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 150:sc= -2.24! USER MOD Set 1.2: A 83 MET CE :methyl 147:sc= -0.326 (180deg=-2.09!) USER MOD Set 2.1: A 29 THR OG1 : rot -160:sc= -1.12 USER MOD Set 2.2: A 32 THR OG1 : rot -170:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.213 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0434 K(o=-0.043,f=-1.4) USER MOD Single : A 28 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.6) USER MOD Single : A 37 SER OG : rot -26:sc= 0.211 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 71:sc= 0.00707 USER MOD Single : A 43 TYR OH : rot 180:sc= -3.16! USER MOD Single : A 46 ASN : amide:sc= -0.0207 K(o=-0.021,f=-1.2!) USER MOD Single : A 50 ASN : amide:sc= -0.0994 X(o=-0.099,f=-0.099) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= 0.255 (180deg=0.233) 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= 0 X(o=0,f=-0.19) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -28:sc= -0.355 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.436 K(o=-0.44,f=-4.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.339 USER MOD Single : A 102 GLN : amide:sc= -2.55! C(o=-2.5!,f=-2.1!) USER MOD Single : A 104 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.48) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0676 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ALA A 18 13.063 -5.866 0.937 1.00 0.15 N ATOM 202 CA ALA A 18 12.166 -6.218 2.032 1.00 42.44 C ATOM 203 C ALA A 18 10.719 -5.882 1.686 1.00 5.12 C ATOM 204 O ALA A 18 10.443 -5.275 0.651 1.00 63.22 O ATOM 205 CB ALA A 18 12.585 -5.501 3.307 1.00 15.43 C ATOM 0 HA ALA A 18 12.233 -7.294 2.193 1.00 42.44 H new ATOM 0 HB1 ALA A 18 11.907 -5.772 4.116 1.00 15.43 H new ATOM 0 HB2 ALA A 18 13.601 -5.793 3.571 1.00 15.43 H new ATOM 0 HB3 ALA A 18 12.547 -4.423 3.148 1.00 15.43 H new ATOM 211 N SER A 19 9.799 -6.283 2.557 1.00 54.52 N ATOM 212 CA SER A 19 8.380 -6.028 2.339 1.00 33.33 C ATOM 213 C SER A 19 7.546 -6.584 3.491 1.00 10.13 C ATOM 214 O SER A 19 6.789 -7.542 3.337 1.00 23.11 O ATOM 215 CB SER A 19 7.924 -6.652 1.019 1.00 32.15 C ATOM 216 OG SER A 19 8.762 -7.733 0.650 1.00 62.33 O ATOM 0 H SER A 19 10.010 -6.785 3.419 1.00 54.52 H new ATOM 0 HA SER A 19 8.233 -4.949 2.292 1.00 33.33 H new ATOM 0 HB2 SER A 19 6.896 -7.001 1.114 1.00 32.15 H new ATOM 0 HB3 SER A 19 7.933 -5.896 0.234 1.00 32.15 H new ATOM 0 HG SER A 19 8.449 -8.116 -0.196 1.00 62.33 H new ATOM 222 N PRO A 20 7.688 -5.968 4.674 1.00 41.14 N ATOM 223 CA PRO A 20 6.957 -6.381 5.875 1.00 34.35 C ATOM 224 C PRO A 20 5.466 -6.072 5.783 1.00 42.12 C ATOM 225 O PRO A 20 4.630 -6.874 6.196 1.00 13.12 O ATOM 226 CB PRO A 20 7.606 -5.555 6.989 1.00 72.24 C ATOM 227 CG PRO A 20 8.155 -4.354 6.297 1.00 1.22 C ATOM 228 CD PRO A 20 8.573 -4.818 4.929 1.00 21.24 C ATOM 0 HA PRO A 20 7.015 -7.458 6.035 1.00 34.35 H new ATOM 0 HB2 PRO A 20 6.878 -5.275 7.750 1.00 72.24 H new ATOM 0 HB3 PRO A 20 8.393 -6.117 7.492 1.00 72.24 H new ATOM 0 HG2 PRO A 20 7.405 -3.566 6.229 1.00 1.22 H new ATOM 0 HG3 PRO A 20 9.002 -3.941 6.845 1.00 1.22 H new ATOM 0 HD2 PRO A 20 8.441 -4.036 4.182 1.00 21.24 H new ATOM 0 HD3 PRO A 20 9.624 -5.107 4.906 1.00 21.24 H new ATOM 236 N ALA A 21 5.142 -4.905 5.235 1.00 70.44 N ATOM 237 CA ALA A 21 3.753 -4.492 5.086 1.00 41.33 C ATOM 238 C ALA A 21 2.986 -5.459 4.190 1.00 12.11 C ATOM 239 O ALA A 21 1.795 -5.697 4.393 1.00 40.11 O ATOM 240 CB ALA A 21 3.680 -3.079 4.525 1.00 62.43 C ATOM 0 H ALA A 21 5.823 -4.230 4.887 1.00 70.44 H new ATOM 0 HA ALA A 21 3.288 -4.505 6.072 1.00 41.33 H new ATOM 0 HB1 ALA A 21 2.636 -2.783 4.419 1.00 62.43 H new ATOM 0 HB2 ALA A 21 4.185 -2.392 5.204 1.00 62.43 H new ATOM 0 HB3 ALA A 21 4.167 -3.049 3.550 1.00 62.43 H new ATOM 246 N VAL A 22 3.674 -6.013 3.198 1.00 4.24 N ATOM 247 CA VAL A 22 3.059 -6.955 2.271 1.00 35.41 C ATOM 248 C VAL A 22 2.612 -8.223 2.992 1.00 53.42 C ATOM 249 O VAL A 22 1.484 -8.681 2.817 1.00 34.41 O ATOM 250 CB VAL A 22 4.025 -7.337 1.134 1.00 54.10 C ATOM 251 CG1 VAL A 22 3.324 -8.222 0.113 1.00 1.54 C ATOM 252 CG2 VAL A 22 4.587 -6.088 0.471 1.00 0.23 C ATOM 0 H VAL A 22 4.660 -5.825 3.015 1.00 4.24 H new ATOM 0 HA VAL A 22 2.188 -6.457 1.845 1.00 35.41 H new ATOM 0 HB VAL A 22 4.855 -7.900 1.560 1.00 54.10 H new ATOM 0 HG11 VAL A 22 4.022 -8.482 -0.683 1.00 1.54 H new ATOM 0 HG12 VAL A 22 2.974 -9.132 0.600 1.00 1.54 H new ATOM 0 HG13 VAL A 22 2.474 -7.687 -0.310 1.00 1.54 H new ATOM 0 HG21 VAL A 22 5.268 -6.376 -0.330 1.00 0.23 H new ATOM 0 HG22 VAL A 22 3.770 -5.496 0.058 1.00 0.23 H new ATOM 0 HG23 VAL A 22 5.126 -5.495 1.210 1.00 0.23 H new ATOM 262 N ALA A 23 3.504 -8.782 3.801 1.00 53.53 N ATOM 263 CA ALA A 23 3.201 -9.995 4.551 1.00 62.12 C ATOM 264 C ALA A 23 2.136 -9.734 5.610 1.00 5.52 C ATOM 265 O ALA A 23 1.209 -10.524 5.777 1.00 13.23 O ATOM 266 CB ALA A 23 4.465 -10.546 5.193 1.00 22.45 C ATOM 0 H ALA A 23 4.443 -8.415 3.955 1.00 53.53 H new ATOM 0 HA ALA A 23 2.808 -10.736 3.855 1.00 62.12 H new ATOM 0 HB1 ALA A 23 4.225 -11.452 5.750 1.00 22.45 H new ATOM 0 HB2 ALA A 23 5.195 -10.779 4.418 1.00 22.45 H new ATOM 0 HB3 ALA A 23 4.882 -9.802 5.872 1.00 22.45 H new ATOM 272 N GLU A 24 2.278 -8.621 6.323 1.00 20.24 N ATOM 273 CA GLU A 24 1.328 -8.258 7.368 1.00 74.52 C ATOM 274 C GLU A 24 -0.071 -8.067 6.789 1.00 42.12 C ATOM 275 O GLU A 24 -1.070 -8.413 7.420 1.00 60.00 O ATOM 276 CB GLU A 24 1.777 -6.979 8.076 1.00 4.32 C ATOM 277 CG GLU A 24 2.029 -7.163 9.563 1.00 41.31 C ATOM 278 CD GLU A 24 3.506 -7.221 9.903 1.00 43.30 C ATOM 279 OE1 GLU A 24 4.126 -8.280 9.674 1.00 62.43 O ATOM 280 OE2 GLU A 24 4.041 -6.207 10.397 1.00 64.04 O ATOM 0 H GLU A 24 3.041 -7.956 6.196 1.00 20.24 H new ATOM 0 HA GLU A 24 1.296 -9.072 8.092 1.00 74.52 H new ATOM 0 HB2 GLU A 24 2.689 -6.613 7.604 1.00 4.32 H new ATOM 0 HB3 GLU A 24 1.016 -6.211 7.937 1.00 4.32 H new ATOM 0 HG2 GLU A 24 1.566 -6.342 10.110 1.00 41.31 H new ATOM 0 HG3 GLU A 24 1.547 -8.081 9.898 1.00 41.31 H new ATOM 287 N LEU A 25 -0.135 -7.512 5.583 1.00 22.23 N ATOM 288 CA LEU A 25 -1.410 -7.275 4.917 1.00 12.32 C ATOM 289 C LEU A 25 -2.031 -8.585 4.443 1.00 13.42 C ATOM 290 O LEU A 25 -3.239 -8.791 4.567 1.00 1.45 O ATOM 291 CB LEU A 25 -1.219 -6.329 3.729 1.00 54.51 C ATOM 292 CG LEU A 25 -1.609 -4.870 3.964 1.00 42.25 C ATOM 293 CD1 LEU A 25 -3.118 -4.701 3.894 1.00 63.02 C ATOM 294 CD2 LEU A 25 -1.079 -4.385 5.305 1.00 5.15 C ATOM 0 H LEU A 25 0.682 -7.218 5.047 1.00 22.23 H new ATOM 0 HA LEU A 25 -2.087 -6.814 5.637 1.00 12.32 H new ATOM 0 HB2 LEU A 25 -0.171 -6.361 3.430 1.00 54.51 H new ATOM 0 HB3 LEU A 25 -1.802 -6.709 2.890 1.00 54.51 H new ATOM 0 HG LEU A 25 -1.160 -4.264 3.177 1.00 42.25 H new ATOM 0 HD11 LEU A 25 -3.375 -3.656 4.064 1.00 63.02 H new ATOM 0 HD12 LEU A 25 -3.473 -5.007 2.910 1.00 63.02 H new ATOM 0 HD13 LEU A 25 -3.589 -5.319 4.658 1.00 63.02 H new ATOM 0 HD21 LEU A 25 -1.366 -3.344 5.455 1.00 5.15 H new ATOM 0 HD22 LEU A 25 -1.498 -4.996 6.104 1.00 5.15 H new ATOM 0 HD23 LEU A 25 0.008 -4.467 5.318 1.00 5.15 H new ATOM 306 N CYS A 26 -1.199 -9.466 3.903 1.00 13.35 N ATOM 307 CA CYS A 26 -1.665 -10.758 3.413 1.00 34.43 C ATOM 308 C CYS A 26 -2.290 -11.575 4.539 1.00 51.13 C ATOM 309 O CYS A 26 -3.024 -12.531 4.292 1.00 75.54 O ATOM 310 CB CYS A 26 -0.508 -11.537 2.785 1.00 62.44 C ATOM 311 SG CYS A 26 -0.957 -12.442 1.285 1.00 25.32 S ATOM 0 H CYS A 26 -0.197 -9.310 3.793 1.00 13.35 H new ATOM 0 HA CYS A 26 -2.426 -10.576 2.654 1.00 34.43 H new ATOM 0 HB2 CYS A 26 0.299 -10.842 2.550 1.00 62.44 H new ATOM 0 HB3 CYS A 26 -0.118 -12.242 3.519 1.00 62.44 H new ATOM 0 HG CYS A 26 0.087 -13.067 0.827 1.00 25.32 H new ATOM 317 N GLN A 27 -1.993 -11.190 5.777 1.00 25.53 N ATOM 318 CA GLN A 27 -2.524 -11.889 6.942 1.00 0.33 C ATOM 319 C GLN A 27 -4.047 -11.826 6.965 1.00 34.30 C ATOM 320 O GLN A 27 -4.700 -12.606 7.659 1.00 44.21 O ATOM 321 CB GLN A 27 -1.957 -11.283 8.228 1.00 24.00 C ATOM 322 CG GLN A 27 -0.438 -11.281 8.279 1.00 3.44 C ATOM 323 CD GLN A 27 0.096 -11.136 9.691 1.00 3.43 C ATOM 324 OE1 GLN A 27 -0.669 -11.038 10.651 1.00 41.03 O ATOM 325 NE2 GLN A 27 1.418 -11.121 9.825 1.00 0.14 N ATOM 0 H GLN A 27 -1.388 -10.399 5.999 1.00 25.53 H new ATOM 0 HA GLN A 27 -2.222 -12.934 6.877 1.00 0.33 H new ATOM 0 HB2 GLN A 27 -2.317 -10.259 8.327 1.00 24.00 H new ATOM 0 HB3 GLN A 27 -2.341 -11.840 9.083 1.00 24.00 H new ATOM 0 HG2 GLN A 27 -0.062 -12.208 7.845 1.00 3.44 H new ATOM 0 HG3 GLN A 27 -0.058 -10.464 7.665 1.00 3.44 H new ATOM 0 HE21 GLN A 27 2.015 -11.205 9.002 1.00 0.14 H new ATOM 0 HE22 GLN A 27 1.836 -11.025 10.751 1.00 0.14 H new ATOM 334 N ASN A 28 -4.609 -10.895 6.202 1.00 53.43 N ATOM 335 CA ASN A 28 -6.056 -10.730 6.137 1.00 54.42 C ATOM 336 C ASN A 28 -6.623 -11.396 4.887 1.00 1.23 C ATOM 337 O ASN A 28 -7.530 -12.225 4.969 1.00 42.00 O ATOM 338 CB ASN A 28 -6.423 -9.244 6.147 1.00 21.31 C ATOM 339 CG ASN A 28 -7.874 -9.009 6.515 1.00 35.40 C ATOM 340 OD1 ASN A 28 -8.363 -9.528 7.519 1.00 73.33 O ATOM 341 ND2 ASN A 28 -8.572 -8.224 5.701 1.00 13.05 N ATOM 0 H ASN A 28 -4.084 -10.243 5.620 1.00 53.43 H new ATOM 0 HA ASN A 28 -6.491 -11.210 7.013 1.00 54.42 H new ATOM 0 HB2 ASN A 28 -5.782 -8.719 6.855 1.00 21.31 H new ATOM 0 HB3 ASN A 28 -6.227 -8.818 5.163 1.00 21.31 H new ATOM 0 HD21 ASN A 28 -9.554 -8.030 5.897 1.00 13.05 H new ATOM 0 HD22 ASN A 28 -8.126 -7.815 4.880 1.00 13.05 H new ATOM 348 N THR A 29 -6.084 -11.028 3.730 1.00 4.42 N ATOM 349 CA THR A 29 -6.535 -11.589 2.463 1.00 31.30 C ATOM 350 C THR A 29 -5.634 -11.148 1.313 1.00 4.02 C ATOM 351 O THR A 29 -5.053 -10.063 1.331 1.00 44.43 O ATOM 352 CB THR A 29 -7.985 -11.175 2.150 1.00 45.32 C ATOM 353 OG1 THR A 29 -8.436 -10.211 3.107 1.00 35.24 O ATOM 354 CG2 THR A 29 -8.908 -12.385 2.167 1.00 40.01 C ATOM 0 H THR A 29 -5.333 -10.343 3.644 1.00 4.42 H new ATOM 0 HA THR A 29 -6.487 -12.673 2.563 1.00 31.30 H new ATOM 0 HB THR A 29 -8.008 -10.734 1.153 1.00 45.32 H new ATOM 0 HG1 THR A 29 -9.416 -10.187 3.111 1.00 35.24 H new ATOM 0 HG21 THR A 29 -9.927 -12.069 1.943 1.00 40.01 H new ATOM 0 HG22 THR A 29 -8.579 -13.104 1.417 1.00 40.01 H new ATOM 0 HG23 THR A 29 -8.881 -12.850 3.153 1.00 40.01 H new ATOM 362 N PRO A 30 -5.515 -12.008 0.290 1.00 33.03 N ATOM 363 CA PRO A 30 -4.686 -11.728 -0.885 1.00 75.45 C ATOM 364 C PRO A 30 -5.273 -10.621 -1.756 1.00 41.11 C ATOM 365 O PRO A 30 -4.586 -9.660 -2.098 1.00 44.32 O ATOM 366 CB PRO A 30 -4.684 -13.058 -1.643 1.00 61.12 C ATOM 367 CG PRO A 30 -5.942 -13.737 -1.220 1.00 63.40 C ATOM 368 CD PRO A 30 -6.179 -13.319 0.205 1.00 34.14 C ATOM 0 HA PRO A 30 -3.692 -11.378 -0.609 1.00 75.45 H new ATOM 0 HB2 PRO A 30 -4.663 -12.899 -2.721 1.00 61.12 H new ATOM 0 HB3 PRO A 30 -3.808 -13.656 -1.392 1.00 61.12 H new ATOM 0 HG2 PRO A 30 -6.777 -13.444 -1.857 1.00 63.40 H new ATOM 0 HG3 PRO A 30 -5.846 -14.820 -1.298 1.00 63.40 H new ATOM 0 HD2 PRO A 30 -7.243 -13.246 0.431 1.00 34.14 H new ATOM 0 HD3 PRO A 30 -5.752 -14.032 0.910 1.00 34.14 H new ATOM 376 N GLU A 31 -6.545 -10.764 -2.112 1.00 13.34 N ATOM 377 CA GLU A 31 -7.222 -9.776 -2.942 1.00 44.32 C ATOM 378 C GLU A 31 -7.400 -8.461 -2.188 1.00 44.34 C ATOM 379 O GLU A 31 -7.245 -7.379 -2.757 1.00 13.43 O ATOM 380 CB GLU A 31 -8.585 -10.305 -3.396 1.00 11.42 C ATOM 381 CG GLU A 31 -9.303 -9.382 -4.366 