USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 53 GLN : amide:sc= -1.3 K(o=-4.4,f=-2.7) USER MOD Set 1.2: A 99 GLN : amide:sc= -2.34 K(o=-4.4,f=-2.1) USER MOD Set 1.3: A 102 TYR OH : rot 180:sc= -0.778 USER MOD Set 2.1: A 69 SER OG : rot 50:sc= -3.12! USER MOD Set 2.2: A 73 GLN : amide:sc= -3.85! C(o=-7!,f=-12!) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 138:sc= -0.0304 (180deg=-0.119) USER MOD Set 3.2: A 75 MET CE :methyl -126:sc= -0.724 (180deg=-1.73!) USER MOD Set 4.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 33 THR OG1 : rot 180:sc= -0.858 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -130:sc= -1.39 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.0237 (180deg=-0.234) USER MOD Single : A 31 GLN : amide:sc= -1.62! C(o=-1.6!,f=-1.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=-0.053) USER MOD Single : A 52 TYR OH : rot -15:sc= -0.362 USER MOD Single : A 57 LYS NZ :NH3+ 142:sc= 1.12 (180deg=0.7) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -111:sc= -0.326 (180deg=-2.1!) USER MOD Single : A 70 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-0.57) USER MOD Single : A 74 THR OG1 : rot 134:sc= 0.886 USER MOD Single : A 79 ASN : amide:sc= -0.852 K(o=-0.85,f=-0.14) USER MOD Single : A 80 ASN : amide:sc= -0.086 K(o=-0.086,f=-1.9!) USER MOD Single : A 84 ASN : amide:sc= -1.7 K(o=-1.7,f=0.37) USER MOD Single : A 85 THR OG1 : rot 65:sc= 0.531 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -177:sc= 0.102 USER MOD Single : A 95 ASN : amide:sc= -11.9! C(o=-12!,f=-22!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -102:sc= 1.25 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot -158:sc= 1.53 USER MOD ----------------------------------------------------------------- ATOM 208 N VAL A 17 -12.835 -12.303 2.074 1.00 0.00 N ATOM 209 CA VAL A 17 -12.102 -11.065 1.835 1.00 0.00 C ATOM 210 C VAL A 17 -10.638 -11.345 1.517 1.00 0.00 C ATOM 211 O VAL A 17 -10.046 -12.312 2.000 1.00 0.00 O ATOM 212 CB VAL A 17 -12.180 -10.123 3.051 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.594 -9.588 3.223 1.00 0.00 C ATOM 214 CG2 VAL A 17 -11.716 -10.839 4.310 1.00 0.00 C ATOM 0 HA VAL A 17 -12.571 -10.581 0.978 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.516 -9.277 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.629 -8.924 4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.885 -9.036 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.282 -10.420 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.778 -10.159 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.353 -11.705 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.685 -11.168 4.183 1.00 0.00 H new ATOM 224 N PRO A 18 -10.036 -10.481 0.687 1.00 0.00 N ATOM 225 CA PRO A 18 -8.632 -10.615 0.286 1.00 0.00 C ATOM 226 C PRO A 18 -7.672 -10.330 1.435 1.00 0.00 C ATOM 227 O PRO A 18 -7.967 -9.525 2.318 1.00 0.00 O ATOM 228 CB PRO A 18 -8.476 -9.563 -0.816 1.00 0.00 C ATOM 229 CG PRO A 18 -9.527 -8.548 -0.522 1.00 0.00 C ATOM 230 CD PRO A 18 -10.681 -9.308 0.074 1.00 0.00 C ATOM 0 HA PRO A 18 -8.395 -11.629 -0.037 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.481 -9.118 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.614 -10.001 -1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.157 -7.793 0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.830 -8.026 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.216 -8.712 0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.406 -9.599 -0.686 1.00 0.00 H new ATOM 238 N SER A 19 -6.521 -10.994 1.417 1.00 0.00 N ATOM 239 CA SER A 19 -5.518 -10.814 2.461 1.00 0.00 C ATOM 240 C SER A 19 -4.757 -9.507 2.262 1.00 0.00 C ATOM 241 O SER A 19 -4.790 -8.914 1.184 1.00 0.00 O ATOM 242 CB SER A 19 -4.541 -11.991 2.467 1.00 0.00 C ATOM 243 OG SER A 19 -3.769 -12.007 3.655 1.00 0.00 O ATOM 0 H SER A 19 -6.259 -11.661 0.691 1.00 0.00 H new ATOM 0 HA SER A 19 -6.031 -10.773 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.093 -12.926 2.376 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.881 -11.925 1.602 1.00 0.00 H new ATOM 0 HG SER A 19 -3.154 -12.770 3.635 1.00 0.00 H new ATOM 249 N SER A 20 -4.070 -9.064 3.311 1.00 0.00 N ATOM 250 CA SER A 20 -3.303 -7.825 3.254 1.00 0.00 C ATOM 251 C SER A 20 -2.108 -7.970 2.317 1.00 0.00 C ATOM 252 O SER A 20 -1.448 -9.007 2.267 1.00 0.00 O ATOM 253 CB SER A 20 -2.824 -7.433 4.653 1.00 0.00 C ATOM 254 OG SER A 20 -1.601 -6.721 4.592 1.00 0.00 O ATOM 0 H SER A 20 -4.029 -9.545 4.210 1.00 0.00 H new ATOM 0 HA SER A 20 -3.953 -7.040 2.867 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.581 -6.820 5.142 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.697 -8.328 5.262 1.00 0.00 H new ATOM 0 HG SER A 20 -0.960 -7.117 5.219 1.00 0.00 H new ATOM 260 N PRO A 21 -1.822 -6.902 1.556 1.00 0.00 N ATOM 261 CA PRO A 21 -0.704 -6.884 0.606 1.00 0.00 C ATOM 262 C PRO A 21 0.650 -6.871 1.305 1.00 0.00 C ATOM 263 O PRO A 21 0.739 -6.597 2.502 1.00 0.00 O ATOM 264 CB PRO A 21 -0.920 -5.581 -0.169 1.00 0.00 C ATOM 265 CG PRO A 21 -1.690 -4.710 0.762 1.00 0.00 C ATOM 266 CD PRO A 21 -2.566 -5.632 1.564 1.00 0.00 C ATOM 0 HA PRO A 21 -0.689 -7.773 -0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.030 -5.123 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.470 -5.757 -1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.021 -4.145 1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.288 -3.984 0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.718 -5.261 2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.553 -5.741 1.114 1.00 0.00 H new ATOM 274 N TYR A 22 1.703 -7.167 0.551 1.00 0.00 N ATOM 275 CA TYR A 22 3.054 -7.191 1.100 1.00 0.00 C ATOM 276 C TYR A 22 4.036 -6.503 0.158 1.00 0.00 C ATOM 277 O TYR