN A 46 -0.818 12.644 -5.205 1.00 73.51 C ATOM 622 OD1 ASN A 46 -0.616 13.023 -6.359 1.00 74.41 O ATOM 623 ND2 ASN A 46 -2.029 12.337 -4.753 1.00 63.35 N ATOM 0 H ASN A 46 0.998 10.139 -4.400 1.00 12.11 H new ATOM 0 HA ASN A 46 1.633 12.436 -5.925 1.00 23.02 H new ATOM 0 HB2 ASN A 46 0.057 11.775 -3.456 1.00 43.32 H new ATOM 0 HB3 ASN A 46 0.479 13.457 -3.709 1.00 43.32 H new ATOM 0 HD21 ASN A 46 -2.838 12.411 -5.370 1.00 63.35 H new ATOM 0 HD22 ASN A 46 -2.150 12.027 -3.789 1.00 63.35 H new ATOM 630 N ILE A 47 3.211 12.071 -3.057 1.00 21.12 N ATOM 631 CA ILE A 47 4.337 12.555 -2.269 1.00 12.31 C ATOM 632 C ILE A 47 5.646 12.418 -3.039 1.00 52.43 C ATOM 633 O ILE A 47 6.450 13.352 -3.089 1.00 33.33 O ATOM 634 CB ILE A 47 4.458 11.796 -0.934 1.00 60.31 C ATOM 635 CG1 ILE A 47 3.378 12.264 0.044 1.00 70.01 C ATOM 636 CG2 ILE A 47 5.843 11.993 -0.337 1.00 30.42 C ATOM 637 CD1 ILE A 47 2.566 11.132 0.636 1.00 5.53 C ATOM 0 H ILE A 47 2.765 11.232 -2.685 1.00 21.12 H new ATOM 0 HA ILE A 47 4.148 13.608 -2.063 1.00 12.31 H new ATOM 0 HB ILE A 47 4.313 10.732 -1.123 1.00 60.31 H new ATOM 0 HG12 ILE A 47 3.849 12.824 0.852 1.00 70.01 H new ATOM 0 HG13 ILE A 47 2.707 12.951 -0.471 1.00 70.01 H new ATOM 0 HG21 ILE A 47 5.913 11.451 0.606 1.00 30.42 H new ATOM 0 HG22 ILE A 47 6.595 11.615 -1.030 1.00 30.42 H new ATOM 0 HG23 ILE A 47 6.015 13.055 -0.159 1.00 30.42 H new ATOM 0 HD11 ILE A 47 1.820 11.538 1.319 1.00 5.53 H new ATOM 0 HD12 ILE A 47 2.066 10.586 -0.164 1.00 5.53 H new ATOM 0 HD13 ILE A 47 3.226 10.456 1.179 1.00 5.53 H new ATOM 649 N LEU A 48 5.854 11.252 -3.639 1.00 52.15 N ATOM 650 CA LEU A 48 7.066 10.994 -4.408 1.00 64.42 C ATOM 651 C LEU A 48 7.086 11.826 -5.687 1.00 73.44 C ATOM 652 O LEU A 48 8.145 12.270 -6.134 1.00 33.53 O ATOM 653 CB LEU A 48 7.168 9.507 -4.752 1.00 74.22 C ATOM 654 CG LEU A 48 6.911 8.533 -3.602 1.00 1.25 C ATOM 655 CD1 LEU A 48 6.547 7.157 -4.138 1.00 24.30 C ATOM 656 CD2 LEU A 48 8.129 8.449 -2.693 1.00 35.12 C ATOM 0 H LEU A 48 5.200 10.470 -3.608 1.00 52.15 H new ATOM 0 HA LEU A 48 7.923 11.279 -3.797 1.00 64.42 H new ATOM 0 HB2 LEU A 48 6.459 9.290 -5.551 1.00 74.22 H new ATOM 0 HB3 LEU A 48 8.165 9.314 -5.149 1.00 74.22 H new ATOM 0 HG LEU A 48 6.070 8.905 -3.017 1.00 1.25 H new ATOM 0 HD11 LEU A 48 6.368 6.478 -3.305 1.00 24.30 H new ATOM 0 HD12 LEU A 48 5.646 7.230 -4.747 1.00 24.30 H new ATOM 0 HD13 LEU A 48 7.366 6.775 -4.747 1.00 24.30 H new ATOM 0 HD21 LEU A 48 7.929 7.751 -1.880 1.00 35.12 H new ATOM 0 HD22 LEU A 48 8.988 8.101 -3.267 1.00 35.12 H new ATOM 0 HD23 LEU A 48 8.344 9.435 -2.281 1.00 35.12 H new ATOM 668 N ARG A 49 5.910 12.035 -6.270 1.00 22.54 N ATOM 669 CA ARG A 49 5.793 12.813 -7.497 1.00 50.22 C ATOM 670 C ARG A 49 6.043 14.294 -7.226 1.00 5.45 C ATOM 671 O ARG A 49 6.704 14.976 -8.010 1.00 34.40 O ATOM 672 CB ARG A 49 4.407 12.626 -8.115 1.00 21.54 C ATOM 673 CG ARG A 49 4.269 11.344 -8.923 1.00 45.54 C ATOM 674 CD ARG A 49 5.218 11.332 -10.112 1.00 72.33 C ATOM 675 NE ARG A 49 4.500 11.350 -11.384 1.00 53.22 N ATOM 676 CZ ARG A 49 3.834 10.307 -11.869 1.00 55.20 C ATOM 677 NH1 ARG A 49 3.795 9.169 -11.189 1.00 35.34 N ATOM 678 NH2 ARG A 49 3.206 10.403 -13.033 1.00 31.22 N ATOM 0 H ARG A 49 5.025 11.676 -5.912 1.00 22.54 H new ATOM 0 HA ARG A 49 6.547 12.455 -8.198 1.00 50.22 H new ATOM 0 HB2 ARG A 49 3.661 12.627 -7.320 1.00 21.54 H new ATOM 0 HB3 ARG A 49 4.188 13.477 -8.759 1.00 21.54 H new ATOM 0 HG2 ARG A 49 4.474 10.485 -8.284 1.00 45.54 H new ATOM 0 HG3 ARG A 49 3.242 11.242 -9.274 1.00 45.54 H new ATOM 0 HD2 ARG A 49 5.880 12.196 -10.057 1.00 72.33 H new ATOM 0 HD3 ARG A 49 5.849 10.444 -10.064 1.00 72.33 H new ATOM 0 HE ARG A 49 4.510 12.211 -11.931 1.00 53.22 H new ATOM 0 HH11 ARG A 49 4.276 9.094 -10.293 1.00 35.34 H new ATOM 0 HH12 ARG A 49 3.284 8.369 -11.562 1.00 35.34 H new ATOM 0 HH21 ARG A 49 3.234 11.278 -13.557 1.00 31.22 H new ATOM 0 HH22 ARG A 49 2.695 9.602 -13.404 1.00 31.22 H new ATOM 692 N ASN A 50 5.512 14.785 -6.111 1.00 70.31 N ATOM 693 CA ASN A 50 5.677 16.185 -5.738 1.00 32.01 C ATOM 694 C ASN A 50 5.971 16.319 -4.247 1.00 4.44 C ATOM 695 O ASN A 50 5.158 16.819 -3.471 1.00 32.00 O ATOM 696 CB ASN A 50 4.421 16.982 -6.095 1.00 32.43 C ATOM 697 CG ASN A 50 3.866 16.607 -7.455 1.00 32.43 C ATOM 698 OD1 ASN A 50 4.585 16.606 -8.454 1.00 14.43 O ATOM 699 ND2 ASN A 50 2.577 16.287 -7.500 1.00 20.22 N ATOM 0 H ASN A 50 4.964 14.234 -5.450 1.00 70.31 H new ATOM 0 HA ASN A 50 6.524 16.586 -6.295 1.00 32.01 H new ATOM 0 HB2 ASN A 50 3.658 16.813 -5.335 1.00 32.43 H new ATOM 0 HB3 ASN A 50 4.654 18.047 -6.081 1.00 32.43 H new ATOM 0 HD21 ASN A 50 2.147 16.027 -8.388 1.00 20.22 H new ATOM 0 HD22 ASN A 50 2.018 16.301 -6.647 1.00 20.22 H new ATOM 706 N PRO A 51 7.164 15.863 -3.836 1.00 34.51 N ATOM 707 CA PRO A 51 7.595 15.920 -2.436 1.00 41.45 C ATOM 708 C PRO A 51 7.872 17.348 -1.974 1.00 0.33 C ATOM 709 O PRO A 51 8.084 17.596 -0.787 1.00 24.11 O ATOM 710 CB PRO A 51 8.884 15.096 -2.427 1.00 12.12 C ATOM 711 CG PRO A 51 9.398 15.180 -3.822 1.00 60.42 C ATOM 712 CD PRO A 51 8.184 15.255 -4.706 1.00 71.43 C ATOM 0 HA PRO A 51 6.829 15.544 -1.758 1.00 41.45 H new ATOM 0 HB2 PRO A 51 9.605 15.497 -1.715 1.00 12.12 H new ATOM 0 HB3 PRO A 51 8.691 14.063 -2.138 1.00 12.12 H new ATOM 0 HG2 PRO A 51 10.031 16.058 -3.953 1.00 60.42 H new ATOM 0 HG3 PRO A 51 10.006 14.309 -4.067 1.00 60.42 H new ATOM 0 HD2 PRO A 51 8.369 15.862 -5.592 1.00 71.43 H new ATOM 0 HD3 PRO A 51 7.879 14.268 -5.054 1.00 71.43 H new ATOM 720 N SER A 52 7.867 18.282 -2.919 1.00 15.30 N ATOM 721 CA SER A 52 8.122 19.685 -2.609 1.00 62.30 C ATOM 722 C SER A 52 6.826 20.406 -2.251 1.00 52.14 C ATOM 723 O SER A 52 6.827 21.356 -1.468 1.00 30.21 O ATOM 724 CB SER A 52 8.793 20.377 -3.797 1.00 52.03 C ATOM 725 OG SER A 52 7.875 20.574 -4.859 1.00 30.11 O ATOM 0 H SER A 52 7.689 18.094 -3.906 1.00 15.30 H new ATOM 0 HA SER A 52 8.790 19.727 -1.749 1.00 62.30 H new ATOM 0 HB2 SER A 52 9.199 21.338 -3.480 1.00 52.03 H new ATOM 0 HB3 SER A 52 9.633 19.776 -4.145 1.00 52.03 H new ATOM 0 HG SER A 52 8.328 21.019 -5.605 1.00 30.11 H new ATOM 731 N ASP A 53 5.721 19.947 -2.830 1.00 5.25 N ATOM 732 CA ASP A 53 4.417 20.546 -2.571 1.00 2.25 C ATOM 733 C ASP A 53 3.978 20.291 -1.133 1.00 54.52 C ATOM 734 O ASP A 53 3.733 19.150 -0.741 1.00 61.02 O ATOM 735 CB ASP A 53 3.375 19.989 -3.542 1.00 65.11 C ATOM 736 CG ASP A 53 2.362 21.034 -3.966 1.00 14.43 C ATOM 737 OD1 ASP A 53 1.949 21.842 -3.108 1.00 23.31 O ATOM 738 OD2 ASP A 53 1.981 21.043 -5.156 1.00 50.52 O ATOM 0 H ASP A 53 5.703 19.162 -3.481 1.00 5.25 H new ATOM 0 HA ASP A 53 4.503 21.622 -2.720 1.00 2.25 H new ATOM 0 HB2 ASP A 53 3.879 19.596 -4.425 1.00 65.11 H new ATOM 0 HB3 ASP A 53 2.856 19.153 -3.073 1.00 65.11 H new ATOM 743 N GLU A 54 3.882 21.363 -0.350 1.00 63.41 N ATOM 744 CA GLU A 54 3.474 21.254 1.045 1.00 63.14 C ATOM 745 C GLU A 54 2.130 20.541 1.165 1.00 13.41 C ATOM 746 O GLU A 54 1.805 19.976 2.209 1.00 11.54 O ATOM 747 CB GLU A 54 3.386 22.641 1.684 1.00 74.24 C ATOM 748 CG GLU A 54 4.734 23.323 1.845 1.00 51.21 C ATOM 749 CD GLU A 54 4.678 24.807 1.535 1.00 5.33 C ATOM 750 OE1 GLU A 54 4.337 25.162 0.389 1.00 22.33 O ATOM 751 OE2 GLU A 54 4.979 25.613 2.443 1.00 65.35 O ATOM 0 H GLU A 54 4.081 22.315 -0.659 1.00 63.41 H new ATOM 0 HA GLU A 54 4.226 20.666 1.571 1.00 63.14 H new ATOM 0 HB2 GLU A 54 2.739 23.272 1.075 1.00 74.24 H new ATOM 0 HB3 GLU A 54 2.914 22.552 2.663 1.00 74.24 H new ATOM 0 HG2 GLU A 54 5.089 23.182 2.866 1.00 51.21 H new ATOM 0 HG3 GLU A 54 5.460 22.845 1.187 1.00 51.21 H new ATOM 758 N LYS A 55 1.351 20.574 0.090 1.00 64.40 N ATOM 759 CA LYS A 55 0.042 19.930 0.070 1.00 11.02 C ATOM 760 C LYS A 55 0.177 18.419 0.224 1.00 72.42 C ATOM 761 O LYS A 55 -0.801 17.725 0.504 1.00 33.24 O ATOM 762 CB LYS A 55 -0.691 20.258 -1.232 1.00 43.30 C ATOM 763 CG LYS A 55 -0.010 19.704 -2.470 1.00 63.02 C ATOM 764 CD LYS A 55 -0.610 18.373 -2.890 1.00 30.23 C ATOM 765 CE LYS A 55 -0.543 18.182 -4.397 1.00 11.22 C ATOM 766 NZ LYS A 55 -0.775 16.763 -4.787 1.00 75.51 N ATOM 0 H LYS A 55 1.603 21.041 -0.781 1.00 64.40 H new ATOM 0 HA LYS A 55 -0.536 20.313 0.911 1.00 11.02 H new ATOM 0 HB2 LYS A 55 -1.705 