1.00 43.13 C ATOM 382 CD GLU A 31 -8.894 -9.621 -5.807 1.00 53.51 C ATOM 383 OE1 GLU A 31 -7.685 -9.531 -6.105 1.00 11.44 O ATOM 384 OE2 GLU A 31 -9.786 -9.896 -6.637 1.00 44.31 O ATOM 0 H GLU A 31 -7.128 -11.555 -1.838 1.00 13.34 H new ATOM 0 HA GLU A 31 -6.602 -9.591 -3.819 1.00 44.32 H new ATOM 0 HB2 GLU A 31 -8.449 -11.279 -3.867 1.00 11.42 H new ATOM 0 HB3 GLU A 31 -9.215 -10.460 -2.520 1.00 11.42 H new ATOM 0 HG2 GLU A 31 -10.379 -9.525 -4.269 1.00 43.13 H new ATOM 0 HG3 GLU A 31 -9.093 -8.346 -4.099 1.00 43.13 H new ATOM 391 N THR A 32 -7.726 -8.561 -0.903 1.00 63.21 N ATOM 392 CA THR A 32 -7.927 -7.382 -0.071 1.00 41.42 C ATOM 393 C THR A 32 -6.628 -6.604 0.102 1.00 3.24 C ATOM 394 O THR A 32 -6.626 -5.373 0.121 1.00 31.22 O ATOM 395 CB THR A 32 -8.474 -7.762 1.318 1.00 50.20 C ATOM 396 OG1 THR A 32 -9.753 -8.390 1.185 1.00 31.42 O ATOM 397 CG2 THR A 32 -8.598 -6.531 2.204 1.00 33.10 C ATOM 0 H THR A 32 -7.856 -9.448 -0.416 1.00 63.21 H new ATOM 0 HA THR A 32 -8.658 -6.755 -0.582 1.00 41.42 H new ATOM 0 HB THR A 32 -7.775 -8.457 1.783 1.00 50.20 H new ATOM 0 HG1 THR A 32 -10.164 -8.486 2.069 1.00 31.42 H new ATOM 0 HG21 THR A 32 -8.986 -6.823 3.180 1.00 33.10 H new ATOM 0 HG22 THR A 32 -7.618 -6.070 2.326 1.00 33.10 H new ATOM 0 HG23 THR A 32 -9.279 -5.817 1.741 1.00 33.10 H new ATOM 405 N PHE A 33 -5.521 -7.330 0.229 1.00 10.33 N ATOM 406 CA PHE A 33 -4.214 -6.707 0.402 1.00 53.14 C ATOM 407 C PHE A 33 -3.812 -5.929 -0.849 1.00 34.43 C ATOM 408 O PHE A 33 -3.287 -4.820 -0.762 1.00 5.54 O ATOM 409 CB PHE A 33 -3.158 -7.768 0.717 1.00 4.15 C ATOM 410 CG PHE A 33 -1.824 -7.494 0.083 1.00 44.31 C ATOM 411 CD1 PHE A 33 -1.079 -6.387 0.459 1.00 62.42 C ATOM 412 CD2 PHE A 33 -1.316 -8.342 -0.888 1.00 3.51 C ATOM 413 CE1 PHE A 33 0.148 -6.132 -0.124 1.00 1.30 C ATOM 414 CE2 PHE A 33 -0.088 -8.091 -1.473 1.00 71.54 C ATOM 415 CZ PHE A 33 0.645 -6.986 -1.090 1.00 70.11 C ATOM 0 H PHE A 33 -5.504 -8.350 0.215 1.00 10.33 H new ATOM 0 HA PHE A 33 -4.279 -6.010 1.237 1.00 53.14 H new ATOM 0 HB2 PHE A 33 -3.031 -7.833 1.798 1.00 4.15 H new ATOM 0 HB3 PHE A 33 -3.519 -8.740 0.379 1.00 4.15 H new ATOM 0 HD1 PHE A 33 -1.461 -5.717 1.215 1.00 62.42 H new ATOM 0 HD2 PHE A 33 -1.885 -9.208 -1.191 1.00 3.51 H new ATOM 0 HE1 PHE A 33 0.718 -5.265 0.175 1.00 1.30 H new ATOM 0 HE2 PHE A 33 0.297 -8.759 -2.229 1.00 71.54 H new ATOM 0 HZ PHE A 33 1.605 -6.789 -1.544 1.00 70.11 H new ATOM 425 N LEU A 34 -4.064 -6.521 -2.012 1.00 44.05 N ATOM 426 CA LEU A 34 -3.729 -5.885 -3.282 1.00 14.32 C ATOM 427 C LEU A 34 -4.458 -4.555 -3.433 1.00 13.31 C ATOM 428 O LEU A 34 -3.857 -3.544 -3.798 1.00 23.24 O ATOM 429 CB LEU A 34 -4.084 -6.810 -4.447 1.00 24.31 C ATOM 430 CG LEU A 34 -2.909 -7.503 -5.137 1.00 11.23 C ATOM 431 CD1 LEU A 34 -3.408 -8.481 -6.189 1.00 3.55 C ATOM 432 CD2 LEU A 34 -1.976 -6.476 -5.760 1.00 40.01 C ATOM 0 H LEU A 34 -4.499 -7.439 -2.102 1.00 44.05 H new ATOM 0 HA LEU A 34 -2.656 -5.693 -3.293 1.00 14.32 H new ATOM 0 HB2 LEU A 34 -4.767 -7.576 -4.081 1.00 24.31 H new ATOM 0 HB3 LEU A 34 -4.626 -6.229 -5.193 1.00 24.31 H new ATOM 0 HG LEU A 34 -2.351 -8.063 -4.387 1.00 11.23 H new ATOM 0 HD11 LEU A 34 -2.557 -8.964 -6.669 1.00 3.55 H new ATOM 0 HD12 LEU A 34 -4.035 -9.237 -5.715 1.00 3.55 H new ATOM 0 HD13 LEU A 34 -3.990 -7.944 -6.938 1.00 3.55 H new ATOM 0 HD21 LEU A 34 -1.145 -6.987 -6.247 1.00 40.01 H new ATOM 0 HD22 LEU A 34 -2.522 -5.888 -6.497 1.00 40.01 H new ATOM 0 HD23 LEU A 34 -1.591 -5.816 -4.983 1.00 40.01 H new ATOM 444 N GLU A 35 -5.757 -4.560 -3.149 1.00 70.31 N ATOM 445 CA GLU A 35 -6.568 -3.353 -3.253 1.00 3.21 C ATOM 446 C GLU A 35 -6.229 -2.373 -2.134 1.00 41.40 C ATOM 447 O GLU A 35 -6.080 -1.174 -2.368 1.00 15.31 O ATOM 448 CB GLU A 35 -8.056 -3.705 -3.204 1.00 64.11 C ATOM 449 CG GLU A 35 -8.761 -3.554 -4.542 1.00 32.31 C ATOM 450 CD GLU A 35 -8.578 -2.177 -5.146 1.00 72.15 C ATOM 451 OE1 GLU A 35 -8.428 -1.205 -4.376 1.00 3.04 O ATOM 452 OE2 GLU A 35 -8.585 -2.070 -6.391 1.00 52.01 O ATOM 0 H GLU A 35 -6.270 -5.387 -2.845 1.00 70.31 H new ATOM 0 HA GLU A 35 -6.346 -2.878 -4.209 1.00 3.21 H new ATOM 0 HB2 GLU A 35 -8.167 -4.733 -2.858 1.00 64.11 H new ATOM 0 HB3 GLU A 35 -8.548 -3.067 -2.470 1.00 64.11 H new ATOM 0 HG2 GLU A 35 -8.381 -4.304 -5.235 1.00 32.31 H new ATOM 0 HG3 GLU A 35 -9.825 -3.751 -4.412 1.00 32.31 H new ATOM 459 N ALA A 36 -6.108 -2.892 -0.916 1.00 62.14 N ATOM 460 CA ALA A 36 -5.786 -2.064 0.239 1.00 43.34 C ATOM 461 C ALA A 36 -4.403 -1.437 0.097 1.00 64.52 C ATOM 462 O ALA A 36 -4.124 -0.385 0.674 1.00 75.52 O ATOM 463 CB ALA A 36 -5.864 -2.886 1.517 1.00 74.43 C ATOM 0 H ALA A 36 -6.228 -3.883 -0.704 1.00 62.14 H new ATOM 0 HA ALA A 36 -6.519 -1.259 0.292 1.00 43.34 H new ATOM 0 HB1 ALA A 36 -5.621 -2.254 2.371 1.00 74.43 H new ATOM 0 HB2 ALA A 36 -6.873 -3.282 1.634 1.00 74.43 H new ATOM 0 HB3 ALA A 36 -5.154 -3.711 1.463 1.00 74.43 H new ATOM 469 N SER A 37 -3.540 -2.088 -0.678 1.00 14.52 N ATOM 470 CA SER A 37 -2.184 -1.595 -0.892 1.00 75.15 C ATOM 471 C SER A 37 -2.138 -0.630 -2.073 1.00 2.04 C ATOM 472 O SER A 37 -1.425 0.373 -2.043 1.00 2.55 O ATOM 473 CB SER A 37 -1.227 -2.765 -1.136 1.00 52.43 C ATOM 474 OG SER A 37 -1.523 -3.418 -2.358 1.00 33.33 O ATOM 0 H SER A 37 -3.756 -2.957 -1.167 1.00 14.52 H new ATOM 0 HA SER A 37 -1.871 -1.060 0.005 1.00 75.15 H new ATOM 0 HB2 SER A 37 -0.200 -2.401 -1.154 1.00 52.43 H new ATOM 0 HB3 SER A 37 -1.299 -3.476 -0.313 1.00 52.43 H new ATOM 0 HG SER A 37 -2.469 -3.287 -2.578 1.00 33.33 H new ATOM 480 N LYS A 38 -2.903 -0.941 -3.113 1.00 10.11 N ATOM 481 CA LYS A 38 -2.953 -0.102 -4.305 1.00 3.21 C ATOM 482 C LYS A 38 -3.286 1.340 -3.941 1.00 41.44 C ATOM 483 O LYS A 38 -2.640 2.276 -4.419 1.00 73.12 O ATOM 484 CB LYS A 38 -3.990 -0.642 -5.292 1.00 31.23 C ATOM 485 CG LYS A 38 -3.571 -0.515 -6.746 1.00 22.34 C ATOM 486 CD LYS A 38 -4.755 -0.681 -7.684 1.00 35.22 C ATOM 487 CE LYS A 38 -5.619 0.571 -7.720 1.00 32.22 C ATOM 488 NZ LYS A 38 -6.540 0.576 -8.889 1.00 71.15 N ATOM 0 H LYS A 38 -3.498 -1.769 -3.155 1.00 10.11 H new ATOM 0 HA LYS A 38 -1.969 -0.123 -4.774 1.00 3.21 H new ATOM 0 HB2 LYS A 38 -4.180 -1.692 -5.068 1.00 31.23 H new ATOM 0 HB3 LYS A 38 -4.930 -0.110 -5.146 1.00 31.23 H new ATOM 0 HG2 LYS A 38 -3.110 0.459 -6.909 1.00 22.34 H new ATOM 0 HG3 LYS A 38 -2.816 -1.267 -6.975 1.00 22.34 H new ATOM 0 HD2 LYS A 38 -4.396 -0.905 -8.688 1.00 35.22 H new ATOM 0 HD3 LYS A 38 -5.358 -1.531 -7.364 1.00 35.22 H new ATOM 0 HE2 LYS A 38 -6.200 0.638 -6.800 1.00 32.22 H new ATOM 0 HE3 LYS A 38 -4.979 1.453 -7.758 1.00 32.22 H new ATOM 0 HZ1 LYS A 38 -7.111 1.445 -8.877 1.00 71.15 H new ATOM 0 HZ2 LYS A 38 -5.985 0.538 -9.768 1.00 71.15 H new ATOM 0 HZ3 LYS A 38 -7.168 -0.251 -8.840 1.00 71.15 H new ATOM 502 N LEU A 39 -4.292 1.516 -3.093 1.00 41.02 N ATOM 503 CA LEU A 39 -4.710 2.847 -2.664 1.00 63.14 C ATOM 504 C LEU A 39 -3.563 3.580 -1.977 1.00 11.43 C ATOM 505 O LEU A 39 -3.297 4.749 -2.266 1.00 32.42 O ATOM 506 CB LEU A 39 -5.907 2.746 -1.718 1.00 53.13 C ATOM 507 CG LEU A 39 -7.063 1.862 -2.188 1.00 24.24 C ATOM 508 CD1 LEU A 39 -7.684 1.126 -1.011 1.00 13.22 C ATOM 509 CD2 LEU A 39 -8.109 2.692 -2.914 1.00 31.42 C ATOM 0 H LEU A 39 -4.835 0.753 -2.688 1.00 41.02 H new ATOM 0 HA LEU A 39 -5.002 3.414 -3.548 1.00 63.14 H new ATOM 0 HB2 LEU A 39 -5.555 2.369 -0.758 1.00 53.13 H new ATOM 0 HB3 LEU A 39 -6.292 3.751 -1.544 1.00 53.13 H new ATOM 0 HG LEU A 39 -6.669 1.122 -2.885 1.00 24.24 H new ATOM 0 HD11 LEU A 39 -8.505 0.502 -1.364 1.00 13.22 H new ATOM 0 HD12 LEU A 39 -6.930 0.499 -0.535 1.00 13.22 H new ATOM 0 HD13 LEU A 39 -8.063 1.849 -0.289 1.00 13.22 H new ATOM 0 HD21 LEU A 39 -8.924 2.046 -3.241 1.00 31.42 H new ATOM 0 HD22 LEU A 39 -8.499 3.455 -2.241 1.00 31.42 H new ATOM 0 HD23 LEU A 39 -7.655 3.171 -3.782 1.00 31.42 H new ATOM 521 N LEU A 40 -2.886 2.890 -1.067 1.00 45.10 N ATOM 522 CA LEU A 40 -1.765 3.474 -0.339 1.00 74.54 C ATOM 523 C LEU A 40 -0.694 3.977 -1.302 1.00 52.21 C ATOM 524 O LEU A 40 -0.095 5.031 -1.084 1.00 52.54 O ATOM 525 CB LEU A 40 -1.163 2.447 0.621 1.00 62.11 C ATOM 526 CG LEU A 40 -2.126 1.838 1.641 1.00 24.54 C ATOM 527 CD1 LEU A 40 -1.544 0.558 2.225 1.00 63.32 C ATOM 528 CD2 LEU A 40 -2.435 2.837 2.747 1.00 62.34 C ATOM 0 H LEU A 40 -3.094 1.924 -0.815 1.00 45.10 H new ATOM 0 HA LEU A 40 -2.139 4.322 0.235 1.00 74.54 H new ATOM 0 HB2 LEU A 40 -0.730 1.639 0.032 1.00 62.11 H new ATOM 0 HB3 LEU A 40 -0.344 2.921 1.162 1.00 62.11 H new ATOM 0 HG LEU A 40 -3.057 1.592 1.131 1.00 24.54 H new ATOM 0 HD11 LEU A 40 -2.242 0.138 2.949 1.00 63.32 H new ATOM 0 HD12 LEU A 40 -1.374 -0.162 1.425 1.00 63.32 H new ATOM 0 HD13 LEU A 40 -0.599 0.781 2.720 1.00 63.32 H new ATOM 0 HD21 LEU A 40 -3.122 2.386 3.463 1.00 62.34 H new ATOM 0 HD22 LEU A 40 -1.511 3.115 3.255 1.00 62.34 H new ATOM 0 HD23 LEU A 40 -2.894 3.727 2.316 1.00 62.34 H new ATOM 540 N LEU A 41 -0.457 3.217 -2.365 1.00 55.42 N ATOM 541 CA LEU A 41 0.540 3.587 -3.363 1.00 61.12 C ATOM 542 C LEU A 41 0.129 4.858 -4.100 1.00 12.13 C ATOM 543 O LEU A 41 0.951 5.743 -4.339 1.00 71.11 O ATOM 544 CB LEU A 41 0.737 2.446 -4.362 1.00 33.23 C ATOM 545 CG LEU A 41 2.048 1.666 -4.241 1.00 60.30 C ATOM 546 CD1 LEU A 41 2.070 0.858 -2.952 1.00 20.33 C ATOM 547 CD2 LEU A 41 2.241 0.758 -5.446 1.00 20.34 C ATOM 0 H LEU A 41 -0.942 2.341 -2.558 1.00 55.42 H new ATOM 0 HA LEU A 41 1.481 3.777 -2.847 1.00 61.12 H new ATOM 0 HB2 LEU A 41 -0.091 1.746 -4.251 1.00 33.23 H new ATOM 0 HB3 LEU A 41 0.674 2.857 -5.370 1.00 33.23 H new ATOM 0 HG LEU A 41 2.872 2.379 -4.213 1.00 60.30 H new ATOM 0 HD11 LEU A 41 3.009 0.310 -2.882 1.00 20.33 H new ATOM 0 HD12 LEU A 41 1.978 1.531 -2.099 1.00 20.33 H new ATOM 0 HD13 LEU A 41 1.238 0.154 -2.950 1.00 20.33 H new ATOM 0 HD21 LEU A 41 3.178 0.211 -5.343 1.00 20.34 H new ATOM 0 HD22 LEU A 41 1.413 0.051 -5.505 1.00 20.34 H new ATOM 0 HD23 LEU A 41 2.270 1.360 -6.354 1.00 20.34 H new ATOM 559 N THR A 42 -1.149 4.942 -4.455 1.00 35.21 N ATOM 560 CA THR A 42 -1.669 6.105 -5.164 1.00 14.42 C ATOM 561 C THR A 42 -1.484 7.376 -4.343 1.00 72.33 C ATOM 562 O THR A 42 -1.128 8.425 -4.880 1.00 44.44 O ATOM 563 CB THR A 42 -3.164 5.937 -5.497 1.00 32.52 C ATOM 564 OG1 THR A 42 -3.343 4.842 -6.403 1.00 53.24 O ATOM 565 CG2 THR A 42 -3.728 7.208 -6.111 1.00 42.05 C ATOM 0 H THR A 42 -1.843 4.219 -4.263 1.00 35.21 H new ATOM 0 HA THR A 42 -1.104 6.189 -6.092 1.00 14.42 H new ATOM 0 HB THR A 42 -3.700 5.733 -4.570 1.00 32.52 H new ATOM 0 HG1 THR A 42 -3.177 3.998 -5.933 1.00 53.24 H new ATOM 0 HG21 THR A 42 -4.785 7.065 -6.337 1.00 42.05 H new ATOM 0 HG22 THR A 42 -3.616 8.033 -5.407 1.00 42.05 H new ATOM 0 HG23 THR A 42 -3.188 7.439 -7.029 1.00 42.05 H new ATOM 573 N TYR A 43 -1.728 7.277 -3.041 1.00 41.15 N ATOM 574 CA TYR A 43 -1.589 8.420 -2.148 1.00 40.12 C ATOM 575 C TYR A 43 -0.130 8.851 -2.037 1.00 11.14 C ATOM 576 O TYR A 43 0.180 10.042 -2.054 1.00 54.51 O ATOM 577 CB TYR A 43 -2.140 8.081 -0.761 1.00 23.14 C ATOM 578 CG TYR A 43 -3.648 8.005 -0.711 1.00 34.42 C ATOM 579 CD1 TYR A 43 -4.434 8.965 -1.334 1.00 75.22 C ATOM 580 CD2 TYR A 43 -4.289 6.969 -0.040 1.00 10.42 C ATOM 581 CE1 TYR A 43 -5.813 8.900 -1.289 1.00 73.23 C ATOM 582 CE2 TYR A 43 -5.668 6.895 0.009 1.00 22.02 C ATOM 583 CZ TYR A 43 -6.425 7.862 -0.617 1.00 1.44 C ATOM 