USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 581 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 41 GLN : amide:sc= -2.73 K(o=-6,f=-1.9) USER MOD Set 1.2: A 46 ASN : amide:sc= -3.24 K(o=-6,f=-2.8) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 48:sc= 0.205 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 120:sc= -0.735 USER MOD Single : A 62 THR OG1 : rot 172:sc= 0.0465 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -105:sc= 0.0773 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -88:sc= 1.01 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0.985 (180deg=0.962) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= -0.076 (180deg=-0.1) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 60:sc= 0.454 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 199 N LEU A 18 138.179 5.487 1.556 1.00 0.00 N ATOM 200 CA LEU A 18 139.516 4.914 1.663 1.00 0.00 C ATOM 201 C LEU A 18 140.514 5.950 2.171 1.00 0.00 C ATOM 202 O LEU A 18 140.889 6.873 1.448 1.00 0.00 O ATOM 203 CB LEU A 18 139.972 4.374 0.306 1.00 0.00 C ATOM 204 CG LEU A 18 138.938 3.521 -0.431 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.197 3.545 -1.929 1.00 0.00 C ATOM 206 CD2 LEU A 18 138.957 2.092 0.092 1.00 0.00 C ATOM 0 HA LEU A 18 139.475 4.093 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 18 140.246 5.216 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.873 3.779 0.453 1.00 0.00 H new ATOM 0 HG LEU A 18 137.949 3.942 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.452 2.933 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 18 139.133 4.571 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.192 3.149 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.215 1.499 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 18 139.946 1.661 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.723 2.091 1.157 1.00 0.00 H new ATOM 218 N GLU A 19 140.937 5.792 3.420 1.00 0.00 N ATOM 219 CA GLU A 19 141.892 6.714 4.026 1.00 0.00 C ATOM 220 C GLU A 19 142.828 5.978 4.980 1.00 0.00 C ATOM 221 O GLU A 19 142.700 4.771 5.184 1.00 0.00 O ATOM 222 CB GLU A 19 141.153 7.825 4.774 1.00 0.00 C ATOM 223 CG GLU A 19 140.096 7.312 5.737 1.00 0.00 C ATOM 224 CD GLU A 19 140.078 8.078 7.045 1.00 0.00 C ATOM 225 OE1 GLU A 19 141.056 7.963 7.814 1.00 0.00 O ATOM 226 OE2 GLU A 19 139.086 8.792 7.302 1.00 0.00 O ATOM 0 H GLU A 19 140.634 5.035 4.033 1.00 0.00 H new ATOM 0 HA GLU A 19 142.490 7.156 3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 19 141.877 8.423 5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.681 8.488 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.116 7.382 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.277 6.257 5.941 1.00 0.00 H new ATOM 233 N VAL A 20 143.770 6.715 5.562 1.00 0.00 N ATOM 234 CA VAL A 20 144.726 6.133 6.495 1.00 0.00 C ATOM 235 C VAL A 20 144.014 5.482 7.678 1.00 0.00 C ATOM 236 O VAL A 20 143.052 6.032 8.215 1.00 0.00 O ATOM 237 CB VAL A 20 145.712 7.194 7.023 1.00 0.00 C ATOM 238 CG1 VAL A 20 146.786 6.547 7.885 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.337 7.962 5.868 1.00 0.00 C ATOM 0 H VAL A 20 143.891 7.715 5.403 1.00 0.00 H new ATOM 0 HA VAL A 20 145.281 5.373 5.946 1.00 0.00 H new ATOM 0 HB VAL A 20 145.159 7.899 7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.472 7.313 8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.319 6.047 8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.338 5.817 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.030 8.707 6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.875 7.270 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.554 8.460 5.296 1.00 0.00 H new ATOM 249 N GLY A 21 144.493 4.309 8.077 1.00 0.00 N ATOM 250 CA GLY A 21 143.890 3.603 9.192 1.00 0.00 C ATOM 251 C GLY A 21 142.852 2.592 8.746 1.00 0.00 C ATOM 252 O GLY A 21 142.800 1.477 9.261 1.00 0.00 O ATOM 0 H GLY A 21 145.288 3.835 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 21 144.669 3.093 9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.425 4.323 9.865 1.00 0.00 H new ATOM 256 N SER A 22 142.024 2.985 7.783 1.00 0.00 N ATOM 257 CA SER A 22 140.981 2.106 7.266 1.00 0.00 C ATOM 258 C SER A 22 141.573 1.041 6.348 1.00 0.00 C ATOM 259 O SER A 22 142.497 1.314 5.581 1.00 0.00 O ATOM 260 CB SER A 22 139.928 2.918 6.510 1.00 0.00 C ATOM 261 OG SER A 22 139.576 4.090 7.227 1.00 0.00 O ATOM 0 H SER A 22 142.055 3.906 7.345 1.00 0.00 H new ATOM 0 HA SER A 22 140.508 1.609 8.113 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.311 3.191 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.040 2.307 6.348 1.00 0.00 H new ATOM 0 HG SER A 22 138.903 4.593 6.722 1.00 0.00 H new ATOM 267 N LEU A 23 141.037 -0.171 6.433 1.00 0.00 N ATOM 268 CA LEU A 23 141.513 -1.277 5.610 1.00 0.00 C ATOM 269 C LEU A 23 141.115 -1.081 4.150 1.00 0.00 C ATOM 270 O LEU A 23 140.071 -0.500 3.854 1.00 0.00 O ATOM 271 CB LEU A 23 140.956 -2.603 6.129 1.00 0.00 C ATOM 272 CG LEU A 23 141.330 -2.942 7.574 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.251 -3.798 8.217 1.00 0.00 C ATOM 274 CD2 LEU A 23 142.675 -3.649 7.623 1.00 0.00 C ATOM 0 H LEU A 23 140.273 -0.413 7.063 1.00 0.00 H new ATOM 0 HA LEU A 23 142.601 -1.299 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 23 139.869 -2.580 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.308 -3.406 5.481 1.00 0.00 H new ATOM 0 HG LEU A 23 141.410 -2.012 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 23 140.534 -4.029 9.244 1.00 0.00 H new ATOM 0 HD12 LEU A 23 139.306 -3.255 8.214 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.138 -4.725 7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 23 142.926 -3.883 8.658 1.00 0.00 H new ATOM 0 HD22 LEU A 23 142.622 -4.572 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.443 -3.000 7.201 1.00 0.00 H new ATOM 286 N ALA A 24 141.955 -1.570 3.243 1.00 0.00 N ATOM 287 CA ALA A 24 141.691 -1.451 1.815 1.00 0.00 C ATOM 288 C ALA A 24 142.305 -2.615 1.045 1.00 0.00 C ATOM 289 O ALA A 24 143.292 -3.209 1.480 1.00 0.00 O ATOM 290 CB ALA A 24 142.226 -0.127 1.289 1.00 0.00 C ATOM 0 H ALA A 24 142.824 -2.052 3.473 1.00 0.00 H new ATOM 0 HA ALA A 24 140.612 -1.480 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 24 142.022 -0.051 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.738 0.696 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.302 -0.076 1.458 1.00 0.00 H new ATOM 296 N GLU A 25 141.715 -2.937 -0.102 1.00 0.00 N ATOM 297 CA GLU A 25 142.205 -4.032 -0.932 1.00 0.00 C ATOM 298 C GLU A 25 142.605 -3.530 -2.316 1.00 0.00 C ATOM 299 O GLU A 25 142.089 -2.519 -2.793 1.00 0.00 O ATOM 300 CB GLU A 25 141.136 -5.119 -1.062 1.00 0.00 C ATOM 301 CG GLU A 25 141.708 -6.516 -1.245 1.00 0.00 C ATOM 302 CD GLU A 25 140.729 -7.464 -1.909 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.929 -6.999 -2.749 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.762 -8.671 -1.590 1.00 0.00 O ATOM 0 H GLU A 25 140.898 -2.456 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 25 143.087 -4.453 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.507 -5.107 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.493 -4.885 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.616 -6.457 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 25 141.995 -6.918 -0.273 1.00 0.00 H new ATOM 311 N VAL A 26 143.528 -4.243 -2.954 1.00 0.00 N ATOM 312 CA VAL A 26 143.998 -3.869 -4.282 1.00 0.00 C ATOM 313 C VAL A 26 143.826 -5.020 -5.268 1.00 0.00 C ATOM 314 O VAL A 26 144.136 -6.170 -4.955 1.00 0.00 O ATOM 315 CB VAL A 26 145.480 -3.446 -4.258 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.909 -2.913 -5.616 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.722 -2.410 -3.170 1.00 0.00 C ATOM 0 H VAL A 26 143.965 -5.082 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 26 143.393 -3.022 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 26 146.084 -4.325 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.958 -2.620 -5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.777 -3.689 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.300 -2.047 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.774 -2.123 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.107 -1.531 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.459 -2.833 -2.200 1.00 0.00 H new ATOM 327 N LYS A 27 143.330 -4.704 -6.460 1.00 0.00 N ATOM 328 CA LYS A 27 143.116 -5.712 -7.491 1.00 0.00 C ATOM 329 C LYS A 27 144.437 -6.118 -8.137 1.00 0.00 C ATOM 330 O LYS A 27 144.790 -5.631 -9.211 1.00 0.00 O ATOM 331 CB LYS A 27 142.155 -5.184 -8.558 1.00 0.00 C ATOM 332 CG LYS A 27 140.694 -5.475 -8.257 1.00 0.00 C ATOM 333 CD LYS A 27 139.793 -4.342 -8.722 1.00 0.00 C ATOM 334 CE LYS A 27 138.436 -4.857 -9.172 1.00 0.00 C ATOM 335 NZ LYS A 27 137.427 -4.798 -8.079 1.00 0.00 N ATOM 0 