19.862 -1.178 1.00 43.30 H new ATOM 0 HB3 LYS A 55 -0.776 21.340 -1.328 1.00 43.30 H new ATOM 0 HG2 LYS A 55 -0.102 20.419 -3.287 1.00 63.02 H new ATOM 0 HG3 LYS A 55 1.055 19.578 -2.275 1.00 63.02 H new ATOM 0 HD2 LYS A 55 -0.078 17.561 -2.395 1.00 30.23 H new ATOM 0 HD3 LYS A 55 -1.648 18.321 -2.561 1.00 30.23 H new ATOM 0 HE2 LYS A 55 -1.288 18.817 -4.877 1.00 11.22 H new ATOM 0 HE3 LYS A 55 0.433 18.504 -4.761 1.00 11.22 H new ATOM 0 HZ1 LYS A 55 -0.721 16.674 -5.822 1.00 75.51 H new ATOM 0 HZ2 LYS A 55 -0.050 16.160 -4.350 1.00 75.51 H new ATOM 0 HZ3 LYS A 55 -1.716 16.463 -4.462 1.00 75.51 H new ATOM 780 N TYR A 56 1.392 17.915 0.041 1.00 43.44 N ATOM 781 CA TYR A 56 1.654 16.486 0.158 1.00 33.13 C ATOM 782 C TYR A 56 1.526 16.027 1.607 1.00 5.32 C ATOM 783 O TYR A 56 1.496 14.828 1.889 1.00 51.20 O ATOM 784 CB TYR A 56 3.049 16.157 -0.373 1.00 22.14 C ATOM 785 CG TYR A 56 4.136 16.264 0.672 1.00 11.14 C ATOM 786 CD1 TYR A 56 4.255 17.398 1.465 1.00 0.32 C ATOM 787 CD2 TYR A 56 5.044 15.231 0.868 1.00 20.45 C ATOM 788 CE1 TYR A 56 5.247 17.501 2.421 1.00 22.54 C ATOM 789 CE2 TYR A 56 6.038 15.323 1.822 1.00 4.45 C ATOM 790 CZ TYR A 56 6.136 16.461 2.597 1.00 21.52 C ATOM 791 OH TYR A 56 7.125 16.559 3.548 1.00 64.20 O ATOM 0 H TYR A 56 2.212 18.476 -0.189 1.00 43.44 H new ATOM 0 HA TYR A 56 0.912 15.955 -0.439 1.00 33.13 H new ATOM 0 HB2 TYR A 56 3.045 15.145 -0.778 1.00 22.14 H new ATOM 0 HB3 TYR A 56 3.282 16.830 -1.198 1.00 22.14 H new ATOM 0 HD1 TYR A 56 3.560 18.214 1.332 1.00 0.32 H new ATOM 0 HD2 TYR A 56 4.971 14.339 0.263 1.00 20.45 H new ATOM 0 HE1 TYR A 56 5.326 18.391 3.027 1.00 22.54 H new ATOM 0 HE2 TYR A 56 6.735 14.509 1.961 1.00 4.45 H new ATOM 0 HH TYR A 56 7.665 15.741 3.544 1.00 64.20 H new ATOM 801 N ARG A 57 1.452 16.987 2.522 1.00 44.20 N ATOM 802 CA ARG A 57 1.331 16.683 3.942 1.00 73.32 C ATOM 803 C ARG A 57 -0.112 16.336 4.301 1.00 3.33 C ATOM 804 O ARG A 57 -0.419 16.030 5.453 1.00 23.22 O ATOM 805 CB ARG A 57 1.804 17.870 4.783 1.00 63.02 C ATOM 806 CG ARG A 57 3.309 17.903 4.996 1.00 0.11 C ATOM 807 CD ARG A 57 3.660 18.173 6.450 1.00 14.13 C ATOM 808 NE ARG A 57 3.149 19.463 6.908 1.00 71.22 N ATOM 809 CZ ARG A 57 3.667 20.630 6.542 1.00 64.02 C ATOM 810 NH1 ARG A 57 4.707 20.669 5.720 1.00 3.33 N ATOM 811 NH2 ARG A 57 3.147 21.761 7.000 1.00 73.44 N ATOM 0 H ARG A 57 1.474 17.983 2.305 1.00 44.20 H new ATOM 0 HA ARG A 57 1.961 15.820 4.158 1.00 73.32 H new ATOM 0 HB2 ARG A 57 1.494 18.795 4.297 1.00 63.02 H new ATOM 0 HB3 ARG A 57 1.309 17.838 5.753 1.00 63.02 H new ATOM 0 HG2 ARG A 57 3.742 16.952 4.687 1.00 0.11 H new ATOM 0 HG3 ARG A 57 3.750 18.674 4.365 1.00 0.11 H new ATOM 0 HD2 ARG A 57 3.251 17.379 7.075 1.00 14.13 H new ATOM 0 HD3 ARG A 57 4.743 18.149 6.572 1.00 14.13 H new ATOM 0 HE ARG A 57 2.351 19.468 7.543 1.00 71.22 H new ATOM 0 HH11 ARG A 57 5.111 19.801 5.367 1.00 3.33 H new ATOM 0 HH12 ARG A 57 5.103 21.567 5.441 1.00 3.33 H new ATOM 0 HH21 ARG A 57 2.348 21.735 7.634 1.00 73.44 H new ATOM 0 HH22 ARG A 57 3.546 22.657 6.718 1.00 73.44 H new ATOM 825 N SER A 58 -0.992 16.386 3.307 1.00 71.34 N ATOM 826 CA SER A 58 -2.403 16.082 3.518 1.00 24.54 C ATOM 827 C SER A 58 -3.003 15.407 2.288 1.00 12.52 C ATOM 828 O SER A 58 -2.694 15.774 1.154 1.00 60.24 O ATOM 829 CB SER A 58 -3.179 17.358 3.844 1.00 41.32 C ATOM 830 OG SER A 58 -4.435 17.057 4.425 1.00 15.11 O ATOM 0 H SER A 58 -0.753 16.634 2.347 1.00 71.34 H new ATOM 0 HA SER A 58 -2.479 15.395 4.361 1.00 24.54 H new ATOM 0 HB2 SER A 58 -2.597 17.976 4.528 1.00 41.32 H new ATOM 0 HB3 SER A 58 -3.326 17.940 2.934 1.00 41.32 H new ATOM 0 HG SER A 58 -4.911 17.890 4.626 1.00 15.11 H new ATOM 836 N ILE A 59 -3.861 14.420 2.522 1.00 44.42 N ATOM 837 CA ILE A 59 -4.505 13.696 1.434 1.00 13.24 C ATOM 838 C ILE A 59 -6.018 13.652 1.622 1.00 42.32 C ATOM 839 O ILE A 59 -6.519 13.039 2.565 1.00 71.31 O ATOM 840 CB ILE A 59 -3.972 12.255 1.323 1.00 72.24 C ATOM 841 CG1 ILE A 59 -3.811 11.639 2.715 1.00 62.10 C ATOM 842 CG2 ILE A 59 -2.648 12.236 0.574 1.00 50.14 C ATOM 843 CD1 ILE A 59 -3.506 10.158 2.687 1.00 1.44 C ATOM 0 H ILE A 59 -4.126 14.104 3.455 1.00 44.42 H new ATOM 0 HA ILE A 59 -4.270 14.234 0.516 1.00 13.24 H new ATOM 0 HB ILE A 59 -4.693 11.659 0.763 1.00 72.24 H new ATOM 0 HG12 ILE A 59 -3.010 12.157 3.243 1.00 62.10 H new ATOM 0 HG13 ILE A 59 -4.726 11.803 3.284 1.00 62.10 H new ATOM 0 HG21 ILE A 59 -2.284 11.211 0.504 1.00 50.14 H new ATOM 0 HG22 ILE A 59 -2.791 12.640 -0.428 1.00 50.14 H new ATOM 0 HG23 ILE A 59 -1.918 12.844 1.109 1.00 50.14 H new ATOM 0 HD11 ILE A 59 -3.405 9.788 3.707 1.00 1.44 H new ATOM 0 HD12 ILE A 59 -4.318 9.629 2.188 1.00 1.44 H new ATOM 0 HD13 ILE A 59 -2.575 9.988 2.146 1.00 1.44 H new ATOM 855 N ARG A 60 -6.740 14.306 0.719 1.00 42.12 N ATOM 856 CA ARG A 60 -8.197 14.343 0.785 1.00 3.01 C ATOM 857 C ARG A 60 -8.791 12.991 0.401 1.00 31.31 C ATOM 858 O ARG A 60 -8.490 12.448 -0.662 1.00 63.24 O ATOM 859 CB ARG A 60 -8.743 15.432 -0.139 1.00 42.23 C ATOM 860 CG ARG A 60 -8.438 15.196 -1.609 1.00 1.02 C ATOM 861 CD ARG A 60 -7.819 16.426 -2.254 1.00 13.23 C ATOM 862 NE ARG A 60 -8.570 17.640 -1.952 1.00 74.14 N ATOM 863 CZ ARG A 60 -9.738 17.939 -2.510 1.00 52.34 C ATOM 864 NH1 ARG A 60 -10.284 17.117 -3.395 1.00 12.21 N ATOM 865 NH2 ARG A 60 -10.363 19.065 -2.184 1.00 3.12 N ATOM 0 H ARG A 60 -6.341 14.818 -0.068 1.00 42.12 H new ATOM 0 HA ARG A 60 -8.484 14.570 1.812 1.00 3.01 H new ATOM 0 HB2 ARG A 60 -9.823 15.500 -0.008 1.00 42.23 H new ATOM 0 HB3 ARG A 60 -8.325 16.393 0.160 1.00 42.23 H new ATOM 0 HG2 ARG A 60 -7.758 14.350 -1.709 1.00 1.02 H new ATOM 0 HG3 ARG A 60 -9.356 14.931 -2.134 1.00 1.02 H new ATOM 0 HD2 ARG A 60 -6.792 16.539 -1.906 1.00 13.23 H new ATOM 0 HD3 ARG A 60 -7.776 16.286 -3.334 1.00 13.23 H new ATOM 0 HE ARG A 60 -8.177 18.295 -1.276 1.00 74.14 H new ATOM 0 HH11 ARG A 60 -9.807 16.252 -3.649 1.00 12.21 H new ATOM 0 HH12 ARG A 60 -11.181 17.350 -3.822 1.00 12.21 H new ATOM 0 HH21 ARG A 60 -9.946 19.701 -1.504 1.00 3.12 H new ATOM 0 HH22 ARG A 60 -11.260 19.293 -2.613 1.00 3.12 H new ATOM 879 N ILE A 61 -9.637 12.453 1.273 1.00 14.23 N ATOM 880 CA ILE A 61 -10.275 11.167 1.025 1.00 31.33 C ATOM 881 C ILE A 61 -11.716 11.162 1.523 1.00 75.02 C ATOM 882 O ILE A 61 -12.087 10.356 2.376 1.00 52.21 O ATOM 883 CB ILE A 61 -9.506 10.017 1.702 1.00 41.10 C ATOM 884 CG1 ILE A 61 -9.318 10.311 3.193 1.00 64.42 C ATOM 885 CG2 ILE A 61 -8.160 9.808 1.024 1.00 53.50 C ATOM 886 CD1 ILE A 61 -9.250 9.065 4.049 1.00 74.02 C ATOM 0 H ILE A 61 -9.896 12.889 2.158 1.00 14.23 H new ATOM 0 HA ILE A 61 -10.266 11.014 -0.054 1.00 31.33 H new ATOM 0 HB ILE A 61 -10.087 9.100 1.601 1.00 41.10 H new ATOM 0 HG12 ILE A 61 -8.402 10.886 3.329 1.00 64.42 H new ATOM 0 HG13 ILE A 61 -10.142 10.936 3.539 1.00 64.42 H new ATOM 0 HG21 ILE A 61 -7.629 8.992 1.514 1.00 53.50 H new ATOM 0 HG22 ILE A 61 -8.316 9.561 -0.026 1.00 53.50 H new ATOM 0 HG23 ILE A 61 -7.570 10.721 1.098 1.00 53.50 H new ATOM 0 HD11 ILE A 61 -9.116 9.348 5.093 1.00 74.02 H new ATOM 0 HD12 ILE A 61 -10.175 8.499 3.942 1.00 74.02 H new ATOM 0 HD13 ILE A 61 -8.409 8.449 3.729 1.00 74.02 H new ATOM 898 N GLY A 62 -12.528 12.067 0.983 1.00 3.41 N ATOM 899 CA GLY A 62 -13.920 12.150 1.383 1.00 24.34 C ATOM 900 C GLY A 62 -14.738 10.977 0.879 1.00 65.12 C ATOM 901 O GLY A 62 -15.860 10.755 1.331 1.00 61.01 O ATOM 0 H GLY A 62 -12.245 12.745 0.275 1.00 3.41 H new ATOM 0 HA2 GLY A 62 -13.981 12.191 2.471 1.00 24.34 H new ATOM 0 HA3 GLY A 62 -14.349 13.078 1.005 1.00 24.34 H new ATOM 905 N ASN A 63 -14.175 10.227 -0.062 1.00 32.10 N ATOM 906 CA ASN A 63 -14.862 9.072 -0.629 1.00 61.33 C ATOM 907 C ASN A 63 -15.360 8.140 0.470 1.00 2.12 C ATOM 908 O ASN A 63 -14.570 7.565 1.220 1.00 42.11 O ATOM 909 CB ASN A 63 -13.928 8.310 -1.575 1.00 52.24 C ATOM 910 CG ASN A 63 -12.628 7.911 -0.904 1.00 70.34 C ATOM 911 OD1 ASN A 63 -12.535 6.846 -0.292 1.00 34.00 O ATOM 912 ND2 ASN A 63 -11.617 8.763 -1.018 1.00 31.10 N ATOM 0 H ASN A 63 -13.246 10.398 -0.448 1.00 32.10 H new ATOM 0 HA ASN A 63 -15.723 9.434 -1.191 1.00 61.33 H new ATOM 0 HB2 ASN A 63 -14.435 7.417 -1.940 1.00 52.24 H new ATOM 0 HB3 ASN A 63 -13.710 8.931 -2.444 1.00 