584 OH TYR A 43 -7.799 7.792 -0.571 1.00 54.14 O ATOM 0 H TYR A 43 -2.023 6.416 -2.581 1.00 41.15 H new ATOM 0 HA TYR A 43 -2.162 9.247 -2.567 1.00 40.12 H new ATOM 0 HB2 TYR A 43 -1.726 7.126 -0.438 1.00 23.14 H new ATOM 0 HB3 TYR A 43 -1.799 8.833 -0.050 1.00 23.14 H new ATOM 0 HD1 TYR A 43 -3.959 9.777 -1.863 1.00 75.22 H new ATOM 0 HD2 TYR A 43 -3.699 6.209 0.451 1.00 10.42 H new ATOM 0 HE1 TYR A 43 -6.409 9.657 -1.777 1.00 73.23 H new ATOM 0 HE2 TYR A 43 -6.150 6.084 0.535 1.00 22.02 H new ATOM 0 HH TYR A 43 -8.069 7.001 -0.060 1.00 54.14 H new ATOM 594 N ALA A 44 0.762 7.873 -1.925 1.00 34.55 N ATOM 595 CA ALA A 44 2.188 8.148 -1.813 1.00 4.32 C ATOM 596 C ALA A 44 2.735 8.743 -3.107 1.00 3.44 C ATOM 597 O ALA A 44 3.714 9.489 -3.093 1.00 42.32 O ATOM 598 CB ALA A 44 2.945 6.879 -1.451 1.00 64.34 C ATOM 0 H ALA A 44 0.521 6.882 -1.909 1.00 34.55 H new ATOM 0 HA ALA A 44 2.330 8.880 -1.018 1.00 4.32 H new ATOM 0 HB1 ALA A 44 4.009 7.101 -1.371 1.00 64.34 H new ATOM 0 HB2 ALA A 44 2.581 6.498 -0.497 1.00 64.34 H new ATOM 0 HB3 ALA A 44 2.788 6.128 -2.225 1.00 64.34 H new ATOM 604 N ASP A 45 2.098 8.406 -4.222 1.00 22.43 N ATOM 605 CA ASP A 45 2.520 8.906 -5.526 1.00 24.31 C ATOM 606 C ASP A 45 2.553 10.431 -5.537 1.00 71.22 C ATOM 607 O ASP A 45 3.453 11.038 -6.115 1.00 51.15 O ATOM 608 CB ASP A 45 1.583 8.395 -6.620 1.00 70.51 C ATOM 609 CG ASP A 45 2.326 7.999 -7.881 1.00 43.55 C ATOM 610 OD1 ASP A 45 2.837 8.903 -8.577 1.00 12.42 O ATOM 611 OD2 ASP A 45 2.398 6.788 -8.173 1.00 35.13 O ATOM 0 H ASP A 45 1.287 7.788 -4.250 1.00 22.43 H new ATOM 0 HA ASP A 45 3.527 8.537 -5.721 1.00 24.31 H new ATOM 0 HB2 ASP A 45 1.026 7.536 -6.245 1.00 70.51 H new ATOM 0 HB3 ASP A 45 0.853 9.168 -6.860 1.00 70.51 H new ATOM 616 N ASN A 46 1.562 11.044 -4.897 1.00 11.13 N ATOM 617 CA ASN A 46 1.476 12.498 -4.835 1.00 11.25 C ATOM 618 C ASN A 46 2.657 13.081 -4.064 1.00 1.23 C ATOM 619 O ASN A 46 3.213 14.111 -4.445 1.00 40.34 O ATOM 620 CB ASN A 46 0.162 12.925 -4.176 1.00 64.00 C ATOM 621 CG ASN A 46 -1.038 12.688 -5.073 1.00 44.33 C ATOM 622 OD1 ASN A 46 -0.922 12.699 -6.299 1.00 22.44 O ATOM 623 ND2 ASN A 46 -2.198 12.473 -4.464 1.00 64.44 N ATOM 0 H ASN A 46 0.808 10.556 -4.414 1.00 11.13 H new ATOM 0 HA ASN A 46 1.505 12.882 -5.855 1.00 11.25 H new ATOM 0 HB2 ASN A 46 0.030 12.375 -3.244 1.00 64.00 H new ATOM 0 HB3 ASN A 46 0.215 13.982 -3.917 1.00 64.00 H new ATOM 0 HD21 ASN A 46 -3.040 12.308 -5.015 1.00 64.44 H new ATOM 0 HD22 ASN A 46 -2.247 12.473 -3.445 1.00 64.44 H new ATOM 630 N ILE A 47 3.034 12.414 -2.977 1.00 12.23 N ATOM 631 CA ILE A 47 4.149 12.865 -2.154 1.00 70.23 C ATOM 632 C ILE A 47 5.469 12.759 -2.910 1.00 54.12 C ATOM 633 O ILE A 47 6.266 13.697 -2.924 1.00 25.32 O ATOM 634 CB ILE A 47 4.250 12.053 -0.850 1.00 13.15 C ATOM 635 CG1 ILE A 47 3.184 12.514 0.148 1.00 22.31 C ATOM 636 CG2 ILE A 47 5.640 12.190 -0.247 1.00 23.42 C ATOM 637 CD1 ILE A 47 2.127 11.468 0.427 1.00 63.23 C ATOM 0 H ILE A 47 2.584 11.560 -2.647 1.00 12.23 H new ATOM 0 HA ILE A 47 3.957 13.909 -1.908 1.00 70.23 H new ATOM 0 HB ILE A 47 4.076 11.002 -1.080 1.00 13.15 H new ATOM 0 HG12 ILE A 47 3.669 12.788 1.085 1.00 22.31 H new ATOM 0 HG13 ILE A 47 2.702 13.413 -0.236 1.00 22.31 H new ATOM 0 HG21 ILE A 47 5.696 11.610 0.674 1.00 23.42 H new ATOM 0 HG22 ILE A 47 6.382 11.819 -0.954 1.00 23.42 H new ATOM 0 HG23 ILE A 47 5.840 13.239 -0.028 1.00 23.42 H new ATOM 0 HD11 ILE A 47 1.405 11.862 1.142 1.00 63.23 H new ATOM 0 HD12 ILE A 47 1.616 11.211 -0.501 1.00 63.23 H new ATOM 0 HD13 ILE A 47 2.598 10.576 0.841 1.00 63.23 H new ATOM 649 N LEU A 48 5.692 11.610 -3.540 1.00 14.23 N ATOM 650 CA LEU A 48 6.915 11.381 -4.300 1.00 1.41 C ATOM 651 C LEU A 48 6.943 12.241 -5.561 1.00 14.24 C ATOM 652 O LEU A 48 8.004 12.684 -5.998 1.00 74.14 O ATOM 653 CB LEU A 48 7.035 9.903 -4.676 1.00 11.04 C ATOM 654 CG LEU A 48 6.801 8.901 -3.544 1.00 53.02 C ATOM 655 CD1 LEU A 48 6.289 7.580 -4.098 1.00 43.33 C ATOM 656 CD2 LEU A 48 8.078 8.689 -2.746 1.00 44.42 C ATOM 0 H LEU A 48 5.042 10.824 -3.539 1.00 14.23 H new ATOM 0 HA LEU A 48 7.761 11.661 -3.672 1.00 1.41 H new ATOM 0 HB2 LEU A 48 6.322 9.693 -5.474 1.00 11.04 H new ATOM 0 HB3 LEU A 48 8.031 9.733 -5.085 1.00 11.04 H new ATOM 0 HG LEU A 48 6.043 9.308 -2.875 1.00 53.02 H new ATOM 0 HD11 LEU A 48 6.128 6.880 -3.278 1.00 43.33 H new ATOM 0 HD12 LEU A 48 5.348 7.746 -4.623 1.00 43.33 H new ATOM 0 HD13 LEU A 48 7.023 7.167 -4.790 1.00 43.33 H new ATOM 0 HD21 LEU A 48 7.892 7.973 -1.945 1.00 44.42 H new ATOM 0 HD22 LEU A 48 8.858 8.304 -3.403 1.00 44.42 H new ATOM 0 HD23 LEU A 48 8.401 9.638 -2.317 1.00 44.42 H new ATOM 668 N ARG A 49 5.768 12.473 -6.137 1.00 53.42 N ATOM 669 CA ARG A 49 5.657 13.282 -7.346 1.00 32.22 C ATOM 670 C ARG A 49 5.924 14.753 -7.042 1.00 71.15 C ATOM 671 O ARG A 49 6.648 15.427 -7.774 1.00 31.22 O ATOM 672 CB ARG A 49 4.268 13.121 -7.966 1.00 13.42 C ATOM 673 CG ARG A 49 4.122 11.872 -8.819 1.00 21.44 C ATOM 674 CD ARG A 49 5.063 11.900 -10.013 1.00 35.01 C ATOM 675 NE ARG A 49 4.349 11.718 -11.275 1.00 24.01 N ATOM 676 CZ ARG A 49 3.711 12.697 -11.907 1.00 11.13 C ATOM 677 NH1 ARG A 49 3.696 13.920 -11.395 1.00 54.12 N ATOM 678 NH2 ARG A 49 3.086 12.453 -13.050 1.00 72.21 N ATOM 0 H ARG A 49 4.880 12.113 -5.787 1.00 53.42 H new ATOM 0 HA ARG A 49 6.407 12.935 -8.057 1.00 32.22 H new ATOM 0 HB2 ARG A 49 3.525 13.095 -7.169 1.00 13.42 H new ATOM 0 HB3 ARG A 49 4.049 13.996 -8.578 1.00 13.42 H new ATOM 0 HG2 ARG A 49 4.328 10.990 -8.213 1.00 21.44 H new ATOM 0 HG3 ARG A 49 3.093 11.786 -9.167 1.00 21.44 H new ATOM 0 HD2 ARG A 49 5.597 12.850 -10.032 1.00 35.01 H new ATOM 0 HD3 ARG A 49 5.812 11.116 -9.903 1.00 35.01 H new ATOM 0 HE ARG A 49 4.340 10.788 -11.694 1.00 24.01 H new ATOM 0 HH11 ARG A 49 4.175 14.110 -10.515 1.00 54.12 H new ATOM 0 HH12 ARG A 49 3.206 14.671 -11.881 1.00 54.12 H new ATOM 0 HH21 ARG A 49 3.094 11.513 -13.445 1.00 72.21 H new ATOM 0 HH22 ARG A 49 2.596 13.205 -13.534 1.00 72.21 H new ATOM 692 N ASN A 50 5.332 15.245 -5.958 1.00 54.13 N ATOM 693 CA ASN A 50 5.505 16.637 -5.558 1.00 51.15 C ATOM 694 C ASN A 50 5.769 16.744 -4.060 1.00 33.11 C ATOM 695 O ASN A 50 4.951 17.258 -3.295 1.00 73.05 O ATOM 696 CB ASN A 50 4.266 17.453 -5.930 1.00 11.13 C ATOM 697 CG ASN A 50 3.690 17.051 -7.273 1.00 51.01 C ATOM 698 OD1 ASN A 50 4.119 17.545 -8.317 1.00 72.11 O ATOM 699 ND2 ASN A 50 2.713 16.152 -7.253 1.00 61.44 N ATOM 0 H ASN A 50 4.729 14.701 -5.341 1.00 54.13 H new ATOM 0 HA ASN A 50 6.368 17.038 -6.089 1.00 51.15 H new ATOM 0 HB2 ASN A 50 3.506 17.326 -5.159 1.00 11.13 H new ATOM 0 HB3 ASN A 50 4.525 18.512 -5.951 1.00 11.13 H new ATOM 0 HD21 ASN A 50 2.286 15.844 -8.126 1.00 61.44 H new ATOM 0 HD22 ASN A 50 2.390 15.770 -6.364 1.00 61.44 H new ATOM 706 N PRO A 51 6.937 16.248 -3.627 1.00 23.32 N ATOM 707 CA PRO A 51 7.336 16.277 -2.216 1.00 40.22 C ATOM 708 C PRO A 51 7.643 17.689 -1.729 1.00 63.12 C ATOM 709 O PRO A 51 7.840 17.915 -0.536 1.00 75.21 O ATOM 710 CB PRO A 51 8.599 15.415 -2.188 1.00 1.11 C ATOM 711 CG PRO A 51 9.148 15.501 -3.569 1.00 24.15 C ATOM 712 CD PRO A 51 7.959 15.621 -4.481 1.00 3.05 C ATOM 0 HA PRO A 51 6.543 15.917 -1.560 1.00 40.22 H new ATOM 0 HB2 PRO A 51 9.315 15.785 -1.454 1.00 1.11 H new ATOM 0 HB3 PRO A 51 8.369 14.385 -1.917 1.00 1.11 H new ATOM 0 HG2 PRO A 51 9.808 16.362 -3.673 1.00 24.15 H new ATOM 0 HG3 PRO A 51 9.737 14.616 -3.810 1.00 24.15 H new ATOM 0 HD2 PRO A 51 8.183 16.233 -5.355 1.00 3.05 H new ATOM 0 HD3 PRO A 51 7.634 14.647 -4.848 1.00 3.05 H new ATOM 720 N SER A 52 7.684 18.635 -2.661 1.00 71.24 N ATOM 721 CA SER A 52 7.970 20.026 -2.327 1.00 61.34 C ATOM 722 C SER A 52 6.695 20.763 -1.929 1.00 65.51 C ATOM 723 O SER A 52 6.719 21.654 -1.082 1.00 53.31 O ATOM 724 CB SER A 52 8.632 20.731 -3.513 1.00 4.22 C ATOM 725 OG SER A 52 9.485 21.774 -3.075 1.00 55.52 O ATOM 0 H SER A 52 7.523 18.464 -3.654 1.00 71.24 H new ATOM 0 HA SER A 52 8.654 20.037 -1.479 1.00 61.34 H new ATOM 0 HB2 SER A 52 9.205 20.009 -4.096 1.00 4.22 H new ATOM 0 HB3 SER A 52 7.865 21.137 -4.173 1.00 4.22 H new ATOM 0 HG SER A 52 9.897 22.207 -3.851 1.00 55.52 H new ATOM 731 N ASP A 53 5.582 20.385 -2.550 1.00 21.01 N ATOM 732 CA ASP A 53 4.296 21.008 -2.262 1.00 2.24 C ATOM 733 C ASP A 53 3.835 20.673 -0.845 1.00 64.21 C ATOM 734 O ASP A 53 3.566 19.515 -0.529 1.00 12.13 O ATOM 735 CB ASP A 53 3.245 20.552 -3.275 1.00 1.32 C ATOM 736 CG ASP A 53 2.260 21.651 -3.621 1.00 61.22 C ATOM 737 OD1 ASP A 53 2.153 22.620 -2.840 1.00 33.03 O ATOM 738 OD2 ASP A 53 1.598 21.543 -4.673 1.00 51.23 O ATOM 0 H ASP A 53 5.545 19.650 -3.256 1.00 21.01 H new ATOM 0 HA ASP A 53 4.418 22.088 -2.340 1.00 2.24 H new ATOM 0 HB2 ASP A 53 3.743 20.215 -4.184 1.00 1.32 H new ATOM 0 HB3 ASP A 53 2.703 19.696 -2.872 1.00 1.32 H new ATOM 743 N GLU A 54 3.748 21.695 0.001 1.00 64.11 N ATOM 744 CA GLU A 54 3.323 21.507 1.382 1.00 74.11 C ATOM 745 C GLU A 54 1.971 20.802 1.443 1.00 12.13 C ATOM 746 O GLU A 54 1.627 20.179 2.448 1.00 23.53 O ATOM 747 CB GLU A 54 3.241 22.856 2.102 1.00 33.32 C ATOM 748 CG GLU A 54 4.529 23.248 2.806 1.00 74.32 C ATOM 749 CD GLU A 54 4.685 24.751 2.941 1.00 22.50 C ATOM 750 OE1 GLU A 54 4.271 25.476 2.013 1.00 64.44 O ATOM 751 OE2 GLU A 54 5.220 25.200 3.976 1.00 62.14 O ATOM 0 H GLU A 54 3.966 22.660 -0.246 1.00 64.11 H new ATOM 0 HA GLU A 54 4.063 20.881 1.882 1.00 74.11 H new ATOM 0 HB2 GLU A 54 2.982 23.629 1.379 1.00 33.32 H new ATOM 0 HB3 GLU A 54 2.433 22.820 2.833 1.00 33.32 H new ATOM 0 HG2 GLU A 54 4.550 22.794 3.797 1.00 74.32 H new ATOM 0 HG3 GLU A 54 5.378 22.846 2.253 1.00 74.32 H new ATOM 758 N LYS A 55 1.206 20.909 0.362 1.00 21.42 N ATOM 759 CA LYS A 55 -0.109 20.281 0.290 1.00 54.20 C ATOM 760 C LYS A 55 0.007 18.762 0.352 1.00 44.44 C ATOM 761 O LYS A 55 -0.980 18.062 0.575 1.00 3.21 O ATOM 762 CB LYS A 55 -0.825 20.697 -0.997 1.00 43.42 C ATOM 763 CG LYS A 55 -0.132 20.219 -2.261 1.00 5.24 C ATOM 764 CD LYS A 55 -0.808 18.984 -2.835 1.00 1.43 C ATOM 765 CE LYS A 55 -1.356 19.248 -4.229 1.00 44.55 C ATOM 766 NZ LYS A 55 -0.305 19.102 -5.274 1.00 64.21 N ATOM 0 H LYS A 55 1.474 21.425 -0.476 1.00 21.42 H new ATOM 0 HA LYS A 55 -0.691 20.617 1.148 1.00 54.20 H new ATOM 0 HB2 LYS A 55 -1.842 20.305 -0.980 1.00 43.42 H new ATOM 0 HB3 LYS A 55 -0.903 21.784 -1.024 1.00 43.42 H new ATOM 0 HG2 LYS A 55 -0.138 21.017 -3.004 1.00 5.24 H new ATOM 0 HG3 LYS A 55 0.912 19.995 -2.042 1.00 5.24 H new ATOM 0 HD2 LYS A 55 -0.094 18.161 -2.873 1.00 1.43 H new ATOM 0 HD3 LYS A 55 -1.619 18.672 -2.177 1.00 1.43 H new ATOM 0 HE2 LYS A 55 -2.172 18.556 -4.436 1.00 44.55 H new ATOM 0 HE3 LYS A 55 -1.773 20.254 -4.271 1.00 44.55 H new ATOM 0 HZ1 LYS A 55 -0.742 19.155 -6.216 1.00 64.21 H new ATOM 0 HZ2 LYS A 55 0.394 19.866 -5.173 1.00 64.21 H new ATOM 0 HZ3 LYS A 55 0.169 18.183 -5.164 1.00 64.21 H new ATOM 780 N TYR A 56 1.221 18.259 0.156 1.00 64.24 N ATOM 781 CA TYR A 56 1.467 16.821 0.187 1.00 61.35 C ATOM 782 C TYR A 56 1.444 16.297 1.619 1.00 54.34 C ATOM 783 O TYR A 56 1.496 15.089 1.850 1.00 32.33 O ATOM 784 CB TYR A 56 2.813 16.499 -0.465 1.00 74.31 C ATOM 785 CG TYR A 56 3.966 16.469 0.512 1.00 3.01 C ATOM 786 CD1 TYR A 56 4.167 17.507 1.414 1.00 61.13 C ATOM 787 CD2 TYR A 56 4.856 15.402 0.534 1.00 2.32 C ATOM 788 CE1 TYR A 56 