H LYS A 27 143.069 -3.757 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 27 142.677 -6.591 -7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 27 142.290 -4.107 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 27 142.414 -5.626 -9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 27 140.398 -6.402 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 27 140.565 -5.627 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 27 139.661 -3.625 -7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 27 140.272 -3.809 -9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 27 138.087 -4.267 -10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 27 138.535 -5.886 -9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 136.516 -5.158 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 137.747 -5.381 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 137.313 -3.813 -7.765 1.00 0.00 H new ATOM 349 N GLU A 28 145.162 -7.014 -7.475 1.00 0.00 N ATOM 350 CA GLU A 28 146.444 -7.487 -7.986 1.00 0.00 C ATOM 351 C GLU A 28 146.465 -9.010 -8.076 1.00 0.00 C ATOM 352 O GLU A 28 145.504 -9.678 -7.694 1.00 0.00 O ATOM 353 CB GLU A 28 147.585 -6.998 -7.090 1.00 0.00 C ATOM 354 CG GLU A 28 148.729 -6.358 -7.858 1.00 0.00 C ATOM 355 CD GLU A 28 149.850 -5.889 -6.951 1.00 0.00 C ATOM 356 OE1 GLU A 28 150.550 -6.751 -6.378 1.00 0.00 O ATOM 357 OE2 GLU A 28 150.027 -4.661 -6.811 1.00 0.00 O ATOM 0 H GLU A 28 144.884 -7.427 -6.585 1.00 0.00 H new ATOM 0 HA GLU A 28 146.581 -7.082 -8.988 1.00 0.00 H new ATOM 0 HB2 GLU A 28 147.190 -6.277 -6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.970 -7.840 -6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 28 149.125 -7.075 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.349 -5.510 -8.428 1.00 0.00 H new ATOM 364 N ASN A 29 147.568 -9.551 -8.582 1.00 0.00 N ATOM 365 CA ASN A 29 147.716 -10.996 -8.721 1.00 0.00 C ATOM 366 C ASN A 29 147.613 -11.688 -7.363 1.00 0.00 C ATOM 367 O ASN A 29 146.752 -12.543 -7.158 1.00 0.00 O ATOM 368 CB ASN A 29 149.055 -11.331 -9.380 1.00 0.00 C ATOM 369 CG ASN A 29 148.926 -11.543 -10.876 1.00 0.00 C ATOM 370 OD1 ASN A 29 149.065 -12.662 -11.371 1.00 0.00 O ATOM 371 ND2 ASN A 29 148.660 -10.465 -11.605 1.00 0.00 N ATOM 0 H ASN A 29 148.372 -9.012 -8.903 1.00 0.00 H new ATOM 0 HA ASN A 29 146.907 -11.360 -9.354 1.00 0.00 H new ATOM 0 HB2 ASN A 29 149.762 -10.524 -9.190 1.00 0.00 H new ATOM 0 HB3 ASN A 29 149.467 -12.230 -8.923 1.00 0.00 H new ATOM 0 HD21 ASN A 29 148.563 -10.545 -12.617 1.00 0.00 H new ATOM 0 HD22 ASN A 29 148.553 -9.557 -11.153 1.00 0.00 H new ATOM 378 N PRO A 30 148.497 -11.327 -6.416 1.00 0.00 N ATOM 379 CA PRO A 30 148.502 -11.917 -5.076 1.00 0.00 C ATOM 380 C PRO A 30 147.380 -11.368 -4.195 1.00 0.00 C ATOM 381 O PRO A 30 147.416 -10.208 -3.786 1.00 0.00 O ATOM 382 CB PRO A 30 149.865 -11.505 -4.521 1.00 0.00 C ATOM 383 CG PRO A 30 150.175 -10.219 -5.206 1.00 0.00 C ATOM 384 CD PRO A 30 149.559 -10.314 -6.578 1.00 0.00 C ATOM 0 HA PRO A 30 148.341 -12.995 -5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.831 -11.380 -3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.623 -12.259 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.764 -9.374 -4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 30 151.252 -10.063 -5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 30 149.152 -9.356 -6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 30 150.292 -10.618 -7.326 1.00 0.00 H new ATOM 392 N PRO A 31 146.363 -12.196 -3.889 1.00 0.00 N ATOM 393 CA PRO A 31 145.234 -11.777 -3.052 1.00 0.00 C ATOM 394 C PRO A 31 145.642 -11.550 -1.601 1.00 0.00 C ATOM 395 O PRO A 31 145.519 -12.444 -0.764 1.00 0.00 O ATOM 396 CB PRO A 31 144.257 -12.951 -3.155 1.00 0.00 C ATOM 397 CG PRO A 31 145.111 -14.127 -3.484 1.00 0.00 C ATOM 398 CD PRO A 31 146.234 -13.598 -4.331 1.00 0.00 C ATOM 0 HA PRO A 31 144.814 -10.827 -3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.719 -13.102 -2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.509 -12.777 -3.928 1.00 0.00 H new ATOM 0 HG2 PRO A 31 145.493 -14.597 -2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 31 144.541 -14.885 -4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 31 147.156 -14.157 -4.171 1.00 0.00 H new ATOM 0 HD3 PRO A 31 146.002 -13.665 -5.394 1.00 0.00 H new ATOM 406 N PHE A 32 146.130 -10.348 -1.310 1.00 0.00 N ATOM 407 CA PHE A 32 146.557 -10.002 0.040 1.00 0.00 C ATOM 408 C PHE A 32 145.562 -9.052 0.699 1.00 0.00 C ATOM 409 O PHE A 32 144.630 -8.569 0.056 1.00 0.00 O ATOM 410 CB PHE A 32 147.947 -9.364 0.009 1.00 0.00 C ATOM 411 CG PHE A 32 148.016 -8.116 -0.824 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.447 -6.935 -0.374 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.649 -8.124 -2.056 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.508 -5.785 -1.139 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.713 -6.978 -2.825 1.00 0.00 C ATOM 416 CZ PHE A 32 148.143 -5.807 -2.366 1.00 0.00 C ATOM 0 H PHE A 32 146.239 -9.597 -1.992 1.00 0.00 H new ATOM 0 HA PHE A 32 146.599 -10.919 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.252 -9.128 1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.662 -10.090 -0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 32 146.950 -6.913 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.098 -9.037 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 32 147.060 -4.871 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.208 -6.998 -3.784 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.193 -4.910 -2.965 1.00 0.00 H new ATOM 426 N TYR A 33 145.770 -8.785 1.984 1.00 0.00 N ATOM 427 CA TYR A 33 144.892 -7.892 2.731 1.00 0.00 C ATOM 428 C TYR A 33 145.696 -7.001 3.673 1.00 0.00 C ATOM 429 O TYR A 33 146.335 -7.487 4.607 1.00 0.00 O ATOM 430 CB TYR A 33 143.865 -8.699 3.527 1.00 0.00 C ATOM 431 CG TYR A 33 142.662 -9.121 2.712 1.00 0.00 C ATOM 432 CD1 TYR A 33 141.948 -8.193 1.962 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.243 -10.444 2.691 1.00 0.00 C ATOM 434 CE1 TYR A 33 140.848 -8.576 1.217 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.145 -10.833 1.947 1.00 0.00 C ATOM 436 CZ TYR A 33 140.452 -9.896 1.212 1.00 0.00 C ATOM 437 OH TYR A 33 139.358 -10.279 0.469 1.00 0.00 O ATOM 0 H TYR A 33 146.539 -9.174 2.530 1.00 0.00 H new ATOM 0 HA TYR A 33 144.369 -7.257 2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.349 -9.588 3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 33 143.528 -8.105 4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.257 -7.158 1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 33 142.784 -11.182 3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.301 -7.844 0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 33 140.832 -11.867 1.942 1.00 0.00 H new ATOM 0 HH TYR A 33 139.427 -9.902 -0.433 1.00 0.00 H new ATOM 447 N GLY A 34 145.660 -5.697 3.422 1.00 0.00 N ATOM 448 CA GLY A 34 146.389 -4.761 4.257 1.00 0.00 C ATOM 449 C GLY A 34 145.568 -3.537 4.613 1.00 0.00 C ATOM 450 O GLY A 34 144.380 -3.465 4.294 1.00 0.00 O ATOM 0 H GLY A 34 145.139 -5.272 2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 34 146.702 -5.263 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.296 -4.448 3.740 1.00 0.00 H new ATOM 454 N VAL A 35 146.200 -2.573 5.275 1.00 0.00 N ATOM 455 CA VAL A 35 145.520 -1.348 5.674 1.00 0.00 C ATOM 456 C VAL A 35 146.266 -0.117 5.168 1.00 0.00 C ATOM 457 O VAL A 35 147.494 -0.110 5.093 1.00 0.00 O ATOM 458 CB VAL A 35 145.376 -1.261 7.207 1.00 0.00 C ATOM 459 CG1 VAL A 35 146.742 -1.264 7.877 1.00 0.00 C ATOM 460 CG2 VAL A 35 144.581 -0.024 7.601 1.00 0.00 C ATOM 0 H VAL A 35 147.182 -2.617 5.546 1.00 0.00 H new ATOM 0 HA VAL A 35 144.526 -1.374 5.226 1.00 0.00 H new ATOM 0 HB VAL A 35 144.830 -2.139 7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 35 146.617 -1.202 8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.269 -2.184 7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.320 -0.408 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 35 144.490 0.020 8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.095 0.868 7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 35 143.587 -0.073 7.155 1.00 0.00 H new ATOM 470 N ILE A 36 145.515 0.923 4.822 1.00 0.00 N ATOM 471 CA ILE A 36 146.105 2.160 4.324 1.00 0.00 C ATOM 472 C ILE A 36 147.035 2.779 5.362 1.00 0.00 C ATOM 473 O ILE A 36 146.862 2.574 6.564 1.00 0.00 O ATOM 474 CB ILE A 36 145.023 3.188 3.939 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.010 2.562 2.977 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.660 4.422 3.315 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.915 3.515 2.548 1.00 0.00 C ATOM 0 H ILE A 36 144.497 0.934 4.877 1.00 0.00 H new ATOM 0 HA ILE A 36 146.678 1.901 3.433 1.00 0.00 H new ATOM 0 HB ILE A 36 144.497 3.492 