A 22 3.679 -6.109 -0.952 1.00 0.00 O ATOM 278 CB TYR A 22 3.498 -8.632 1.353 1.00 0.00 C ATOM 279 CG TYR A 22 3.310 -9.543 0.160 1.00 0.00 C ATOM 280 CD1 TYR A 22 4.153 -9.463 -0.940 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.287 -10.484 0.136 1.00 0.00 C ATOM 282 CE1 TYR A 22 3.984 -10.292 -2.031 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.111 -11.319 -0.951 1.00 0.00 C ATOM 284 CZ TYR A 22 2.962 -11.219 -2.033 1.00 0.00 C ATOM 285 OH TYR A 22 2.791 -12.047 -3.118 1.00 0.00 O ATOM 0 H TYR A 22 1.647 -7.394 -0.442 1.00 0.00 H new ATOM 0 HA TYR A 22 3.045 -6.649 2.046 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.550 -8.634 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.937 -9.033 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.955 -8.740 -0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.619 -10.564 0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.649 -10.215 -2.879 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.312 -12.046 -0.954 1.00 0.00 H new ATOM 0 HH TYR A 22 2.028 -12.641 -2.959 1.00 0.00 H new ATOM 295 N GLY A 23 5.279 -6.360 0.609 1.00 0.00 N ATOM 296 CA GLY A 23 6.296 -5.720 -0.205 1.00 0.00 C ATOM 297 C GLY A 23 6.091 -4.223 -0.315 1.00 0.00 C ATOM 298 O GLY A 23 6.699 -3.566 -1.161 1.00 0.00 O ATOM 0 H GLY A 23 5.600 -6.676 1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.278 -5.919 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.288 -6.159 -1.203 1.00 0.00 H new ATOM 302 N VAL A 24 5.231 -3.679 0.541 1.00 0.00 N ATOM 303 CA VAL A 24 4.947 -2.249 0.537 1.00 0.00 C ATOM 304 C VAL A 24 6.205 -1.438 0.828 1.00 0.00 C ATOM 305 O VAL A 24 6.863 -1.639 1.849 1.00 0.00 O ATOM 306 CB VAL A 24 3.866 -1.888 1.571 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.663 -0.381 1.629 1.00 0.00 C ATOM 308 CG2 VAL A 24 2.560 -2.597 1.246 1.00 0.00 C ATOM 0 H VAL A 24 4.719 -4.208 1.247 1.00 0.00 H new ATOM 0 HA VAL A 24 4.582 -2.002 -0.460 1.00 0.00 H new ATOM 0 HB VAL A 24 4.201 -2.223 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.895 -0.145 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.598 0.101 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.350 -0.018 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.807 -2.330 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.218 -2.294 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.718 -3.675 1.261 1.00 0.00 H new ATOM 318 N LYS A 25 6.534 -0.521 -0.076 1.00 0.00 N ATOM 319 CA LYS A 25 7.712 0.323 0.084 1.00 0.00 C ATOM 320 C LYS A 25 7.613 1.567 -0.794 1.00 0.00 C ATOM 321 O LYS A 25 7.157 1.496 -1.935 1.00 0.00 O ATOM 322 CB LYS A 25 8.978 -0.462 -0.265 1.00 0.00 C ATOM 323 CG LYS A 25 8.886 -1.210 -1.583 1.00 0.00 C ATOM 324 CD LYS A 25 9.367 -0.354 -2.743 1.00 0.00 C ATOM 325 CE LYS A 25 9.931 -1.208 -3.869 1.00 0.00 C ATOM 326 NZ LYS A 25 11.229 -1.834 -3.494 1.00 0.00 N ATOM 0 H LYS A 25 6.001 -0.344 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 25 7.764 0.639 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.822 0.226 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.185 -1.174 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.483 -2.120 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.854 -1.516 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.540 0.248 -3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.132 0.339 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.214 -1.987 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.068 -0.592 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.733 -2.130 -4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.809 -1.146 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.053 -2.664 -2.893 1.00 0.00 H new ATOM 340 N ILE A 26 8.045 2.701 -0.255 1.00 0.00 N ATOM 341 CA ILE A 26 8.008 3.959 -0.992 1.00 0.00 C ATOM 342 C ILE A 26 9.206 4.084 -1.927 1.00 0.00 C ATOM 343 O ILE A 26 10.330 4.322 -1.484 1.00 0.00 O ATOM 344 CB ILE A 26 7.986 5.168 -0.040 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.031 4.910 1.127 1.00 0.00 C ATOM 346 CG2 ILE A 26 7.582 6.428 -0.793 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.634 4.525 0.690 1.00 0.00 C ATOM 0 H ILE A 26 8.425 2.776 0.689 1.00 0.00 H new ATOM 0 HA ILE A 26 7.090 3.953 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 26 8.989 5.313 0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.440 4.116 1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.976 5.806 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.571 7.274 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.297 6.619 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.588 6.294 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.011 4.357 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.206 5.328 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.677 3.612 0.096 1.00 0.00 H new ATOM 359 N ILE A 27 8.958 3.923 -3.222 1.00 0.00 N ATOM 360 CA ILE A 27 10.016 4.022 -4.221 1.00 0.00 C ATOM 361 C ILE A 27 10.303 5.476 -4.577 1.00 0.00 C ATOM 362 O ILE A 27 11.458 5.869 -4.737 1.00 0.00 O ATOM 363 CB ILE A 27 9.651 3.253 -5.504 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.340 3.783 -6.087 1.00 0.00 C ATOM 365 CG2 ILE A 27 9.546 1.762 -5.218 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.965 3.147 -7.408 1.00 0.00 C ATOM 0 H ILE A 27 8.034 3.723 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 27 10.908 3.576 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 27 10.442 3.407 -6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.537 3.612 -5.370 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.422 4.861 -6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.287 1.233 -6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.502 1.395 -4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.773 1.589 -4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.025 3.571 -7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.749 3.340 -8.140 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.851 2.071 -7.274 1.00 0.00 H new ATOM 378 N GLU A 28 9.244 6.271 -4.696 1.00 0.00 N ATOM 379 CA GLU A 28 9.383 7.683 -5.031 1.00 0.00 C ATOM 380 C GLU A 28 8.885 8.565 -3.890 1.00 0.00 C ATOM 381 O GLU A 28 7.713 8.942 -3.847 1.00 0.00 O ATOM 382 CB GLU A 28 8.611 8.004 -6.313 1.00 0.00 C ATOM 383 CG GLU A 28 9.134 7.272 -7.538 1.00 0.00 C ATOM 384 CD GLU A 28 8.915 8.049 -8.820 1.00 0.00 C ATOM 385 OE1 GLU A 28 8.921 9.298 -8.765 1.00 0.00 O ATOM 386 OE2 GLU A 28 8.737 7.411 -9.878 1.00 0.00 O ATOM 0 H GLU A 28 8.281 5.961 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 28 10.441 7.890 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.561 7.749 -6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.656 9.078 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.199 7.078 -7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.640 6.303 -7.616 1.00 0.00 H new ATOM 393 N LEU A 29 9.782 8.891 -2.967 1.00 0.00 N ATOM 394 CA LEU A 29 9.435 9.728 -1.824 1.00 0.00 C ATOM 395 C LEU A 29 9.946 11.153 -2.018 1.00 0.00 C ATOM 396 O LEU A 29 11.126 11.367 -2.294 1.00 0.00 O ATOM 397 CB LEU A 29 10.015 9.136 -0.538 1.00 0.00 C ATOM 398 CG LEU A 29 9.218 9.399 0.741 1.00 0.00 C ATOM 399 CD1 LEU A 29 9.938 8.818 1.947 1.00 0.00 C ATOM 400 CD2 LEU A 29 8.985 10.892 0.925 1.00 0.00 C ATOM 0 H LEU A 29 10.756 8.588 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 29 8.348 9.759 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.109 8.058 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.022 9.530 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 29 8.249 8.908 0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.356 9.015 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.054 7.742 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.921 9.280 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.417 11.062 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.945 11.404 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.427 11.281 0.073 1.00 0.00 H new ATOM 412 N SER A 30 9.050 12.122 -1.868 1.00 0.00 N ATOM 413 CA SER A 30 9.409 13.526 -2.027 1.00 0.00 C ATOM 414 C SER A 30 9.126 14.309 -0.749 1.00 0.00 C ATOM 415 O SER A 30 8.724 13.737 0.264 1.00 0.00 O ATOM 416 CB SER A 30 8.639 14.142 -3.196 1.00 0.00 C ATOM 417 OG SER A 30 8.920 13.462 -4.407 1.00 0.00 O ATOM 0 H SER A 30 8.070 11.961 -1.637 1.00 0.00 H new ATOM 0 HA SER A 30 10.478 13.580 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.569 14.101 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.905 15.194 -3.296 1.00 0.00 H new ATOM 0 HG SER A 30 8.414 13.874 -5.138 1.00 0.00 H new ATOM 423 N GLN A 31 9.338 15.619 -0.804 1.00 0.00 N ATOM 424 CA GLN A 31 9.106 16.481 0.349 1.00 0.00 C ATOM 425 C GLN A 31 7.627 16.833 0.477 1.00 0.00 C ATOM 426 O GLN A 31 7.147 17.160 1.563 1.00 0.00 O ATOM 427 CB GLN A 31 9.939 17.759 0.234 1.00 0.00 C ATOM 428 CG GLN A 31 9.830 18.436 -1.123 1.00 0.00 C ATOM 429 CD GLN A 31 10.877 17.944 -2.105 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.551 17.495 -3.204 1.00 0.00 O ATOM 431 NE2 GLN A 31 12.143 18.029 -1.712 1.00 0.00 N ATOM 0 H GLN A 31 9.670 16.108 -1.635 1.00 0.00 H new ATOM 0 HA GLN A 31 9.410 15.938 1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.623 18.460 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.985 17.520 0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.837 18.257 -1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.933 19.514 -0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.367 18.408 -0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.891 17.715 -2.330 1.00 0.00 H new ATOM 440 N THR A 32 6.909 16.764 -0.639 1.00 0.00 N ATOM 441 CA THR A 32 5.486 17.077 -0.652 1.00 0.00 C ATOM 442 C THR A 32 4.667 15.895 -1.158 1.00 0.00 C ATOM 443 O THR A 32 3.481 15.771 -0.853 1.00 0.00 O ATOM 444 CB THR A 32 5.189 18.307 -1.532 1.00 0.00 C ATOM 445 OG1 THR A 32 5.795 18.146 -2.819 1.00 0.00 O ATOM 446 CG2 THR A 32 5.706 19.579 -0.878 1.00 0.00 C ATOM 0 H THR A 32 7.290 16.494 -1.546 1.00 0.00 H new ATOM 0 HA THR A 32 5.202 17.298 0.377 1.00 0.00 H new ATOM 0 HB THR A 32 4.108 18.391 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.600 18.931 -3.373 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.485 20.433 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.221 19.714 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.784 19.502 -0.735 1.00 0.00 H new ATOM 454 N THR A 33 5.308 15.025 -1.933 1.00 0.00 N ATOM 455 CA THR A 33 4.640 13.853 -2.481 1.00 0.00 C ATOM 456 C THR A 33 5.304 12.567 -2.004 1.00 0.00 C ATOM 457 O THR A 33 6.433 12.585 -1.513 1.00 0.00 O ATOM 458 CB THR A 33 4.640 13.875 -4.022 1.00 0.00 C ATOM 459 OG1 THR A 33 5.909 14.330 -4.505 1.00 0.00 O ATOM 460 CG2 THR A 33 3.536 14.778 -4.551 1.00 0.00 C ATOM 0 H THR A 33 6.290 15.111 -2.195 1.00 0.00 H new ATOM 0 HA THR A 33 3.611 13.881 -2.124 1.00 0.00 H new ATOM 0 HB THR A 33 4.459 12.861 -4.378 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.902 14.340 -5.485 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.556 14.777 -5.641 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.569 14.411 -4.206 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.690 15.793 -4.186 1.00 0.00 H new ATOM 468 N ALA A 34 4.598 11.451 -2.149 1.00 0.00 N ATOM 469 CA ALA A 34 5.120 10.155 -1.735 1.00 0.00 C ATOM 470 C ALA A 34 4.398 9.018 -2.448 1.00 0.00 C ATOM 471 O ALA A 34 3.173 8.911 -2.387 1.00 0.00 O ATOM 472 CB ALA A 34 4.999 9.996 -0.226 1.00 