5.221 17.485 2.307 1.00 54.52 C ATOM 789 CE2 TYR A 56 5.913 15.371 1.425 1.00 60.42 C ATOM 790 CZ TYR A 56 6.090 16.415 2.309 1.00 63.12 C ATOM 791 OH TYR A 56 7.140 16.388 3.198 1.00 33.22 O ATOM 0 H TYR A 56 2.050 18.825 -0.026 1.00 64.24 H new ATOM 0 HA TYR A 56 0.673 16.329 -0.374 1.00 61.35 H new ATOM 0 HB2 TYR A 56 2.744 15.532 -0.963 1.00 74.31 H new ATOM 0 HB3 TYR A 56 3.020 17.241 -1.236 1.00 74.31 H new ATOM 0 HD1 TYR A 56 3.487 18.346 1.417 1.00 61.13 H new ATOM 0 HD2 TYR A 56 4.720 14.583 -0.157 1.00 2.32 H new ATOM 0 HE1 TYR A 56 5.363 18.301 3.000 1.00 54.52 H new ATOM 0 HE2 TYR A 56 6.596 14.534 1.429 1.00 60.42 H new ATOM 0 HH TYR A 56 7.656 15.565 3.070 1.00 33.22 H new ATOM 801 N ARG A 57 1.364 17.214 2.577 1.00 3.34 N ATOM 802 CA ARG A 57 1.334 16.845 3.988 1.00 54.51 C ATOM 803 C ARG A 57 -0.071 16.431 4.411 1.00 22.21 C ATOM 804 O ARG A 57 -0.313 16.119 5.577 1.00 4.43 O ATOM 805 CB ARG A 57 1.815 18.012 4.851 1.00 14.44 C ATOM 806 CG ARG A 57 3.309 18.275 4.745 1.00 22.40 C ATOM 807 CD ARG A 57 3.798 19.175 5.870 1.00 72.12 C ATOM 808 NE ARG A 57 5.253 19.309 5.869 1.00 32.33 N ATOM 809 CZ ARG A 57 5.898 20.300 6.472 1.00 42.20 C ATOM 810 NH1 ARG A 57 5.224 21.239 7.120 1.00 1.22 N ATOM 811 NH2 ARG A 57 7.224 20.353 6.428 1.00 53.14 N ATOM 0 H ARG A 57 1.319 18.218 2.403 1.00 3.34 H new ATOM 0 HA ARG A 57 2.003 15.996 4.131 1.00 54.51 H new ATOM 0 HB2 ARG A 57 1.275 18.913 4.561 1.00 14.44 H new ATOM 0 HB3 ARG A 57 1.563 17.810 5.892 1.00 14.44 H new ATOM 0 HG2 ARG A 57 3.849 17.329 4.774 1.00 22.40 H new ATOM 0 HG3 ARG A 57 3.531 18.739 3.784 1.00 22.40 H new ATOM 0 HD2 ARG A 57 3.343 20.160 5.770 1.00 72.12 H new ATOM 0 HD3 ARG A 57 3.472 18.769 6.827 1.00 72.12 H new ATOM 0 HE ARG A 57 5.802 18.603 5.379 1.00 32.33 H new ATOM 0 HH11 ARG A 57 4.205 21.202 7.157 1.00 1.22 H new ATOM 0 HH12 ARG A 57 5.724 21.999 7.582 1.00 1.22 H new ATOM 0 HH21 ARG A 57 7.747 19.632 5.931 1.00 53.14 H new ATOM 0 HH22 ARG A 57 7.720 21.115 6.891 1.00 53.14 H new ATOM 825 N SER A 58 -0.995 16.429 3.456 1.00 60.32 N ATOM 826 CA SER A 58 -2.379 16.056 3.730 1.00 12.42 C ATOM 827 C SER A 58 -2.992 15.328 2.538 1.00 51.12 C ATOM 828 O SER A 58 -2.680 15.630 1.386 1.00 41.32 O ATOM 829 CB SER A 58 -3.207 17.298 4.066 1.00 62.23 C ATOM 830 OG SER A 58 -3.839 17.818 2.908 1.00 14.04 O ATOM 0 H SER A 58 -0.811 16.681 2.485 1.00 60.32 H new ATOM 0 HA SER A 58 -2.385 15.382 4.586 1.00 12.42 H new ATOM 0 HB2 SER A 58 -3.960 17.046 4.813 1.00 62.23 H new ATOM 0 HB3 SER A 58 -2.564 18.060 4.506 1.00 62.23 H new ATOM 0 HG SER A 58 -4.363 18.610 3.149 1.00 14.04 H new ATOM 836 N ILE A 59 -3.866 14.369 2.824 1.00 43.03 N ATOM 837 CA ILE A 59 -4.524 13.599 1.775 1.00 12.51 C ATOM 838 C ILE A 59 -6.017 13.453 2.056 1.00 3.22 C ATOM 839 O ILE A 59 -6.415 12.824 3.037 1.00 70.10 O ATOM 840 CB ILE A 59 -3.901 12.198 1.632 1.00 61.25 C ATOM 841 CG1 ILE A 59 -3.558 11.624 3.007 1.00 75.54 C ATOM 842 CG2 ILE A 59 -2.661 12.259 0.752 1.00 3.13 C ATOM 843 CD1 ILE A 59 -2.971 10.230 2.950 1.00 20.12 C ATOM 0 H ILE A 59 -4.135 14.107 3.772 1.00 43.03 H new ATOM 0 HA ILE A 59 -4.383 14.147 0.844 1.00 12.51 H new ATOM 0 HB ILE A 59 -4.629 11.539 1.158 1.00 61.25 H new ATOM 0 HG12 ILE A 59 -2.850 12.288 3.503 1.00 75.54 H new ATOM 0 HG13 ILE A 59 -4.460 11.605 3.619 1.00 75.54 H new ATOM 0 HG21 ILE A 59 -2.231 11.262 0.660 1.00 3.13 H new ATOM 0 HG22 ILE A 59 -2.934 12.629 -0.236 1.00 3.13 H new ATOM 0 HG23 ILE A 59 -1.929 12.930 1.201 1.00 3.13 H new ATOM 0 HD11 ILE A 59 -2.752 9.886 3.961 1.00 20.12 H new ATOM 0 HD12 ILE A 59 -3.686 9.553 2.483 1.00 20.12 H new ATOM 0 HD13 ILE A 59 -2.052 10.246 2.365 1.00 20.12 H new ATOM 855 N ARG A 60 -6.836 14.037 1.188 1.00 65.11 N ATOM 856 CA ARG A 60 -8.283 13.971 1.341 1.00 53.13 C ATOM 857 C ARG A 60 -8.802 12.574 1.012 1.00 52.12 C ATOM 858 O ARG A 60 -8.507 12.026 -0.050 1.00 73.24 O ATOM 859 CB ARG A 60 -8.961 15.004 0.439 1.00 41.43 C ATOM 860 CG ARG A 60 -8.745 14.751 -1.045 1.00 12.14 C ATOM 861 CD ARG A 60 -8.303 16.014 -1.767 1.00 75.12 C ATOM 862 NE ARG A 60 -9.153 17.157 -1.440 1.00 3.02 N ATOM 863 CZ ARG A 60 -8.859 18.409 -1.773 1.00 53.20 C ATOM 864 NH1 ARG A 60 -7.745 18.678 -2.439 1.00 75.24 N ATOM 865 NH2 ARG A 60 -9.682 19.396 -1.438 1.00 23.51 N ATOM 0 H ARG A 60 -6.522 14.561 0.371 1.00 65.11 H new ATOM 0 HA ARG A 60 -8.523 14.194 2.381 1.00 53.13 H new ATOM 0 HB2 ARG A 60 -10.031 15.009 0.646 1.00 41.43 H new ATOM 0 HB3 ARG A 60 -8.584 15.996 0.689 1.00 41.43 H new ATOM 0 HG2 ARG A 60 -7.993 13.973 -1.177 1.00 12.14 H new ATOM 0 HG3 ARG A 60 -9.668 14.380 -1.490 1.00 12.14 H new ATOM 0 HD2 ARG A 60 -7.271 16.242 -1.501 1.00 75.12 H new ATOM 0 HD3 ARG A 60 -8.324 15.843 -2.843 1.00 75.12 H new ATOM 0 HE ARG A 60 -10.018 16.984 -0.929 1.00 3.02 H new ATOM 0 HH11 ARG A 60 -7.110 17.923 -2.697 1.00 75.24 H new ATOM 0 HH12 ARG A 60 -7.522 19.640 -2.693 1.00 75.24 H new ATOM 0 HH21 ARG A 60 -10.540 19.193 -0.925 1.00 23.51 H new ATOM 0 HH22 ARG A 60 -9.456 20.357 -1.694 1.00 23.51 H new ATOM 879 N ILE A 61 -9.576 12.005 1.930 1.00 53.34 N ATOM 880 CA ILE A 61 -10.136 10.673 1.738 1.00 64.13 C ATOM 881 C ILE A 61 -11.579 10.608 2.224 1.00 65.32 C ATOM 882 O ILE A 61 -11.903 9.856 3.142 1.00 14.23 O ATOM 883 CB ILE A 61 -9.309 9.603 2.474 1.00 4.23 C ATOM 884 CG1 ILE A 61 -9.136 9.984 3.946 1.00 31.34 C ATOM 885 CG2 ILE A 61 -7.953 9.425 1.805 1.00 54.24 C ATOM 886 CD1 ILE A 61 -9.637 8.926 4.906 1.00 2.41 C ATOM 0 H ILE A 61 -9.830 12.446 2.814 1.00 53.34 H new ATOM 0 HA ILE A 61 -10.107 10.470 0.667 1.00 64.13 H new ATOM 0 HB ILE A 61 -9.844 8.655 2.423 1.00 4.23 H new ATOM 0 HG12 ILE A 61 -8.080 10.172 4.143 1.00 31.34 H new ATOM 0 HG13 ILE A 61 -9.667 10.917 4.137 1.00 31.34 H new ATOM 0 HG21 ILE A 61 -7.381 8.665 2.338 1.00 54.24 H new ATOM 0 HG22 ILE A 61 -8.096 9.113 0.771 1.00 54.24 H new ATOM 0 HG23 ILE A 61 -7.410 10.370 1.827 1.00 54.24 H new ATOM 0 HD11 ILE A 61 -9.483 9.263 5.931 1.00 2.41 H new ATOM 0 HD12 ILE A 61 -10.700 8.755 4.736 1.00 2.41 H new ATOM 0 HD13 ILE A 61 -9.089 7.998 4.743 1.00 2.41 H new ATOM 898 N GLY A 62 -12.446 11.400 1.599 1.00 64.10 N ATOM 899 CA GLY A 62 -13.846 11.416 1.980 1.00 3.53 C ATOM 900 C GLY A 62 -14.688 10.485 1.131 1.00 14.11 C ATOM 901 O GLY A 62 -15.880 10.313 1.383 1.00 1.33 O ATOM 0 H GLY A 62 -12.203 12.031 0.835 1.00 64.10 H new ATOM 0 HA2 GLY A 62 -13.938 11.130 3.028 1.00 3.53 H new ATOM 0 HA3 GLY A 62 -14.232 12.432 1.892 1.00 3.53 H new ATOM 905 N ASN A 63 -14.067 9.884 0.121 1.00 52.21 N ATOM 906 CA ASN A 63 -14.770 8.967 -0.769 1.00 24.11 C ATOM 907 C ASN A 63 -15.510 7.896 0.026 1.00 14.13 C ATOM 908 O ASN A 63 -14.965 7.316 0.967 1.00 62.52 O ATOM 909 CB ASN A 63 -13.784 8.308 -1.737 1.00 43.44 C ATOM 910 CG ASN A 63 -13.356 9.244 -2.852 1.00 72.21 C ATOM 911 OD1 ASN A 63 -14.193 9.838 -3.533 1.00 2.01 O ATOM 912 ND2 ASN A 63 -12.050 9.377 -3.043 1.00 23.14 N ATOM 0 H ASN A 63 -13.080 10.015 -0.101 1.00 52.21 H new ATOM 0 HA ASN A 63 -15.501 9.542 -1.338 1.00 24.11 H new ATOM 0 HB2 ASN A 63 -12.904 7.977 -1.186 1.00 43.44 H new ATOM 0 HB3 ASN A 63 -14.242 7.418 -2.169 1.00 43.44 H new ATOM 0 HD21 ASN A 63 -11.702 9.992 -3.779 1.00 23.14 H new ATOM 0 HD22 ASN A 63 -11.394 8.865 -2.454 1.00 23.14 H new ATOM 919 N THR A 64 -16.756 7.637 -0.357 1.00 74.35 N ATOM 920 CA THR A 64 -17.572 6.638 0.320 1.00 30.21 C ATOM 921 C THR A 64 -16.935 5.256 0.232 1.00 65.40 C ATOM 922 O THR A 64 -17.075 4.437 1.141 1.00 52.52 O ATOM 923 CB THR A 64 -18.992 6.573 -0.277 1.00 20.14 C ATOM 924 OG1 THR A 64 -19.032 7.279 -1.521 1.00 75.00 O ATOM 925 CG2 THR A 64 -20.009 7.170 0.684 1.00 25.11 C ATOM 0 H THR A 64 -17.222 8.106 -1.134 1.00 74.35 H new ATOM 0 HA THR A 64 -17.638 6.940 1.365 1.00 30.21 H new ATOM 0 HB THR A 64 -19.245 5.526 -0.446 1.00 20.14 H new ATOM 0 HG1 THR A 64 -19.937 7.232 -1.895 1.00 75.00 H new ATOM 0 HG21 THR A 64 -21.004 7.114 0.242 1.00 25.11 H new ATOM 0 HG22 THR A 64 -19.996 6.612 1.620 1.00 25.11 H new ATOM 0 HG23 THR A 64 -19.757 8.212 0.879 1.00 25.11 H new ATOM 933 N ALA A 65 -16.233 5.001 -0.869 1.00 51.41 N ATOM 934 CA ALA A 65 -15.571 3.719 -1.074 1.00 10.33 C ATOM 935 C ALA A 65 -14.553 3.444 0.028 1.00 34.33 C ATOM 936 O ALA A 65 -14.335 2.295 0.413 1.00 3.23 O ATOM 937 CB ALA A 65 -14.897 3.685 -2.436 1.00 25.20 C ATOM 0 H ALA A 65 -16.109 5.666 -1.632 1.00 51.41 H new ATOM 0 HA ALA A 65 -16.329 2.937 -1.036 1.00 10.33 H new ATOM 0 HB1 ALA A 65 -14.407 2.722 -2.575 1.00 25.20 H new ATOM 0 HB2 ALA A 65 -15.645 3.828 -3.216 1.00 25.20 H new ATOM 0 HB3 ALA A 65 -14.155 4.482 -2.495 1.00 25.20 H new ATOM 943 N PHE A 66 -13.934 4.506 0.535 1.00 73.41 N ATOM 944 CA PHE A 66 -12.939 4.378 1.592 1.00 23.12 C ATOM 945 C PHE A 66 -13.566 3.822 2.867 1.00 74.35 C ATOM 946 O PHE A 66 -13.011 2.929 3.507 1.00 22.13 O ATOM 947 CB PHE A 66 -12.293 5.735 1.879 1.00 5.04 C ATOM 948 CG PHE A 66 -11.500 5.764 3.155 1.00 33.25 C ATOM 949 CD1 PHE A 66 -12.115 6.055 4.362 1.00 50.13 C ATOM 950 CD2 PHE A 66 -10.140 5.500 3.148 1.00 32.34 C ATOM 951 CE1 PHE A 66 -11.391 6.082 5.538 1.00 60.02 C ATOM 952 CE2 PHE A 66 -9.410 5.524 4.321 1.00 1.12 C ATOM 953 CZ PHE A 66 -10.035 5.818 5.517 1.00 63.20 C ATOM 0 H PHE A 66 -14.105 5.464 0.230 1.00 73.41 H new ATOM 0 HA PHE A 66 -12.173 3.681 1.252 1.00 23.12 H new ATOM 0 HB2 PHE A 66 -11.639 6.000 1.048 1.00 5.04 H new ATOM 0 HB3 PHE A 66 -13.072 6.496 1.927 1.00 5.04 H new ATOM 0 HD1 PHE A 66 -13.174 6.263 4.384 1.00 50.13 H new ATOM 0 HD2 PHE A 66 -9.645 5.273 2.215 1.00 32.34 H new ATOM 0 HE1 PHE A 66 -11.884 6.309 6.472 1.00 60.02 H new ATOM 0 HE2 PHE A 66 -8.351 5.313 4.303 1.00 1.12 H new ATOM 0 HZ PHE A 66 -9.465 5.841 6.434 1.00 63.20 H new ATOM 963 N SER A 67 -14.728 4.357 3.228 1.00 34.41 N ATOM 964 CA SER A 67 -15.431 3.917 4.429 1.00 71.14 C ATOM 965 C SER A 67 -16.040 2.533 4.225 1.00 11.11 C ATOM 966 O SER A 67 -16.326 1.819 5.188 1.00 22.41 O ATOM 967 CB SER A 67 -16.526 4.919 4.799 1.00 53.35 C ATOM 968 OG SER A 67 -17.066 4.634 6.078 1.00 54.55 O ATOM 0 H SER A 67 -15.203 5.095 2.707 1.00 34.41 H new ATOM 0 HA SER A 67 -14.709 3.861 5.244 1.00 71.14 H new ATOM 0 HB2 SER A 67 -16.117 5.929 4.790 1.00 53.35 H new ATOM 0 HB3 SER A 67 -17.318 4.889 4.051 1.00 53.35 H new ATOM 0 HG SER A 67 -17.763 5.289 6.292 1.00 54.55 H new ATOM 974 N THR A 68 -16.238 2.160 2.964 1.00 1.04 N ATOM 975 CA THR A 68 -16.814 0.862 2.633 1.00 11.42 C ATOM 976 C THR A 68 -15.743 -0.221 2.595 1.00 41.11 C ATOM 977 O THR A 68 -15.981 -1.358 3.004 1.00 71.34 O ATOM 978 CB THR A 68 -17.538 0.901 1.275 1.00 43.02 C ATOM 979 OG1 THR A 68 -16.591 1.094 0.219 1.00 61.14 O ATOM 980 CG2 THR A 68 -18.574 2.015 1.243 1.00 15.45 C ATOM 0 H THR A 68 -16.008 2.738 2.156 1.00 1.04 H new ATOM 0 HA THR A 68 -17.536 0.627 3.415 1.00 11.42 H new ATOM 0 HB THR A 68 -18.049 -0.052 1.135 1.00 43.02 H new ATOM 0 HG1 THR A 68 -15.815 1.584 0.561 1.00 61.14 H new ATOM 0 HG21 THR A 68 -19.071 2.021 0.273 1.00 15.45 H new ATOM 0 HG22 THR A 68 -19.312 1.849 2.028 1.00 15.45 H new ATOM 0 HG23 THR A 68 -18.082 2.974 1.405 1.00 15.45 H new ATOM 988 N ARG A 69 -14.562 0.137 2.102 1.00 45.55 N ATOM 989 CA ARG A 69 -13.453 -0.805 2.011 1.00 73.24 C ATOM 990 C ARG A 69 -12.115 -0.083 2.120 1.00 32.01 C ATOM 991 O ARG A 69 -11.491 