52.24 H new ATOM 0 HD21 ASN A 63 -10.717 8.547 -0.589 1.00 31.10 H new ATOM 0 HD22 ASN A 63 -11.740 9.634 -1.535 1.00 31.10 H new ATOM 919 N THR A 64 -16.679 7.993 0.561 1.00 32.01 N ATOM 920 CA THR A 64 -17.284 7.132 1.570 1.00 25.33 C ATOM 921 C THR A 64 -16.814 5.689 1.414 1.00 13.31 C ATOM 922 O THR A 64 -16.911 4.892 2.346 1.00 64.41 O ATOM 923 CB THR A 64 -18.821 7.169 1.492 1.00 63.42 C ATOM 924 OG1 THR A 64 -19.244 8.260 0.665 1.00 11.33 O ATOM 925 CG2 THR A 64 -19.430 7.309 2.877 1.00 54.10 C ATOM 0 H THR A 64 -17.348 8.459 -0.052 1.00 32.01 H new ATOM 0 HA THR A 64 -16.968 7.513 2.541 1.00 25.33 H new ATOM 0 HB THR A 64 -19.163 6.230 1.056 1.00 63.42 H new ATOM 0 HG1 THR A 64 -20.223 8.275 0.619 1.00 11.33 H new ATOM 0 HG21 THR A 64 -20.517 7.333 2.796 1.00 54.10 H new ATOM 0 HG22 THR A 64 -19.131 6.461 3.493 1.00 54.10 H new ATOM 0 HG23 THR A 64 -19.080 8.233 3.337 1.00 54.10 H new ATOM 933 N ALA A 65 -16.303 5.363 0.232 1.00 2.44 N ATOM 934 CA ALA A 65 -15.814 4.017 -0.043 1.00 64.33 C ATOM 935 C ALA A 65 -14.693 3.632 0.915 1.00 34.05 C ATOM 936 O ALA A 65 -14.544 2.465 1.276 1.00 64.23 O ATOM 937 CB ALA A 65 -15.338 3.913 -1.485 1.00 43.33 C ATOM 0 H ALA A 65 -16.217 6.012 -0.550 1.00 2.44 H new ATOM 0 HA ALA A 65 -16.639 3.320 0.108 1.00 64.33 H new ATOM 0 HB1 ALA A 65 -14.976 2.903 -1.677 1.00 43.33 H new ATOM 0 HB2 ALA A 65 -16.166 4.135 -2.158 1.00 43.33 H new ATOM 0 HB3 ALA A 65 -14.531 4.626 -1.654 1.00 43.33 H new ATOM 943 N PHE A 66 -13.906 4.622 1.324 1.00 3.23 N ATOM 944 CA PHE A 66 -12.795 4.387 2.240 1.00 32.33 C ATOM 945 C PHE A 66 -13.304 3.940 3.608 1.00 31.00 C ATOM 946 O PHE A 66 -12.784 2.994 4.197 1.00 20.33 O ATOM 947 CB PHE A 66 -11.949 5.653 2.386 1.00 35.10 C ATOM 948 CG PHE A 66 -10.964 5.589 3.518 1.00 45.20 C ATOM 949 CD1 PHE A 66 -11.346 5.915 4.808 1.00 34.40 C ATOM 950 CD2 PHE A 66 -9.653 5.201 3.289 1.00 61.00 C ATOM 951 CE1 PHE A 66 -10.442 5.856 5.851 1.00 23.25 C ATOM 952 CE2 PHE A 66 -8.742 5.139 4.328 1.00 72.53 C ATOM 953 CZ PHE A 66 -9.137 5.468 5.610 1.00 31.41 C ATOM 0 H PHE A 66 -14.017 5.594 1.036 1.00 3.23 H new ATOM 0 HA PHE A 66 -12.176 3.592 1.824 1.00 32.33 H new ATOM 0 HB2 PHE A 66 -11.410 5.829 1.455 1.00 35.10 H new ATOM 0 HB3 PHE A 66 -12.610 6.506 2.538 1.00 35.10 H new ATOM 0 HD1 PHE A 66 -12.364 6.219 5.002 1.00 34.40 H new ATOM 0 HD2 PHE A 66 -9.339 4.944 2.288 1.00 61.00 H new ATOM 0 HE1 PHE A 66 -10.754 6.112 6.853 1.00 23.25 H new ATOM 0 HE2 PHE A 66 -7.724 4.834 4.137 1.00 72.53 H new ATOM 0 HZ PHE A 66 -8.428 5.422 6.423 1.00 31.41 H new ATOM 963 N SER A 67 -14.325 4.631 4.106 1.00 21.11 N ATOM 964 CA SER A 67 -14.903 4.309 5.407 1.00 54.54 C ATOM 965 C SER A 67 -15.699 3.010 5.342 1.00 70.24 C ATOM 966 O SER A 67 -15.939 2.362 6.361 1.00 0.34 O ATOM 967 CB SER A 67 -15.803 5.450 5.884 1.00 73.03 C ATOM 968 OG SER A 67 -16.474 5.103 7.083 1.00 1.54 O ATOM 0 H SER A 67 -14.769 5.416 3.630 1.00 21.11 H new ATOM 0 HA SER A 67 -14.087 4.178 6.118 1.00 54.54 H new ATOM 0 HB2 SER A 67 -15.204 6.347 6.045 1.00 73.03 H new ATOM 0 HB3 SER A 67 -16.533 5.689 5.111 1.00 73.03 H new ATOM 0 HG SER A 67 -17.042 5.849 7.368 1.00 1.54 H new ATOM 974 N THR A 68 -16.108 2.634 4.133 1.00 65.21 N ATOM 975 CA THR A 68 -16.879 1.414 3.933 1.00 61.41 C ATOM 976 C THR A 68 -15.964 0.203 3.787 1.00 32.33 C ATOM 977 O THR A 68 -16.322 -0.908 4.175 1.00 15.40 O ATOM 978 CB THR A 68 -17.780 1.516 2.687 1.00 1.13 C ATOM 979 OG1 THR A 68 -16.974 1.624 1.509 1.00 64.51 O ATOM 980 CG2 THR A 68 -18.705 2.718 2.787 1.00 71.34 C ATOM 0 H THR A 68 -15.918 3.158 3.279 1.00 65.21 H new ATOM 0 HA THR A 68 -17.506 1.288 4.816 1.00 61.41 H new ATOM 0 HB THR A 68 -18.388 0.613 2.629 1.00 1.13 H new ATOM 0 HG1 THR A 68 -16.060 1.873 1.760 1.00 64.51 H new ATOM 0 HG21 THR A 68 -19.332 2.770 1.897 1.00 71.34 H new ATOM 0 HG22 THR A 68 -19.337 2.619 3.670 1.00 71.34 H new ATOM 0 HG23 THR A 68 -18.111 3.629 2.866 1.00 71.34 H new ATOM 988 N ARG A 69 -14.780 0.427 3.224 1.00 52.03 N ATOM 989 CA ARG A 69 -13.813 -0.647 3.026 1.00 73.13 C ATOM 990 C ARG A 69 -12.392 -0.094 2.972 1.00 53.00 C ATOM 991 O ARG A 69 -11.830 0.098 1.894 1.00 41.03 O ATOM 992 CB ARG A 69 -14.124 -1.411 1.738 1.00 54.43 C ATOM 993 CG ARG A 69 -13.784 -2.890 1.811 1.00 2.12 C ATOM 994 CD ARG A 69 -12.375 -3.113 2.339 1.00 12.43 C ATOM 995 NE ARG A 69 -12.348 -3.225 3.795 1.00 11.04 N ATOM 996 CZ ARG A 69 -12.634 -4.343 4.453 1.00 60.35 C ATOM 997 NH1 ARG A 69 -12.967 -5.440 3.786 1.00 41.32 N ATOM 998 NH2 ARG A 69 -12.587 -4.366 5.778 1.00 32.23 N ATOM 0 H ARG A 69 -14.468 1.341 2.897 1.00 52.03 H new ATOM 0 HA ARG A 69 -13.887 -1.330 3.872 1.00 73.13 H new ATOM 0 HB2 ARG A 69 -15.184 -1.301 1.507 1.00 54.43 H new ATOM 0 HB3 ARG A 69 -13.570 -0.960 0.915 1.00 54.43 H new ATOM 0 HG2 ARG A 69 -14.500 -3.398 2.457 1.00 2.12 H new ATOM 0 HG3 ARG A 69 -13.877 -3.335 0.820 1.00 2.12 H new ATOM 0 HD2 ARG A 69 -11.962 -4.020 1.898 1.00 12.43 H new ATOM 0 HD3 ARG A 69 -11.736 -2.287 2.027 1.00 12.43 H new ATOM 0 HE ARG A 69 -12.095 -2.399 4.337 1.00 11.04 H new ATOM 0 HH11 ARG A 69 -13.004 -5.426 2.767 1.00 41.32 H new ATOM 0 HH12 ARG A 69 -13.186 -6.298 4.292 1.00 41.32 H new ATOM 0 HH21 ARG A 69 -12.331 -3.524 6.294 1.00 32.23 H new ATOM 0 HH22 ARG A 69 -12.807 -5.225 6.281 1.00 32.23 H new ATOM 1012 N LEU A 70 -11.816 0.158 4.143 1.00 72.02 N ATOM 1013 CA LEU A 70 -10.460 0.689 4.229 1.00 63.03 C ATOM 1014 C LEU A 70 -10.103 1.038 5.670 1.00 72.45 C ATOM 1015 O LEU A 70 -8.946 0.930 6.078 1.00 15.20 O ATOM 1016 CB LEU A 70 -10.318 1.925 3.342 1.00 43.15 C ATOM 1017 CG LEU A 70 -9.198 1.880 2.300 1.00 72.31 C ATOM 1018 CD1 LEU A 70 -9.589 2.672 1.062 1.00 22.11 C ATOM 1019 CD2 LEU A 70 -7.900 2.413 2.889 1.00 65.24 C ATOM 0 H LEU A 70 -12.267 0.003 5.045 1.00 72.02 H new ATOM 0 HA LEU A 70 -9.772 -0.081 3.880 1.00 63.03 H new ATOM 0 HB2 LEU A 70 -11.263 2.086 2.823 1.00 43.15 H new ATOM 0 HB3 LEU A 70 -10.155 2.791 3.984 1.00 43.15 H new ATOM 0 HG LEU A 70 -9.041 0.842 2.007 1.00 72.31 H new ATOM 0 HD11 LEU A 70 -8.781 2.629 0.332 1.00 22.11 H new ATOM 0 HD12 LEU A 70 -10.493 2.245 0.628 1.00 22.11 H new ATOM 0 HD13 LEU A 70 -9.774 3.710 1.338 1.00 22.11 H new ATOM 0 HD21 LEU A 70 -7.115 2.374 2.134 1.00 65.24 H new ATOM 0 HD22 LEU A 70 -8.043 3.445 3.210 1.00 65.24 H new ATOM 0 HD23 LEU A 70 -7.611 1.803 3.745 1.00 65.24 H new ATOM 1031 N LEU A 71 -11.103 1.457 6.437 1.00 13.43 N ATOM 1032 CA LEU A 71 -10.897 1.821 7.835 1.00 65.44 C ATOM 1033 C LEU A 71 -10.947 0.589 8.731 1.00 4.31 C ATOM 1034 O LEU A 71 -9.978 0.243 9.407 1.00 13.22 O ATOM 1035 CB LEU A 71 -11.952 2.834 8.280 1.00 75.22 C ATOM 1036 CG LEU A 71 -11.430 4.210 8.698 1.00 34.43 C ATOM 1037 CD1 LEU A 71 -12.520 5.260 8.553 1.00 42.52 C ATOM 1038 CD2 LEU A 71 -10.911 4.170 10.129 1.00 31.55 C ATOM 0 H LEU A 71 -12.066 1.553 6.114 1.00 13.43 H new ATOM 0 HA LEU A 71 -9.909 2.273 7.925 1.00 65.44 H new ATOM 0 HB2 LEU A 71 -12.663 2.970 7.465 1.00 75.22 H new ATOM 0 HB3 LEU A 71 -12.505 2.408 9.117 1.00 75.22 H new ATOM 0 HG LEU A 71 -10.604 4.481 8.040 1.00 34.43 H new ATOM 0 HD11 LEU A 71 -12.131 6.232 8.855 1.00 42.52 H new ATOM 0 HD12 LEU A 71 -12.845 5.306 7.514 1.00 42.52 H new ATOM 0 HD13 LEU A 71 -13.367 4.996 9.187 1.00 42.52 H new ATOM 0 HD21 LEU A 71 -10.543 5.157 10.410 1.00 31.55 H new ATOM 0 HD22 LEU A 71 -11.718 3.878 10.801 1.00 31.55 H new ATOM 0 HD23 LEU A 71 -10.099 3.446 10.202 1.00 31.55 H new ATOM 1050 N PRO A 72 -12.101 -0.093 8.737 1.00 72.35 N ATOM 1051 CA PRO A 72 -12.305 -1.300 9.544 1.00 71.14 C ATOM 1052 C PRO A 72 -11.495 -2.485 9.029 1.00 14.52 C ATOM 1053 O PRO A 72 -11.479 -3.551 9.644 1.00 24.04 O ATOM 1054 CB PRO A 72 -13.804 -1.574 9.400 1.00 14.03 C ATOM 1055 CG PRO A 72 -14.182 -0.946 8.103 1.00 2.41 C ATOM 1056 CD PRO A 72 -13.298 0.262 7.955 1.00 11.44 C ATOM 0 HA PRO A 72 -11.981 -1.161 10.575 1.00 71.14 H new ATOM 0 HB2 PRO A 72 -14.012 -2.644 9.397 1.00 14.03 H new ATOM 0 HB3 PRO A 72 -14.367 -1.142 10.228 1.00 14.03 H new ATOM 0 HG2 PRO A 72 -14.036 -1.640 7.276 1.00 2.41 H new ATOM 0 HG3 PRO A 72 -15.234 -0.662 8.099 1.00 2.41 H new ATOM 0 HD2 PRO A 72 -13.053 0.455 6.911 1.00 11.44 H new ATOM 0 HD3 PRO A 72 -13.778 