4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.535 2.203 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.558 1.692 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.882 5.138 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.345 4.879 4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.210 4.134 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.234 3.004 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.364 3.855 3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.357 4.373 2.042 1.00 0.00 H new ATOM 489 N ARG A 37 148.020 3.537 4.891 1.00 0.00 N ATOM 490 CA ARG A 37 148.977 4.184 5.780 1.00 0.00 C ATOM 491 C ARG A 37 149.216 5.631 5.364 1.00 0.00 C ATOM 492 O ARG A 37 148.844 6.563 6.078 1.00 0.00 O ATOM 493 CB ARG A 37 150.300 3.418 5.782 1.00 0.00 C ATOM 494 CG ARG A 37 150.144 1.935 6.077 1.00 0.00 C ATOM 495 CD ARG A 37 150.115 1.667 7.572 1.00 0.00 C ATOM 496 NE ARG A 37 148.908 2.196 8.201 1.00 0.00 N ATOM 497 CZ ARG A 37 148.788 2.420 9.508 1.00 0.00 C ATOM 498 NH1 ARG A 37 149.800 2.159 10.327 1.00 0.00 N ATOM 499 NH2 ARG A 37 147.654 2.904 9.997 1.00 0.00 N ATOM 0 H ARG A 37 148.176 3.718 3.899 1.00 0.00 H new ATOM 0 HA ARG A 37 148.559 4.179 6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 37 150.781 3.538 4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 37 150.965 3.860 6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.224 1.567 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 37 150.967 1.384 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 37 150.175 0.593 7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 37 150.992 2.116 8.038 1.00 0.00 H new ATOM 0 HE ARG A 37 148.109 2.407 7.603 1.00 0.00 H new ATOM 0 HH11 ARG A 37 150.673 1.785 9.956 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.704 2.332 11.328 1.00 0.00 H new ATOM 0 HH21 ARG A 37 146.874 3.105 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 37 147.562 3.075 10.998 1.00 0.00 H new ATOM 513 N TRP A 38 149.841 5.814 4.206 1.00 0.00 N ATOM 514 CA TRP A 38 150.132 7.149 3.697 1.00 0.00 C ATOM 515 C TRP A 38 149.473 7.373 2.337 1.00 0.00 C ATOM 516 O TRP A 38 149.599 6.550 1.431 1.00 0.00 O ATOM 517 CB TRP A 38 151.647 7.361 3.589 1.00 0.00 C ATOM 518 CG TRP A 38 152.027 8.592 2.820 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.264 9.837 3.329 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.208 8.696 1.403 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.581 10.708 2.314 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.554 10.031 1.123 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.112 7.789 0.344 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.803 10.479 -0.172 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.360 8.234 -0.940 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.702 9.569 -1.189 1.00 0.00 C ATOM 0 H TRP A 38 150.156 5.055 3.602 1.00 0.00 H new ATOM 0 HA TRP A 38 149.722 7.874 4.400 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.069 7.424 4.592 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.094 6.490 3.109 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.210 10.099 4.375 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.801 11.697 2.429 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.848 6.758 0.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 153.066 11.508 -0.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.289 7.541 -1.765 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.890 9.887 -2.204 1.00 0.00 H new ATOM 537 N ILE A 39 148.781 8.499 2.204 1.00 0.00 N ATOM 538 CA ILE A 39 148.111 8.845 0.957 1.00 0.00 C ATOM 539 C ILE A 39 148.616 10.185 0.433 1.00 0.00 C ATOM 540 O ILE A 39 148.281 11.239 0.974 1.00 0.00 O ATOM 541 CB ILE A 39 146.583 8.917 1.137 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.066 7.647 1.816 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.898 9.121 -0.206 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.781 7.854 2.588 1.00 0.00 C ATOM 0 H ILE A 39 148.670 9.189 2.947 1.00 0.00 H new ATOM 0 HA ILE A 39 148.341 8.059 0.238 1.00 0.00 H new ATOM 0 HB ILE A 39 146.349 9.769 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 39 145.906 6.880 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.831 7.270 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.819 9.170 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.246 10.052 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.138 8.288 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.474 6.912 3.042 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.941 8.598 3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.001 8.201 1.910 1.00 0.00 H new ATOM 556 N GLY A 40 149.429 10.140 -0.617 1.00 0.00 N ATOM 557 CA GLY A 40 149.970 11.360 -1.185 1.00 0.00 C ATOM 558 C GLY A 40 150.570 11.152 -2.561 1.00 0.00 C ATOM 559 O GLY A 40 150.382 10.103 -3.177 1.00 0.00 O ATOM 0 H GLY A 40 149.722 9.282 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 40 149.179 12.108 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.734 11.759 -0.517 1.00 0.00 H new ATOM 563 N GLN A 41 151.290 12.159 -3.044 1.00 0.00 N ATOM 564 CA GLN A 41 151.919 12.094 -4.355 1.00 0.00 C ATOM 565 C GLN A 41 153.396 12.478 -4.267 1.00 0.00 C ATOM 566 O GLN A 41 153.728 13.616 -3.935 1.00 0.00 O ATOM 567 CB GLN A 41 151.195 13.024 -5.325 1.00 0.00 C ATOM 568 CG GLN A 41 149.683 12.862 -5.309 1.00 0.00 C ATOM 569 CD GLN A 41 148.955 14.188 -5.405 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.905 14.953 -4.443 1.00 0.00 O ATOM 571 NE2 GLN A 41 148.387 14.464 -6.571 1.00 0.00 N ATOM 0 H GLN A 41 151.452 13.033 -2.543 1.00 0.00 H new ATOM 0 HA GLN A 41 151.851 11.069 -4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 41 151.444 14.056 -5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.561 12.839 -6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 41 149.381 12.224 -6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 41 149.385 12.353 -4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.455 13.799 -7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.883 15.341 -6.698 1.00 0.00 H new ATOM 580 N PRO A 42 154.309 11.532 -4.559 1.00 0.00 N ATOM 581 CA PRO A 42 155.752 11.787 -4.505 1.00 0.00 C ATOM 582 C PRO A 42 156.172 12.938 -5.414 1.00 0.00 C ATOM 583 O PRO A 42 155.454 13.294 -6.350 1.00 0.00 O ATOM 584 CB PRO A 42 156.371 10.471 -4.989 1.00 0.00 C ATOM 585 CG PRO A 42 155.320 9.444 -4.752 1.00 0.00 C ATOM 586 CD PRO A 42 154.010 10.147 -4.961 1.00 0.00 C ATOM 0 HA PRO A 42 156.073 12.080 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.640 10.525 -6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 42 157.283 10.237 -4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 42 155.429 8.606 -5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 42 155.390 9.038 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.683 10.090 -5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 42 153.217 9.712 -4.352 1.00 0.00 H new ATOM 594 N PRO A 43 157.345 13.537 -5.151 1.00 0.00 N ATOM 595 CA PRO A 43 157.858 14.653 -5.950 1.00 0.00 C ATOM 596 C PRO A 43 158.331 14.206 -7.328 1.00 0.00 C ATOM 597 O PRO A 43 159.507 13.894 -7.520 1.00 0.00 O ATOM 598 CB PRO A 43 159.035 15.169 -5.124 1.00 0.00 C ATOM 599 CG PRO A 43 159.493 13.989 -4.340 1.00 0.00 C ATOM 600 CD PRO A 43 158.261 13.173 -4.054 1.00 0.00 C ATOM 0 HA PRO A 43 157.092 15.405 -6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.830 15.552 -5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.731 15.986 -4.469 1.00 0.00 H new ATOM 0 HG2 PRO A 43 160.224 13.407 -4.902 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.978 14.300 -3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.479 12.105 -4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.837 13.415 -3.080 1.00 0.00 H new ATOM 608 N GLY A 44 157.411 14.178 -8.286 1.00 0.00 N ATOM 609 CA GLY A 44 157.758 13.769 -9.633 1.00 0.00 C ATOM 610 C GLY A 44 156.560 13.280 -10.418 1.00 0.00 C ATOM 611 O GLY A 44 156.327 13.716 -11.546 1.00 0.00 O ATOM 0 H GLY A 44 156.432 14.431 -8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 44 158.214 14.608 -10.158 1.00 0.00 H new ATOM 0 HA3 GLY A 44 158.506 12.977 -9.587 1.00 0.00 H new ATOM 615 N LEU A 45 155.794 12.370 -9.824 1.00 0.00 N ATOM 616 CA LEU A 45 154.613 11.822 -10.479 1.00 0.00 C ATOM 617 C LEU A 45 153.363 12.082 -9.648 1.00 0.00 C ATOM 618 O LEU A 45 153.203 11.525 -8.562 1.00 0.00 O ATOM 619 CB LEU A 45 154.783 10.318 -10.708 1.00 0.00 C ATOM 620 CG LEU A 45 155.251 9.525 -9.486 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.856 8.060 -9.614 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.757 9.664 -9.304 1.00 0.00 C ATOM 0 H LEU A 45 155.970 11.997 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 45 154.498 12.319 -11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.831 