0.248 1.110 1.00 13.21 O ATOM 992 CB ARG A 69 -13.521 -1.579 0.691 1.00 55.12 C ATOM 993 CG ARG A 69 -12.599 -2.786 0.644 1.00 52.42 C ATOM 994 CD ARG A 69 -11.275 -2.450 -0.022 1.00 21.10 C ATOM 995 NE ARG A 69 -10.660 -3.622 -0.638 1.00 24.13 N ATOM 996 CZ ARG A 69 -11.150 -4.232 -1.712 1.00 54.14 C ATOM 997 NH1 ARG A 69 -12.258 -3.781 -2.286 1.00 1.50 N ATOM 998 NH2 ARG A 69 -10.533 -5.293 -2.214 1.00 31.40 N ATOM 0 H ARG A 69 -14.348 1.074 1.759 1.00 45.55 H new ATOM 0 HA ARG A 69 -13.536 -1.506 2.841 1.00 73.24 H new ATOM 0 HB2 ARG A 69 -14.547 -1.909 0.526 1.00 55.12 H new ATOM 0 HB3 ARG A 69 -13.267 -0.906 -0.128 1.00 55.12 H new ATOM 0 HG2 ARG A 69 -12.417 -3.146 1.657 1.00 52.42 H new ATOM 0 HG3 ARG A 69 -13.086 -3.596 0.101 1.00 52.42 H new ATOM 0 HD2 ARG A 69 -11.435 -1.684 -0.780 1.00 21.10 H new ATOM 0 HD3 ARG A 69 -10.594 -2.029 0.717 1.00 21.10 H new ATOM 0 HE ARG A 69 -9.807 -3.993 -0.221 1.00 24.13 H new ATOM 0 HH11 ARG A 69 -12.735 -2.965 -1.903 1.00 1.50 H new ATOM 0 HH12 ARG A 69 -12.633 -4.250 -3.110 1.00 1.50 H new ATOM 0 HH21 ARG A 69 -9.681 -5.642 -1.776 1.00 31.40 H new ATOM 0 HH22 ARG A 69 -10.911 -5.760 -3.038 1.00 31.40 H new ATOM 1012 N LEU A 70 -11.679 0.159 3.350 1.00 12.15 N ATOM 1013 CA LEU A 70 -10.412 0.843 3.595 1.00 50.03 C ATOM 1014 C LEU A 70 -10.209 1.098 5.084 1.00 14.25 C ATOM 1015 O LEU A 70 -9.092 1.004 5.594 1.00 4.01 O ATOM 1016 CB LEU A 70 -10.371 2.166 2.828 1.00 54.42 C ATOM 1017 CG LEU A 70 -9.175 2.364 1.896 1.00 73.02 C ATOM 1018 CD1 LEU A 70 -9.602 3.080 0.625 1.00 64.01 C ATOM 1019 CD2 LEU A 70 -8.072 3.140 2.601 1.00 5.44 C ATOM 0 H LEU A 70 -12.184 -0.108 4.195 1.00 12.15 H new ATOM 0 HA LEU A 70 -9.605 0.200 3.244 1.00 50.03 H new ATOM 0 HB2 LEU A 70 -11.284 2.249 2.238 1.00 54.42 H new ATOM 0 HB3 LEU A 70 -10.383 2.982 3.550 1.00 54.42 H new ATOM 0 HG LEU A 70 -8.785 1.383 1.623 1.00 73.02 H new ATOM 0 HD11 LEU A 70 -8.738 3.212 -0.026 1.00 64.01 H new ATOM 0 HD12 LEU A 70 -10.357 2.487 0.110 1.00 64.01 H new ATOM 0 HD13 LEU A 70 -10.017 4.055 0.879 1.00 64.01 H new ATOM 0 HD21 LEU A 70 -7.229 3.271 1.923 1.00 5.44 H new ATOM 0 HD22 LEU A 70 -8.450 4.117 2.903 1.00 5.44 H new ATOM 0 HD23 LEU A 70 -7.746 2.589 3.483 1.00 5.44 H new ATOM 1031 N LEU A 71 -11.295 1.419 5.778 1.00 51.11 N ATOM 1032 CA LEU A 71 -11.236 1.685 7.211 1.00 1.21 C ATOM 1033 C LEU A 71 -11.333 0.390 8.011 1.00 4.32 C ATOM 1034 O LEU A 71 -10.422 0.020 8.752 1.00 33.15 O ATOM 1035 CB LEU A 71 -12.364 2.635 7.620 1.00 72.14 C ATOM 1036 CG LEU A 71 -11.931 3.985 8.190 1.00 1.41 C ATOM 1037 CD1 LEU A 71 -13.118 4.930 8.288 1.00 62.32 C ATOM 1038 CD2 LEU A 71 -11.277 3.805 9.551 1.00 12.43 C ATOM 0 H LEU A 71 -12.227 1.501 5.372 1.00 51.11 H new ATOM 0 HA LEU A 71 -10.276 2.154 7.429 1.00 1.21 H new ATOM 0 HB2 LEU A 71 -12.993 2.816 6.749 1.00 72.14 H new ATOM 0 HB3 LEU A 71 -12.984 2.132 8.362 1.00 72.14 H new ATOM 0 HG LEU A 71 -11.199 4.424 7.513 1.00 1.41 H new ATOM 0 HD11 LEU A 71 -12.789 5.886 8.696 1.00 62.32 H new ATOM 0 HD12 LEU A 71 -13.542 5.085 7.296 1.00 62.32 H new ATOM 0 HD13 LEU A 71 -13.875 4.497 8.942 1.00 62.32 H new ATOM 0 HD21 LEU A 71 -10.975 4.777 9.941 1.00 12.43 H new ATOM 0 HD22 LEU A 71 -11.987 3.343 10.237 1.00 12.43 H new ATOM 0 HD23 LEU A 71 -10.400 3.166 9.451 1.00 12.43 H new ATOM 1050 N PRO A 72 -12.460 -0.319 7.855 1.00 71.33 N ATOM 1051 CA PRO A 72 -12.701 -1.588 8.552 1.00 41.35 C ATOM 1052 C PRO A 72 -11.807 -2.709 8.037 1.00 30.45 C ATOM 1053 O PRO A 72 -11.796 -3.811 8.589 1.00 42.22 O ATOM 1054 CB PRO A 72 -14.170 -1.888 8.243 1.00 2.20 C ATOM 1055 CG PRO A 72 -14.441 -1.177 6.962 1.00 0.41 C ATOM 1056 CD PRO A 72 -13.587 0.061 6.986 1.00 35.45 C ATOM 0 HA PRO A 72 -12.482 -1.517 9.617 1.00 41.35 H new ATOM 0 HB2 PRO A 72 -14.343 -2.960 8.145 1.00 2.20 H new ATOM 0 HB3 PRO A 72 -14.823 -1.531 9.040 1.00 2.20 H new ATOM 0 HG2 PRO A 72 -14.193 -1.806 6.107 1.00 0.41 H new ATOM 0 HG3 PRO A 72 -15.497 -0.921 6.874 1.00 0.41 H new ATOM 0 HD2 PRO A 72 -13.249 0.336 5.987 1.00 35.45 H new ATOM 0 HD3 PRO A 72 -14.131 0.917 7.385 1.00 35.45 H new ATOM 1064 N VAL A 73 -11.059 -2.426 6.975 1.00 11.14 N ATOM 1065 CA VAL A 73 -10.161 -3.412 6.387 1.00 12.25 C ATOM 1066 C VAL A 73 -8.972 -3.687 7.301 1.00 43.24 C ATOM 1067 O VAL A 73 -8.364 -2.763 7.841 1.00 2.02 O ATOM 1068 CB VAL A 73 -9.641 -2.948 5.013 1.00 72.13 C ATOM 1069 CG1 VAL A 73 -8.655 -1.802 5.174 1.00 32.25 C ATOM 1070 CG2 VAL A 73 -9.004 -4.111 4.266 1.00 60.25 C ATOM 0 H VAL A 73 -11.058 -1.521 6.504 1.00 11.14 H new ATOM 0 HA VAL A 73 -10.737 -4.328 6.259 1.00 12.25 H new ATOM 0 HB VAL A 73 -10.486 -2.587 4.426 1.00 72.13 H new ATOM 0 HG11 VAL A 73 -8.299 -1.488 4.193 1.00 32.25 H new ATOM 0 HG12 VAL A 73 -9.148 -0.964 5.666 1.00 32.25 H new ATOM 0 HG13 VAL A 73 -7.810 -2.131 5.779 1.00 32.25 H new ATOM 0 HG21 VAL A 73 -8.642 -3.767 3.297 1.00 60.25 H new ATOM 0 HG22 VAL A 73 -8.169 -4.503 4.847 1.00 60.25 H new ATOM 0 HG23 VAL A 73 -9.744 -4.897 4.118 1.00 60.25 H new ATOM 1080 N ARG A 74 -8.646 -4.965 7.471 1.00 44.44 N ATOM 1081 CA ARG A 74 -7.530 -5.363 8.320 1.00 51.45 C ATOM 1082 C ARG A 74 -6.224 -5.372 7.531 1.00 24.11 C ATOM 1083 O ARG A 74 -6.006 -6.231 6.679 1.00 61.23 O ATOM 1084 CB ARG A 74 -7.786 -6.746 8.919 1.00 74.14 C ATOM 1085 CG ARG A 74 -7.439 -6.843 10.395 1.00 12.25 C ATOM 1086 CD ARG A 74 -5.945 -7.034 10.606 1.00 3.43 C ATOM 1087 NE ARG A 74 -5.615 -7.276 12.008 1.00 72.53 N ATOM 1088 CZ ARG A 74 -4.372 -7.342 12.471 1.00 62.42 C ATOM 1089 NH1 ARG A 74 -3.346 -7.185 11.646 1.00 24.24 N ATOM 1090 NH2 ARG A 74 -4.153 -7.566 13.760 1.00 43.31 N ATOM 0 H ARG A 74 -9.139 -5.742 7.032 1.00 44.44 H new ATOM 0 HA ARG A 74 -7.442 -4.636 9.127 1.00 51.45 H new ATOM 0 HB2 ARG A 74 -8.837 -7.003 8.784 1.00 74.14 H new ATOM 0 HB3 ARG A 74 -7.204 -7.485 8.368 1.00 74.14 H new ATOM 0 HG2 ARG A 74 -7.767 -5.938 10.907 1.00 12.25 H new ATOM 0 HG3 ARG A 74 -7.980 -7.677 10.843 1.00 12.25 H new ATOM 0 HD2 ARG A 74 -5.598 -7.873 10.002 1.00 3.43 H new ATOM 0 HD3 ARG A 74 -5.414 -6.149 10.257 1.00 3.43 H new ATOM 0 HE ARG A 74 -6.382 -7.401 12.668 1.00 72.53 H new ATOM 0 HH11 ARG A 74 -3.511 -7.013 10.654 1.00 24.24 H new ATOM 0 HH12 ARG A 74 -2.392 -7.236 12.003 1.00 24.24 H new ATOM 0 HH21 ARG A 74 -4.940 -7.688 14.397 1.00 43.31 H new ATOM 0 HH22 ARG A 74 -3.198 -7.616 14.114 1.00 43.31 H new ATOM 1104 N GLY A 75 -5.355 -4.408 7.823 1.00 73.34 N ATOM 1105 CA GLY A 75 -4.081 -4.323 7.133 1.00 53.33 C ATOM 1106 C GLY A 75 -3.769 -2.916 6.662 1.00 71.11 C ATOM 1107 O GLY A 75 -2.638 -2.448 6.787 1.00 33.55 O ATOM 0 H GLY A 75 -5.511 -3.685 8.525 1.00 73.34 H new ATOM 0 HA2 GLY A 75 -3.288 -4.664 7.798 1.00 53.33 H new ATOM 0 HA3 GLY A 75 -4.090 -4.996 6.276 1.00 53.33 H new ATOM 1111 N ALA A 76 -4.776 -2.240 6.117 1.00 45.24 N ATOM 1112 CA ALA A 76 -4.604 -0.877 5.626 1.00 74.32 C ATOM 1113 C ALA A 76 -4.376 0.096 6.778 1.00 74.24 C ATOM 1114 O ALA A 76 -3.425 0.877 6.764 1.00 20.11 O ATOM 1115 CB ALA A 76 -5.814 -0.456 4.806 1.00 41.41 C ATOM 0 H ALA A 76 -5.718 -2.613 6.004 1.00 45.24 H new ATOM 0 HA ALA A 76 -3.721 -0.854 4.987 1.00 74.32 H new ATOM 0 HB1 ALA A 76 -5.673 0.563 4.446 1.00 41.41 H new ATOM 0 HB2 ALA A 76 -5.929 -1.129 3.956 1.00 41.41 H new ATOM 0 HB3 ALA A 76 -6.708 -0.500 5.428 1.00 41.41 H new ATOM 1121 N VAL A 77 -5.256 0.045 7.772 1.00 62.31 N ATOM 1122 CA VAL A 77 -5.151 0.923 8.931 1.00 10.34 C ATOM 1123 C VAL A 77 -3.817 0.733 9.645 1.00 1.11 C ATOM 1124 O VAL A 77 -3.160 1.703 10.022 1.00 53.11 O ATOM 1125 CB VAL A 77 -6.295 0.673 9.932 1.00 41.14 C ATOM 1126 CG1 VAL A 77 -6.284 1.723 11.031 1.00 43.24 C ATOM 1127 CG2 VAL A 77 -7.635 0.657 9.213 1.00 62.53 C ATOM 0 H VAL A 77 -6.050 -0.595 7.798 1.00 62.31 H new ATOM 0 HA VAL A 77 -5.220 1.945 8.560 1.00 10.34 H new ATOM 0 HB VAL A 77 -6.143 -0.302 10.394 1.00 41.14 H new ATOM 0 HG11 VAL A 77 -7.099 1.529 11.728 1.00 43.24 H new ATOM 0 HG12 VAL A 77 -5.334 1.682 11.564 1.00 43.24 H new ATOM 0 HG13 VAL A 77 -6.411 2.712 10.591 1.00 43.24 H new ATOM 0 HG21 VAL A 77 -8.433 0.479 9.934 1.00 62.53 H new ATOM 0 HG22 VAL A 77 -7.796 1.617 8.723 1.00 62.53 H new ATOM 0 HG23 VAL A 77 -7.638 -0.137 8.466 1.00 62.53 H new ATOM 1137 N GLU A 78 -3.423 -0.523 9.828 1.00 64.40 N ATOM 1138 CA GLU A 78 -2.166 -0.841 10.497 1.00 55.33 C ATOM 1139 C GLU A 78 -0.974 -0.399 9.653 1.00 75.32 C ATOM 1140 O GLU A 78 0.078 -0.043 10.185 1.00 71.52 O ATOM 1141 CB GLU A 78 -2.078 -2.342 10.780 1.00 60.22 C ATOM 1142 CG GLU A 78 -0.734 -2.777 11.339 1.00 52.01 C ATOM 1143 CD GLU A 78 -0.807 -4.108 12.061 1.00 60.52 C ATOM 1144 OE1 GLU A 78 -1.340 -4.145 13.190 1.00 62.45 O ATOM 1145 OE2 GLU A 78 -0.331 -5.116 11.495 1.00 2.54 O ATOM 0 H GLU A 78 -3.956 -1.337 9.523 1.00 64.40 H new ATOM 0 HA GLU A 78 -2.140 -0.299 11.443 1.00 55.33 H new ATOM 0 HB2 GLU A 78 -2.862 -2.617 11.486 1.00 60.22 H new ATOM 0 HB3 GLU A 78 -2.273 -2.889 9.858 1.00 60.22 H new ATOM 0 HG2 GLU A 78 -0.012 -2.848 10.526 1.00 52.01 H new ATOM 0 HG3 GLU A 78 -0.366 -2.015 12.026 1.00 52.01 H new ATOM 1152 N CYS A 79 -1.148 -0.424 8.336 1.00 3.24 N ATOM 1153 CA CYS A 79 -0.087 -0.028 7.418 1.00 43.41 C ATOM 1154 C CYS A 79 0.229 1.458 7.559 1.00 1.42 C ATOM 1155 O CYS A 79 1.389 1.845 7.713 1.00 34.45 O ATOM 1156 CB CYS A 79 -0.487 -0.341 5.976 1.00 21.41 C ATOM 1157 SG CYS A 79 0.711 0.210 4.740 1.00 44.22 S ATOM 0 H CYS A 79 -2.013 -0.714 7.881 1.00 3.24 H new ATOM 0 HA CYS A 79 0.808 -0.597 7.671 1.00 43.41 H new ATOM 0 HB2 CYS A 79 -0.628 -1.417 5.875 1.00 21.41 H new ATOM 0 HB3 CYS A 79 -1.449 0.127 5.768 1.00 21.41 H new ATOM 0 HG CYS A 79 0.667 -0.582 3.710 1.00 44.22 H new ATOM 1163 N LEU A 80 -0.808 2.285 7.506 1.00 52.01 N ATOM 1164 CA LEU A 80 -0.642 3.729 7.627 1.00 42.12 C ATOM 1165 C LEU A 80 -0.209 4.111 9.038 1.00 73.11 C ATOM 1166 O LEU A 80 0.706 4.915 9.222 1.00 23.04 O ATOM 1167 CB LEU A 80 -1.947 4.444 7.270 1.00 53.40 C ATOM 1168 CG LEU A 80 -2.604 4.026 5.953 1.00 1.25 C ATOM 1169 CD1 LEU A 80 -4.048 3.611 6.186 1.00 30.43 C ATOM 1170 CD2 LEU A 80 -2.528 5.156 4.938 1.00 53.32 C ATOM 0 H LEU A 80 -1.773 1.981 7.380 1.00 52.01 H new ATOM 0 HA LEU A 80 0.137 4.040 6.931 1.00 42.12 H new ATOM 0 HB2 LEU A 80 -2.661 4.279 8.077 1.00 53.40 H new ATOM 0 HB3 LEU A 80 -1.752 5.516 7.231 1.00 53.40 H new ATOM 0 HG LEU A 80 -2.062 3.169 5.553 1.00 1.25 H new ATOM 0 HD11 LEU A 80 -4.499 3.317 5.238 1.00 30.43 H new ATOM 0 HD12 LEU A 80 -4.078 2.770 6.879 1.00 30.43 H new ATOM 0 HD13 LEU A 80 -4.604 4.448 6.608 1.00 30.43 H new ATOM 0 HD21 LEU A 80 -3.000 4.841 4.007 1.00 53.32 H new ATOM 0 HD22 LEU A 80 -3.045 6.032 5.329 1.00 53.32 H new ATOM 0 HD23 LEU A 80 -1.484 5.406 4.749 1.00 53.32 H new ATOM 1182 N PHE A 81 -0.871 3.530 10.032 1.00 21.04 N ATOM 1183 CA PHE A 81 -0.554 3.809 11.428 1.00 32.13 C ATOM 1184 C PHE A 81 0.894 3.439 11.741 1.00 32.12 C ATOM 1185 O PHE A 81 1.593 4.169 12.443 1.00 3.42 O ATOM 1186 CB PHE A 81 -1.499 3.039 12.352 1.00 61.32 C ATOM 1187 CG PHE A 81 -2.708 3.828 12.765 1.00 14.03 C ATOM 1188 CD1 PHE A 81 -3.667 4.191 11.832 1.00 14.54 C ATOM 1189 CD2 PHE A 81 -2.887 4.206 14.086 1.00 50.22 C ATOM 1190 CE1 PHE A 81 -4.780 4.919 12.211 1.00 21.41 C ATOM 1191 CE2 PHE A 81 -3.998 4.934 14.470 1.00 42.20 C ATOM 1192 CZ PHE A 81 -4.946 5.289 