1.161 8.341 1.00 11.44 H new ATOM 1064 N VAL A 73 -10.824 -2.290 7.898 1.00 33.20 N ATOM 1065 CA VAL A 73 -10.011 -3.344 7.302 1.00 44.23 C ATOM 1066 C VAL A 73 -8.751 -3.596 8.122 1.00 71.12 C ATOM 1067 O VAL A 73 -8.066 -2.658 8.532 1.00 65.02 O ATOM 1068 CB VAL A 73 -9.607 -2.991 5.858 1.00 73.34 C ATOM 1069 CG1 VAL A 73 -8.557 -1.889 5.850 1.00 71.50 C ATOM 1070 CG2 VAL A 73 -9.101 -4.226 5.129 1.00 31.11 C ATOM 0 H VAL A 73 -10.827 -1.413 7.377 1.00 33.20 H new ATOM 0 HA VAL A 73 -10.621 -4.247 7.291 1.00 44.23 H new ATOM 0 HB VAL A 73 -10.489 -2.623 5.333 1.00 73.34 H new ATOM 0 HG11 VAL A 73 -8.284 -1.654 4.821 1.00 71.50 H new ATOM 0 HG12 VAL A 73 -8.961 -0.998 6.331 1.00 71.50 H new ATOM 0 HG13 VAL A 73 -7.673 -2.225 6.392 1.00 71.50 H new ATOM 0 HG21 VAL A 73 -8.820 -3.958 4.111 1.00 31.11 H new ATOM 0 HG22 VAL A 73 -8.232 -4.626 5.651 1.00 31.11 H new ATOM 0 HG23 VAL A 73 -9.887 -4.980 5.102 1.00 31.11 H new ATOM 1080 N ARG A 74 -8.451 -4.869 8.359 1.00 74.45 N ATOM 1081 CA ARG A 74 -7.275 -5.245 9.132 1.00 4.24 C ATOM 1082 C ARG A 74 -6.047 -5.364 8.232 1.00 71.51 C ATOM 1083 O ARG A 74 -5.939 -6.291 7.432 1.00 2.04 O ATOM 1084 CB ARG A 74 -7.516 -6.570 9.857 1.00 53.40 C ATOM 1085 CG ARG A 74 -7.252 -6.503 11.354 1.00 22.04 C ATOM 1086 CD ARG A 74 -5.785 -6.749 11.671 1.00 44.21 C ATOM 1087 NE ARG A 74 -5.511 -6.655 13.101 1.00 12.22 N ATOM 1088 CZ ARG A 74 -5.851 -7.593 13.978 1.00 21.25 C ATOM 1089 NH1 ARG A 74 -6.475 -8.691 13.572 1.00 51.11 N ATOM 1090 NH2 ARG A 74 -5.568 -7.434 15.265 1.00 25.10 N ATOM 0 H ARG A 74 -9.007 -5.657 8.026 1.00 74.45 H new ATOM 0 HA ARG A 74 -7.092 -4.463 9.869 1.00 4.24 H new ATOM 0 HB2 ARG A 74 -8.547 -6.882 9.692 1.00 53.40 H new ATOM 0 HB3 ARG A 74 -6.877 -7.336 9.418 1.00 53.40 H new ATOM 0 HG2 ARG A 74 -7.549 -5.525 11.734 1.00 22.04 H new ATOM 0 HG3 ARG A 74 -7.866 -7.244 11.867 1.00 22.04 H new ATOM 0 HD2 ARG A 74 -5.497 -7.737 11.311 1.00 44.21 H new ATOM 0 HD3 ARG A 74 -5.172 -6.024 11.136 1.00 44.21 H new ATOM 0 HE ARG A 74 -5.032 -5.823 13.446 1.00 12.22 H new ATOM 0 HH11 ARG A 74 -6.695 -8.817 12.584 1.00 51.11 H new ATOM 0 HH12 ARG A 74 -6.735 -9.409 14.248 1.00 51.11 H new ATOM 0 HH21 ARG A 74 -5.089 -6.591 15.581 1.00 25.10 H new ATOM 0 HH22 ARG A 74 -5.830 -8.155 15.938 1.00 25.10 H new ATOM 1104 N GLY A 75 -5.125 -4.416 8.369 1.00 70.32 N ATOM 1105 CA GLY A 75 -3.920 -4.431 7.562 1.00 51.10 C ATOM 1106 C GLY A 75 -3.612 -3.076 6.953 1.00 12.34 C ATOM 1107 O GLY A 75 -2.463 -2.636 6.953 1.00 54.14 O ATOM 0 H GLY A 75 -5.192 -3.638 9.025 1.00 70.32 H new ATOM 0 HA2 GLY A 75 -3.078 -4.749 8.177 1.00 51.10 H new ATOM 0 HA3 GLY A 75 -4.029 -5.167 6.766 1.00 51.10 H new ATOM 1111 N ALA A 76 -4.641 -2.416 6.435 1.00 73.24 N ATOM 1112 CA ALA A 76 -4.475 -1.104 5.820 1.00 3.41 C ATOM 1113 C ALA A 76 -4.142 -0.045 6.867 1.00 32.34 C ATOM 1114 O ALA A 76 -3.178 0.706 6.720 1.00 32.13 O ATOM 1115 CB ALA A 76 -5.732 -0.716 5.056 1.00 1.53 C ATOM 0 H ALA A 76 -5.599 -2.767 6.428 1.00 73.24 H new ATOM 0 HA ALA A 76 -3.641 -1.161 5.120 1.00 3.41 H new ATOM 0 HB1 ALA A 76 -5.594 0.265 4.602 1.00 1.53 H new ATOM 0 HB2 ALA A 76 -5.926 -1.452 4.276 1.00 1.53 H new ATOM 0 HB3 ALA A 76 -6.579 -0.683 5.742 1.00 1.53 H new ATOM 1121 N VAL A 77 -4.946 0.007 7.924 1.00 44.01 N ATOM 1122 CA VAL A 77 -4.736 0.973 8.997 1.00 64.21 C ATOM 1123 C VAL A 77 -3.355 0.810 9.622 1.00 71.41 C ATOM 1124 O VAL A 77 -2.641 1.787 9.838 1.00 12.22 O ATOM 1125 CB VAL A 77 -5.805 0.832 10.096 1.00 14.04 C ATOM 1126 CG1 VAL A 77 -5.543 1.817 11.226 1.00 22.14 C ATOM 1127 CG2 VAL A 77 -7.196 1.033 9.514 1.00 14.35 C ATOM 0 H VAL A 77 -5.748 -0.608 8.061 1.00 44.01 H new ATOM 0 HA VAL A 77 -4.814 1.964 8.550 1.00 64.21 H new ATOM 0 HB VAL A 77 -5.750 -0.177 10.506 1.00 14.04 H new ATOM 0 HG11 VAL A 77 -6.309 1.703 11.993 1.00 22.14 H new ATOM 0 HG12 VAL A 77 -4.562 1.621 11.660 1.00 22.14 H new ATOM 0 HG13 VAL A 77 -5.570 2.834 10.835 1.00 22.14 H new ATOM 0 HG21 VAL A 77 -7.939 0.930 10.304 1.00 14.35 H new ATOM 0 HG22 VAL A 77 -7.267 2.029 9.077 1.00 14.35 H new ATOM 0 HG23 VAL A 77 -7.380 0.284 8.743 1.00 14.35 H new ATOM 1137 N GLU A 78 -2.985 -0.436 9.908 1.00 10.45 N ATOM 1138 CA GLU A 78 -1.689 -0.727 10.509 1.00 54.31 C ATOM 1139 C GLU A 78 -0.556 -0.423 9.534 1.00 22.42 C ATOM 1140 O GLU A 78 0.548 -0.061 9.941 1.00 32.44 O ATOM 1141 CB GLU A 78 -1.623 -2.193 10.946 1.00 64.32 C ATOM 1142 CG GLU A 78 -0.751 -2.425 12.168 1.00 2.01 C ATOM 1143 CD GLU A 78 -1.135 -3.679 12.929 1.00 74.45 C ATOM 1144 OE1 GLU A 78 -2.337 -3.845 13.227 1.00 54.21 O ATOM 1145 OE2 GLU A 78 -0.237 -4.493 13.227 1.00 52.32 O ATOM 0 H GLU A 78 -3.564 -1.258 9.733 1.00 10.45 H new ATOM 0 HA GLU A 78 -1.571 -0.089 11.385 1.00 54.31 H new ATOM 0 HB2 GLU A 78 -2.632 -2.546 11.158 1.00 64.32 H new ATOM 0 HB3 GLU A 78 -1.243 -2.793 10.119 1.00 64.32 H new ATOM 0 HG2 GLU A 78 0.291 -2.498 11.857 1.00 2.01 H new ATOM 0 HG3 GLU A 78 -0.826 -1.564 12.832 1.00 2.01 H new ATOM 1152 N CYS A 79 -0.839 -0.572 8.244 1.00 0.34 N ATOM 1153 CA CYS A 79 0.156 -0.315 7.209 1.00 62.32 C ATOM 1154 C CYS A 79 0.490 1.171 7.133 1.00 44.34 C ATOM 1155 O CYS A 79 1.655 1.550 6.997 1.00 14.30 O ATOM 1156 CB CYS A 79 -0.350 -0.808 5.852 1.00 53.23 C ATOM 1157 SG CYS A 79 0.820 -0.565 4.496 1.00 25.10 S ATOM 0 H CYS A 79 -1.748 -0.869 7.891 1.00 0.34 H new ATOM 0 HA CYS A 79 1.064 -0.859 7.469 1.00 62.32 H new ATOM 0 HB2 CYS A 79 -0.586 -1.869 5.928 1.00 53.23 H new ATOM 0 HB3 CYS A 79 -1.279 -0.291 5.613 1.00 53.23 H new ATOM 0 HG CYS A 79 0.400 -1.198 3.441 1.00 25.10 H new ATOM 1163 N LEU A 80 -0.537 2.008 7.219 1.00 15.01 N ATOM 1164 CA LEU A 80 -0.354 3.454 7.159 1.00 45.00 C ATOM 1165 C LEU A 80 0.245 3.981 8.459 1.00 71.25 C ATOM 1166 O LEU A 80 1.108 4.860 8.445 1.00 24.33 O ATOM 1167 CB LEU A 80 -1.690 4.146 6.881 1.00 64.34 C ATOM 1168 CG LEU A 80 -2.540 3.541 5.764 1.00 0.01 C ATOM 1169 CD1 LEU A 80 -3.983 3.385 6.217 1.00 71.53 C ATOM 1170 CD2 LEU A 80 -2.462 4.398 4.510 1.00 42.13 C ATOM 0 H LEU A 80 -1.506 1.710 7.331 1.00 15.01 H new ATOM 0 HA LEU A 80 0.338 3.675 6.346 1.00 45.00 H new ATOM 0 HB2 LEU A 80 -2.277 4.141 7.800 1.00 64.34 H new ATOM 0 HB3 LEU A 80 -1.492 5.189 6.635 1.00 64.34 H new ATOM 0 HG LEU A 80 -2.146 2.552 5.528 1.00 0.01 H new ATOM 0 HD11 LEU A 80 -4.573 2.953 5.409 1.00 71.53 H new ATOM 0 HD12 LEU A 80 -4.023 2.729 7.086 1.00 71.53 H new ATOM 0 HD13 LEU A 80 -4.389 4.361 6.481 1.00 71.53 H new ATOM 0 HD21 LEU A 80 -3.073 3.952 3.726 1.00 42.13 H new ATOM 0 HD22 LEU A 80 -2.830 5.400 4.731 1.00 42.13 H new ATOM 0 HD23 LEU A 80 -1.427 4.457 4.174 1.00 42.13 H new ATOM 1182 N PHE A 81 -0.217 3.439 9.580 1.00 42.24 N ATOM 1183 CA PHE A 81 0.274 3.854 10.889 1.00 73.15 C ATOM 1184 C PHE A 81 1.722 3.419 11.090 1.00 11.31 C ATOM 1185 O PHE A 81 2.548 4.185 11.583 1.00 53.10 O ATOM 1186 CB PHE A 81 -0.605 3.269 11.996 1.00 63.22 C ATOM 1187 CG PHE A 81 -1.672 4.212 12.477 1.00 45.31 C ATOM 1188 CD1 PHE A 81 -2.731 4.556 11.656 1.00 74.04 C ATOM 1189 CD2 PHE A 81 -1.610 4.755 13.751 1.00 34.31 C ATOM 1190 CE1 PHE A 81 -3.714 5.425 12.097 1.00 3.13 C ATOM 1191 CE2 PHE A 81 -2.589 5.623 14.197 1.00 74.41 C ATOM 1192 CZ PHE A 81 -3.643 5.959 13.368 1.00 5.14 C ATOM 0 H PHE A 81 -0.931 2.711 9.609 1.00 42.24 H new ATOM 0 HA PHE A 81 0.230 4.942 10.937 1.00 73.15 H new ATOM 0 HB2 PHE A 81 -1.076 2.356 11.631 1.00 63.22 H new ATOM 0 HB3 PHE A 81 0.026 2.987 12.839 1.00 63.22 H new ATOM 0 HD1 PHE A 81 -2.791 4.142 10.660 1.00 74.04 H new ATOM 0 HD2 PHE A 81 -0.788 4.497 14.402 1.00 34.31 H new ATOM 0 HE1 PHE A 81 -4.536 5.685 11.447 1.00 3.13 H new ATOM 0 HE2 PHE A 81 -2.531 6.038 15.192 1.00 74.41 H new ATOM 0 HZ PHE A 81 -4.409 6.637 13.714 1.00 5.14 H new ATOM 1202 N GLU A 82 2.020 2.182 10.704 1.00 24.02 N ATOM 1203 CA GLU A 82 3.368 1.644 10.844 1.00 13.25 C ATOM 1204 C GLU A 82 4.324 2.308 9.857 1.00 4.31 C ATOM 1205 O GLU A 82 5.496 2.525 10.164 1.00 62.44 O ATOM 1206 CB GLU A 82 3.362 0.129 10.623 1.00 13.40 C ATOM 1207 CG GLU A 82 3.312 -0.272 9.159 1.00 52.03 C ATOM 1208 CD GLU A 82 4.688 -0.343 8.525 1.00 74.01 C ATOM 1209 OE1 GLU A 82 5.682 -0.085 9.236 1.00 14.53 O ATOM 1210 OE2 GLU A 82 4.771 -0.656 