0.00 C ATOM 0 H ALA A 34 3.661 11.419 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 34 6.173 10.110 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.392 9.024 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.567 10.783 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.951 10.067 0.064 1.00 0.00 H new ATOM 478 N LYS A 35 5.165 8.169 -3.125 1.00 0.00 N ATOM 479 CA LYS A 35 4.599 7.038 -3.850 1.00 0.00 C ATOM 480 C LYS A 35 4.725 5.753 -3.039 1.00 0.00 C ATOM 481 O LYS A 35 5.745 5.514 -2.391 1.00 0.00 O ATOM 482 CB LYS A 35 5.298 6.871 -5.202 1.00 0.00 C ATOM 483 CG LYS A 35 4.615 5.874 -6.121 1.00 0.00 C ATOM 484 CD LYS A 35 5.299 5.806 -7.476 1.00 0.00 C ATOM 485 CE LYS A 35 4.819 6.916 -8.399 1.00 0.00 C ATOM 486 NZ LYS A 35 3.438 6.665 -8.897 1.00 0.00 N ATOM 0 H LYS A 35 6.180 8.243 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 35 3.541 7.239 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.343 7.839 -5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.326 6.551 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.623 4.887 -5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.570 6.156 -6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.378 5.882 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.102 4.838 -7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.846 7.867 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.500 7.004 -9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.895 7.552 -8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.480 6.308 -9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.973 5.960 -8.290 1.00 0.00 H new ATOM 500 N VAL A 36 3.684 4.927 -3.081 1.00 0.00 N ATOM 501 CA VAL A 36 3.680 3.665 -2.351 1.00 0.00 C ATOM 502 C VAL A 36 3.486 2.485 -3.297 1.00 0.00 C ATOM 503 O VAL A 36 2.418 2.316 -3.884 1.00 0.00 O ATOM 504 CB VAL A 36 2.574 3.639 -1.280 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.279 4.213 -1.836 1.00 0.00 C ATOM 506 CG2 VAL A 36 2.362 2.222 -0.769 1.00 0.00 C ATOM 0 H VAL A 36 2.833 5.109 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 36 4.650 3.579 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 36 2.889 4.260 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.509 4.187 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.443 5.244 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.956 3.620 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.577 2.222 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.069 1.577 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.288 1.851 -0.331 1.00 0.00 H new ATOM 516 N SER A 37 4.526 1.669 -3.439 1.00 0.00 N ATOM 517 CA SER A 37 4.471 0.506 -4.316 1.00 0.00 C ATOM 518 C SER A 37 4.446 -0.785 -3.503 1.00 0.00 C ATOM 519 O SER A 37 5.272 -0.989 -2.613 1.00 0.00 O ATOM 520 CB SER A 37 5.669 0.500 -5.266 1.00 0.00 C ATOM 521 OG SER A 37 5.720 -0.701 -6.016 1.00 0.00 O ATOM 0 H SER A 37 5.417 1.792 -2.958 1.00 0.00 H new ATOM 0 HA SER A 37 3.553 0.565 -4.901 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.605 1.352 -5.943 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.590 0.615 -4.695 1.00 0.00 H new ATOM 0 HG SER A 37 6.494 -0.679 -6.617 1.00 0.00 H new ATOM 527 N PHE A 38 3.491 -1.656 -3.817 1.00 0.00 N ATOM 528 CA PHE A 38 3.356 -2.927 -3.117 1.00 0.00 C ATOM 529 C PHE A 38 3.102 -4.066 -4.100 1.00 0.00 C ATOM 530 O PHE A 38 3.024 -3.850 -5.309 1.00 0.00 O ATOM 531 CB PHE A 38 2.218 -2.855 -2.098 1.00 0.00 C ATOM 532 CG PHE A 38 1.063 -2.008 -2.550 1.00 0.00 C ATOM 533 CD1 PHE A 38 1.143 -0.626 -2.514 1.00 0.00 C ATOM 534 CD2 PHE A 38 -0.106 -2.596 -3.010 1.00 0.00 C ATOM 535 CE1 PHE A 38 0.082 0.157 -2.930 1.00 0.00 C ATOM 536 CE2 PHE A 38 -1.170 -1.818 -3.428 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.076 -0.441 -3.386 1.00 0.00 C ATOM 0 H PHE A 38 2.800 -1.504 -4.552 1.00 0.00 H new ATOM 0 HA PHE A 38 4.291 -3.125 -2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.860 -3.864 -1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.605 -2.457 -1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.046 -0.154 -2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.186 -3.673 -3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.159 1.234 -2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.074 -2.287 -3.787 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.907 0.168 -3.710 1.00 0.00 H new ATOM 547 N ASN A 39 2.974 -5.279 -3.573 1.00 0.00 N ATOM 548 CA ASN A 39 2.730 -6.452 -4.403 1.00 0.00 C ATOM 549 C ASN A 39 1.372 -7.071 -4.085 1.00 0.00 C ATOM 550 O ASN A 39 1.014 -7.246 -2.919 1.00 0.00 O ATOM 551 CB ASN A 39 3.836 -7.489 -4.198 1.00 0.00 C ATOM 552 CG ASN A 39 5.204 -6.959 -4.583 1.00 0.00 C ATOM 553 OD1 ASN A 39 5.364 -6.321 -5.623 1.00 0.00 O ATOM 554 ND2 ASN A 39 6.199 -7.223 -3.743 1.00 0.00 N ATOM 0 H ASN A 39 3.035 -5.475 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 39 2.730 -6.133 -5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.850 -7.799 -3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.613 -8.376 -4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.142 -6.893 -3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.020 -7.756 -2.892 1.00 0.00 H new ATOM 561 N LYS A 40 0.619 -7.401 -5.129 1.00 0.00 N ATOM 562 CA LYS A 40 -0.699 -8.003 -4.963 1.00 0.00 C ATOM 563 C LYS A 40 -0.696 -9.012 -3.818 1.00 0.00 C ATOM 564 O LYS A 40 0.328 -9.612 -3.490 1.00 0.00 O ATOM 565 CB LYS A 40 -1.138 -8.687 -6.259 1.00 0.00 C ATOM 566 CG LYS A 40 -1.790 -7.743 -7.254 1.00 0.00 C ATOM 567 CD LYS A 40 -2.745 -8.480 -8.178 1.00 0.00 C ATOM 568 CE LYS A 40 -3.030 -7.678 -9.438 1.00 0.00 C ATOM 569 NZ LYS A 40 -3.674 -8.512 -10.492 1.00 0.00 N ATOM 0 H LYS A 40 0.899 -7.262 -6.100 