9.908 -11.046 1.00 0.00 H new ATOM 0 HB3 LEU A 45 155.499 10.168 -11.516 1.00 0.00 H new ATOM 0 HG LEU A 45 154.761 9.933 -8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 45 155.198 7.513 -8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.772 7.981 -9.692 1.00 0.00 H new ATOM 0 HD13 LEU A 45 155.316 7.636 -10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 45 157.072 9.094 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 45 157.267 9.284 -10.189 1.00 0.00 H new ATOM 0 HD23 LEU A 45 157.011 10.714 -9.162 1.00 0.00 H new ATOM 634 N ASN A 46 152.477 12.930 -10.162 1.00 0.00 N ATOM 635 CA ASN A 46 151.245 13.251 -9.454 1.00 0.00 C ATOM 636 C ASN A 46 150.273 12.078 -9.511 1.00 0.00 C ATOM 637 O ASN A 46 149.690 11.790 -10.556 1.00 0.00 O ATOM 638 CB ASN A 46 150.597 14.498 -10.061 1.00 0.00 C ATOM 639 CG ASN A 46 149.341 14.917 -9.325 1.00 0.00 C ATOM 640 OD1 ASN A 46 149.358 15.856 -8.529 1.00 0.00 O ATOM 641 ND2 ASN A 46 148.241 14.221 -9.587 1.00 0.00 N ATOM 0 H ASN A 46 152.589 13.403 -11.059 1.00 0.00 H new ATOM 0 HA ASN A 46 151.489 13.450 -8.410 1.00 0.00 H new ATOM 0 HB2 ASN A 46 151.314 15.319 -10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 46 150.354 14.305 -11.106 1.00 0.00 H new ATOM 0 HD21 ASN A 46 147.365 14.457 -9.121 1.00 0.00 H new ATOM 0 HD22 ASN A 46 148.272 13.450 -10.254 1.00 0.00 H new ATOM 648 N GLU A 47 150.105 11.406 -8.378 1.00 0.00 N ATOM 649 CA GLU A 47 149.205 10.262 -8.289 1.00 0.00 C ATOM 650 C GLU A 47 148.956 9.884 -6.833 1.00 0.00 C ATOM 651 O GLU A 47 149.896 9.621 -6.083 1.00 0.00 O ATOM 652 CB GLU A 47 149.782 9.066 -9.049 1.00 0.00 C ATOM 653 CG GLU A 47 151.289 8.916 -8.907 1.00 0.00 C ATOM 654 CD GLU A 47 151.881 7.979 -9.941 1.00 0.00 C ATOM 655 OE1 GLU A 47 152.122 8.429 -11.081 1.00 0.00 O ATOM 656 OE2 GLU A 47 152.104 6.795 -9.612 1.00 0.00 O ATOM 0 H GLU A 47 150.582 11.634 -7.506 1.00 0.00 H new ATOM 0 HA GLU A 47 148.255 10.542 -8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 47 149.301 8.155 -8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 47 149.534 9.165 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.758 9.896 -8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 47 151.521 8.544 -7.909 1.00 0.00 H new ATOM 663 N VAL A 48 147.688 9.850 -6.439 1.00 0.00 N ATOM 664 CA VAL A 48 147.331 9.494 -5.072 1.00 0.00 C ATOM 665 C VAL A 48 147.655 8.030 -4.795 1.00 0.00 C ATOM 666 O VAL A 48 146.912 7.133 -5.191 1.00 0.00 O ATOM 667 CB VAL A 48 145.835 9.739 -4.796 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.527 9.554 -3.319 1.00 0.00 C ATOM 669 CG2 VAL A 48 145.427 11.128 -5.265 1.00 0.00 C ATOM 0 H VAL A 48 146.895 10.063 -7.043 1.00 0.00 H new ATOM 0 HA VAL A 48 147.919 10.131 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 48 145.255 9.006 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.466 9.731 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.779 8.537 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 48 146.115 10.261 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 48 144.367 11.284 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 48 146.012 11.878 -4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.609 11.218 -6.336 1.00 0.00 H new ATOM 679 N LEU A 49 148.771 7.795 -4.114 1.00 0.00 N ATOM 680 CA LEU A 49 149.196 6.439 -3.787 1.00 0.00 C ATOM 681 C LEU A 49 149.018 6.158 -2.301 1.00 0.00 C ATOM 682 O LEU A 49 149.659 6.789 -1.460 1.00 0.00 O ATOM 683 CB LEU A 49 150.657 6.228 -4.185 1.00 0.00 C ATOM 684 CG LEU A 49 150.989 6.568 -5.640 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.472 6.871 -5.792 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.580 5.427 -6.559 1.00 0.00 C ATOM 0 H LEU A 49 149.398 8.526 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 49 148.571 5.745 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 49 151.286 6.835 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.920 5.186 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 49 150.426 7.457 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.690 7.111 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.736 7.720 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 49 153.054 6.000 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.823 5.685 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 49 151.116 4.521 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.507 5.256 -6.471 1.00 0.00 H new ATOM 698 N ALA A 50 148.145 5.210 -1.983 1.00 0.00 N ATOM 699 CA ALA A 50 147.887 4.849 -0.596 1.00 0.00 C ATOM 700 C ALA A 50 148.794 3.707 -0.151 1.00 0.00 C ATOM 701 O ALA A 50 148.698 2.591 -0.660 1.00 0.00 O ATOM 702 CB ALA A 50 146.426 4.471 -0.412 1.00 0.00 C ATOM 0 H ALA A 50 147.605 4.679 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 50 148.105 5.716 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.248 4.203 0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.794 5.317 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.187 3.621 -1.051 1.00 0.00 H new ATOM 708 N GLY A 51 149.675 3.995 0.801 1.00 0.00 N ATOM 709 CA GLY A 51 150.587 2.981 1.299 1.00 0.00 C ATOM 710 C GLY A 51 149.892 1.946 2.160 1.00 0.00 C ATOM 711 O GLY A 51 149.589 2.200 3.325 1.00 0.00 O ATOM 0 H GLY A 51 149.774 4.912 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.067 2.484 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.376 3.460 1.879 1.00 0.00 H new ATOM 715 N LEU A 52 149.638 0.775 1.585 1.00 0.00 N ATOM 716 CA LEU A 52 148.973 -0.303 2.309 1.00 0.00 C ATOM 717 C LEU A 52 149.989 -1.169 3.048 1.00 0.00 C ATOM 718 O LEU A 52 151.096 -1.398 2.561 1.00 0.00 O ATOM 719 CB LEU A 52 148.157 -1.166 1.345 1.00 0.00 C ATOM 720 CG LEU A 52 146.971 -0.456 0.688 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.473 -1.249 -0.511 1.00 0.00 C ATOM 722 CD2 LEU A 52 145.850 -0.249 1.695 1.00 0.00 C ATOM 0 H LEU A 52 149.882 0.548 0.621 1.00 0.00 H new ATOM 0 HA LEU A 52 148.302 0.145 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.819 -1.535 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.786 -2.037 1.886 1.00 0.00 H new ATOM 0 HG LEU A 52 147.304 0.521 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.630 -0.730 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.276 -1.347 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.156 -2.240 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.015 0.257 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.518 -1.216 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.213 0.360 2.523 1.00 0.00 H new ATOM 734 N GLU A 53 149.603 -1.646 4.227 1.00 0.00 N ATOM 735 CA GLU A 53 150.479 -2.487 5.035 1.00 0.00 C ATOM 736 C GLU A 53 149.945 -3.914 5.110 1.00 0.00 C ATOM 737 O GLU A 53 148.905 -4.167 5.719 1.00 0.00 O ATOM 738 CB GLU A 53 150.619 -1.908 6.444 1.00 0.00 C ATOM 739 CG GLU A 53 151.548 -2.709 7.342 1.00 0.00 C ATOM 740 CD GLU A 53 151.003 -2.872 8.747 1.00 0.00 C ATOM 741 OE1 GLU A 53 151.176 -1.940 9.563 1.00 0.00 O ATOM 742 OE2 GLU A 53 150.405 -3.929 9.034 1.00 0.00 O ATOM 0 H GLU A 53 148.690 -1.465 4.644 1.00 0.00 H new ATOM 0 HA GLU A 53 151.460 -2.509 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 53 150.989 -0.885 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 53 149.633 -1.858 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 53 151.712 -3.693 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 53 152.518 -2.215 7.388 1.00 0.00 H new ATOM 749 N LEU A 54 150.663 -4.842 4.488 1.00 0.00 N ATOM 750 CA LEU A 54 150.262 -6.244 4.484 1.00 0.00 C ATOM 751 C LEU A 54 150.392 -6.851 5.878 1.00 0.00 C ATOM 752 O LEU A 54 151.214 -6.411 6.682 1.00 0.00 O ATOM 753 CB LEU A 54 151.110 -7.037 3.488 1.00 0.00 C ATOM 754 CG LEU A 54 151.206 -6.425 2.090 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.397 -6.999 1.338 1.00 0.00 C ATOM 756 CD2 LEU A 54 149.919 -6.664 1.315 1.00 0.00 C ATOM 0 H LEU A 54 151.526 -4.649 3.980 1.00 0.00 H new ATOM 0 HA LEU A 54 149.216 -6.296 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.117 -7.141 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 54 150.696 -8.042 3.401 1.00 0.00 H new ATOM 0 HG LEU A 54 151.351 -5.350 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.450 -6.552 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.314 -6.778 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.282 -8.079 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 54 150.005 -6.222 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.745 -7.736 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.084 -6.206 1.846 1.00 0.00 H new ATOM 768 N GLU A 55 149.577 -7.864 6.156 1.00 0.00 N ATOM 769 CA GLU A 55 149.603 -8.531 7.451 1.00 0.00 C ATOM 770 C GLU A 55 150.652 -9.638 7.472 1.00 0.00 C ATOM 771 O GLU A 55 151.247 -9.925 8.511 1.00 0.00 O ATOM 772 CB GLU A 55 148.225 -9.112 