7.319 1.00 65.24 O ATOM 0 H GLU A 82 1.347 1.535 10.293 1.00 24.02 H new ATOM 0 HA GLU A 82 3.713 1.856 11.856 1.00 13.25 H new ATOM 0 HB2 GLU A 82 4.255 -0.300 11.078 1.00 13.40 H new ATOM 0 HB3 GLU A 82 2.503 -0.302 11.138 1.00 13.40 H new ATOM 0 HG2 GLU A 82 2.824 -1.243 9.069 1.00 52.03 H new ATOM 0 HG3 GLU A 82 2.700 0.444 8.611 1.00 52.03 H new ATOM 1217 N MET A 83 3.814 2.629 8.672 1.00 13.35 N ATOM 1218 CA MET A 83 4.622 3.270 7.641 1.00 21.20 C ATOM 1219 C MET A 83 4.847 4.743 7.964 1.00 40.52 C ATOM 1220 O MET A 83 5.969 5.242 7.887 1.00 50.00 O ATOM 1221 CB MET A 83 3.947 3.131 6.276 1.00 44.34 C ATOM 1222 CG MET A 83 4.817 3.595 5.119 1.00 73.42 C ATOM 1223 SD MET A 83 4.675 2.528 3.671 1.00 74.34 S ATOM 1224 CE MET A 83 2.901 2.531 3.422 1.00 42.34 C ATOM 0 H MET A 83 2.846 2.456 8.402 1.00 13.35 H new ATOM 0 HA MET A 83 5.591 2.772 7.611 1.00 21.20 H new ATOM 0 HB2 MET A 83 3.674 2.087 6.119 1.00 44.34 H new ATOM 0 HB3 MET A 83 3.021 3.706 6.277 1.00 44.34 H new ATOM 0 HG2 MET A 83 4.538 4.612 4.845 1.00 73.42 H new ATOM 0 HG3 MET A 83 5.858 3.626 5.442 1.00 73.42 H new ATOM 0 HE1 MET A 83 2.675 2.196 2.410 1.00 42.34 H new ATOM 0 HE2 MET A 83 2.432 1.858 4.140 1.00 42.34 H new ATOM 0 HE3 MET A 83 2.515 3.540 3.565 1.00 42.34 H new ATOM 1234 N GLY A 84 3.771 5.436 8.325 1.00 51.50 N ATOM 1235 CA GLY A 84 3.872 6.846 8.654 1.00 64.15 C ATOM 1236 C GLY A 84 2.721 7.656 8.092 1.00 43.25 C ATOM 1237 O GLY A 84 2.880 8.373 7.102 1.00 3.33 O ATOM 0 H GLY A 84 2.831 5.046 8.395 1.00 51.50 H new ATOM 0 HA2 GLY A 84 3.899 6.962 9.737 1.00 64.15 H new ATOM 0 HA3 GLY A 84 4.812 7.240 8.268 1.00 64.15 H new ATOM 1241 N PHE A 85 1.557 7.543 8.722 1.00 63.11 N ATOM 1242 CA PHE A 85 0.373 8.269 8.278 1.00 71.53 C ATOM 1243 C PHE A 85 -0.533 8.606 9.458 1.00 34.41 C ATOM 1244 O PHE A 85 -0.439 7.993 10.520 1.00 1.52 O ATOM 1245 CB PHE A 85 -0.399 7.444 7.245 1.00 55.52 C ATOM 1246 CG PHE A 85 -0.293 7.982 5.847 1.00 72.51 C ATOM 1247 CD1 PHE A 85 -0.778 9.243 5.536 1.00 62.22 C ATOM 1248 CD2 PHE A 85 0.292 7.227 4.844 1.00 70.11 C ATOM 1249 CE1 PHE A 85 -0.680 9.740 4.250 1.00 50.32 C ATOM 1250 CE2 PHE A 85 0.392 7.720 3.556 1.00 61.14 C ATOM 1251 CZ PHE A 85 -0.095 8.977 3.258 1.00 31.00 C ATOM 0 H PHE A 85 1.408 6.955 9.542 1.00 63.11 H new ATOM 0 HA PHE A 85 0.700 9.201 7.817 1.00 71.53 H new ATOM 0 HB2 PHE A 85 -0.028 6.419 7.260 1.00 55.52 H new ATOM 0 HB3 PHE A 85 -1.450 7.407 7.533 1.00 55.52 H new ATOM 0 HD1 PHE A 85 -1.237 9.844 6.307 1.00 62.22 H new ATOM 0 HD2 PHE A 85 0.674 6.243 5.070 1.00 70.11 H new ATOM 0 HE1 PHE A 85 -1.061 10.724 4.021 1.00 50.32 H new ATOM 0 HE2 PHE A 85 0.851 7.122 2.783 1.00 61.14 H new ATOM 0 HZ PHE A 85 -0.019 9.363 2.252 1.00 31.00 H new ATOM 1261 N GLU A 86 -1.411 9.585 9.262 1.00 51.35 N ATOM 1262 CA GLU A 86 -2.333 10.005 10.310 1.00 60.33 C ATOM 1263 C GLU A 86 -3.778 9.935 9.824 1.00 1.30 C ATOM 1264 O GLU A 86 -4.194 10.719 8.971 1.00 74.04 O ATOM 1265 CB GLU A 86 -2.007 11.428 10.770 1.00 2.12 C ATOM 1266 CG GLU A 86 -2.897 11.923 11.896 1.00 41.23 C ATOM 1267 CD GLU A 86 -2.190 12.906 12.809 1.00 41.44 C ATOM 1268 OE1 GLU A 86 -0.980 12.723 13.054 1.00 44.43 O ATOM 1269 OE2 GLU A 86 -2.847 13.859 13.278 1.00 10.13 O ATOM 0 H GLU A 86 -1.503 10.102 8.387 1.00 51.35 H new ATOM 0 HA GLU A 86 -2.217 9.324 11.153 1.00 60.33 H new ATOM 0 HB2 GLU A 86 -0.968 11.466 11.096 1.00 2.12 H new ATOM 0 HB3 GLU A 86 -2.099 12.105 9.921 1.00 2.12 H new ATOM 0 HG2 GLU A 86 -3.782 12.398 11.473 1.00 41.23 H new ATOM 0 HG3 GLU A 86 -3.242 11.072 12.483 1.00 41.23 H new ATOM 1276 N GLU A 87 -4.536 8.990 10.371 1.00 3.43 N ATOM 1277 CA GLU A 87 -5.933 8.818 9.993 1.00 35.53 C ATOM 1278 C GLU A 87 -6.791 9.955 10.541 1.00 4.14 C ATOM 1279 O GLU A 87 -6.905 10.132 11.754 1.00 50.51 O ATOM 1280 CB GLU A 87 -6.461 7.475 10.502 1.00 13.10 C ATOM 1281 CG GLU A 87 -7.952 7.282 10.279 1.00 1.41 C ATOM 1282 CD GLU A 87 -8.760 7.479 11.547 1.00 74.51 C ATOM 1283 OE1 GLU A 87 -8.482 6.776 12.542 1.00 10.21 O ATOM 1284 OE2 GLU A 87 -9.670 8.333 11.545 1.00 73.30 O ATOM 0 H GLU A 87 -4.206 8.332 11.077 1.00 3.43 H new ATOM 0 HA GLU A 87 -5.992 8.835 8.905 1.00 35.53 H new ATOM 0 HB2 GLU A 87 -5.921 6.670 10.004 1.00 13.10 H new ATOM 0 HB3 GLU A 87 -6.248 7.391 11.568 1.00 13.10 H new ATOM 0 HG2 GLU A 87 -8.296 7.984 9.520 1.00 1.41 H new ATOM 0 HG3 GLU A 87 -8.131 6.280 9.890 1.00 1.41 H new ATOM 1291 N GLY A 88 -7.392 10.725 9.639 1.00 31.42 N ATOM 1292 CA GLY A 88 -8.230 11.835 10.052 1.00 30.41 C ATOM 1293 C GLY A 88 -9.708 11.506 9.973 1.00 43.21 C ATOM 1294 O GLY A 88 -10.087 10.337 9.927 1.00 62.53 O ATOM 0 H GLY A 88 -7.313 10.600 8.630 1.00 31.42 H new ATOM 0 HA2 GLY A 88 -7.978 12.116 11.074 1.00 30.41 H new ATOM 0 HA3 GLY A 88 -8.019 12.699 9.422 1.00 30.41 H new ATOM 1298 N GLU A 89 -10.543 12.540 9.959 1.00 52.33 N ATOM 1299 CA GLU A 89 -11.988 12.354 9.889 1.00 10.44 C ATOM 1300 C GLU A 89 -12.462 12.327 8.439 1.00 73.14 C ATOM 1301 O GLU A 89 -13.252 11.467 8.048 1.00 1.14 O ATOM 1302 CB GLU A 89 -12.706 13.469 10.652 1.00 11.14 C ATOM 1303 CG GLU A 89 -13.414 12.989 11.908 1.00 51.32 C ATOM 1304 CD GLU A 89 -13.996 14.129 12.720 1.00 33.33 C ATOM 1305 OE1 GLU A 89 -13.336 15.184 12.819 1.00 10.23 O ATOM 1306 OE2 GLU A 89 -15.113 13.966 13.257 1.00 2.34 O ATOM 0 H GLU A 89 -10.244 13.515 9.995 1.00 52.33 H new ATOM 0 HA GLU A 89 -12.229 11.396 10.350 1.00 10.44 H new ATOM 0 HB2 GLU A 89 -11.981 14.236 10.924 1.00 11.14 H new ATOM 0 HB3 GLU A 89 -13.435 13.939 9.991 1.00 11.14 H new ATOM 0 HG2 GLU A 89 -14.212 12.301 11.630 1.00 51.32 H new ATOM 0 HG3 GLU A 89 -12.711 12.429 12.526 1.00 51.32 H new ATOM 1313 N THR A 90 -11.976 13.276 7.645 1.00 42.53 N ATOM 1314 CA THR A 90 -12.351 13.364 6.240 1.00 52.14 C ATOM 1315 C THR A 90 -11.139 13.181 5.334 1.00 12.43 C ATOM 1316 O THR A 90 -11.272 12.801 4.171 1.00 2.20 O ATOM 1317 CB THR A 90 -13.017 14.716 5.919 1.00 34.13 C ATOM 1318 OG1 THR A 90 -13.219 14.839 4.507 1.00 11.31 O ATOM 1319 CG2 THR A 90 -12.164 15.871 6.418 1.00 45.40 C ATOM 0 H THR A 90 -11.321 13.995 7.952 1.00 42.53 H new ATOM 0 HA THR A 90 -13.065 12.562 6.054 1.00 52.14 H new ATOM 0 HB THR A 90 -13.981 14.752 6.427 1.00 34.13 H new ATOM 0 HG1 THR A 90 -13.644 15.700 4.311 1.00 11.31 H new ATOM 0 HG21 THR A 90 -12.654 16.815 6.180 1.00 45.40 H new ATOM 0 HG22 THR A 90 -12.037 15.790 7.498 1.00 45.40 H new ATOM 0 HG23 THR A 90 -11.188 15.838 5.935 1.00 45.40 H new ATOM 1327 N HIS A 91 -9.956 13.453 5.877 1.00 5.41 N ATOM 1328 CA HIS A 91 -8.717 13.316 5.117 1.00 61.24 C ATOM 1329 C HIS A 91 -7.587 12.808 6.007 1.00 52.14 C ATOM 1330 O HIS A 91 -7.669 12.880 7.234 1.00 53.01 O ATOM 1331 CB HIS A 91 -8.327 14.657 4.493 1.00 50.01 C ATOM 1332 CG HIS A 91 -8.219 15.771 5.486 1.00 50.24 C ATOM 1333 ND1 HIS A 91 -8.264 15.572 6.851 1.00 23.42 N ATOM 1334 CD2 HIS A 91 -8.067 17.106 5.308 1.00 24.23 C ATOM 1335 CE1 HIS A 91 -8.145 16.734 7.468 1.00 20.14 C ATOM 1336 NE2 HIS A 91 -8.023 17.680 6.554 1.00 12.11 N ATOM 0 H HIS A 91 -9.829 13.769 6.838 1.00 5.41 H new ATOM 0 HA HIS A 91 -8.885 12.589 4.323 1.00 61.24 H new ATOM 0 HB2 HIS A 91 -7.372 14.545 3.980 1.00 50.01 H new ATOM 0 HB3 HIS A 91 -9.066 14.925 3.738 1.00 50.01 H new ATOM 0 HD1 HIS A 91 -8.372 14.668 7.312 1.00 23.42 H new ATOM 0 HD2 HIS A 91 -7.994 17.622 4.362 1.00 24.23 H new ATOM 0 HE1 HIS A 91 -8.147 16.885 8.537 1.00 20.14 H new ATOM 1344 N LEU A 92 -6.535 12.293 5.382 1.00 63.22 N ATOM 1345 CA LEU A 92 -5.388 11.772 6.116 1.00 1.41 C ATOM 1346 C LEU A 92 -4.235 12.772 6.108 1.00 33.13 C ATOM 1347 O LEU A 92 -4.011 13.467 5.117 1.00 62.52 O ATOM 1348 CB LEU A 92 -4.930 10.444 5.512 1.00 65.02 C ATOM 1349 CG LEU A 92 -5.317 9.184 6.288 1.00 4.45 C ATOM 1350 CD1 LEU A 92 -5.937 8.153 5.359 1.00 12.42 C ATOM 1351 CD2 LEU A 92 -4.103 8.603 7.000 1.00 52.23 C ATOM 0 H LEU A 92 -6.452 12.225 4.368 1.00 63.22 H new ATOM 0 HA LEU A 92 -5.695 11.607 7.149 1.00 1.41 H new ATOM 0 HB2 LEU A 92 -5.339 10.366 4.505 1.00 65.02 H new ATOM 0 HB3 LEU A 92 -3.845 10.467 5.415 1.00 65.02 H new ATOM 0 HG LEU A 92 -6.058 9.456 7.039 1.00 4.45 H new ATOM 0 HD11 LEU A 92 -6.206 7.264 5.930 1.00 12.42 H new ATOM 0 HD12 LEU A 92 -6.831 