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.406 -7.209 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.270 -9.152 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.837 -9.488 -6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.331 -6.964 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.020 -7.247 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.319 -9.446 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.679 -8.680 -7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.678 -6.836 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.099 -7.262 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.852 -7.929 -11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.045 -9.301 -10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.575 -8.888 -10.134 1.00 0.00 H new ATOM 583 N PRO A 41 -1.869 -9.206 -3.196 1.00 0.00 N ATOM 584 CA PRO A 41 -2.027 -10.145 -2.081 1.00 0.00 C ATOM 585 C PRO A 41 -1.910 -11.599 -2.525 1.00 0.00 C ATOM 586 O PRO A 41 -2.562 -12.019 -3.481 1.00 0.00 O ATOM 587 CB PRO A 41 -3.440 -9.853 -1.571 1.00 0.00 C ATOM 588 CG PRO A 41 -4.159 -9.288 -2.747 1.00 0.00 C ATOM 589 CD PRO A 41 -3.130 -8.525 -3.534 1.00 0.00 C ATOM 0 HA PRO A 41 -1.251 -10.016 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.925 -10.759 -1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.423 -9.147 -0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.603 -10.080 -3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.972 -8.634 -2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.333 -8.563 -4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.107 -7.473 -3.251 1.00 0.00 H new ATOM 652 N VAL A 47 -13.206 -13.806 -5.111 1.00 0.00 N ATOM 653 CA VAL A 47 -13.605 -12.837 -6.124 1.00 0.00 C ATOM 654 C VAL A 47 -12.452 -11.905 -6.478 1.00 0.00 C ATOM 655 O VAL A 47 -11.549 -11.662 -5.676 1.00 0.00 O ATOM 656 CB VAL A 47 -14.805 -11.994 -5.655 1.00 0.00 C ATOM 657 CG1 VAL A 47 -16.079 -12.826 -5.662 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.543 -11.419 -4.270 1.00 0.00 C ATOM 0 HA VAL A 47 -13.894 -13.406 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.937 -11.165 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.916 -12.213 -5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.273 -13.185 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.962 -13.677 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.401 -10.826 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.384 -12.233 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.656 -10.786 -4.301 1.00 0.00 H new ATOM 668 N PRO A 48 -12.479 -11.370 -7.708 1.00 0.00 N ATOM 669 CA PRO A 48 -11.442 -10.455 -8.197 1.00 0.00 C ATOM 670 C PRO A 48 -11.491 -9.100 -7.499 1.00 0.00 C ATOM 671 O PRO A 48 -12.542 -8.460 -7.436 1.00 0.00 O ATOM 672 CB PRO A 48 -11.776 -10.304 -9.683 1.00 0.00 C ATOM 673 CG PRO A 48 -13.235 -10.590 -9.776 1.00 0.00 C ATOM 674 CD PRO A 48 -13.523 -11.617 -8.716 1.00 0.00 C ATOM 0 HA PRO A 48 -10.438 -10.836 -8.008 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.546 -9.300 -10.040 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.197 -10.999 -10.291 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.821 -9.686 -9.613 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.497 -10.966 -10.765 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -14.522 -11.494 -8.298 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.466 -12.631 -9.113 1.00 0.00 H new ATOM 682 N ILE A 49 -10.348 -8.667 -6.978 1.00 0.00 N ATOM 683 CA ILE A 49 -10.260 -7.386 -6.287 1.00 0.00 C ATOM 684 C ILE A 49 -10.750 -6.248 -7.175 1.00 0.00 C ATOM 685 O ILE A 49 -10.444 -6.202 -8.367 1.00 0.00 O ATOM 686 CB ILE A 49 -8.818 -7.088 -5.836 1.00 0.00 C ATOM 687 CG1 ILE A 49 -8.364 -8.113 -4.794 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.720 -5.677 -5.276 1.00 0.00 C ATOM 689 CD1 ILE A 49 -6.872 -8.098 -4.544 1.00 0.00 C ATOM 0 H ILE A 49 -9.470 -9.184 -7.021 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.899 -7.457 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.159 -7.162 -6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.884 -7.920 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.659 -9.109 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.695 -5.481 -4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.007 -4.960 -6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.388 -5.578 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.621 -8.849 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.345 -8.321 -5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.573 -7.113 -4.185 1.00 0.00 H new ATOM 701 N HIS A 50 -11.510 -5.330 -6.587 1.00 0.00 N ATOM 702 CA HIS A 50 -12.040 -4.189 -7.324 1.00 0.00 C ATOM 703 C HIS A 50 -11.044 -3.032 -7.324 1.00 0.00 C ATOM 704 O HIS A 50 -10.732 -2.468 -8.373 1.00 0.00 O ATOM 705 CB HIS A 50 -13.367 -3.733 -6.716 1.00 0.00 C ATOM 706 CG HIS A 50 -14.294 -3.101 -7.709 1.00 0.00 C ATOM 707 ND1 HIS A 50 -15.543 -3.607 -7.999 1.00 0.00 N ATOM 708 CD2 HIS A 50 -14.148 -1.996 -8.477 1.00 0.00 C ATOM 709 CE1 HIS A 50 -16.125 -2.840 -8.906 1.00 0.00 C ATOM 710 NE2 HIS A 50 -15.299 -1.856 -9.212 1.00 0.00 N ATOM 0 H HIS A 50 -11.773 -5.354 -5.602 1.00 0.00 H new ATOM 0 HA HIS A 50 -12.209 -4.501 -8.355 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.863 -4.591 -6.262 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.165 -3.021 -5.915 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.286 -1.346 -8.506 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -17.109 -2.993 -9.325 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.486 -1.113 -9.885 1.00 0.00 H new ATOM 719 N HIS A 51 -10.547 -2.684 -6.141 1.00 0.00 N ATOM 720 CA HIS A 51 -9.587 -1.594 -6.005 1.00 0.00 C