7.777 1.00 0.00 C ATOM 773 CG GLU A 55 147.239 -8.081 8.300 1.00 0.00 C ATOM 774 CD GLU A 55 147.170 -8.058 9.815 1.00 0.00 C ATOM 775 OE1 GLU A 55 148.091 -7.495 10.444 1.00 0.00 O ATOM 776 OE2 GLU A 55 146.195 -8.603 10.374 1.00 0.00 O ATOM 0 H GLU A 55 148.891 -8.240 5.501 1.00 0.00 H new ATOM 0 HA GLU A 55 149.866 -7.791 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 55 147.813 -9.574 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.339 -9.902 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.525 -7.093 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 55 146.249 -8.294 7.898 1.00 0.00 H new ATOM 783 N ASP A 56 150.874 -10.258 6.317 1.00 0.00 N ATOM 784 CA ASP A 56 151.851 -11.333 6.202 1.00 0.00 C ATOM 785 C ASP A 56 153.173 -10.811 5.649 1.00 0.00 C ATOM 786 O ASP A 56 153.208 -10.169 4.599 1.00 0.00 O ATOM 787 CB ASP A 56 151.313 -12.446 5.301 1.00 0.00 C ATOM 788 CG ASP A 56 150.352 -13.365 6.029 1.00 0.00 C ATOM 789 OD1 ASP A 56 150.715 -13.864 7.114 1.00 0.00 O ATOM 790 OD2 ASP A 56 149.236 -13.588 5.512 1.00 0.00 O ATOM 0 H ASP A 56 150.390 -10.034 5.448 1.00 0.00 H new ATOM 0 HA ASP A 56 152.029 -11.736 7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.808 -12.003 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.147 -13.031 4.913 1.00 0.00 H new ATOM 795 N GLU A 57 154.259 -11.088 6.363 1.00 0.00 N ATOM 796 CA GLU A 57 155.584 -10.645 5.943 1.00 0.00 C ATOM 797 C GLU A 57 156.033 -11.387 4.689 1.00 0.00 C ATOM 798 O GLU A 57 156.555 -12.499 4.766 1.00 0.00 O ATOM 799 CB GLU A 57 156.597 -10.862 7.068 1.00 0.00 C ATOM 800 CG GLU A 57 156.634 -9.728 8.079 1.00 0.00 C ATOM 801 CD GLU A 57 157.934 -9.686 8.859 1.00 0.00 C ATOM 802 OE1 GLU A 57 158.886 -9.025 8.391 1.00 0.00 O ATOM 803 OE2 GLU A 57 158.001 -10.312 9.938 1.00 0.00 O ATOM 0 H GLU A 57 154.248 -11.617 7.235 1.00 0.00 H new ATOM 0 HA GLU A 57 155.529 -9.581 5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 57 156.360 -11.792 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 57 157.589 -10.983 6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 57 156.494 -8.779 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 57 155.801 -9.838 8.773 1.00 0.00 H new ATOM 810 N CYS A 58 155.825 -10.764 3.533 1.00 0.00 N ATOM 811 CA CYS A 58 156.210 -11.364 2.261 1.00 0.00 C ATOM 812 C CYS A 58 157.455 -10.689 1.695 1.00 0.00 C ATOM 813 O CYS A 58 157.512 -9.465 1.580 1.00 0.00 O ATOM 814 CB CYS A 58 155.060 -11.263 1.258 1.00 0.00 C ATOM 815 SG CYS A 58 155.200 -12.400 -0.142 1.00 0.00 S ATOM 0 H CYS A 58 155.392 -9.844 3.451 1.00 0.00 H new ATOM 0 HA CYS A 58 156.438 -12.415 2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.121 -11.456 1.777 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.011 -10.242 0.880 1.00 0.00 H new ATOM 0 HG CYS A 58 154.181 -12.242 -0.933 1.00 0.00 H new ATOM 821 N ALA A 59 158.450 -11.497 1.343 1.00 0.00 N ATOM 822 CA ALA A 59 159.695 -10.978 0.787 1.00 0.00 C ATOM 823 C ALA A 59 159.453 -10.283 -0.548 1.00 0.00 C ATOM 824 O ALA A 59 158.956 -10.893 -1.495 1.00 0.00 O ATOM 825 CB ALA A 59 160.709 -12.100 0.625 1.00 0.00 C ATOM 0 H ALA A 59 158.419 -12.513 1.433 1.00 0.00 H new ATOM 0 HA ALA A 59 160.095 -10.240 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.633 -11.698 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.914 -12.549 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.308 -12.858 -0.048 1.00 0.00 H new ATOM 831 N GLY A 60 159.808 -9.005 -0.618 1.00 0.00 N ATOM 832 CA GLY A 60 159.622 -8.249 -1.842 1.00 0.00 C ATOM 833 C GLY A 60 159.105 -6.847 -1.587 1.00 0.00 C ATOM 834 O GLY A 60 159.364 -5.931 -2.367 1.00 0.00 O ATOM 0 H GLY A 60 160.222 -8.479 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 60 160.570 -8.191 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 60 158.923 -8.778 -2.489 1.00 0.00 H new ATOM 838 N CYS A 61 158.372 -6.679 -0.491 1.00 0.00 N ATOM 839 CA CYS A 61 157.818 -5.378 -0.135 1.00 0.00 C ATOM 840 C CYS A 61 158.817 -4.564 0.680 1.00 0.00 C ATOM 841 O CYS A 61 159.828 -5.091 1.147 1.00 0.00 O ATOM 842 CB CYS A 61 156.519 -5.553 0.656 1.00 0.00 C ATOM 843 SG CYS A 61 155.273 -6.557 -0.185 1.00 0.00 S ATOM 0 H CYS A 61 158.148 -7.427 0.165 1.00 0.00 H new ATOM 0 HA CYS A 61 157.605 -4.838 -1.057 1.00 0.00 H new ATOM 0 HB2 CYS A 61 156.751 -6.011 1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.098 -4.570 0.864 1.00 0.00 H new ATOM 0 HG CYS A 61 154.990 -7.597 0.542 1.00 0.00 H new ATOM 849 N THR A 62 158.529 -3.278 0.848 1.00 0.00 N ATOM 850 CA THR A 62 159.402 -2.391 1.608 1.00 0.00 C ATOM 851 C THR A 62 158.917 -2.249 3.047 1.00 0.00 C ATOM 852 O THR A 62 157.942 -2.885 3.448 1.00 0.00 O ATOM 853 CB THR A 62 159.471 -1.016 0.942 1.00 0.00 C ATOM 854 OG1 THR A 62 158.253 -0.718 0.283 1.00 0.00 O ATOM 855 CG2 THR A 62 160.584 -0.898 -0.076 1.00 0.00 C ATOM 0 H THR A 62 157.697 -2.826 0.468 1.00 0.00 H new ATOM 0 HA THR A 62 160.399 -2.830 1.623 1.00 0.00 H new ATOM 0 HB THR A 62 159.666 -0.312 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.270 0.210 -0.031 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.576 0.102 -0.510 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.543 -1.074 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 62 160.436 -1.636 -0.864 1.00 0.00 H new ATOM 863 N ASP A 63 159.602 -1.412 3.818 1.00 0.00 N ATOM 864 CA ASP A 63 159.240 -1.185 5.212 1.00 0.00 C ATOM 865 C ASP A 63 158.612 0.192 5.394 1.00 0.00 C ATOM 866 O ASP A 63 158.751 0.814 6.448 1.00 0.00 O ATOM 867 CB ASP A 63 160.473 -1.319 6.108 1.00 0.00 C ATOM 868 CG ASP A 63 161.586 -0.372 5.706 1.00 0.00 C ATOM 869 OD1 ASP A 63 162.107 -0.513 4.580 1.00 0.00 O ATOM 870 OD2 ASP A 63 161.935 0.512 6.517 1.00 0.00 O ATOM 0 H ASP A 63 160.412 -0.879 3.501 1.00 0.00 H new ATOM 0 HA ASP A 63 158.507 -1.939 5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.190 -1.124 7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 63 160.840 -2.345 6.066 1.00 0.00 H new ATOM 875 N GLY A 64 157.919 0.662 4.363 1.00 0.00 N ATOM 876 CA GLY A 64 157.278 1.963 4.429 1.00 0.00 C ATOM 877 C GLY A 64 158.053 3.031 3.681 1.00 0.00 C ATOM 878 O GLY A 64 158.129 4.177 4.125 1.00 0.00 O ATOM 0 H GLY A 64 157.789 0.165 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.273 1.891 4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.172 2.260 5.472 1.00 0.00 H new ATOM 882 N THR A 65 158.628 2.654 2.544 1.00 0.00 N ATOM 883 CA THR A 65 159.401 3.587 1.733 1.00 0.00 C ATOM 884 C THR A 65 159.066 3.428 0.253 1.00 0.00 C ATOM 885 O THR A 65 159.267 2.360 -0.328 1.00 0.00 O ATOM 886 CB THR A 65 160.898 3.371 1.955 1.00 0.00 C ATOM 887 OG1 THR A 65 161.198 1.990 2.046 1.00 0.00 O ATOM 888 CG2 THR A 65 161.419 4.037 3.210 1.00 0.00 C ATOM 0 H THR A 65 158.573 1.709 2.163 1.00 0.00 H new ATOM 0 HA THR A 65 159.139 4.599 2.040 1.00 0.00 H new ATOM 0 HB THR A 65 161.386 3.825 1.092 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.161 1.873 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.487 3.844 3.307 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.248 5.112 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.897 3.635 4.079 1.00 0.00 H new ATOM 896 N PHE A 66 158.556 4.496 -0.352 1.00 0.00 N ATOM 897 CA PHE A 66 158.193 4.473 -1.764 1.00 0.00 C ATOM 898 C PHE A 66 159.281 5.122 -2.615 1.00 0.00 C ATOM 899 O PHE A 66 159.440 6.343 -2.613 1.00 0.00 O ATOM 900 CB PHE A 66 156.862 5.195 -1.982 1.00 0.00 C ATOM 901 CG PHE A 66 156.296 5.008 -3.360 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.867 3.760 -3.784 1.00 0.00 C ATOM 903 CD2 PHE A 66 156.194 6.080 -4.233 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.346 3.585 -5.052 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.674 5.910 -5.502 1.00 0.00 C ATOM 906 CZ PHE A 66 155.249 4.662 -5.912 1.00 0.00 C ATOM 0 H PHE A 66 158.385 5.387 0.113 1.00 0.00 H new ATOM 0 HA PHE A 66 158.088 3.432 -2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.139 4.836 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 66 157.001 6.260 -1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 66 155.941 2.915 -3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 66 156.525 7.059 -3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.015 2.607 -5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 66 155.600 6.753 -6.173 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.841 4.528 -6.903 1.00 0.00 H new ATOM 916 N ARG A 67 160.027 4.296 -3.341 1.00 0.00 N ATOM 917 CA ARG A 67 161.100 4.789 -4.198 1.00 0.00 C ATOM 918 C ARG A 67 162.157 5.521 -3.378 1.00 0.00 C ATOM 919 O ARG A 67 162.675 6.557 -3.798 1.00 0.00 O ATOM 920 CB ARG A 67 160.534 5.719 -5.274 1.00 0.00 C ATOM 921 CG ARG A 67 159.459 5.073 -6.133 1.00 0.00 C ATOM 922 CD ARG A 67 159.356 5.744 -7.493 1.00 0.00 C ATOM 923 NE ARG A 67 159.127 4.777 -8.564 1.00 0.00 N ATOM 924 