8.571 4.896 1.00 12.42 H new ATOM 0 HD13 LEU A 92 -5.220 7.884 4.584 1.00 12.42 H new ATOM 0 HD21 LEU A 92 -4.396 7.707 7.547 1.00 52.23 H new ATOM 0 HD22 LEU A 92 -3.339 8.346 6.266 1.00 52.23 H new ATOM 0 HD23 LEU A 92 -3.703 9.339 7.697 1.00 52.23 H new ATOM 1363 N ILE A 93 -3.506 12.836 7.216 1.00 22.14 N ATOM 1364 CA ILE A 93 -2.374 13.746 7.335 1.00 44.11 C ATOM 1365 C ILE A 93 -1.052 12.987 7.307 1.00 3.00 C ATOM 1366 O ILE A 93 -0.929 11.910 7.890 1.00 62.42 O ATOM 1367 CB ILE A 93 -2.450 14.574 8.631 1.00 51.41 C ATOM 1368 CG1 ILE A 93 -3.473 15.704 8.480 1.00 22.25 C ATOM 1369 CG2 ILE A 93 -1.081 15.135 8.983 1.00 50.14 C ATOM 1370 CD1 ILE A 93 -4.900 15.215 8.369 1.00 53.33 C ATOM 0 H ILE A 93 -3.679 12.268 8.045 1.00 22.14 H new ATOM 0 HA ILE A 93 -2.421 14.420 6.480 1.00 44.11 H new ATOM 0 HB ILE A 93 -2.773 13.922 9.443 1.00 51.41 H new ATOM 0 HG12 ILE A 93 -3.392 16.373 9.336 1.00 22.25 H new ATOM 0 HG13 ILE A 93 -3.228 16.289 7.594 1.00 22.25 H new ATOM 0 HG21 ILE A 93 -1.152 15.718 9.901 1.00 50.14 H new ATOM 0 HG22 ILE A 93 -0.378 14.315 9.127 1.00 50.14 H new ATOM 0 HG23 ILE A 93 -0.731 15.775 8.173 1.00 50.14 H new ATOM 0 HD11 ILE A 93 -5.570 16.068 8.265 1.00 53.33 H new ATOM 0 HD12 ILE A 93 -4.996 14.569 7.496 1.00 53.33 H new ATOM 0 HD13 ILE A 93 -5.163 14.655 9.266 1.00 53.33 H new ATOM 1382 N PHE A 94 -0.062 13.558 6.628 1.00 33.41 N ATOM 1383 CA PHE A 94 1.252 12.935 6.525 1.00 44.21 C ATOM 1384 C PHE A 94 2.175 13.426 7.638 1.00 55.13 C ATOM 1385 O PHE A 94 2.451 14.619 7.770 1.00 62.23 O ATOM 1386 CB PHE A 94 1.877 13.236 5.160 1.00 71.22 C ATOM 1387 CG PHE A 94 2.902 12.224 4.735 1.00 42.24 C ATOM 1388 CD1 PHE A 94 4.230 12.367 5.105 1.00 20.50 C ATOM 1389 CD2 PHE A 94 2.538 11.131 3.966 1.00 13.10 C ATOM 1390 CE1 PHE A 94 5.176 11.437 4.714 1.00 50.13 C ATOM 1391 CE2 PHE A 94 3.479 10.198 3.572 1.00 61.43 C ATOM 1392 CZ PHE A 94 4.800 10.351 3.947 1.00 52.25 C ATOM 0 H PHE A 94 -0.145 14.451 6.141 1.00 33.41 H new ATOM 0 HA PHE A 94 1.125 11.857 6.630 1.00 44.21 H new ATOM 0 HB2 PHE A 94 1.088 13.280 4.409 1.00 71.22 H new ATOM 0 HB3 PHE A 94 2.342 14.221 5.191 1.00 71.22 H new ATOM 0 HD1 PHE A 94 4.529 13.214 5.705 1.00 20.50 H new ATOM 0 HD2 PHE A 94 1.507 11.006 3.671 1.00 13.10 H new ATOM 0 HE1 PHE A 94 6.208 11.560 5.008 1.00 50.13 H new ATOM 0 HE2 PHE A 94 3.182 9.351 2.972 1.00 61.43 H new ATOM 0 HZ PHE A 94 5.537 9.623 3.641 1.00 52.25 H new ATOM 1402 N PRO A 95 2.662 12.484 8.459 1.00 1.43 N ATOM 1403 CA PRO A 95 3.561 12.795 9.574 1.00 51.11 C ATOM 1404 C PRO A 95 4.941 13.237 9.102 1.00 51.30 C ATOM 1405 O PRO A 95 5.519 12.640 8.194 1.00 31.10 O ATOM 1406 CB PRO A 95 3.654 11.470 10.335 1.00 44.31 C ATOM 1407 CG PRO A 95 3.362 10.427 9.313 1.00 24.02 C ATOM 1408 CD PRO A 95 2.375 11.043 8.361 1.00 1.01 C ATOM 0 HA PRO A 95 3.190 13.624 10.177 1.00 51.11 H new ATOM 0 HB2 PRO A 95 4.644 11.332 10.770 1.00 44.31 H new ATOM 0 HB3 PRO A 95 2.937 11.433 11.155 1.00 44.31 H new ATOM 0 HG2 PRO A 95 4.271 10.126 8.792 1.00 24.02 H new ATOM 0 HG3 PRO A 95 2.949 9.531 9.777 1.00 24.02 H new ATOM 0 HD2 PRO A 95 2.513 10.674 7.345 1.00 1.01 H new ATOM 0 HD3 PRO A 95 1.347 10.817 8.646 1.00 1.01 H new ATOM 1416 N LYS A 96 5.466 14.287 9.724 1.00 44.30 N ATOM 1417 CA LYS A 96 6.782 14.809 9.368 1.00 54.25 C ATOM 1418 C LYS A 96 7.875 13.798 9.697 1.00 31.13 C ATOM 1419 O LYS A 96 9.010 13.924 9.237 1.00 2.23 O ATOM 1420 CB LYS A 96 7.048 16.122 10.107 1.00 55.51 C ATOM 1421 CG LYS A 96 6.171 17.272 9.641 1.00 64.40 C ATOM 1422 CD LYS A 96 6.938 18.583 9.612 1.00 13.01 C ATOM 1423 CE LYS A 96 6.826 19.323 10.936 1.00 31.21 C ATOM 1424 NZ LYS A 96 8.123 19.931 11.344 1.00 24.01 N ATOM 0 H LYS A 96 5.001 14.794 10.477 1.00 44.30 H new ATOM 0 HA LYS A 96 6.794 14.994 8.294 1.00 54.25 H new ATOM 0 HB2 LYS A 96 6.891 15.966 11.174 1.00 55.51 H new ATOM 0 HB3 LYS A 96 8.094 16.398 9.975 1.00 55.51 H new ATOM 0 HG2 LYS A 96 5.783 17.055 8.646 1.00 64.40 H new ATOM 0 HG3 LYS A 96 5.311 17.367 10.305 1.00 64.40 H new ATOM 0 HD2 LYS A 96 7.987 18.387 9.391 1.00 13.01 H new ATOM 0 HD3 LYS A 96 6.555 19.212 8.809 1.00 13.01 H new ATOM 0 HE2 LYS A 96 6.070 20.103 10.853 1.00 31.21 H new ATOM 0 HE3 LYS A 96 6.489 18.633 11.710 1.00 31.21 H new ATOM 0 HZ1 LYS A 96 8.004 20.426 12.251 1.00 24.01 H new ATOM 0 HZ2 LYS A 96 8.839 19.184 11.448 1.00 24.01 H new ATOM 0 HZ3 LYS A 96 8.433 20.608 10.618 1.00 24.01 H new ATOM 1438 N LYS A 97 7.527 12.794 10.495 1.00 34.44 N ATOM 1439 CA LYS A 97 8.477 11.758 10.883 1.00 52.44 C ATOM 1440 C LYS A 97 8.583 10.685 9.804 1.00 14.12 C ATOM 1441 O LYS A 97 9.552 9.927 9.763 1.00 52.12 O ATOM 1442 CB LYS A 97 8.057 11.123 12.210 1.00 11.31 C ATOM 1443 CG LYS A 97 8.036 12.101 13.372 1.00 15.04 C ATOM 1444 CD LYS A 97 6.799 11.915 14.236 1.00 12.43 C ATOM 1445 CE LYS A 97 5.785 13.024 14.002 1.00 42.20 C ATOM 1446 NZ LYS A 97 4.439 12.482 13.671 1.00 75.24 N ATOM 0 H LYS A 97 6.592 12.676 10.886 1.00 34.44 H new ATOM 0 HA LYS A 97 9.455 12.224 11.004 1.00 52.44 H new ATOM 0 HB2 LYS A 97 7.065 10.686 12.096 1.00 11.31 H new ATOM 0 HB3 LYS A 97 8.740 10.307 12.445 1.00 11.31 H new ATOM 0 HG2 LYS A 97 8.930 11.964 13.980 1.00 15.04 H new ATOM 0 HG3 LYS A 97 8.064 13.122 12.990 1.00 15.04 H new ATOM 0 HD2 LYS A 97 6.342 10.950 14.016 1.00 12.43 H new ATOM 0 HD3 LYS A 97 7.087 11.899 15.287 1.00 12.43 H new ATOM 0 HE2 LYS A 97 5.716 13.648 14.893 1.00 42.20 H new ATOM 0 HE3 LYS A 97 6.128 13.665 13.190 1.00 42.20 H new ATOM 0 HZ1 LYS A 97 3.807 13.263 13.403 1.00 75.24 H new ATOM 0 HZ2 LYS A 97 4.519 11.814 12.878 1.00 75.24 H new ATOM 0 HZ3 LYS A 97 4.049 11.990 14.500 1.00 75.24 H new ATOM 1460 N ALA A 98 7.583 10.628 8.932 1.00 34.42 N ATOM 1461 CA ALA A 98 7.565 9.650 7.852 1.00 2.13 C ATOM 1462 C ALA A 98 8.684 9.917 6.851 1.00 0.52 C ATOM 1463 O ALA A 98 9.073 11.065 6.633 1.00 50.52 O ATOM 1464 CB ALA A 98 6.214 9.661 7.150 1.00 54.24 C ATOM 0 H ALA A 98 6.774 11.248 8.952 1.00 34.42 H new ATOM 0 HA ALA A 98 7.728 8.664 8.287 1.00 2.13 H new ATOM 0 HB1 ALA A 98 6.216 8.925 6.346 1.00 54.24 H new ATOM 0 HB2 ALA A 98 5.430 9.414 7.866 1.00 54.24 H new ATOM 0 HB3 ALA A 98 6.028 10.652 6.735 1.00 54.24 H new ATOM 1470 N SER A 99 9.198 8.852 6.247 1.00 25.35 N ATOM 1471 CA SER A 99 10.278 8.971 5.273 1.00 3.01 C ATOM 1472 C SER A 99 9.783 8.633 3.870 1.00 13.11 C ATOM 1473 O SER A 99 9.457 7.484 3.575 1.00 33.45 O ATOM 1474 CB SER A 99 11.440 8.052 5.653 1.00 63.10 C ATOM 1475 OG SER A 99 11.403 7.725 7.031 1.00 44.21 O ATOM 0 H SER A 99 8.885 7.896 6.414 1.00 25.35 H new ATOM 0 HA SER A 99 10.626 10.004 5.277 1.00 3.01 H new ATOM 0 HB2 SER A 99 11.395 7.140 5.058 1.00 63.10 H new ATOM 0 HB3 SER A 99 12.386 8.540 5.417 1.00 63.10 H new ATOM 0 HG SER A 99 12.155 7.135 7.248 1.00 44.21 H new ATOM 1481 N VAL A 100 9.730 9.644 3.009 1.00 60.33 N ATOM 1482 CA VAL A 100 9.277 9.454 1.636 1.00 74.24 C ATOM 1483 C VAL A 100 10.168 8.465 0.894 1.00 62.15 C ATOM 1484 O VAL A 100 9.711 7.753 0.000 1.00 3.23 O ATOM 1485 CB VAL A 100 9.252 10.787 0.864 1.00 12.21 C ATOM 1486 CG1 VAL A 100 8.388 11.809 1.588 1.00 32.15 C ATOM 1487 CG2 VAL A 100 10.666 11.315 0.669 1.00 32.44 C ATOM 0 H VAL A 100 9.995 10.602 3.237 1.00 60.33 H new ATOM 0 HA VAL A 100 8.264 9.055 1.689 1.00 74.24 H new ATOM 0 HB VAL A 100 8.815 10.609 -0.119 1.00 12.21 H new ATOM 0 HG11 VAL A 100 8.383 12.744 1.027 1.00 32.15 H new ATOM 0 HG12 VAL A 100 7.369 11.430 1.671 1.00 32.15 H new ATOM 0 HG13 VAL A 100 8.792 11.986 2.585 1.00 32.15 H new ATOM 0 HG21 VAL A 100 10.630 12.257 0.122 1.00 32.44 H new ATOM 0 HG22 VAL A 100 11.131 11.477 1.641 1.00 32.44 H new ATOM 0 HG23 VAL A 100 11.251 10.589 0.104 1.00 32.44 H new ATOM 1497 N GLU A 101 11.442 8.430 1.270 1.00 31.35 N ATOM 1498 CA GLU A 101 12.398 7.527 0.638 1.00 54.24 C ATOM 1499 C GLU A 101 12.041 6.071 0.920 1.00 71.30 C ATOM 1500 O GLU A 101 12.193 5.206 0.058 1.00 64.11 O ATOM 1501 CB GLU A 101 13.815 7.821 1.136 1.00 12.22 C ATOM 1502 CG GLU A 101 14.347 9.174 0.693 1.00 50.43 C ATOM 1503 CD GLU A 101 14.634 9.231 -0.794 1.00 51.22 C ATOM 1504 OE1 GLU A 101 15.484 8.447 -1.265 1.00 31.14 O ATOM 1505 OE2 GLU A 101 14.009 10.060 -1.489 1.00 14.13 O ATOM 0 H