ATOM 721 C HIS A 51 -8.889 -1.652 -4.650 1.00 0.00 C ATOM 722 O HIS A 51 -9.222 -2.481 -3.803 1.00 0.00 O ATOM 723 CB HIS A 51 -10.287 -0.246 -6.175 1.00 0.00 C ATOM 724 CG HIS A 51 -11.109 0.155 -4.989 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.384 -0.319 -4.762 1.00 0.00 N ATOM 726 CD2 HIS A 51 -10.832 0.990 -3.961 1.00 0.00 C ATOM 727 CE1 HIS A 51 -12.855 0.208 -3.646 1.00 0.00 C ATOM 728 NE2 HIS A 51 -11.933 1.005 -3.140 1.00 0.00 N ATOM 0 H HIS A 51 -10.793 -3.141 -5.263 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.835 -1.705 -6.786 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.537 0.522 -6.364 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.929 -0.288 -7.055 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.916 1.542 -3.813 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.829 0.019 -3.220 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.023 1.545 -2.279 1.00 0.00 H new ATOM 737 N TYR A 52 -7.918 -0.768 -4.453 1.00 0.00 N ATOM 738 CA TYR A 52 -7.170 -0.720 -3.203 1.00 0.00 C ATOM 739 C TYR A 52 -7.487 0.555 -2.427 1.00 0.00 C ATOM 740 O TYR A 52 -7.705 1.614 -3.015 1.00 0.00 O ATOM 741 CB TYR A 52 -5.668 -0.802 -3.479 1.00 0.00 C ATOM 742 CG TYR A 52 -5.221 -2.147 -4.004 1.00 0.00 C ATOM 743 CD1 TYR A 52 -5.365 -2.474 -5.346 1.00 0.00 C ATOM 744 CD2 TYR A 52 -4.653 -3.090 -3.157 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.959 -3.703 -5.829 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.242 -4.321 -3.632 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.397 -4.623 -4.969 1.00 0.00 C ATOM 748 OH TYR A 52 -3.991 -5.848 -5.447 1.00 0.00 O ATOM 0 H TYR A 52 -7.630 -0.074 -5.143 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.468 -1.576 -2.598 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.397 -0.032 -4.201 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.126 -0.582 -2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.802 -1.755 -6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.530 -2.857 -2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.081 -3.942 -6.875 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.802 -5.043 -2.960 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.380 -5.999 -6.334 1.00 0.00 H new ATOM 758 N GLN A 53 -7.510 0.443 -1.102 1.00 0.00 N ATOM 759 CA GLN A 53 -7.800 1.586 -0.245 1.00 0.00 C ATOM 760 C GLN A 53 -6.552 2.030 0.512 1.00 0.00 C ATOM 761 O GLN A 53 -5.910 1.231 1.193 1.00 0.00 O ATOM 762 CB GLN A 53 -8.914 1.239 0.744 1.00 0.00 C ATOM 763 CG GLN A 53 -9.621 2.456 1.318 1.00 0.00 C ATOM 764 CD GLN A 53 -11.065 2.176 1.679 1.00 0.00 C ATOM 765 OE1 GLN A 53 -11.786 1.512 0.935 1.00 0.00 O ATOM 766 NE2 GLN A 53 -11.497 2.683 2.828 1.00 0.00 N ATOM 0 H GLN A 53 -7.331 -0.427 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.130 2.409 -0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.647 0.606 0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.493 0.655 1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.088 2.796 2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.583 3.269 0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.865 3.228 3.415 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.461 2.527 3.124 1.00 0.00 H new ATOM 775 N VAL A 54 -6.214 3.309 0.387 1.00 0.00 N ATOM 776 CA VAL A 54 -5.043 3.860 1.060 1.00 0.00 C ATOM 777 C VAL A 54 -5.436 4.980 2.017 1.00 0.00 C ATOM 778 O VAL A 54 -6.108 5.936 1.628 1.00 0.00 O ATOM 779 CB VAL A 54 -4.017 4.400 0.047 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.834 5.028 0.768 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.556 3.292 -0.887 1.00 0.00 C ATOM 0 H VAL A 54 -6.734 3.984 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.590 3.046 1.626 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.497 5.173 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.119 5.404 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.183 5.852 1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.351 4.279 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.831 3.692 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.093 2.495 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.413 2.894 -1.430 1.00 0.00 H new ATOM 791 N ASP A 55 -5.011 4.856 3.270 1.00 0.00 N ATOM 792 CA ASP A 55 -5.315 5.859 4.283 1.00 0.00 C ATOM 793 C ASP A 55 -4.036 6.455 4.860 1.00 0.00 C ATOM 794 O ASP A 55 -3.265 5.767 5.531 1.00 0.00 O ATOM 795 CB ASP A 55 -6.157 5.244 5.402 1.00 0.00 C ATOM 796 CG ASP A 55 -7.087 6.252 6.049 1.00 0.00 C ATOM 797 OD1 ASP A 55 -7.258 7.351 5.481 1.00 0.00 O ATOM 798 OD2 ASP A 55 -7.644 5.942 7.123 1.00 0.00 O ATOM 0 H ASP A 55 -4.455 4.070 3.608 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.883 6.659 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.744 4.419 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.497 4.824 6.161 1.00 0.00 H new ATOM 803 N VAL A 56 -3.814 7.738 4.595 1.00 0.00 N ATOM 804 CA VAL A 56 -2.628 8.428 5.087 1.00 0.00 C ATOM 805 C VAL A 56 -3.007 9.630 5.944 1.00 0.00 C ATOM 806 O VAL A 56 -4.051 10.248 5.741 1.00 0.00 O ATOM 807 CB VAL A 56 -1.732 8.901 3.927 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.431 9.983 3.118 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.395 9.399 4.456 1.00 0.00 C ATOM 0 H VAL A 56 -4.441 8.322 4.041 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.075 7.712 5.695 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.544 8.054 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.782 10.304 2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.360 9.587 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.652 10.834 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.226 9.729 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.561 