13.531 1.00 30.34 C ATOM 0 H PHE A 81 -1.631 2.863 9.897 1.00 21.04 H new ATOM 0 HA PHE A 81 -0.683 4.878 11.597 1.00 32.13 H new ATOM 0 HB2 PHE A 81 -1.824 2.128 11.849 1.00 61.32 H new ATOM 0 HB3 PHE A 81 -0.953 2.733 13.244 1.00 61.32 H new ATOM 0 HD1 PHE A 81 -3.544 3.902 10.799 1.00 14.54 H new ATOM 0 HD2 PHE A 81 -2.150 3.929 14.825 1.00 50.22 H new ATOM 0 HE1 PHE A 81 -5.519 5.198 11.475 1.00 21.41 H new ATOM 0 HE2 PHE A 81 -4.124 5.224 15.503 1.00 42.20 H new ATOM 0 HZ PHE A 81 -5.816 5.855 13.829 1.00 30.34 H new ATOM 1202 N GLU A 82 1.334 2.299 11.216 1.00 53.43 N ATOM 1203 CA GLU A 82 2.697 1.833 11.440 1.00 50.40 C ATOM 1204 C GLU A 82 3.703 2.724 10.717 1.00 13.44 C ATOM 1205 O GLU A 82 4.740 3.086 11.275 1.00 73.35 O ATOM 1206 CB GLU A 82 2.848 0.386 10.967 1.00 10.22 C ATOM 1207 CG GLU A 82 2.291 -0.636 11.944 1.00 62.01 C ATOM 1208 CD GLU A 82 3.379 -1.416 12.656 1.00 31.04 C ATOM 1209 OE1 GLU A 82 4.244 -0.779 13.293 1.00 42.31 O ATOM 1210 OE2 GLU A 82 3.365 -2.662 12.576 1.00 70.15 O ATOM 0 H GLU A 82 0.767 1.683 10.634 1.00 53.43 H new ATOM 0 HA GLU A 82 2.899 1.881 12.510 1.00 50.40 H new ATOM 0 HB2 GLU A 82 2.343 0.272 10.008 1.00 10.22 H new ATOM 0 HB3 GLU A 82 3.904 0.176 10.798 1.00 10.22 H new ATOM 0 HG2 GLU A 82 1.672 -0.127 12.682 1.00 62.01 H new ATOM 0 HG3 GLU A 82 1.643 -1.330 11.408 1.00 62.01 H new ATOM 1217 N MET A 83 3.390 3.073 9.474 1.00 73.32 N ATOM 1218 CA MET A 83 4.266 3.922 8.675 1.00 73.14 C ATOM 1219 C MET A 83 4.394 5.309 9.298 1.00 71.31 C ATOM 1220 O MET A 83 5.427 5.965 9.167 1.00 11.55 O ATOM 1221 CB MET A 83 3.734 4.039 7.245 1.00 11.33 C ATOM 1222 CG MET A 83 4.807 4.377 6.224 1.00 72.45 C ATOM 1223 SD MET A 83 5.272 2.961 5.210 1.00 35.41 S ATOM 1224 CE MET A 83 3.698 2.550 4.458 1.00 12.23 C ATOM 0 H MET A 83 2.536 2.781 8.998 1.00 73.32 H new ATOM 0 HA MET A 83 5.254 3.461 8.650 1.00 73.14 H new ATOM 0 HB2 MET A 83 3.260 3.098 6.964 1.00 11.33 H new ATOM 0 HB3 MET A 83 2.961 4.807 7.215 1.00 11.33 H new ATOM 0 HG2 MET A 83 4.449 5.179 5.579 1.00 72.45 H new ATOM 0 HG3 MET A 83 5.689 4.754 6.741 1.00 72.45 H new ATOM 0 HE1 MET A 83 3.865 2.159 3.455 1.00 12.23 H new ATOM 0 HE2 MET A 83 3.192 1.797 5.062 1.00 12.23 H new ATOM 0 HE3 MET A 83 3.078 3.445 4.400 1.00 12.23 H new ATOM 1234 N GLY A 84 3.338 5.749 9.974 1.00 52.55 N ATOM 1235 CA GLY A 84 3.353 7.056 10.605 1.00 12.21 C ATOM 1236 C GLY A 84 2.209 7.936 10.145 1.00 12.04 C ATOM 1237 O GLY A 84 1.889 8.937 10.786 1.00 51.32 O ATOM 0 H GLY A 84 2.472 5.224 10.096 1.00 52.55 H new ATOM 0 HA2 GLY A 84 3.301 6.934 11.687 1.00 12.21 H new ATOM 0 HA3 GLY A 84 4.299 7.551 10.385 1.00 12.21 H new ATOM 1241 N PHE A 85 1.590 7.565 9.029 1.00 60.45 N ATOM 1242 CA PHE A 85 0.477 8.329 8.481 1.00 53.33 C ATOM 1243 C PHE A 85 -0.544 8.659 9.567 1.00 71.43 C ATOM 1244 O PHE A 85 -1.139 7.764 10.165 1.00 24.30 O ATOM 1245 CB PHE A 85 -0.199 7.549 7.352 1.00 42.24 C ATOM 1246 CG PHE A 85 0.085 8.106 5.985 1.00 34.34 C ATOM 1247 CD1 PHE A 85 -0.348 9.376 5.637 1.00 30.41 C ATOM 1248 CD2 PHE A 85 0.784 7.361 5.050 1.00 25.32 C ATOM 1249 CE1 PHE A 85 -0.089 9.889 4.380 1.00 72.25 C ATOM 1250 CE2 PHE A 85 1.046 7.870 3.793 1.00 62.10 C ATOM 1251 CZ PHE A 85 0.610 9.137 3.457 1.00 11.31 C ATOM 0 H PHE A 85 1.841 6.739 8.486 1.00 60.45 H new ATOM 0 HA PHE A 85 0.873 9.263 8.082 1.00 53.33 H new ATOM 0 HB2 PHE A 85 0.132 6.511 7.389 1.00 42.24 H new ATOM 0 HB3 PHE A 85 -1.276 7.546 7.518 1.00 42.24 H new ATOM 0 HD1 PHE A 85 -0.893 9.971 6.355 1.00 30.41 H new ATOM 0 HD2 PHE A 85 1.128 6.370 5.307 1.00 25.32 H new ATOM 0 HE1 PHE A 85 -0.434 10.879 4.120 1.00 72.25 H new ATOM 0 HE2 PHE A 85 1.591 7.278 3.073 1.00 62.10 H new ATOM 0 HZ PHE A 85 0.815 9.538 2.475 1.00 11.31 H new ATOM 1261 N GLU A 86 -0.739 9.950 9.815 1.00 0.52 N ATOM 1262 CA GLU A 86 -1.684 10.397 10.831 1.00 74.31 C ATOM 1263 C GLU A 86 -3.114 10.360 10.297 1.00 4.12 C ATOM 1264 O GLU A 86 -3.545 11.267 9.586 1.00 22.25 O ATOM 1265 CB GLU A 86 -1.339 11.815 11.293 1.00 12.04 C ATOM 1266 CG GLU A 86 -2.275 12.350 12.364 1.00 44.20 C ATOM 1267 CD GLU A 86 -1.714 13.568 13.072 1.00 72.15 C ATOM 1268 OE1 GLU A 86 -0.925 14.307 12.445 1.00 21.03 O ATOM 1269 OE2 GLU A 86 -2.063 13.784 14.250 1.00 74.41 O ATOM 0 H GLU A 86 -0.256 10.704 9.327 1.00 0.52 H new ATOM 0 HA GLU A 86 -1.612 9.718 11.681 1.00 74.31 H new ATOM 0 HB2 GLU A 86 -0.319 11.825 11.676 1.00 12.04 H new ATOM 0 HB3 GLU A 86 -1.364 12.484 10.433 1.00 12.04 H new ATOM 0 HG2 GLU A 86 -3.232 12.607 11.910 1.00 44.20 H new ATOM 0 HG3 GLU A 86 -2.470 11.566 13.096 1.00 44.20 H new ATOM 1276 N GLU A 87 -3.841 9.302 10.644 1.00 3.51 N ATOM 1277 CA GLU A 87 -5.220 9.146 10.198 1.00 61.31 C ATOM 1278 C GLU A 87 -6.133 10.152 10.891 1.00 32.32 C ATOM 1279 O GLU A 87 -6.288 10.130 12.111 1.00 11.23 O ATOM 1280 CB GLU A 87 -5.709 7.722 10.473 1.00 32.21 C ATOM 1281 CG GLU A 87 -7.145 7.476 10.036 1.00 15.52 C ATOM 1282 CD GLU A 87 -7.288 6.236 9.178 1.00 23.55 C ATOM 1283 OE1 GLU A 87 -6.635 6.167 8.116 1.00 3.33 O ATOM 1284 OE2 GLU A 87 -8.056 5.331 9.568 1.00 33.24 O ATOM 0 H GLU A 87 -3.498 8.542 11.231 1.00 3.51 H new ATOM 0 HA GLU A 87 -5.252 9.333 9.125 1.00 61.31 H new ATOM 0 HB2 GLU A 87 -5.056 7.017 9.959 1.00 32.21 H new ATOM 0 HB3 GLU A 87 -5.623 7.517 11.540 1.00 32.21 H new ATOM 0 HG2 GLU A 87 -7.778 7.378 10.918 1.00 15.52 H new ATOM 0 HG3 GLU A 87 -7.505 8.342 9.480 1.00 15.52 H new ATOM 1291 N GLY A 88 -6.739 11.035 10.103 1.00 73.35 N ATOM 1292 CA GLY A 88 -7.629 12.038 10.657 1.00 22.53 C ATOM 1293 C GLY A 88 -9.077 11.588 10.663 1.00 42.43 C ATOM 1294 O GLY A 88 -9.361 10.392 10.640 1.00 62.23 O ATOM 0 H GLY A 88 -6.629 11.073 9.090 1.00 73.35 H new ATOM 0 HA2 GLY A 88 -7.320 12.271 11.676 1.00 22.53 H new ATOM 0 HA3 GLY A 88 -7.540 12.958 10.079 1.00 22.53 H new ATOM 1298 N GLU A 89 -9.993 12.551 10.697 1.00 61.43 N ATOM 1299 CA GLU A 89 -11.419 12.246 10.709 1.00 3.02 C ATOM 1300 C GLU A 89 -11.966 12.149 9.287 1.00 10.23 C ATOM 1301 O GLU A 89 -12.727 11.235 8.963 1.00 54.24 O ATOM 1302 CB GLU A 89 -12.186 13.315 11.490 1.00 5.41 C ATOM 1303 CG GLU A 89 -12.465 12.932 12.933 1.00 5.21 C ATOM 1304 CD GLU A 89 -12.914 14.112 13.773 1.00 73.04 C ATOM 1305 OE1 GLU A 89 -12.515 15.252 13.459 1.00 2.23 O ATOM 1306 OE2 GLU A 89 -13.669 13.893 14.745 1.00 43.52 O ATOM 0 H GLU A 89 -9.774 13.547 10.717 1.00 61.43 H new ATOM 0 HA GLU A 89 -11.554 11.282 11.199 1.00 3.02 H new ATOM 0 HB2 GLU A 89 -11.616 14.244 11.473 1.00 5.41 H new ATOM 0 HB3 GLU A 89 -13.132 13.512 10.986 1.00 5.41 H new ATOM 0 HG2 GLU A 89 -13.234 12.160 12.958 1.00 5.21 H new ATOM 0 HG3 GLU A 89 -11.565 12.500 13.371 1.00 5.21 H new ATOM 1313 N THR A 90 -11.574 13.097 8.442 1.00 12.01 N ATOM 1314 CA THR A 90 -12.025 13.120 7.056 1.00 35.20 C ATOM 1315 C THR A 90 -10.858 12.941 6.094 1.00 11.23 C ATOM 1316 O THR A 90 -11.042 12.535 4.946 1.00 12.32 O ATOM 1317 CB THR A 90 -12.753 14.436 6.724 1.00 12.40 C ATOM 1318 OG1 THR A 90 -12.254 15.493 7.552 1.00 50.14 O ATOM 1319 CG2 THR A 90 -14.254 14.293 6.927 1.00 23.23 C ATOM 0 H THR A 90 -10.945 13.859 8.693 1.00 12.01 H new ATOM 0 HA THR A 90 -12.720 12.289 6.937 1.00 35.20 H new ATOM 0 HB THR A 90 -12.566 14.674 5.677 1.00 12.40 H new ATOM 0 HG1 THR A 90 -12.720 16.327 7.334 1.00 50.14 H new ATOM 0 HG21 THR A 90 -14.745 15.236 6.686 1.00 23.23 H new ATOM 0 HG22 THR A 90 -14.636 13.508 6.275 1.00 23.23 H new ATOM 0 HG23 THR A 90 -14.458 14.033 7.966 1.00 23.23 H new ATOM 1327 N HIS A 91 -9.654 13.244 6.570 1.00 40.45 N ATOM 1328 CA HIS A 91 -8.453 13.115 5.750 1.00 60.51 C ATOM 1329 C HIS A 91 -7.257 12.704 6.601 1.00 0.53 C ATOM 1330 O HIS A 91 -7.274 12.843 7.825 1.00 32.03 O ATOM 1331 CB HIS A 91 -8.156 14.433 5.033 1.00 25.22 C ATOM 1332 CG HIS A 91 -8.075 15.611 5.954 1.00 2.15 C ATOM 1333 ND1 HIS A 91 -8.020 15.491 7.327 1.00 21.30 N ATOM 1334 CD2 HIS A 91 -8.035 16.938 5.693 1.00 50.24 C ATOM 1335 CE1 HIS A 91 -7.954 16.693 7.869 1.00 34.41 C ATOM 1336 NE2 HIS A 91 -7.960 17.588 6.899 1.00 54.34 N ATOM 0 H HIS A 91 -9.484 13.580 7.518 1.00 40.45 H new ATOM 0 HA HIS A 91 -8.631 12.338 5.007 1.00 60.51 H new ATOM 0 HB2 HIS A 91 -7.214 14.339 4.493 1.00 25.22 H new ATOM 0 HB3 HIS A 91 -8.932 14.616 4.290 1.00 25.22 H new ATOM 0 HD1 HIS A 91 -8.029 14.611 7.843 1.00 21.30 H new ATOM 0 HD2 HIS A 91 -8.058 17.400 4.717 1.00 50.24 H new ATOM 0 HE1 HIS A 91 -7.904 16.907 8.926 1.00 34.41 H new ATOM 1344 N LEU A 92 -6.218 12.196 5.948 1.00 32.41 N ATOM 1345 CA LEU A 92 -5.012 11.764 6.645 1.00 5.40 C ATOM 1346 C LEU A 92 -3.874 12.757 6.433 1.00 62.22 C ATOM 1347 O LEU A 92 -3.751 13.357 5.365 1.00 23.01 O ATOM 1348 CB LEU A 92 -4.588 10.376 6.159 1.00 24.31 C ATOM 1349 CG LEU A 92 -5.719 9.438 5.738 1.00 62.02 C ATOM 1350 CD1 LEU A 92 -5.159 8.111 5.248 1.00 51.53 C ATOM 1351 CD2 LEU A 92 -6.686 9.216 6.893 1.00 1.42 C ATOM 0 H LEU A 92 -6.186 12.073 4.936 1.00 32.41 H new ATOM 0 HA LEU A 92 -5.236 11.718 7.711 1.00 5.40 H new ATOM 0 HB2 LEU A 92 -3.912 10.500 5.313 1.00 24.31 H new ATOM 0 HB3 LEU A 92 -4.019 9.893 6.953 1.00 24.31 H new ATOM 0 HG LEU A 92 -6.264 9.904 4.917 1.00 62.02 H new ATOM 0 HD11 LEU A 92 -5.979 7.457 4.953 1.00 51.53 H new ATOM 0 HD12 LEU A 92 -4.507 8.285 4.392 1.00 51.53 H new ATOM 0 HD13 LEU A 92 -4.588 7.639 6.048 1.00 51.53 H new ATOM 0 HD21 LEU A 92 -7.485 8.546 6.575 1.00 1.42 H new ATOM 0 HD22 LEU A 92 -6.153 8.772 7.734 1.00 1.42 H new ATOM 0 HD23 LEU A 92 -7.114 10.171 7.198 1.00 1.42 H new ATOM 1363 N ILE A 93 -3.045 12.927 7.458 1.00 63.54 N ATOM 1364 CA ILE A 93 -1.917 13.846 7.382 1.00 24.43 C ATOM 1365 C ILE A 93 -0.596 13.088 7.286 1.00 21.10 C ATOM 1366 O ILE A 93 -0.407 12.063 7.941 1.00 10.51 O ATOM 1367 CB ILE A 93 -1.870 14.781 8.605 1.00 25.23 C ATOM 1368 CG1 ILE A 93 -2.903 15.899 8.457 1.00 11.31 C ATOM 1369 CG2 ILE A 93 -0.474 15.361 8.775 1.00 3.44 C ATOM 1370 CD1 ILE A 93 -4.333 15.410 8.494 1.00 32.22 C ATOM 0 H ILE A 93 -3.134 12.440 8.350 1.00 63.54 H new ATOM 0 HA ILE A 93 -2.057 14.444 6.482 1.00 24.43 H new ATOM 0 HB ILE A 93 -2.112 14.203 9.497 1.00 25.23 H new ATOM 0 HG12 ILE A 93 -2.756 16.626 9.255 1.00 11.31 H new ATOM 0 HG13 ILE A 93 -2.730 16.420 7.515 1.00 11.31 H new ATOM 0 HG21 ILE A 93 -0.457 16.020 9.643 1.00 3.44 H new ATOM 0 HG22 ILE A 93 0.241 14.551 8.920 1.00 3.44 H new ATOM 0 HG23 ILE A 93 -0.205 15.928 7.884 1.00 3.44 H new ATOM 0 HD11 ILE A 93 -5.010 16.257 8.383 1.00 32.22 H new ATOM 0 HD12 ILE A 93 -4.498 14.705 7.679 1.00 32.22 H new ATOM 0 HD13 ILE A 93 -4.524 14.915 9.446 1.00 32.22 H new ATOM 1382 N PHE A 94 0.315 13.600 6.464 1.00 20.33 N ATOM 1383 CA PHE A 94 1.619 12.972 6.282 1.00 24.30 C ATOM 1384 C PHE A 94 2.638 13.540 7.265 1.00 2.41 C ATOM 1385 O PHE A 94 2.915 14.740 7.288 1.00 72.13 O ATOM 1386 CB PHE A 94 2.110 13.174 4.847 1.00 71.43 C ATOM 1387 CG PHE A 94 3.225 12.248 4.459 1.00 30.02 C ATOM 1388 CD1 PHE A 94 4.465 12.341 5.071 1.00 5.12 C ATOM 1389 CD2 PHE A 94 3.036 11.283 3.483 1.00 34.13 C ATOM 1390 CE1 PHE A 94 5.495 11.491 4.715 1.00 71.02 C ATOM 1391 CE2 PHE A 94 4.061 10.428 3.124 1.00 15.05 C ATOM 1392 CZ PHE A 94 5.292 10.532 3.742 1.00 41.04 C ATOM 0 H PHE A 94 0.174 14.447 5.914 1.00 20.33 H new ATOM 0 HA PHE A 94 1.511 11.905 6.475 1.00 24.30 H new ATOM 0 HB2 PHE A 94 1.274 13.030 4.162 