GLU A 101 11.836 9.015 2.007 1.00 31.35 H new ATOM 0 HA GLU A 101 12.356 7.691 -0.439 1.00 54.24 H new ATOM 0 HB2 GLU A 101 13.825 7.775 2.225 1.00 12.22 H new ATOM 0 HB3 GLU A 101 14.486 7.041 0.777 1.00 12.22 H new ATOM 0 HG2 GLU A 101 13.622 9.946 0.949 1.00 50.43 H new ATOM 0 HG3 GLU A 101 15.260 9.399 1.244 1.00 50.43 H new ATOM 1512 N GLN A 102 11.564 5.809 2.133 1.00 63.10 N ATOM 1513 CA GLN A 102 11.186 4.458 2.529 1.00 63.21 C ATOM 1514 C GLN A 102 9.868 4.049 1.880 1.00 11.25 C ATOM 1515 O GLN A 102 9.713 2.916 1.423 1.00 75.34 O ATOM 1516 CB GLN A 102 11.071 4.363 4.052 1.00 31.33 C ATOM 1517 CG GLN A 102 11.126 2.938 4.578 1.00 51.22 C ATOM 1518 CD GLN A 102 9.941 2.104 4.128 1.00 54.21 C ATOM 1519 OE1 GLN A 102 10.105 0.985 3.640 1.00 54.45 O ATOM 1520 NE2 GLN A 102 8.740 2.646 4.292 1.00 64.41 N ATOM 0 H GLN A 102 11.430 6.514 2.858 1.00 63.10 H new ATOM 0 HA GLN A 102 11.964 3.775 2.188 1.00 63.21 H new ATOM 0 HB2 GLN A 102 11.877 4.940 4.506 1.00 31.33 H new ATOM 0 HB3 GLN A 102 10.134 4.822 4.367 1.00 31.33 H new ATOM 0 HG2 GLN A 102 12.048 2.465 4.240 1.00 51.22 H new ATOM 0 HG3 GLN A 102 11.159 2.958 5.667 1.00 51.22 H new ATOM 0 HE21 GLN A 102 8.652 3.576 4.701 1.00 64.41 H new ATOM 0 HE22 GLN A 102 7.906 2.132 4.009 1.00 64.41 H new ATOM 1529 N LEU A 103 8.919 4.978 1.846 1.00 72.04 N ATOM 1530 CA LEU A 103 7.613 4.716 1.254 1.00 63.30 C ATOM 1531 C LEU A 103 7.750 4.293 -0.206 1.00 23.15 C ATOM 1532 O LEU A 103 7.005 3.441 -0.688 1.00 12.14 O ATOM 1533 CB LEU A 103 6.725 5.957 1.355 1.00 63.14 C ATOM 1534 CG LEU A 103 5.513 5.845 2.279 1.00 1.11 C ATOM 1535 CD1 LEU A 103 5.099 7.217 2.787 1.00 33.35 C ATOM 1536 CD2 LEU A 103 4.355 5.167 1.560 1.00 31.52 C ATOM 0 H LEU A 103 9.030 5.920 2.222 1.00 72.04 H new ATOM 0 HA LEU A 103 7.150 3.899 1.808 1.00 63.30 H new ATOM 0 HB2 LEU A 103 7.339 6.791 1.695 1.00 63.14 H new ATOM 0 HB3 LEU A 103 6.372 6.208 0.355 1.00 63.14 H new ATOM 0 HG LEU A 103 5.790 5.232 3.137 1.00 1.11 H new ATOM 0 HD11 LEU A 103 4.234 7.116 3.443 1.00 33.35 H new ATOM 0 HD12 LEU A 103 5.925 7.664 3.340 1.00 33.35 H new ATOM 0 HD13 LEU A 103 4.841 7.855 1.942 1.00 33.35 H new ATOM 0 HD21 LEU A 103 3.501 5.096 2.233 1.00 31.52 H new ATOM 0 HD22 LEU A 103 4.078 5.752 0.683 1.00 31.52 H new ATOM 0 HD23 LEU A 103 4.656 4.167 1.248 1.00 31.52 H new ATOM 1548 N GLN A 104 8.711 4.892 -0.902 1.00 1.03 N ATOM 1549 CA GLN A 104 8.948 4.576 -2.306 1.00 40.24 C ATOM 1550 C GLN A 104 9.543 3.180 -2.457 1.00 12.11 C ATOM 1551 O GLN A 104 9.133 2.408 -3.325 1.00 10.31 O ATOM 1552 CB GLN A 104 9.882 5.612 -2.933 1.00 13.13 C ATOM 1553 CG GLN A 104 9.546 5.938 -4.380 1.00 13.54 C ATOM 1554 CD GLN A 104 10.517 5.310 -5.361 1.00 12.54 C ATOM 1555 OE1 GLN A 104 11.532 5.910 -5.716 1.00 72.54 O ATOM 1556 NE2 GLN A 104 10.211 4.097 -5.803 1.00 73.24 N ATOM 0 H GLN A 104 9.338 5.598 -0.517 1.00 1.03 H new ATOM 0 HA GLN A 104 7.990 4.600 -2.825 1.00 40.24 H new ATOM 0 HB2 GLN A 104 9.842 6.528 -2.344 1.00 13.13 H new ATOM 0 HB3 GLN A 104 10.907 5.244 -2.881 1.00 13.13 H new ATOM 0 HG2 GLN A 104 8.537 5.591 -4.602 1.00 13.54 H new ATOM 0 HG3 GLN A 104 9.548 7.020 -4.515 1.00 13.54 H new ATOM 0 HE21 GLN A 104 9.359 3.637 -5.482 1.00 73.24 H new ATOM 0 HE22 GLN A 104 10.828 3.624 -6.464 1.00 73.24 H new ATOM 1565 N LYS A 105 10.511 2.861 -1.605 1.00 5.01 N ATOM 1566 CA LYS A 105 11.164 1.556 -1.642 1.00 33.24 C ATOM 1567 C LYS A 105 10.139 0.433 -1.519 1.00 11.24 C ATOM 1568 O LYS A 105 10.162 -0.527 -2.290 1.00 53.43 O ATOM 1569 CB LYS A 105 12.195 1.447 -0.516 1.00 61.05 C ATOM 1570 CG LYS A 105 13.508 2.146 -0.824 1.00 70.23 C ATOM 1571 CD LYS A 105 14.700 1.264 -0.499 1.00 22.34 C ATOM 1572 CE LYS A 105 15.794 2.044 0.215 1.00 53.41 C ATOM 1573 NZ LYS A 105 16.866 2.479 -0.721 1.00 72.24 N ATOM 0 H LYS A 105 10.861 3.487 -0.880 1.00 5.01 H new ATOM 0 HA LYS A 105 11.672 1.457 -2.601 1.00 33.24 H new ATOM 0 HB2 LYS A 105 11.772 1.871 0.395 1.00 61.05 H new ATOM 0 HB3 LYS A 105 12.392 0.394 -0.316 1.00 61.05 H new ATOM 0 HG2 LYS A 105 13.535 2.422 -1.878 1.00 70.23 H new ATOM 0 HG3 LYS A 105 13.572 3.071 -0.251 1.00 70.23 H new ATOM 0 HD2 LYS A 105 14.378 0.432 0.127 1.00 22.34 H new ATOM 0 HD3 LYS A 105 15.098 0.836 -1.419 1.00 22.34 H new ATOM 0 HE2 LYS A 105 15.359 2.918 0.700 1.00 53.41 H new ATOM 0 HE3 LYS A 105 16.227 1.425 1.001 1.00 53.41 H new ATOM 0 HZ1 LYS A 105 17.592 3.007 -0.196 1.00 72.24 H new ATOM 0 HZ2 LYS A 105 17.299 1.644 -1.166 1.00 72.24 H new ATOM 0 HZ3 LYS A 105 16.458 3.090 -1.457 1.00 72.24 H new ATOM 1587 N ILE A 106 9.243 0.559 -0.546 1.00 42.21 N ATOM 1588 CA ILE A 106 8.210 -0.445 -0.324 1.00 24.53 C ATOM 1589 C ILE A 106 7.113 -0.348 -1.379 1.00 50.44 C ATOM 1590 O ILE A 106 6.546 -1.358 -1.794 1.00 14.10 O ATOM 1591 CB ILE A 106 7.578 -0.303 1.072 1.00 13.33 C ATOM 1592 CG1 ILE A 106 6.566 -1.426 1.315 1.00 44.31 C ATOM 1593 CG2 ILE A 106 6.912 1.058 1.217 1.00 63.13 C ATOM 1594 CD1 ILE A 106 6.049 -1.476 2.735 1.00 51.12 C ATOM 0 H ILE A 106 9.212 1.347 0.101 1.00 42.21 H new ATOM 0 HA ILE A 106 8.695 -1.418 -0.397 1.00 24.53 H new ATOM 0 HB ILE A 106 8.366 -0.381 1.821 1.00 13.33 H new ATOM 0 HG12 ILE A 106 5.724 -1.299 0.635 1.00 44.31 H new ATOM 0 HG13 ILE A 106 7.031 -2.382 1.072 1.00 44.31 H new ATOM 0 HG21 ILE A 106 6.470 1.143 2.210 1.00 63.13 H new ATOM 0 HG22 ILE A 106 7.656 1.843 1.083 1.00 63.13 H new ATOM 0 HG23 ILE A 106 6.133 1.164 0.462 1.00 63.13 H new ATOM 0 HD11 ILE A 106 5.337 -2.295 2.834 1.00 51.12 H new ATOM 0 HD12 ILE A 106 6.882 -1.634 3.420 1.00 51.12 H new ATOM 0 HD13 ILE A 106 5.555 -0.535 2.976 1.00 51.12 H new ATOM 1606 N ARG A 107 6.822 0.876 -1.810 1.00 4.21 N ATOM 1607 CA ARG A 107 5.794 1.105 -2.818 1.00 43.24 C ATOM 1608 C ARG A 107 6.206 0.510 -4.162 1.00 54.21 C ATOM 1609 O ARG A 107 5.358 0.137 -4.972 1.00 62.03 O ATOM 1610 CB ARG A 107 5.528 2.605 -2.972 1.00 22.30 C ATOM 1611 CG ARG A 107 4.762 2.959 -4.237 1.00 2.34 C ATOM 1612 CD ARG A 107 5.705 3.313 -5.377 1.00 41.14 C ATOM 1613 NE ARG A 107 5.040 4.101 -6.413 1.00 11.03 N ATOM 1614 CZ ARG A 107 5.489 4.205 -7.658 1.00 13.32 C ATOM 1615 NH1 ARG A 107 6.597 3.576 -8.023 1.00 14.44 N ATOM 1616 NH2 ARG A 107 4.828 4.941 -8.543 1.00 63.11 N ATOM 0 H ARG A 107 7.283 1.723 -1.477 1.00 4.21 H new ATOM 0 HA ARG A 107 4.880 0.611 -2.488 1.00 43.24 H new ATOM 0 HB2 ARG A 107 4.967 2.957 -2.106 1.00 22.30 H new ATOM 0 HB3 ARG A 107 6.480 3.136 -2.972 1.00 22.30 H new ATOM 0 HG2 ARG A 107 4.133 2.118 -4.531 1.00 2.34 H new ATOM 0 HG3 ARG A 107 4.097 3.800 -4.038 1.00 2.34 H new ATOM 0 HD2 ARG A 107 6.554 3.873 -4.985 1.00 41.14 H new ATOM 0 HD3 ARG A 107 6.102 2.398 -5.816 1.00 41.14 H new ATOM 0 HE ARG A 107 4.184 4.598 -6.166 1.00 11.03 H new ATOM 0 HH11 ARG A 107 7.108 3.009 -7.346 1.00 14.44 H new ATOM 0 HH12 ARG A 107 6.938 3.659 -8.981 1.00 14.44 H new ATOM 0 HH21 ARG A 107 3.975 5.427 -8.267 1.00 63.11 H new ATOM 0 HH22 ARG A 107 5.173 5.021 -9.499 1.00 63.11 H new ATOM 1630 N ASP A 108 7.513 0.424 -4.388 1.00 21.10 N ATOM 1631 CA ASP A 108 8.037 -0.127 -5.632 1.00 60.23 C ATOM 1632 C ASP A 108 7.576 -1.568 -5.826 1.00 62.42 C ATOM 1633 O ASP A 108 7.298 -1.997 -6.947 1.00 0.03 O ATOM 1634 CB ASP A 108 9.565 -0.062 -5.640 1.00 42.22 C ATOM 1635 CG ASP A 108 10.123 0.299 -7.002 1.00 71.54 C ATOM 1636 OD1 ASP A 108 9.836 1.416 -7.486 1.00 1.44 O ATOM 1637 OD2 ASP A 108 10.845 -0.534 -7.587 1.00 64.41 O ATOM 0 H ASP A 108 8.228 0.728 -3.727 1.00 21.10 H new ATOM 0 HA ASP A 108 7.651 0.473 -6.456 1.00 60.23 H new ATOM 0 HB2 ASP A 108 9.898 0.674 -4.908 1.00 42.22 H new ATOM 0 HB3 ASP A 108 9.968 -1.026 -5.330 1.00 42.22 H new ATOM 1642 N LEU A 109 7.499 -2.312 -4.728 1.00 54.22 N ATOM 1643 CA LEU A 109 7.073 -3.705 -4.776 1.00 64.03 C ATOM 1644 C LEU A 109 5.575 -3.808 -5.043 1.00 32.11 C ATOM 1645 O LEU A 109 5.109 -4.759 -5.672 1.00 5.44 O ATOM 1646 CB LEU A 109 7.418 -4.411 -3.463 1.00 31.40 C ATOM 1647 CG LEU A 109 8.846 -4.945 -3.344 1.00 53.13 C ATOM 1648 CD1 LEU A 109 9.536 -4.353 -2.124 1.00 22.25 C ATOM 1649 CD2 LEU A 109 8.842 -6.464 -3.273 1.00 30.30 C ATOM 0 H LEU A 109 7.726 -1.973 -3.793 1.00 54.22 H new ATOM 0 HA LEU A 109 7.604 -4.193 -5.594 1.00 64.03 H new ATOM 0 