10.233 5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.110 8.592 4.987 1.00 0.00 H new ATOM 819 N LYS A 57 -2.151 9.957 6.906 1.00 0.00 N ATOM 820 CA LYS A 57 -2.393 11.087 7.796 1.00 0.00 C ATOM 821 C LYS A 57 -1.166 11.377 8.655 1.00 0.00 C ATOM 822 O LYS A 57 -0.221 10.590 8.685 1.00 0.00 O ATOM 823 CB LYS A 57 -3.601 10.806 8.692 1.00 0.00 C ATOM 824 CG LYS A 57 -3.241 10.137 10.007 1.00 0.00 C ATOM 825 CD LYS A 57 -4.442 10.046 10.934 1.00 0.00 C ATOM 826 CE LYS A 57 -4.139 9.194 12.157 1.00 0.00 C ATOM 827 NZ LYS A 57 -3.179 9.863 13.077 1.00 0.00 N ATOM 0 H LYS A 57 -1.282 9.455 7.090 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.599 11.963 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.114 11.745 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.304 10.172 8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.853 9.137 9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.445 10.698 10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.735 11.047 11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.288 9.621 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.066 8.983 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.729 8.236 11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.450 9.670 14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.221 9.498 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.194 10.889 12.908 1.00 0.00 H new ATOM 841 N GLU A 58 -1.190 12.509 9.351 1.00 0.00 N ATOM 842 CA GLU A 58 -0.080 12.901 10.211 1.00 0.00 C ATOM 843 C GLU A 58 -0.140 12.166 11.547 1.00 0.00 C ATOM 844 O GLU A 58 -1.195 12.090 12.179 1.00 0.00 O ATOM 845 CB GLU A 58 -0.095 14.411 10.446 1.00 0.00 C ATOM 846 CG GLU A 58 0.685 15.198 9.407 1.00 0.00 C ATOM 847 CD GLU A 58 0.290 16.662 9.363 1.00 0.00 C ATOM 848 OE1 GLU A 58 -0.747 16.979 8.746 1.00 0.00 O ATOM 849 OE2 GLU A 58 1.019 17.489 9.949 1.00 0.00 O ATOM 0 H GLU A 58 -1.966 13.171 9.336 1.00 0.00 H new ATOM 0 HA GLU A 58 0.848 12.629 9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.128 14.759 10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.318 14.620 11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.751 15.120 9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.525 14.753 8.425 1.00 0.00 H new ATOM 856 N VAL A 59 0.997 11.625 11.971 1.00 0.00 N ATOM 857 CA VAL A 59 1.075 10.897 13.232 1.00 0.00 C ATOM 858 C VAL A 59 0.558 11.744 14.389 1.00 0.00 C ATOM 859 O VAL A 59 0.291 11.233 15.474 1.00 0.00 O ATOM 860 CB VAL A 59 2.519 10.457 13.537 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.468 11.642 13.454 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.595 9.797 14.906 1.00 0.00 C ATOM 0 H VAL A 59 1.878 11.677 11.459 1.00 0.00 H new ATOM 0 HA VAL A 59 0.448 10.012 13.126 1.00 0.00 H new ATOM 0 HB VAL A 59 2.824 9.726 12.788 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.483 11.311 13.673 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.433 12.067 12.451 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.169 12.399 14.179 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.622 9.492 15.106 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.271 10.504 15.669 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.946 8.921 14.924 1.00 0.00 H new ATOM 872 N ALA A 60 0.418 13.044 14.147 1.00 0.00 N ATOM 873 CA ALA A 60 -0.069 13.963 15.167 1.00 0.00 C ATOM 874 C ALA A 60 -1.525 14.340 14.916 1.00 0.00 C ATOM 875 O ALA A 60 -2.259 14.677 15.845 1.00 0.00 O ATOM 876 CB ALA A 60 0.800 15.210 15.213 1.00 0.00 C ATOM 0 H ALA A 60 0.635 13.484 13.253 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.012 13.459 16.132 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.424 15.887 15.980 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.827 14.930 15.448 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.773 15.708 14.244 1.00 0.00 H new ATOM 882 N SER A 61 -1.937 14.282 13.653 1.00 0.00 N ATOM 883 CA SER A 61 -3.305 14.622 13.279 1.00 0.00 C ATOM 884 C SER A 61 -4.216 13.402 13.384 1.00 0.00 C ATOM 885 O SER A 61 -3.811 12.283 13.069 1.00 0.00 O ATOM 886 CB SER A 61 -3.343 15.180 11.856 1.00 0.00 C ATOM 887 OG SER A 61 -4.524 15.932 11.633 1.00 0.00 O ATOM 0 H SER A 61 -1.343 14.003 12.872 1.00 0.00 H new ATOM 0 HA SER A 61 -3.666 15.384 13.970 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.470 15.810 11.686 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.289 14.360 11.139 1.00 0.00 H new ATOM 0 HG SER A 61 -4.523 16.279 10.716 1.00 0.00 H new ATOM 893 N GLU A 62 -5.449 13.628 13.829 1.00 0.00 N ATOM 894 CA GLU A 62 -6.417 12.548 13.975 1.00 0.00 C ATOM 895 C GLU A 62 -7.384 12.520 12.795 1.00 0.00 C ATOM 896 O GLU A 62 -8.500 12.014 12.906 1.00 0.00 O ATOM 897 CB GLU A 62 -7.196 12.706 15.283 1.00 0.00 C ATOM 898 CG GLU A 62 -6.310 12.746 16.517 1.00 0.00 C ATOM 899 CD GLU A 62 -5.635 11.417 16.794 1.00 0.00 C ATOM 900 OE1 GLU A 62 -6.304 10.371 16.656 1.00 0.00 O ATOM 901 OE2 GLU A 62 -4.438 11.423 17.149 1.00 0.00 O ATOM 0 H GLU A 62 -5.800 14.548 14.094 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.871 11.605 13.997 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.784 13.623 15.238 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.901 11.880 15.379 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.549 13.516 16.389 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.910 13.032 17.381 1.00 0.00 H new ATOM 908 N ILE A 63 -6.946 13.068 11.667 1.00 0.00 N ATOM 909 CA ILE A 63 -7.772 13.105 10.466 1.00 0.00 C ATOM 910 C ILE A 63 -7.189 12.219 9.369 1.00 0.00 C ATOM 911 O ILE A 63 -6.188 12.567 8.744 1.00 0.00 O ATOM 912 CB ILE A 63 -7.918 14.540 9.927 1.00 0.00 C ATOM 913 CG1 ILE A 63 -8.562 15.441 10.982 1.00 0.00 C ATOM 914 CG2 ILE