1.00 71.43 H new ATOM 0 HB3 PHE A 94 2.446 14.204 4.728 1.00 71.43 H new ATOM 0 HD1 PHE A 94 4.628 13.087 5.835 1.00 5.12 H new ATOM 0 HD2 PHE A 94 2.076 11.198 2.997 1.00 34.13 H new ATOM 0 HE1 PHE A 94 6.458 11.577 5.197 1.00 71.02 H new ATOM 0 HE2 PHE A 94 3.900 9.680 2.362 1.00 15.05 H new ATOM 0 HZ PHE A 94 6.094 9.864 3.465 1.00 41.04 H new ATOM 1402 N PRO A 95 3.211 12.660 8.098 1.00 0.01 N ATOM 1403 CA PRO A 95 4.208 13.050 9.099 1.00 22.43 C ATOM 1404 C PRO A 95 5.533 13.462 8.466 1.00 14.44 C ATOM 1405 O PRO A 95 6.063 12.766 7.600 1.00 54.22 O ATOM 1406 CB PRO A 95 4.387 11.780 9.935 1.00 33.35 C ATOM 1407 CG PRO A 95 4.009 10.667 9.020 1.00 53.22 C ATOM 1408 CD PRO A 95 2.929 11.214 8.128 1.00 64.32 C ATOM 0 HA PRO A 95 3.888 13.916 9.678 1.00 22.43 H new ATOM 0 HB2 PRO A 95 5.415 11.676 10.281 1.00 33.35 H new ATOM 0 HB3 PRO A 95 3.752 11.797 10.821 1.00 33.35 H new ATOM 0 HG2 PRO A 95 4.867 10.334 8.435 1.00 53.22 H new ATOM 0 HG3 PRO A 95 3.652 9.804 9.582 1.00 53.22 H new ATOM 0 HD2 PRO A 95 2.971 10.776 7.131 1.00 64.32 H new ATOM 0 HD3 PRO A 95 1.936 11.006 8.526 1.00 64.32 H new ATOM 1416 N LYS A 96 6.065 14.599 8.906 1.00 23.53 N ATOM 1417 CA LYS A 96 7.330 15.104 8.384 1.00 23.44 C ATOM 1418 C LYS A 96 8.485 14.187 8.775 1.00 32.41 C ATOM 1419 O LYS A 96 9.586 14.292 8.234 1.00 53.33 O ATOM 1420 CB LYS A 96 7.590 16.519 8.904 1.00 34.13 C ATOM 1421 CG LYS A 96 6.666 17.566 8.306 1.00 4.02 C ATOM 1422 CD LYS A 96 6.216 18.574 9.350 1.00 1.31 C ATOM 1423 CE LYS A 96 4.750 18.388 9.709 1.00 34.21 C ATOM 1424 NZ LYS A 96 4.275 19.432 10.659 1.00 13.24 N ATOM 0 H LYS A 96 5.640 15.187 9.622 1.00 23.53 H new ATOM 0 HA LYS A 96 7.262 15.129 7.296 1.00 23.44 H new ATOM 0 HB2 LYS A 96 7.478 16.525 9.988 1.00 34.13 H new ATOM 0 HB3 LYS A 96 8.623 16.792 8.688 1.00 34.13 H new ATOM 0 HG2 LYS A 96 7.178 18.084 7.495 1.00 4.02 H new ATOM 0 HG3 LYS A 96 5.794 17.077 7.871 1.00 4.02 H new ATOM 0 HD2 LYS A 96 6.827 18.469 10.246 1.00 1.31 H new ATOM 0 HD3 LYS A 96 6.374 19.585 8.973 1.00 1.31 H new ATOM 0 HE2 LYS A 96 4.147 18.421 8.802 1.00 34.21 H new ATOM 0 HE3 LYS A 96 4.607 17.402 10.151 1.00 34.21 H new ATOM 0 HZ1 LYS A 96 3.271 19.270 10.879 1.00 13.24 H new ATOM 0 HZ2 LYS A 96 4.833 19.384 11.535 1.00 13.24 H new ATOM 0 HZ3 LYS A 96 4.388 20.371 10.227 1.00 13.24 H new ATOM 1438 N LYS A 97 8.226 13.284 9.716 1.00 74.34 N ATOM 1439 CA LYS A 97 9.241 12.346 10.177 1.00 52.03 C ATOM 1440 C LYS A 97 9.326 11.137 9.251 1.00 51.43 C ATOM 1441 O LYS A 97 10.321 10.413 9.250 1.00 62.20 O ATOM 1442 CB LYS A 97 8.932 11.889 11.605 1.00 33.11 C ATOM 1443 CG LYS A 97 9.009 13.006 12.631 1.00 34.33 C ATOM 1444 CD LYS A 97 10.435 13.496 12.815 1.00 3.01 C ATOM 1445 CE LYS A 97 10.707 14.743 11.988 1.00 60.22 C ATOM 1446 NZ LYS A 97 11.235 15.858 12.822 1.00 33.20 N ATOM 0 H LYS A 97 7.320 13.183 10.174 1.00 74.34 H new ATOM 0 HA LYS A 97 10.204 12.857 10.166 1.00 52.03 H new ATOM 0 HB2 LYS A 97 7.934 11.452 11.630 1.00 33.11 H new ATOM 0 HB3 LYS A 97 9.631 11.101 11.885 1.00 33.11 H new ATOM 0 HG2 LYS A 97 8.376 13.835 12.315 1.00 34.33 H new ATOM 0 HG3 LYS A 97 8.619 12.652 13.585 1.00 34.33 H new ATOM 0 HD2 LYS A 97 10.614 13.711 13.869 1.00 3.01 H new ATOM 0 HD3 LYS A 97 11.131 12.708 12.527 1.00 3.01 H new ATOM 0 HE2 LYS A 97 11.423 14.508 11.201 1.00 60.22 H new ATOM 0 HE3 LYS A 97 9.787 15.061 11.497 1.00 60.22 H new ATOM 0 HZ1 LYS A 97 11.407 16.689 12.221 1.00 33.20 H new ATOM 0 HZ2 LYS A 97 10.541 16.100 13.557 1.00 33.20 H new ATOM 0 HZ3 LYS A 97 12.126 15.564 13.270 1.00 33.20 H new ATOM 1460 N ALA A 98 8.277 10.925 8.464 1.00 41.30 N ATOM 1461 CA ALA A 98 8.235 9.806 7.531 1.00 71.12 C ATOM 1462 C ALA A 98 9.265 9.978 6.421 1.00 2.42 C ATOM 1463 O ALA A 98 9.648 11.098 6.085 1.00 43.53 O ATOM 1464 CB ALA A 98 6.840 9.661 6.943 1.00 73.45 C ATOM 0 H ALA A 98 7.444 11.514 8.454 1.00 41.30 H new ATOM 0 HA ALA A 98 8.481 8.897 8.080 1.00 71.12 H new ATOM 0 HB1 ALA A 98 6.824 8.821 6.248 1.00 73.45 H new ATOM 0 HB2 ALA A 98 6.124 9.482 7.745 1.00 73.45 H new ATOM 0 HB3 ALA A 98 6.571 10.575 6.414 1.00 73.45 H new ATOM 1470 N SER A 99 9.710 8.860 5.854 1.00 43.22 N ATOM 1471 CA SER A 99 10.699 8.889 4.783 1.00 5.34 C ATOM 1472 C SER A 99 10.060 8.540 3.443 1.00 34.45 C ATOM 1473 O SER A 99 9.670 7.396 3.207 1.00 34.14 O ATOM 1474 CB SER A 99 11.838 7.913 5.087 1.00 41.31 C ATOM 1475 OG SER A 99 11.367 6.787 5.807 1.00 74.21 O ATOM 0 H SER A 99 9.401 7.924 6.118 1.00 43.22 H new ATOM 0 HA SER A 99 11.102 9.900 4.721 1.00 5.34 H new ATOM 0 HB2 SER A 99 12.299 7.586 4.155 1.00 41.31 H new ATOM 0 HB3 SER A 99 12.611 8.420 5.664 1.00 41.31 H new ATOM 0 HG SER A 99 12.114 6.178 5.987 1.00 74.21 H new ATOM 1481 N VAL A 100 9.956 9.535 2.567 1.00 31.25 N ATOM 1482 CA VAL A 100 9.364 9.335 1.250 1.00 63.20 C ATOM 1483 C VAL A 100 10.222 8.405 0.398 1.00 63.14 C ATOM 1484 O VAL A 100 9.732 7.784 -0.545 1.00 14.44 O ATOM 1485 CB VAL A 100 9.183 10.671 0.508 1.00 71.11 C ATOM 1486 CG1 VAL A 100 8.357 11.638 1.342 1.00 62.20 C ATOM 1487 CG2 VAL A 100 10.535 11.276 0.159 1.00 62.31 C ATOM 0 H VAL A 100 10.274 10.487 2.746 1.00 31.25 H new ATOM 0 HA VAL A 100 8.386 8.880 1.408 1.00 63.20 H new ATOM 0 HB VAL A 100 8.646 10.479 -0.421 1.00 71.11 H new ATOM 0 HG11 VAL A 100 8.240 12.577 0.801 1.00 62.20 H new ATOM 0 HG12 VAL A 100 7.375 11.205 1.535 1.00 62.20 H new ATOM 0 HG13 VAL A 100 8.863 11.826 2.289 1.00 62.20 H new ATOM 0 HG21 VAL A 100 10.387 12.220 -0.365 1.00 62.31 H new ATOM 0 HG22 VAL A 100 11.101 11.454 1.073 1.00 62.31 H new ATOM 0 HG23 VAL A 100 11.087 10.588 -0.482 1.00 62.31 H new ATOM 1497 N GLU A 101 11.505 8.315 0.736 1.00 15.24 N ATOM 1498 CA GLU A 101 12.430 7.461 0.003 1.00 42.32 C ATOM 1499 C GLU A 101 12.132 5.987 0.260 1.00 53.04 C ATOM 1500 O GLU A 101 12.162 5.168 -0.657 1.00 42.15 O ATOM 1501 CB GLU A 101 13.874 7.779 0.398 1.00 32.33 C ATOM 1502 CG GLU A 101 14.362 9.126 -0.104 1.00 12.40 C ATOM 1503 CD GLU A 101 15.863 9.293 0.035 1.00 33.13 C ATOM 1504 OE1 GLU A 101 16.313 9.724 1.118 1.00 44.42 O ATOM 1505 OE2 GLU A 101 16.586 8.994 -0.937 1.00 30.20 O ATOM 0 H GLU A 101 11.926 8.824 1.513 1.00 15.24 H new ATOM 0 HA GLU A 101 12.300 7.658 -1.061 1.00 42.32 H new ATOM 0 HB2 GLU A 101 13.958 7.754 1.484 1.00 32.33 H new ATOM 0 HB3 GLU A 101 14.528 6.998 0.010 1.00 32.33 H new ATOM 0 HG2 GLU A 101 14.083 9.242 -1.151 1.00 12.40 H new ATOM 0 HG3 GLU A 101 13.859 9.919 0.449 1.00 12.40 H new ATOM 1512 N GLN A 102 11.844 5.659 1.516 1.00 4.21 N ATOM 1513 CA GLN A 102 11.542 4.283 1.894 1.00 52.31 C ATOM 1514 C GLN A 102 10.131 3.898 1.463 1.00 60.42 C ATOM 1515 O GLN A 102 9.869 2.745 1.121 1.00 61.33 O ATOM 1516 CB GLN A 102 11.694 4.103 3.405 1.00 10.31 C ATOM 1517 CG GLN A 102 10.399 4.309 4.175 1.00 12.21 C ATOM 1518 CD GLN A 102 9.538 3.061 4.215 1.00 51.44 C ATOM 1519 OE1 GLN A 102 10.026 1.966 4.492 1.00 24.44 O ATOM 1520 NE2 GLN A 102 8.250 3.223 3.938 1.00 32.43 N ATOM 0 H GLN A 102 11.813 6.326 2.287 1.00 4.21 H new ATOM 0 HA GLN A 102 12.249 3.628 1.384 1.00 52.31 H new ATOM 0 HB2 GLN A 102 12.072 3.101 3.607 1.00 10.31 H new ATOM 0 HB3 GLN A 102 12.442 4.806 3.773 1.00 10.31 H new ATOM 0 HG2 GLN A 102 10.632 4.618 5.194 1.00 12.21 H new ATOM 0 HG3 GLN A 102 9.834 5.121 3.717 1.00 12.21 H new ATOM 0 HE21 GLN A 102 7.889 4.150 3.714 1.00 32.43 H new ATOM 0 HE22 GLN A 102 7.621 2.420 3.950 1.00 32.43 H new ATOM 1529 N LEU A 103 9.226 4.870 1.482 1.00 21.42 N ATOM 1530 CA LEU A 103 7.840 4.632 1.094 1.00 61.23 C ATOM 1531 C LEU A 103 7.757 4.124 -0.342 1.00 52.44 C ATOM 1532 O LEU A 103 6.966 3.233 -0.650 1.00 50.51 O ATOM 1533 CB LEU A 103 7.021 5.916 1.241 1.00 12.43 C ATOM 1534 CG LEU A 103 5.935 5.899 2.318 1.00 34.14 C ATOM 1535 CD1 LEU A 103 5.339 7.286 2.497 1.00 33.31 C ATOM 1536 CD2 LEU A 103 4.850 4.893 1.966 1.00 25.43 C ATOM 0 H LEU A 103 9.427 5.830 1.762 1.00 21.42 H new ATOM 0 HA LEU A 103 7.429 3.869 1.755 1.00 61.23 H new ATOM 0 HB2 LEU A 103 7.705 6.737 1.456 1.00 12.43 H new ATOM 0 HB3 LEU A 103 6.551 6.135 0.282 1.00 12.43 H new ATOM 0 HG LEU A 103 6.391 5.597 3.261 1.00 34.14 H new ATOM 0 HD11 LEU A 103 4.568 7.254 3.267 1.00 33.31 H new ATOM 0 HD12 LEU A 103 6.122 7.983 2.796 1.00 33.31 H new ATOM 0 HD13 LEU A 103 4.899 7.617 1.556 1.00 33.31 H new ATOM 0 HD21 LEU A 103 4.086 4.895 2.744 1.00 25.43 H new ATOM 0 HD22 LEU A 103 4.398 5.165 1.012 1.00 25.43 H new ATOM 0 HD23 LEU A 103 5.288 3.898 1.890 1.00 25.43 H new ATOM 1548 N GLN A 104 8.578 4.698 -1.216 1.00 40.12 N ATOM 1549 CA GLN A 104 8.599 4.302 -2.619 1.00 13.31 C ATOM 1550 C GLN A 104 9.224 2.922 -2.787 1.00 21.23 C ATOM 1551 O GLN A 104 8.738 2.097 -3.560 1.00 71.10 O ATOM 1552 CB GLN A 104 9.368 5.329 -3.449 1.00 43.43 C ATOM 1553 CG GLN A 104 8.953 5.366 -4.912 1.00 34.02 C ATOM 1554 CD GLN A 104 10.129 5.231 -5.857 1.00 4.25 C ATOM 1555 OE1 GLN A 104 11.216 5.746 -5.592 1.00 65.42 O ATOM 1556 NE2 GLN A 104 9.919 4.533 -6.968 1.00 4.11 N ATOM 0 H GLN A 104 9.237 5.439 -0.977 1.00 40.12 H new ATOM 0 HA GLN A 104 7.569 4.258 -2.973 1.00 13.31 H new ATOM 0 HB2 GLN A 104 9.222 6.318 -3.014 1.00 43.43 H new ATOM 0 HB3 GLN A 104 10.434 5.108 -3.388 1.00 43.43 H new ATOM 0 HG2 GLN A 104 8.243 4.561 -5.105 1.00 34.02 H new ATOM 0 HG3 GLN A 104 8.435 6.303 -5.115 1.00 34.02 H new ATOM 0 HE21 GLN A 104 9.002 4.124 -7.147 1.00 4.11 H new ATOM 0 HE22 GLN A 104 10.675 4.407 -7.641 1.00 4.11 H new ATOM 1565 N LYS A 105 10.307 2.677 -2.057 1.00 3.24 N ATOM 1566 CA LYS A 105 11.001 1.397 -2.123 1.00 31.43 C ATOM 1567 C LYS A 105 10.043 0.242 -1.843 1.00 53.45 C ATOM 1568 O LYS A 105 10.008 -0.741 -2.584 1.00 13.23 O ATOM 1569 CB LYS A 105 12.157 1.367 -1.121 1.00 22.15 C ATOM 1570 CG LYS A 105 13.507 1.082 -1.758 1.00 64.21 C ATOM 1571 CD LYS A 105 14.575 2.036 -1.250 1.00 62.30 C ATOM 1572 CE LYS A 105 14.718 3.248 -2.159 1.00 74.32 C ATOM 1573 NZ LYS A 105 16.114 3.415 -2.646 1.00 11.13 N ATOM 0 H LYS A 105 10.723 3.349 -1.412 1.00 3.24 H new ATOM 0 HA LYS A 105 11.398 1.281 -3.131 1.00 31.43 H new ATOM 0 HB2 LYS A 105 12.204 2.325 -0.604 1.00 22.15 H new ATOM 0 HB3 LYS A 105 11.953 0.607 -0.366 1.00 22.15 H new ATOM 0 HG2 LYS A 105 13.803 0.055 -1.543 1.00 64.21 H new ATOM 0 HG3 LYS A 105 13.425 1.169 -2.841 1.00 64.21 H new ATOM 0 HD2 LYS A 105 14.322 2.364 -0.242 1.00 62.30 H new ATOM 0 HD3 LYS A 105 15.530 1.514 -1.185 1.00 62.30 H new ATOM 0 HE2 LYS A 105 14.046 3.144 -3.011 1.00 74.32 H new ATOM 0 HE3 LYS A 105 14.412 4.144 -1.620 1.00 74.32 H new ATOM 0 HZ1 LYS A 105 16.169 4.251 -3.262 1.00 11.13 H new ATOM 0 HZ2 LYS A 105 16.752 3.540 -1.834 1.00 11.13 H new ATOM 0 HZ3 LYS A 105 16.398 2.571 -3.183 1.00 11.13 H new ATOM 1587 N ILE A 106 9.267 0.371 -0.771 1.00 73.25 N ATOM 1588 CA ILE A 106 8.308 -0.660 -0.397 1.00 73.35 C ATOM 1589 C ILE A 106 7.150 -0.720 -1.389 1.00 53.21 C ATOM 1590 O ILE A 106 6.591 -1.787 -1.641 1.00 45.31 O ATOM 1591 CB ILE A 106 7.746 -0.419 1.016 1.00 52.41 C ATOM 1592 CG1 ILE A 106 6.741 -1.512 1.384 1.00 73.23 C ATOM 1593 CG2 ILE A 106 7.095 0.955 1.101 1.00 4.10 C ATOM 1594 CD1 ILE A 106 6.247 -1.426 2.810 1.00 34.04 C ATOM 0 H ILE A 106 9.284 1.178 -0.148 1.00 73.25 H new ATOM 0 HA ILE A 106 8.844 -1.609 -0.410 1.00 73.35 H new ATOM 0 HB ILE A 106 8.570 -0.455 1.728 1.00 52.41 H new