CZ ARG A 67 159.155 5.084 -9.859 1.00 0.00 C ATOM 925 NH1 ARG A 67 159.400 6.331 -10.247 1.00 0.00 N ATOM 926 NH2 ARG A 67 158.938 4.145 -10.769 1.00 0.00 N ATOM 0 H ARG A 67 159.909 3.283 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 67 161.571 3.932 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 67 160.120 6.606 -4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 67 161.348 6.055 -5.917 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.684 4.015 -6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.498 5.134 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 67 158.542 6.469 -7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 67 160.273 6.298 -7.694 1.00 0.00 H new ATOM 0 HE ARG A 67 158.934 3.810 -8.304 1.00 0.00 H new ATOM 0 HH11 ARG A 67 159.568 7.058 -9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 67 159.420 6.561 -11.240 1.00 0.00 H new ATOM 0 HH21 ARG A 67 158.749 3.186 -10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 67 158.960 4.381 -11.761 1.00 0.00 H new ATOM 940 N GLY A 68 162.473 4.977 -2.208 1.00 0.00 N ATOM 941 CA GLY A 68 163.468 5.592 -1.349 1.00 0.00 C ATOM 942 C GLY A 68 162.935 6.814 -0.627 1.00 0.00 C ATOM 943 O GLY A 68 163.691 7.728 -0.297 1.00 0.00 O ATOM 0 H GLY A 68 162.058 4.121 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.812 4.862 -0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.334 5.876 -1.947 1.00 0.00 H new ATOM 947 N THR A 69 161.629 6.830 -0.382 1.00 0.00 N ATOM 948 CA THR A 69 160.994 7.950 0.305 1.00 0.00 C ATOM 949 C THR A 69 160.067 7.454 1.411 1.00 0.00 C ATOM 950 O THR A 69 158.900 7.147 1.164 1.00 0.00 O ATOM 951 CB THR A 69 160.209 8.807 -0.689 1.00 0.00 C ATOM 952 OG1 THR A 69 160.975 9.048 -1.855 1.00 0.00 O ATOM 953 CG2 THR A 69 159.796 10.148 -0.125 1.00 0.00 C ATOM 0 H THR A 69 160.990 6.081 -0.648 1.00 0.00 H new ATOM 0 HA THR A 69 161.777 8.558 0.757 1.00 0.00 H new ATOM 0 HB THR A 69 159.310 8.235 -0.918 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.456 9.596 -2.480 1.00 0.00 H new ATOM 0 HG21 THR A 69 159.243 10.706 -0.881 1.00 0.00 H new ATOM 0 HG22 THR A 69 159.163 9.996 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.684 10.710 0.164 1.00 0.00 H new ATOM 961 N ARG A 70 160.593 7.377 2.629 1.00 0.00 N ATOM 962 CA ARG A 70 159.811 6.918 3.771 1.00 0.00 C ATOM 963 C ARG A 70 158.618 7.835 4.018 1.00 0.00 C ATOM 964 O ARG A 70 158.749 9.059 4.005 1.00 0.00 O ATOM 965 CB ARG A 70 160.689 6.855 5.023 1.00 0.00 C ATOM 966 CG ARG A 70 159.948 6.370 6.260 1.00 0.00 C ATOM 967 CD ARG A 70 160.069 7.358 7.410 1.00 0.00 C ATOM 968 NE ARG A 70 160.228 6.685 8.697 1.00 0.00 N ATOM 969 CZ ARG A 70 161.380 6.178 9.131 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.475 6.264 8.385 1.00 0.00 N ATOM 971 NH2 ARG A 70 161.437 5.582 10.315 1.00 0.00 N ATOM 0 H ARG A 70 161.557 7.626 2.850 1.00 0.00 H new ATOM 0 HA ARG A 70 159.437 5.919 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.533 6.193 4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.099 7.846 5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 70 158.896 6.219 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.346 5.403 6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.922 8.014 7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 70 159.182 7.991 7.439 1.00 0.00 H new ATOM 0 HE ARG A 70 159.409 6.599 9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 70 162.437 6.721 7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 70 163.355 5.874 8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 70 160.599 5.513 10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 70 162.319 5.193 10.648 1.00 0.00 H new ATOM 985 N TYR A 71 157.454 7.233 4.243 1.00 0.00 N ATOM 986 CA TYR A 71 156.236 7.995 4.494 1.00 0.00 C ATOM 987 C TYR A 71 155.691 7.705 5.889 1.00 0.00 C ATOM 988 O TYR A 71 155.213 8.606 6.578 1.00 0.00 O ATOM 989 CB TYR A 71 155.177 7.661 3.442 1.00 0.00 C ATOM 990 CG TYR A 71 155.365 8.402 2.137 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.540 9.780 2.117 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.369 7.722 0.925 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.713 10.460 0.926 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.542 8.396 -0.270 1.00 0.00 C ATOM 995 CZ TYR A 71 155.713 9.764 -0.263 1.00 0.00 C ATOM 996 OH TYR A 71 155.885 10.437 -1.451 1.00 0.00 O ATOM 0 H TYR A 71 157.329 6.221 4.257 1.00 0.00 H new ATOM 0 HA TYR A 71 156.480 9.055 4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.196 6.589 3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.191 7.895 3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.541 10.329 3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.235 6.650 0.916 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.848 11.532 0.928 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.543 7.854 -1.204 1.00 0.00 H new ATOM 0 HH TYR A 71 155.025 10.506 -1.915 1.00 0.00 H new ATOM 1006 N PHE A 72 155.770 6.445 6.299 1.00 0.00 N ATOM 1007 CA PHE A 72 155.285 6.036 7.613 1.00 0.00 C ATOM 1008 C PHE A 72 156.210 4.994 8.234 1.00 0.00 C ATOM 1009 O PHE A 72 157.229 4.626 7.649 1.00 0.00 O ATOM 1010 CB PHE A 72 153.866 5.476 7.505 1.00 0.00 C ATOM 1011 CG PHE A 72 153.694 4.488 6.386 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.520 4.923 5.082 1.00 0.00 C ATOM 1013 CD2 PHE A 72 153.705 3.126 6.639 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.360 4.017 4.050 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.546 2.215 5.612 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.374 2.662 4.316 1.00 0.00 C ATOM 0 H PHE A 72 156.165 5.688 5.741 1.00 0.00 H new ATOM 0 HA PHE A 72 155.273 6.915 8.258 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.601 4.996 8.447 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.168 6.301 7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.509 5.982 4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 72 153.839 2.772 7.650 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.224 4.368 3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.556 1.156 5.822 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.251 1.952 3.511 1.00 0.00 H new ATOM 1026 N THR A 73 155.849 4.521 9.422 1.00 0.00 N ATOM 1027 CA THR A 73 156.646 3.521 10.122 1.00 0.00 C ATOM 1028 C THR A 73 155.862 2.224 10.297 1.00 0.00 C ATOM 1029 O THR A 73 154.872 2.180 11.028 1.00 0.00 O ATOM 1030 CB THR A 73 157.085 4.053 11.487 1.00 0.00 C ATOM 1031 OG1 THR A 73 157.756 3.047 12.225 1.00 0.00 O ATOM 1032 CG2 THR A 73 155.934 4.552 12.333 1.00 0.00 C ATOM 0 H THR A 73 155.009 4.815 9.920 1.00 0.00 H new ATOM 0 HA THR A 73 157.530 3.311 9.520 1.00 0.00 H new ATOM 0 HB THR A 73 157.746 4.892 11.271 1.00 0.00 H new ATOM 0 HG1 THR A 73 158.030 3.407 13.094 1.00 0.00 H new ATOM 0 HG21 THR A 73 156.315 4.915 13.288 1.00 0.00 H new ATOM 0 HG22 THR A 73 155.425 5.364 11.813 1.00 0.00 H new ATOM 0 HG23 THR A 73 155.232 3.737 12.509 1.00 0.00 H new ATOM 1040 N CYS A 74 156.311 1.172 9.622 1.00 0.00 N ATOM 1041 CA CYS A 74 155.651 -0.126 9.704 1.00 0.00 C ATOM 1042 C CYS A 74 156.672 -1.259 9.654 1.00 0.00 C ATOM 1043 O CYS A 74 157.867 -1.025 9.475 1.00 0.00 O ATOM 1044 CB CYS A 74 154.644 -0.282 8.562 1.00 0.00 C ATOM 1045 SG CYS A 74 152.993 0.348 8.944 1.00 0.00 S ATOM 0 H CYS A 74 157.129 1.192 9.012 1.00 0.00 H new ATOM 0 HA CYS A 74 155.123 -0.178 10.656 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.025 0.237 7.682 1.00 0.00 H new ATOM 0 HB3 CYS A 74 154.567 -1.338 8.301 1.00 0.00 H new ATOM 0 HG CYS A 74 152.292 -0.588 9.513 1.00 0.00 H new ATOM 1051 N ALA A 75 156.192 -2.488 9.816 1.00 0.00 N ATOM 1052 CA ALA A 75 157.063 -3.657 9.791 1.00 0.00 C ATOM 1053 C ALA A 75 157.708 -3.832 8.420 1.00 0.00 C ATOM 1054 O ALA A 75 157.169 -3.385 7.408 1.00 0.00 O ATOM 1055 CB ALA A 75 156.281 -4.906 10.171 1.00 0.00 C ATOM 0 H ALA A 75 155.206 -2.700 9.966 1.00 0.00 H new ATOM 0 HA ALA A 75 157.858 -3.503 10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 75 156.944 -5.771 10.148 1.00 0.00 H new ATOM 0 HB2 ALA A 75 155.872 -4.788 11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 75 155.466 -5.055 9.463 1.00 0.00 H new ATOM 1061 N LEU A 76 158.864 -4.486 8.395 1.00 0.00 N ATOM 1062 CA LEU A 76 159.583 -4.720 7.148 1.00 0.00 C ATOM 1063 C LEU A 76 158.884 -5.784 6.309 1.00 0.00 C ATOM 1064 O LEU A 76 158.277 -6.711 6.844 1.00 0.00 O ATOM 1065 CB LEU A 76 161.023 -5.147 7.437 1.00 0.00 C ATOM 1066 CG LEU A 76 161.915 -4.055 8.031 1.00 0.00 C ATOM 1067 CD1 LEU A 76 161.985 -4.187 9.545 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.309 -4.116 7.425 1.00 0.00 C ATOM 0 H LEU A 76 159.323 -4.863 9.224 1.00 0.00 H new ATOM 0 HA LEU A 76 159.594 -3.787 6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.004 -5.993 8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.475 -5.499 6.510 1.00 0.00 H new ATOM 0 HG LEU A 76 161.478 -3.086 7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 76 162.624 -3.402 9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 76 160.984 -4.093 9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 76 162.398 -5.161 9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.929 -3.332 7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.754 -5.089 7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 76 163.244 -3.971 6.347 1.00 0.00 H new ATOM 1080 N LYS A 77 158.974 -5.644 4.990 1.00 0.00 N ATOM 1081 CA LYS A 77 158.350 -6.593 4.075 1.00 0.00 C ATOM 1082 C LYS A 77 156.836 -6.610 4.257 1.00 0.00 C ATOM 1083 O LYS A 77 156.193 -7.648 4.097 1.00 0.00 O ATOM 1084 CB LYS A 77 158.918 -7.997 4.297 1.00 0.00 C ATOM 1085 CG LYS A 77 160.436 -8.038 4.345 1.00 0.00 C ATOM 1086 CD LYS A 77 161.044 -7.809 2.971 1.00 0.00 C ATOM 1087 CE LYS A 77 162.497 -7.372 3.069 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.335 -7.988 2.004 1.00 0.00 N ATOM 0 H LYS A 77 159.473 -4.882 4.531 1.00 0.00 H new ATOM 0 HA LYS A 77 158.572 -6.276 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 77 158.522 -8.397 5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.570 -8.651 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 77 160.800 -7.278 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 77 160.763 -9.003 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 77 160.978 -8.726 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.470 -7.050 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.555 -6.286 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 77 162.893 -7.646 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.318 -7.665 2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.300 -9.024 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 162.973 -7.706 1.071 1.00 0.00 H new ATOM 1102 N LYS A 78 156.273 -5.453 4.593 1.00 0.00 N ATOM 1103 CA LYS A 78 154.833 -5.336 4.796 1.00 0.00 C ATOM 1104 C LYS A 78 154.337 -3.953 4.387 1.00 0.00 C ATOM 1105 O LYS A 78 153.462 -3.379 5.035 1.00 0.00 O ATOM 1106 CB LYS A 78 154.482 -5.606 6.260 1.00 0.00 C ATOM 1107 CG LYS A 78 154.975 -6.951 6.768 1.00 0.00 C ATOM 1108 CD LYS A 78 154.548 -7.196 8.206 1.00 0.00 C ATOM 1109 CE LYS A 78 153.329 -8.101 8.279 1.00 0.00 C ATOM 1110 NZ LYS A 78 152.528 -7.854 9.510 1.00 0.00 N ATOM 0 H LYS A 78 156.791 -4.585 4.730 1.00 0.00 H new ATOM 0 HA LYS A 78 154.340 -6.078 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 78 154.908 -4.816 6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.400 -5.557 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 78 154.586 -7.746 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.062 -6.991 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.371 -7.648 8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.325 -6.244 8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 78 152.704 -7.940 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 78 153.648 -9.143 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 151.744 -8.536 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.135 -7.966 10.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.145 -6.887 9.487 1.00 0.00 H new ATOM 1124 N ALA A 79 154.903 -3.423 3.306 1.00 0.00 N ATOM 1125 CA ALA A 79 154.517 -2.107 2.811 1.00 0.00 C ATOM 1126 C ALA A 79 154.453 -2.093 1.287 1.00 0.00 C ATOM 1127 O ALA A 79 155.479 -1.991 0.614 1.00 0.00 O ATOM 1128 CB ALA A 79 155.491 -1.050 3.310 1.00 0.00 C ATOM 0 H ALA A 79 155.629 -3.884 2.758 1.00 0.00 H new ATOM 0 HA ALA A 79 153.522 -1.878 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.191 -0.072 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.486 -1.036 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.495 -1.284 2.955 1.00 0.00 H new ATOM 1134 N LEU A 80 153.242 -2.196 0.749 1.00 0.00 N ATOM 1135 CA LEU A 80 153.045 -2.195 -0.696 1.00 0.00 C ATOM 1136 C LEU A 80 152.259 -0.964 -1.137 1.00 0.00 C ATOM 1137 O LEU A 80 151.060 -0.857 -0.880 1.00 0.00 O ATOM 1138 CB LEU A 80 152.312 -3.465 -1.132 1.00 0.00 C ATOM 1139 CG LEU A 80 152.003 -3.553 -2.627 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.212 -4.072 -3.391 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.795 -4.445 -2.870 1.00 0.00 C ATOM 0 H LEU A 80 152.383 -2.281 1.292 1.00 0.00 H new ATOM 0 HA LEU A 80 154.025 -2.168 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 80 152.914 -4.329 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.376 -3.534 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 80 151.770 -2.552 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.974 -4.128 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 80 154.054 -3.396 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.475 -5.064 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.590 -4.496 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.000 -5.446 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 80 149.928 -4.033 -2.353 1.00 0.00 H new ATOM 1153 N PHE A 81 152.943 -0.039 -1.802 1.00 0.00 N ATOM 1154 CA PHE A 81 152.309 1.184 -2.279 1.00 0.00 C ATOM 1155 C PHE A 81 151.493 0.917 -3.540 1.00 0.00 C ATOM 1156 O PHE A 81 151.877 0.102 -4.379 1.00 0.00 O ATOM 1157 CB PHE A 81 153.364 2.255 -2.559 1.00 0.00 C ATOM 1158 CG PHE A 81 154.090 2.718 -1.328 1.00 0.00 C ATOM 1159 CD1 PHE A 81 155.218 2.048 -0.880 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.645 3.822 -0.619 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.888 2.471 0.252 1.00 0.00 C ATOM 1162 CE2 PHE A 81 154.311 4.250 0.515 1.00 0.00 C ATOM 1163 CZ PHE A 81 155.435 3.573 0.950 1.00 0.00 C ATOM 0 H PHE A 81 153.936 -0.113 -2.023 1.00 0.00 H new ATOM 0 HA PHE A 81 151.636 1.542 -1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 81 154.089 1.862 -3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.884 3.112 -3.032 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.577 1.186 -1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.768 4.355 -0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.765 1.940 0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.954 5.111 1.060 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.958 3.905 1.834 1.00 0.00 H new ATOM 1173 N VAL A 82 150.364 1.608 -3.667 1.00 0.00 N ATOM 1174 CA VAL A 82 149.494 1.444 -4.825 1.00 0.00 C ATOM 1175 C VAL A 82 148.612 2.671 -5.027 1.00 0.00 C ATOM 1176 O VAL A 82 148.497 3.519 -4.142 1.00 0.00 O ATOM 1177 CB VAL A 82 148.598 0.200 -4.684 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.428 -1.071 -4.779 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.827 0.243 -3.373 1.00 0.00 C ATOM 0 H VAL A 82 150.031 2.286 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 82 150.143 1.318 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 82 147.879 0.199 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.777 -1.939 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.931 -1.106 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.172 -1.080 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.199 -0.644 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.528 0.270 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 82 147.200 1.134 -3.349 1.00 0.00 H new ATOM 1189 N LYS A 83 147.991 2.760 -6.199 1.00 0.00 N ATOM 1190 CA LYS A 83 147.118 3.884 -6.518 1.00 0.00 C ATOM 1191 C LYS A 83 145.833 3.826 -5.700 1.00 0.00 C ATOM 1192 O LYS A 83 145.108 2.831 -5.732 1.00 0.00 O ATOM 1193 CB LYS A 83 146.786 3.890 -8.012 1.00 0.00 C ATOM 1194 CG LYS A 83 148.004 4.058 -8.904 1.00 0.00 C ATOM 1195 CD LYS A 83 147.623 4.036 -10.376 1.00 0.00 C ATOM 1196 CE LYS A 83 148.408 5.068 -11.171 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.692 4.605 -12.557 1.00 0.00 N ATOM 0 H LYS A 83 148.076 2.068 -6.943 1.00 0.00 H new ATOM 0 HA LYS A 83 147.645 4.804 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 83 146.284 2.957 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 83 146.082 4.697 -8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 83 148.501 4.999 -8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.719 3.261 -8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.807 3.043 -10.786 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.556 4.231 -10.479 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.846 6.001 -11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 83 149.347 5.282 -10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 149.228 5.337 -13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 149.250 3.728 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 147.796 4.426 -13.054 1.00 0.00 H new ATOM 1211 N LEU A 84 145.559 4.900 -4.967 1.00 0.00 N ATOM 1212 CA LEU A 84 144.362 4.977 -4.138 1.00 0.00 C ATOM 1213 C LEU A 84 143.103 4.813 -4.985 1.00 0.00 C ATOM 1214 O LEU