HB2 LEU A 109 7.242 -3.716 -2.642 1.00 31.40 H new ATOM 0 HB3 LEU A 109 6.728 -5.244 -3.329 1.00 31.40 H new ATOM 0 HG LEU A 109 9.402 -4.645 -4.232 1.00 53.13 H new ATOM 0 HD11 LEU A 109 10.551 -4.744 -2.055 1.00 22.25 H new ATOM 0 HD12 LEU A 109 9.571 -3.267 -2.217 1.00 22.25 H new ATOM 0 HD13 LEU A 109 8.981 -4.623 -1.225 1.00 22.25 H new ATOM 0 HD21 LEU A 109 9.866 -6.827 -3.189 1.00 30.30 H new ATOM 0 HD22 LEU A 109 8.270 -6.786 -2.403 1.00 30.30 H new ATOM 0 HD23 LEU A 109 8.387 -6.869 -4.177 1.00 30.30 H new ATOM 1661 N ILE A 110 4.825 -2.822 -4.563 1.00 53.31 N ATOM 1662 CA ILE A 110 3.379 -2.801 -4.752 1.00 61.05 C ATOM 1663 C ILE A 110 3.020 -2.515 -6.207 1.00 73.43 C ATOM 1664 O ILE A 110 2.213 -3.222 -6.808 1.00 71.15 O ATOM 1665 CB ILE A 110 2.709 -1.744 -3.853 1.00 15.23 C ATOM 1666 CG1 ILE A 110 3.368 -1.727 -2.472 1.00 20.35 C ATOM 1667 CG2 ILE A 110 1.218 -2.022 -3.731 1.00 34.20 C ATOM 1668 CD1 ILE A 110 3.510 -3.100 -1.853 1.00 73.42 C ATOM 0 H ILE A 110 5.194 -2.027 -4.041 1.00 53.31 H new ATOM 0 HA ILE A 110 3.010 -3.788 -4.475 1.00 61.05 H new ATOM 0 HB ILE A 110 2.840 -0.763 -4.310 1.00 15.23 H new ATOM 0 HG12 ILE A 110 4.355 -1.271 -2.555 1.00 20.35 H new ATOM 0 HG13 ILE A 110 2.780 -1.096 -1.806 1.00 20.35 H new ATOM 0 HG21 ILE A 110 0.758 -1.267 -3.093 1.00 34.20 H new ATOM 0 HG22 ILE A 110 0.760 -1.990 -4.719 1.00 34.20 H new ATOM 0 HG23 ILE A 110 1.066 -3.009 -3.293 1.00 34.20 H new ATOM 0 HD11 ILE A 110 3.985 -3.011 -0.876 1.00 73.42 H new ATOM 0 HD12 ILE A 110 2.524 -3.551 -1.738 1.00 73.42 H new ATOM 0 HD13 ILE A 110 4.123 -3.729 -2.499 1.00 73.42 H new ATOM 1680 N ALA A 111 3.626 -1.473 -6.767 1.00 4.02 N ATOM 1681 CA ALA A 111 3.374 -1.096 -8.153 1.00 53.41 C ATOM 1682 C ALA A 111 3.596 -2.277 -9.093 1.00 54.31 C ATOM 1683 O ALA A 111 2.793 -2.525 -9.991 1.00 73.03 O ATOM 1684 CB ALA A 111 4.264 0.072 -8.552 1.00 13.43 C ATOM 0 H ALA A 111 4.295 -0.875 -6.282 1.00 4.02 H new ATOM 0 HA ALA A 111 2.331 -0.790 -8.236 1.00 53.41 H new ATOM 0 HB1 ALA A 111 4.066 0.343 -9.589 1.00 13.43 H new ATOM 0 HB2 ALA A 111 4.055 0.926 -7.907 1.00 13.43 H new ATOM 0 HB3 ALA A 111 5.310 -0.215 -8.446 1.00 13.43 H new ATOM 1690 N ILE A 112 4.689 -3.001 -8.877 1.00 42.41 N ATOM 1691 CA ILE A 112 5.014 -4.155 -9.706 1.00 2.23 C ATOM 1692 C ILE A 112 4.094 -5.331 -9.396 1.00 62.30 C ATOM 1693 O ILE A 112 3.706 -6.080 -10.290 1.00 64.33 O ATOM 1694 CB ILE A 112 6.476 -4.596 -9.508 1.00 1.02 C ATOM 1695 CG1 ILE A 112 6.804 -5.778 -10.422 1.00 3.30 C ATOM 1696 CG2 ILE A 112 6.728 -4.960 -8.051 1.00 73.45 C ATOM 1697 CD1 ILE A 112 6.701 -5.450 -11.895 1.00 21.01 C ATOM 0 H ILE A 112 5.363 -2.809 -8.136 1.00 42.41 H new ATOM 0 HA ILE A 112 4.872 -3.849 -10.743 1.00 2.23 H new ATOM 0 HB ILE A 112 7.129 -3.764 -9.773 1.00 1.02 H new ATOM 0 HG12 ILE A 112 7.814 -6.125 -10.205 1.00 3.30 H new ATOM 0 HG13 ILE A 112 6.128 -6.602 -10.193 1.00 3.30 H new ATOM 0 HG21 ILE A 112 7.766 -5.270 -7.928 1.00 73.45 H new ATOM 0 HG22 ILE A 112 6.530 -4.093 -7.420 1.00 73.45 H new ATOM 0 HG23 ILE A 112 6.068 -5.778 -7.761 1.00 73.45 H new ATOM 0 HD11 ILE A 112 6.947 -6.334 -12.483 1.00 21.01 H new ATOM 0 HD12 ILE A 112 5.685 -5.132 -12.127 1.00 21.01 H new ATOM 0 HD13 ILE A 112 7.397 -4.647 -12.139 1.00 21.01 H new ATOM 1709 N GLU A 113 3.748 -5.484 -8.121 1.00 35.23 N ATOM 1710 CA GLU A 113 2.872 -6.568 -7.694 1.00 73.02 C ATOM 1711 C GLU A 113 1.515 -6.479 -8.387 1.00 0.21 C ATOM 1712 O GLU A 113 0.896 -7.496 -8.697 1.00 15.23 O ATOM 1713 CB GLU A 113 2.684 -6.534 -6.175 1.00 63.01 C ATOM 1714 CG GLU A 113 1.908 -7.720 -5.631 1.00 22.43 C ATOM 1715 CD GLU A 113 2.658 -8.458 -4.538 1.00 52.41 C ATOM 1716 OE1 GLU A 113 2.563 -8.037 -3.367 1.00 0.03 O ATOM 1717 OE2 GLU A 113 3.340 -9.453 -4.855 1.00 25.31 O ATOM 0 H GLU A 113 4.061 -4.872 -7.368 1.00 35.23 H new ATOM 0 HA GLU A 113 3.342 -7.511 -7.974 1.00 73.02 H new ATOM 0 HB2 GLU A 113 3.663 -6.501 -5.697 1.00 63.01 H new ATOM 0 HB3 GLU A 113 2.165 -5.615 -5.902 1.00 63.01 H new ATOM 0 HG2 GLU A 113 0.951 -7.374 -5.240 1.00 22.43 H new ATOM 0 HG3 GLU A 113 1.689 -8.410 -6.446 1.00 22.43 H new ATOM 1724 N ARG A 114 1.061 -5.253 -8.628 1.00 11.13 N ATOM 1725 CA ARG A 114 -0.221 -5.029 -9.283 1.00 71.24 C ATOM 1726 C ARG A 114 -0.260 -5.705 -10.650 1.00 34.31 C ATOM 1727 O ARG A 114 -1.210 -6.418 -10.974 1.00 35.22 O ATOM 1728 CB ARG A 114 -0.485 -3.530 -9.436 1.00 70.22 C ATOM 1729 CG ARG A 114 -1.509 -2.987 -8.454 1.00 21.03 C ATOM 1730 CD ARG A 114 -0.846 -2.188 -7.341 1.00 62.30 C ATOM 1731 NE ARG A 114 -1.317 -2.594 -6.020 1.00 51.14 N ATOM 1732 CZ ARG A 114 -0.939 -3.715 -5.416 1.00 74.43 C ATOM 1733 NH1 ARG A 114 -0.087 -4.538 -6.013 1.00 33.02 N ATOM 1734 NH2 ARG A 114 -1.413 -4.013 -4.214 1.00 33.23 N ATOM 0 H ARG A 114 1.562 -4.400 -8.379 1.00 11.13 H new ATOM 0 HA ARG A 114 -1.000 -5.467 -8.659 1.00 71.24 H new ATOM 0 HB2 ARG A 114 0.453 -2.990 -9.305 1.00 70.22 H new ATOM 0 HB3 ARG A 114 -0.828 -3.332 -10.452 1.00 70.22 H new ATOM 0 HG2 ARG A 114 -2.222 -2.354 -8.983 1.00 21.03 H new ATOM 0 HG3 ARG A 114 -2.075 -3.813 -8.023 1.00 21.03 H new ATOM 0 HD2 ARG A 114 0.235 -2.318 -7.396 1.00 62.30 H new ATOM 0 HD3 ARG A 114 -1.047 -1.127 -7.487 1.00 62.30 H new ATOM 0 HE ARG A 114 -1.973 -1.983 -5.534 1.00 51.14 H new ATOM 0 HH11 ARG A 114 0.279 -4.310 -6.937 1.00 33.02 H new ATOM 0 HH12 ARG A 114 0.202 -5.398 -5.548 1.00 33.02 H new ATOM 0 HH21 ARG A 114 -2.068 -3.381 -3.753 1.00 33.23 H new ATOM 0 HH22 ARG A 114 -1.123 -4.874 -3.750 1.00 33.23 H new ATOM 1748 N SER A 115 0.778 -5.477 -11.447 1.00 5.22 N ATOM 1749 CA SER A 115 0.862 -6.062 -12.780 1.00 4.53 C ATOM 1750 C SER A 115 1.044 -7.574 -12.701 1.00 72.13 C ATOM 1751 O SER A 115 0.549 -8.315 -13.550 1.00 1.41 O ATOM 1752 CB SER A 115 2.020 -5.439 -13.562 1.00 41.55 C ATOM 1753 OG SER A 115 2.425 -4.209 -12.980 1.00 33.45 O ATOM 0 H SER A 115 1.573 -4.891 -11.193 1.00 5.22 H new ATOM 0 HA SER A 115 -0.073 -5.853 -13.300 1.00 4.53 H new ATOM 0 HB2 SER A 115 2.863 -6.130 -13.583 1.00 41.55 H new ATOM 0 HB3 SER A 115 1.718 -5.274 -14.596 1.00 41.55 H new ATOM 0 HG SER A 115 3.167 -3.831 -13.497 1.00 33.45 H new ATOM 1759 N SER A 116 1.757 -8.025 -11.673 1.00 10.42 N ATOM 1760 CA SER A 116 2.008 -9.448 -11.483 1.00 33.10 C ATOM 1761 C SER A 116 0.702 -10.205 -11.258 1.00 3.24 C ATOM 1762 O SER A 116 0.569 -11.364 -11.652 1.00 31.52 O ATOM 1763 CB SER A 116 2.950 -9.668 -10.297 1.00 33.45 C ATOM 1764 OG SER A 116 3.258 -11.042 -10.139 1.00 32.24 O ATOM 0 H SER A 116 2.171 -7.425 -10.959 1.00 10.42 H new ATOM 0 HA SER A 116 2.479 -9.833 -12.388 1.00 33.10 H new ATOM 0 HB2 SER A 116 3.869 -9.101 -10.448 1.00 33.45 H new ATOM 0 HB3 SER A 116 2.488 -9.289 -9.386 1.00 33.45 H new ATOM 0 HG SER A 116 3.862 -11.156 -9.376 1.00 32.24 H new ATOM 1770 N ARG A 117 -0.257 -9.542 -10.624 1.00 54.35 N ATOM 1771 CA ARG A 117 -1.552 -10.150 -10.345 1.00 33.35 C ATOM 1772 C ARG A 117 -2.419 -10.184 -11.600 1.00 55.33 C ATOM 1773 O ARG A 117 -3.286 -11.046 -11.746 1.00 42.02 O ATOM 1774 CB ARG A 117 -2.273 -9.382 -9.234 1.00 1.31 C ATOM 1775 CG ARG A 117 -3.600 -10.003 -8.827 1.00 41.54 C ATOM 1776 CD ARG A 117 -3.399 -11.167 -7.872 1.00 20.42 C ATOM 1777 NE ARG A 117 -4.487 -12.138 -7.956 1.00 71.12 N ATOM 1778 CZ ARG A 117 -4.412 -13.372 -7.471 1.00 25.20 C ATOM 1779 NH1 ARG A 117 -3.304 -13.784 -6.870 1.00 73.01 N ATOM 1780 NH2 ARG A 117 -5.445 -14.196 -7.587 1.00 2.22 N ATOM 0 H ARG A 117 -0.162 -8.582 -10.293 1.00 54.35 H new ATOM 0 HA ARG A 117 -1.380 -11.175 -10.015 1.00 33.35 H new ATOM 0 HB2 ARG A 117 -1.623 -9.328 -8.360 1.00 1.31 H new ATOM 0 HB3 ARG A 117 -2.447 -8.358 -9.565 1.00 1.31 H new ATOM 0 HG2 ARG A 117 -4.227 -9.247 -8.354 1.00 41.54 H new ATOM 0 HG3 ARG A 117 -4.130 -10.347 -9.715 1.00 41.54 H new ATOM 0 HD2 ARG A 117 -2.454 -11.661 -8.097 1.00 20.42 H new ATOM 0 HD3 ARG A 117 -3.327 -10.791 -6.852 1.00 20.42 H new ATOM 0 HE ARG A 117 -5.353 -11.852 -8.413 1.00 71.12 H new ATOM 0 HH11 ARG A 117 -2.508 -13.153 -6.780 1.00 73.01 H new ATOM 0 HH12 ARG A 117 -3.248 -14.732 -6.498 1.00 73.01 H new ATOM 0 HH21 ARG A 117 -6.298 -13.882 -8.049 1.00 2.22 H new ATOM 0 HH22 ARG A 117 -5.386 -15.144 -7.214 1.00 2.22 H new