ATOM 0 HG12 ILE A 106 5.888 -1.451 0.709 1.00 73.23 H new ATOM 0 HG13 ILE A 106 7.203 -2.487 1.227 1.00 73.23 H new ATOM 0 HG21 ILE A 106 6.703 1.110 2.106 1.00 4.10 H new ATOM 0 HG22 ILE A 106 7.836 1.723 0.878 1.00 4.10 H new ATOM 0 HG23 ILE A 106 6.280 1.017 0.380 1.00 4.10 H new ATOM 0 HD11 ILE A 106 5.538 -2.232 2.999 1.00 34.04 H new ATOM 0 HD12 ILE A 106 7.091 -1.517 3.494 1.00 34.04 H new ATOM 0 HD13 ILE A 106 5.755 -0.466 2.967 1.00 34.04 H new ATOM 1606 N ARG A 107 6.797 0.433 -1.948 1.00 14.13 N ATOM 1607 CA ARG A 107 5.706 0.513 -2.912 1.00 22.43 C ATOM 1608 C ARG A 107 6.087 -0.175 -4.220 1.00 71.33 C ATOM 1609 O ARG A 107 5.222 -0.630 -4.968 1.00 52.44 O ATOM 1610 CB ARG A 107 5.337 1.972 -3.179 1.00 2.40 C ATOM 1611 CG ARG A 107 5.433 2.368 -4.643 1.00 33.42 C ATOM 1612 CD ARG A 107 5.132 3.845 -4.842 1.00 24.41 C ATOM 1613 NE ARG A 107 5.929 4.425 -5.920 1.00 23.30 N ATOM 1614 CZ ARG A 107 5.598 5.540 -6.561 1.00 25.25 C ATOM 1615 NH1 ARG A 107 4.492 6.193 -6.234 1.00 31.31 N ATOM 1616 NH2 ARG A 107 6.376 6.005 -7.530 1.00 74.33 N ATOM 0 H ARG A 107 7.251 1.325 -1.750 1.00 14.13 H new ATOM 0 HA ARG A 107 4.842 0.000 -2.489 1.00 22.43 H new ATOM 0 HB2 ARG A 107 4.320 2.150 -2.829 1.00 2.40 H new ATOM 0 HB3 ARG A 107 5.993 2.616 -2.594 1.00 2.40 H new ATOM 0 HG2 ARG A 107 6.433 2.146 -5.016 1.00 33.42 H new ATOM 0 HG3 ARG A 107 4.734 1.771 -5.229 1.00 33.42 H new ATOM 0 HD2 ARG A 107 4.073 3.972 -5.065 1.00 24.41 H new ATOM 0 HD3 ARG A 107 5.329 4.383 -3.915 1.00 24.41 H new ATOM 0 HE ARG A 107 6.787 3.947 -6.196 1.00 23.30 H new ATOM 0 HH11 ARG A 107 3.893 5.839 -5.488 1.00 31.31 H new ATOM 0 HH12 ARG A 107 4.240 7.049 -6.728 1.00 31.31 H new ATOM 0 HH21 ARG A 107 7.229 5.506 -7.783 1.00 74.33 H new ATOM 0 HH22 ARG A 107 6.121 6.861 -8.022 1.00 74.33 H new ATOM 1630 N ASP A 108 7.386 -0.245 -4.489 1.00 54.55 N ATOM 1631 CA ASP A 108 7.881 -0.874 -5.707 1.00 31.42 C ATOM 1632 C ASP A 108 7.383 -2.313 -5.816 1.00 13.45 C ATOM 1633 O ASP A 108 7.079 -2.795 -6.908 1.00 4.11 O ATOM 1634 CB ASP A 108 9.410 -0.849 -5.735 1.00 12.43 C ATOM 1635 CG ASP A 108 9.969 -1.089 -7.122 1.00 64.53 C ATOM 1636 OD1 ASP A 108 9.971 -2.257 -7.568 1.00 12.51 O ATOM 1637 OD2 ASP A 108 10.404 -0.110 -7.766 1.00 61.01 O ATOM 0 H ASP A 108 8.115 0.126 -3.880 1.00 54.55 H new ATOM 0 HA ASP A 108 7.500 -0.310 -6.558 1.00 31.42 H new ATOM 0 HB2 ASP A 108 9.761 0.115 -5.367 1.00 12.43 H new ATOM 0 HB3 ASP A 108 9.795 -1.609 -5.055 1.00 12.43 H new ATOM 1642 N LEU A 109 7.301 -2.993 -4.678 1.00 12.31 N ATOM 1643 CA LEU A 109 6.841 -4.376 -4.645 1.00 50.40 C ATOM 1644 C LEU A 109 5.335 -4.454 -4.876 1.00 73.41 C ATOM 1645 O LEU A 109 4.839 -5.402 -5.487 1.00 35.03 O ATOM 1646 CB LEU A 109 7.196 -5.020 -3.303 1.00 63.43 C ATOM 1647 CG LEU A 109 8.634 -5.519 -3.158 1.00 64.42 C ATOM 1648 CD1 LEU A 109 8.953 -6.546 -4.233 1.00 21.44 C ATOM 1649 CD2 LEU A 109 9.611 -4.355 -3.226 1.00 12.12 C ATOM 0 H LEU A 109 7.547 -2.609 -3.766 1.00 12.31 H new ATOM 0 HA LEU A 109 7.342 -4.919 -5.446 1.00 50.40 H new ATOM 0 HB2 LEU A 109 7.003 -4.295 -2.512 1.00 63.43 H new ATOM 0 HB3 LEU A 109 6.522 -5.861 -3.136 1.00 63.43 H new ATOM 0 HG LEU A 109 8.736 -5.998 -2.184 1.00 64.42 H new ATOM 0 HD11 LEU A 109 9.980 -6.890 -4.114 1.00 21.44 H new ATOM 0 HD12 LEU A 109 8.274 -7.393 -4.140 1.00 21.44 H new ATOM 0 HD13 LEU A 109 8.834 -6.092 -5.217 1.00 21.44 H new ATOM 0 HD21 LEU A 109 10.630 -4.728 -3.121 1.00 12.12 H new ATOM 0 HD22 LEU A 109 9.507 -3.848 -4.186 1.00 12.12 H new ATOM 0 HD23 LEU A 109 9.397 -3.653 -2.420 1.00 12.12 H new ATOM 1661 N ILE A 110 4.613 -3.453 -4.385 1.00 45.44 N ATOM 1662 CA ILE A 110 3.164 -3.406 -4.542 1.00 31.03 C ATOM 1663 C ILE A 110 2.777 -3.095 -5.983 1.00 33.32 C ATOM 1664 O ILE A 110 1.923 -3.763 -6.566 1.00 24.43 O ATOM 1665 CB ILE A 110 2.531 -2.353 -3.613 1.00 2.12 C ATOM 1666 CG1 ILE A 110 3.252 -2.332 -2.264 1.00 71.15 C ATOM 1667 CG2 ILE A 110 1.049 -2.637 -3.424 1.00 63.40 C ATOM 1668 CD1 ILE A 110 3.441 -3.704 -1.658 1.00 61.41 C ATOM 0 H ILE A 110 5.008 -2.663 -3.875 1.00 45.44 H new ATOM 0 HA ILE A 110 2.785 -4.392 -4.272 1.00 31.03 H new ATOM 0 HB ILE A 110 2.637 -1.371 -4.075 1.00 2.12 H new ATOM 0 HG12 ILE A 110 4.227 -1.862 -2.390 1.00 71.15 H new ATOM 0 HG13 ILE A 110 2.687 -1.712 -1.569 1.00 71.15 H new ATOM 0 HG21 ILE A 110 0.615 -1.885 -2.765 1.00 63.40 H new ATOM 0 HG22 ILE A 110 0.546 -2.606 -4.391 1.00 63.40 H new ATOM 0 HG23 ILE A 110 0.921 -3.624 -2.980 1.00 63.40 H new ATOM 0 HD11 ILE A 110 3.959 -3.612 -0.703 1.00 61.41 H new ATOM 0 HD12 ILE A 110 2.468 -4.169 -1.500 1.00 61.41 H new ATOM 0 HD13 ILE A 110 4.033 -4.322 -2.334 1.00 61.41 H new ATOM 1680 N ALA A 111 3.412 -2.076 -6.555 1.00 70.32 N ATOM 1681 CA ALA A 111 3.136 -1.680 -7.930 1.00 4.41 C ATOM 1682 C ALA A 111 3.319 -2.853 -8.887 1.00 41.23 C ATOM 1683 O ALA A 111 2.486 -3.085 -9.764 1.00 64.20 O ATOM 1684 CB ALA A 111 4.036 -0.522 -8.334 1.00 45.25 C ATOM 0 H ALA A 111 4.120 -1.511 -6.087 1.00 70.32 H new ATOM 0 HA ALA A 111 2.097 -1.357 -7.988 1.00 4.41 H new ATOM 0 HB1 ALA A 111 3.820 -0.235 -9.363 1.00 45.25 H new ATOM 0 HB2 ALA A 111 3.854 0.327 -7.675 1.00 45.25 H new ATOM 0 HB3 ALA A 111 5.079 -0.827 -8.253 1.00 45.25 H new ATOM 1690 N ILE A 112 4.411 -3.587 -8.714 1.00 2.32 N ATOM 1691 CA ILE A 112 4.703 -4.735 -9.563 1.00 23.34 C ATOM 1692 C ILE A 112 3.733 -5.880 -9.290 1.00 54.12 C ATOM 1693 O ILE A 112 3.327 -6.595 -10.206 1.00 42.43 O ATOM 1694 CB ILE A 112 6.143 -5.239 -9.354 1.00 21.43 C ATOM 1695 CG1 ILE A 112 6.436 -6.414 -10.291 1.00 24.40 C ATOM 1696 CG2 ILE A 112 6.359 -5.646 -7.904 1.00 63.10 C ATOM 1697 CD1 ILE A 112 6.400 -6.041 -11.757 1.00 2.22 C ATOM 0 H ILE A 112 5.110 -3.408 -7.993 1.00 2.32 H new ATOM 0 HA ILE A 112 4.589 -4.401 -10.594 1.00 23.34 H new ATOM 0 HB ILE A 112 6.833 -4.428 -9.589 1.00 21.43 H new ATOM 0 HG12 ILE A 112 7.418 -6.823 -10.052 1.00 24.40 H new ATOM 0 HG13 ILE A 112 5.709 -7.205 -10.108 1.00 24.40 H new ATOM 0 HG21 ILE A 112 7.382 -6.000 -7.774 1.00 63.10 H new ATOM 0 HG22 ILE A 112 6.187 -4.787 -7.255 1.00 63.10 H new ATOM 0 HG23 ILE A 112 5.663 -6.443 -7.642 1.00 63.10 H new ATOM 0 HD11 ILE A 112 6.616 -6.922 -12.362 1.00 2.22 H new ATOM 0 HD12 ILE A 112 5.411 -5.660 -12.011 1.00 2.22 H new ATOM 0 HD13 ILE A 112 7.147 -5.272 -11.955 1.00 2.22 H new ATOM 1709 N GLU A 113 3.362 -6.047 -8.023 1.00 41.15 N ATOM 1710 CA GLU A 113 2.438 -7.104 -7.631 1.00 13.51 C ATOM 1711 C GLU A 113 1.071 -6.900 -8.279 1.00 14.43 C ATOM 1712 O GLU A 113 0.369 -7.863 -8.588 1.00 72.21 O ATOM 1713 CB GLU A 113 2.291 -7.144 -6.108 1.00 45.05 C ATOM 1714 CG GLU A 113 1.611 -8.402 -5.596 1.00 22.32 C ATOM 1715 CD GLU A 113 2.495 -9.631 -5.710 1.00 14.23 C ATOM 1716 OE1 GLU A 113 3.447 -9.751 -4.910 1.00 40.12 O ATOM 1717 OE2 GLU A 113 2.234 -10.470 -6.595 1.00 41.32 O ATOM 0 H GLU A 113 3.688 -5.464 -7.252 1.00 41.15 H new ATOM 0 HA GLU A 113 2.846 -8.054 -7.975 1.00 13.51 H new ATOM 0 HB2 GLU A 113 3.279 -7.064 -5.654 1.00 45.05 H new ATOM 0 HB3 GLU A 113 1.720 -6.274 -5.783 1.00 45.05 H new ATOM 0 HG2 GLU A 113 1.327 -8.259 -4.553 1.00 22.32 H new ATOM 0 HG3 GLU A 113 0.691 -8.567 -6.157 1.00 22.32 H new ATOM 1724 N ARG A 114 0.702 -5.640 -8.482 1.00 74.22 N ATOM 1725 CA ARG A 114 -0.582 -5.309 -9.091 1.00 43.22 C ATOM 1726 C ARG A 114 -0.744 -6.016 -10.433 1.00 24.20 C ATOM 1727 O ARG A 114 -1.769 -6.646 -10.695 1.00 20.33 O ATOM 1728 CB ARG A 114 -0.705 -3.797 -9.282 1.00 42.25 C ATOM 1729 CG ARG A 114 -1.587 -3.122 -8.246 1.00 12.24 C ATOM 1730 CD ARG A 114 -2.998 -3.686 -8.264 1.00 32.43 C ATOM 1731 NE ARG A 114 -3.523 -3.806 -9.621 1.00 73.23 N ATOM 1732 CZ ARG A 114 -4.545 -4.590 -9.948 1.00 22.44 C ATOM 1733 NH1 ARG A 114 -5.149 -5.320 -9.020 1.00 22.11 N ATOM 1734 NH2 ARG A 114 -4.965 -4.644 -11.205 1.00 62.20 N ATOM 0 H ARG A 114 1.273 -4.832 -8.234 1.00 74.22 H new ATOM 0 HA ARG A 114 -1.372 -5.649 -8.422 1.00 43.22 H new ATOM 0 HB2 ARG A 114 0.290 -3.353 -9.245 1.00 42.25 H new ATOM 0 HB3 ARG A 114 -1.107 -3.596 -10.275 1.00 42.25 H new ATOM 0 HG2 ARG A 114 -1.153 -3.255 -7.255 1.00 12.24 H new ATOM 0 HG3 ARG A 114 -1.620 -2.050 -8.438 1.00 12.24 H new ATOM 0 HD2 ARG A 114 -3.003 -4.665 -7.786 1.00 32.43 H new ATOM 0 HD3 ARG A 114 -3.653 -3.042 -7.678 1.00 32.43 H new ATOM 0 HE ARG A 114 -3.081 -3.258 -10.359 1.00 73.23 H new ATOM 0 HH11 ARG A 114 -4.829 -5.281 -8.052 1.00 22.11 H new ATOM 0 HH12 ARG A 114 -5.933 -5.921 -9.274 1.00 22.11 H new ATOM 0 HH21 ARG A 114 -4.503 -4.084 -11.921 1.00 62.20 H new ATOM 0 HH22 ARG A 114 -5.749 -5.246 -11.455 1.00 62.20 H new ATOM 1748 N SER A 115 0.274 -5.906 -11.282 1.00 23.12 N ATOM 1749 CA SER A 115 0.242 -6.532 -12.600 1.00 12.05 C ATOM 1750 C SER A 115 0.416 -8.044 -12.487 1.00 63.43 C ATOM 1751 O SER A 115 -0.137 -8.803 -13.281 1.00 71.21 O ATOM 1752 CB SER A 115 1.338 -5.946 -13.492 1.00 55.10 C ATOM 1753 OG SER A 115 1.850 -4.741 -12.947 1.00 34.34 O ATOM 0 H SER A 115 1.130 -5.390 -11.081 1.00 23.12 H new ATOM 0 HA SER A 115 -0.730 -6.328 -13.049 1.00 12.05 H new ATOM 0 HB2 SER A 115 2.145 -6.670 -13.604 1.00 55.10 H new ATOM 0 HB3 SER A 115 0.938 -5.757 -14.488 1.00 55.10 H new ATOM 0 HG SER A 115 2.550 -4.388 -13.535 1.00 34.34 H new ATOM 1759 N SER A 116 1.190 -8.473 -11.494 1.00 55.35 N ATOM 1760 CA SER A 116 1.441 -9.893 -11.280 1.00 41.32 C ATOM 1761 C SER A 116 0.135 -10.644 -11.037 1.00 63.53 C ATOM 1762 O SER A 116 -0.001 -11.810 -11.410 1.00 3.52 O ATOM 1763 CB SER A 116 2.385 -10.091 -10.092 1.00 71.24 C ATOM 1764 OG SER A 116 3.605 -10.683 -10.504 1.00 54.33 O ATOM 0 H SER A 116 1.653 -7.857 -10.826 1.00 55.35 H new ATOM 0 HA SER A 116 1.909 -10.295 -12.179 1.00 41.32 H new ATOM 0 HB2 SER A 116 2.585 -9.130 -9.618 1.00 71.24 H new ATOM 0 HB3 SER A 116 1.905 -10.722 -9.343 1.00 71.24 H new ATOM 0 HG SER A 116 4.192 -10.798 -9.727 1.00 54.33 H new ATOM 1770 N ARG A 117 -0.823 -9.968 -10.413 1.00 52.40 N ATOM 1771 CA ARG A 117 -2.117 -10.571 -10.119 1.00 63.41 C ATOM 1772 C ARG A 117 -2.962 -10.687 -11.384 1.00 63.31 C ATOM 1773 O ARG A 117 -3.794 -11.585 -11.508 1.00 35.21 O ATOM 1774 CB ARG A 117 -2.862 -9.745 -9.068 1.00 63.32 C ATOM 1775 CG ARG A 117 -4.197 -10.344 -8.657 1.00 22.52 C ATOM 1776 CD ARG A 117 -4.013 -11.492 -7.676 1.00 1.43 C ATOM 1777 NE ARG A 117 -4.927 -12.598 -7.949 1.00 75.32 N ATOM 1778 CZ ARG A 117 -5.205 -13.554 -7.070 1.00 72.31 C ATOM 1779 NH1 ARG A 117 -4.643 -13.541 -5.869 1.00 62.43 N ATOM 1780 NH2 ARG A 117 -6.048 -14.527 -7.392 1.00 22.03 N ATOM 0 H ARG A 117 -0.728 -9.002 -10.101 1.00 52.40 H new ATOM 0 HA ARG A 117 -1.942 -11.573 -9.726 1.00 63.41 H new ATOM 0 HB2 ARG A 117 -2.232 -9.643 -8.185 1.00 63.32 H new ATOM 0 HB3 ARG A 117 -3.029 -8.741 -9.458 1.00 63.32 H new ATOM 0 HG2 ARG A 117 -4.819 -9.572 -8.204 1.00 22.52 H new ATOM 0 HG3 ARG A 117 -4.725 -10.701 -9.541 1.00 22.52 H new ATOM 0 HD2 ARG A 117 -2.985 -11.851 -7.727 1.00 1.43 H new ATOM 0 HD3 ARG A 117 -4.175 -11.130 -6.661 1.00 1.43 H new ATOM 0 HE ARG A 117 -5.376 -12.638 -8.864 1.00 75.32 H new ATOM 0 HH11 ARG A 117 -3.995 -12.795 -5.617 1.00 62.43 H new ATOM 0 HH12 ARG A 117 -4.859 -14.277 -5.197 1.00 62.43 H new ATOM 0 HH21 ARG A 117 -6.483 -14.541 -8.315 1.00 22.03 H new ATOM 0 HH22 ARG A 117 -6.261 -15.261 -6.717 1.00 22.03 H new