A 84 142.124 4.210 -4.547 1.00 0.00 O ATOM 1215 CB LEU A 84 144.324 6.314 -3.395 1.00 0.00 C ATOM 1216 CG LEU A 84 143.055 6.569 -2.580 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.085 5.777 -1.283 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.896 8.055 -2.295 1.00 0.00 C ATOM 0 H LEU A 84 146.151 5.730 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 84 144.395 4.165 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.183 6.364 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.438 7.119 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 84 142.197 6.236 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.174 5.971 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.152 4.713 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.950 6.078 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.988 8.219 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.757 8.411 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.828 8.601 -3.236 1.00 0.00 H new ATOM 1230 N LYS A 85 143.138 5.352 -6.199 1.00 0.00 N ATOM 1231 CA LYS A 85 141.999 5.264 -7.106 1.00 0.00 C ATOM 1232 C LYS A 85 141.717 3.814 -7.488 1.00 0.00 C ATOM 1233 O LYS A 85 140.589 3.461 -7.832 1.00 0.00 O ATOM 1234 CB LYS A 85 142.259 6.093 -8.365 1.00 0.00 C ATOM 1235 CG LYS A 85 143.453 5.615 -9.173 1.00 0.00 C ATOM 1236 CD LYS A 85 143.781 6.575 -10.306 1.00 0.00 C ATOM 1237 CE LYS A 85 144.955 7.474 -9.953 1.00 0.00 C ATOM 1238 NZ LYS A 85 144.679 8.301 -8.746 1.00 0.00 N ATOM 0 H LYS A 85 143.941 5.854 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 85 141.125 5.661 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 85 141.371 6.068 -8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 85 142.418 7.133 -8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 85 144.319 5.514 -8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 85 143.245 4.626 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 85 144.013 6.009 -11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 85 142.907 7.187 -10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 85 145.841 6.863 -9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 85 145.179 8.127 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 145.460 8.971 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 143.792 8.827 -8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 144.591 7.683 -7.914 1.00 0.00 H new ATOM 1252 N SER A 86 142.750 2.976 -7.427 1.00 0.00 N ATOM 1253 CA SER A 86 142.608 1.565 -7.767 1.00 0.00 C ATOM 1254 C SER A 86 142.494 0.710 -6.509 1.00 0.00 C ATOM 1255 O SER A 86 142.923 -0.444 -6.490 1.00 0.00 O ATOM 1256 CB SER A 86 143.800 1.100 -8.607 1.00 0.00 C ATOM 1257 OG SER A 86 143.657 1.500 -9.959 1.00 0.00 O ATOM 0 H SER A 86 143.691 3.250 -7.146 1.00 0.00 H new ATOM 0 HA SER A 86 141.693 1.447 -8.348 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.721 1.514 -8.197 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.886 0.015 -8.553 1.00 0.00 H new ATOM 0 HG SER A 86 144.432 1.193 -10.475 1.00 0.00 H new ATOM 1263 N CYS A 87 141.913 1.284 -5.460 1.00 0.00 N ATOM 1264 CA CYS A 87 141.742 0.575 -4.198 1.00 0.00 C ATOM 1265 C CYS A 87 140.267 0.304 -3.923 1.00 0.00 C ATOM 1266 O CYS A 87 139.397 1.064 -4.346 1.00 0.00 O ATOM 1267 CB CYS A 87 142.347 1.382 -3.048 1.00 0.00 C ATOM 1268 SG CYS A 87 144.153 1.474 -3.081 1.00 0.00 S ATOM 0 H CYS A 87 141.553 2.238 -5.460 1.00 0.00 H new ATOM 0 HA CYS A 87 142.261 -0.380 -4.274 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.942 2.393 -3.075 1.00 0.00 H new ATOM 0 HB3 CYS A 87 142.034 0.939 -2.103 1.00 0.00 H new ATOM 0 HG CYS A 87 144.539 2.037 -4.187 1.00 0.00 H new ATOM 1274 N ARG A 88 139.992 -0.786 -3.212 1.00 0.00 N ATOM 1275 CA ARG A 88 138.620 -1.156 -2.882 1.00 0.00 C ATOM 1276 C ARG A 88 138.440 -1.289 -1.372 1.00 0.00 C ATOM 1277 O ARG A 88 139.327 -1.781 -0.674 1.00 0.00 O ATOM 1278 CB ARG A 88 138.247 -2.472 -3.569 1.00 0.00 C ATOM 1279 CG ARG A 88 137.641 -2.286 -4.950 1.00 0.00 C ATOM 1280 CD ARG A 88 136.123 -2.374 -4.909 1.00 0.00 C ATOM 1281 NE ARG A 88 135.530 -2.222 -6.236 1.00 0.00 N ATOM 1282 CZ ARG A 88 135.476 -1.068 -6.897 1.00 0.00 C ATOM 1283 NH1 ARG A 88 135.977 0.037 -6.359 1.00 0.00 N ATOM 1284 NH2 ARG A 88 134.919 -1.019 -8.099 1.00 0.00 N ATOM 0 H ARG A 88 140.700 -1.427 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 88 137.960 -0.366 -3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 88 139.138 -3.094 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.539 -3.013 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.940 -1.318 -5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 88 138.032 -3.046 -5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.827 -3.334 -4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.733 -1.601 -4.247 1.00 0.00 H new ATOM 0 HE ARG A 88 135.134 -3.049 -6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 88 136.406 0.005 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 88 135.933 0.919 -6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 88 134.532 -1.865 -8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 88 134.877 -0.135 -8.606 1.00 0.00 H new ATOM 1298 N PRO A 89 137.282 -0.854 -0.841 1.00 0.00 N ATOM 1299 CA PRO A 89 136.995 -0.931 0.595 1.00 0.00 C ATOM 1300 C PRO A 89 137.153 -2.347 1.140 1.00 0.00 C ATOM 1301 O PRO A 89 136.565 -3.293 0.616 1.00 0.00 O ATOM 1302 CB PRO A 89 135.534 -0.482 0.696 1.00 0.00 C ATOM 1303 CG PRO A 89 135.303 0.344 -0.521 1.00 0.00 C ATOM 1304 CD PRO A 89 136.166 -0.254 -1.596 1.00 0.00 C ATOM 0 HA PRO A 89 137.682 -0.319 1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.859 -1.337 0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.360 0.095 1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.252 0.328 -0.810 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.568 1.386 -0.342 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.625 -1.001 -2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.516 0.503 -2.298 1.00 0.00 H new ATOM 1312 N ASP A 90 137.949 -2.484 2.196 1.00 0.00 N ATOM 1313 CA ASP A 90 138.183 -3.784 2.811 1.00 0.00 C ATOM 1314 C ASP A 90 137.359 -3.937 4.086 1.00 0.00 C ATOM 1315 O ASP A 90 137.749 -3.455 5.149 1.00 0.00 O ATOM 1316 CB ASP A 90 139.668 -3.964 3.127 1.00 0.00 C ATOM 1317 CG ASP A 90 140.101 -5.416 3.066 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.932 -6.041 1.997 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.609 -5.928 4.085 1.00 0.00 O ATOM 0 H ASP A 90 138.442 -1.711 2.643 1.00 0.00 H new ATOM 0 HA ASP A 90 137.874 -4.553 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.260 -3.381 2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.876 -3.567 4.121 1.00 0.00 H new ATOM 1324 N SER A 91 136.220 -4.611 3.972 1.00 0.00 N ATOM 1325 CA SER A 91 135.343 -4.826 5.118 1.00 0.00 C ATOM 1326 C SER A 91 135.563 -6.209 5.723 1.00 0.00 C ATOM 1327 O SER A 91 134.646 -6.803 6.289 1.00 0.00 O ATOM 1328 CB SER A 91 133.879 -4.667 4.702 1.00 0.00 C ATOM 1329 OG SER A 91 133.091 -4.194 5.781 1.00 0.00 O ATOM 0 H SER A 91 135.882 -5.017 3.100 1.00 0.00 H new ATOM 0 HA SER A 91 135.584 -4.077 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.809 -3.973 3.865 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.490 -5.624 4.356 1.00 0.00 H new ATOM 0 HG SER A 91 132.160 -4.099 5.489 1.00 0.00 H new ATOM 1335 N ARG A 92 136.787 -6.715 5.600 1.00 0.00 N ATOM 1336 CA ARG A 92 137.126 -8.028 6.137 1.00 0.00 C ATOM 1337 C ARG A 92 137.058 -8.025 7.660 1.00 0.00 C ATOM 1338 O ARG A 92 136.757 -9.045 8.281 1.00 0.00 O ATOM 1339 CB ARG A 92 138.525 -8.444 5.677 1.00 0.00 C ATOM 1340 CG ARG A 92 138.648 -8.601 4.171 1.00 0.00 C ATOM 1341 CD ARG A 92 137.984 -9.879 3.686 1.00 0.00 C ATOM 1342 NE ARG A 92 136.678 -9.622 3.082 1.00 0.00 N ATOM 1343 CZ ARG A 92 136.048 -10.481 2.285 1.00 0.00 C ATOM 1344 NH1 ARG A 92 136.599 -11.654 1.994 1.00 0.00 N ATOM 1345 NH2 ARG A 92 134.864 -10.169 1.777 1.00 0.00 N ATOM 0 H ARG A 92 137.558 -6.237 5.134 1.00 0.00 H new ATOM 0 HA ARG A 92 136.399 -8.747 5.760 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.246 -7.700 6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 92 138.790 -9.387 6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.192 -7.743 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 92 139.701 -8.608 3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 92 138.630 -10.369 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 92 137.867 -10.567 4.523 1.00 0.00 H new ATOM 0 HE ARG A 92 136.223 -8.732 3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 92 137.510 -11.900 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 92 136.112 -12.309 1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 92 134.435 -9.270 1.997 1.00 0.00 H new ATOM 0 HH22 ARG A 92 134.382 -10.828 1.166 1.00 0.00 H new