A 63 -8.739 14.545 8.645 1.00 0.00 C ATOM 915 CD1 ILE A 63 -8.562 16.907 10.607 1.00 0.00 C ATOM 0 H ILE A 63 -6.025 13.492 11.559 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.756 12.730 10.749 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.925 14.929 9.700 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.589 15.117 11.147 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.033 15.316 11.927 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.833 15.567 8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.242 13.932 7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.730 14.139 8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.034 17.486 11.401 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.536 17.248 10.471 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.116 17.045 9.679 1.00 0.00 H new ATOM 927 N TRP A 64 -7.823 11.075 9.143 1.00 0.00 N ATOM 928 CA TRP A 64 -7.368 10.140 8.120 1.00 0.00 C ATOM 929 C TRP A 64 -7.890 10.540 6.744 1.00 0.00 C ATOM 930 O TRP A 64 -9.071 10.848 6.583 1.00 0.00 O ATOM 931 CB TRP A 64 -7.824 8.719 8.459 1.00 0.00 C ATOM 932 CG TRP A 64 -7.035 8.090 9.566 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.307 8.149 10.904 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.842 7.309 9.432 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.356 7.452 11.608 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.446 6.926 10.729 1.00 0.00 C ATOM 937 CE3 TRP A 64 -5.071 6.894 8.343 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.314 6.151 10.962 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.948 6.125 8.576 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.579 5.759 9.878 1.00 0.00 C ATOM 0 H TRP A 64 -8.653 10.772 9.653 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.279 10.169 8.096 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.877 8.740 8.740 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.745 8.097 7.567 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.146 8.668 11.343 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.331 7.343 12.622 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.349 7.170 7.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.026 5.869 11.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.344 5.800 7.742 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.696 5.155 10.028 1.00 0.00 H new ATOM 951 N LYS A 65 -7.004 10.534 5.755 1.00 0.00 N ATOM 952 CA LYS A 65 -7.376 10.894 4.392 1.00 0.00 C ATOM 953 C LYS A 65 -7.298 9.683 3.468 1.00 0.00 C ATOM 954 O LYS A 65 -6.227 9.112 3.266 1.00 0.00 O ATOM 955 CB LYS A 65 -6.463 12.007 3.870 1.00 0.00 C ATOM 956 CG LYS A 65 -6.436 13.238 4.758 1.00 0.00 C ATOM 957 CD LYS A 65 -5.343 13.144 5.809 1.00 0.00 C ATOM 958 CE LYS A 65 -4.034 13.733 5.306 1.00 0.00 C ATOM 959 NZ LYS A 65 -3.218 14.299 6.416 1.00 0.00 N ATOM 0 H LYS A 65 -6.022 10.284 5.872 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.405 11.252 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.450 11.618 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.791 12.297 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.278 14.126 4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.403 13.356 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.657 13.670 6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.191 12.101 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.462 12.961 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.244 14.514 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.188 15.335 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.644 14.038 7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.251 13.919 6.365 1.00 0.00 H new ATOM 973 N ILE A 66 -8.440 9.298 2.908 1.00 0.00 N ATOM 974 CA ILE A 66 -8.500 8.156 2.004 1.00 0.00 C ATOM 975 C ILE A 66 -8.146 8.566 0.578 1.00 0.00 C ATOM 976 O ILE A 66 -8.649 9.565 0.065 1.00 0.00 O ATOM 977 CB ILE A 66 -9.897 7.508 2.008 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.277 7.072 3.424 1.00 0.00 C ATOM 979 CG2 ILE A 66 -9.932 6.322 1.055 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.459 5.908 3.938 1.00 0.00 C ATOM 0 H ILE A 66 -9.336 9.760 3.064 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.771 7.430 2.363 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.625 8.245 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.156 7.918 4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.332 6.799 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.926 5.874 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.700 6.660 0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.196 5.582 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.783 5.653 4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.599 5.048 3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.404 6.183 3.954 1.00 0.00 H new ATOM 992 N VAL A 67 -7.278 7.785 -0.057 1.00 0.00 N ATOM 993 CA VAL A 67 -6.859 8.064 -1.426 1.00 0.00 C ATOM 994 C VAL A 67 -6.906 6.804 -2.283 1.00 0.00 C ATOM 995 O VAL A 67 -5.991 5.982 -2.248 1.00 0.00 O ATOM 996 CB VAL A 67 -5.433 8.646 -1.468 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.099 9.141 -2.867 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.285 9.765 -0.448 1.00 0.00 C ATOM 0 H VAL A 67 -6.851 6.955 0.354 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.557 8.799 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.728 7.855 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.088 9.549 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.163 8.312 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.806 9.918 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.272 10.165 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.998 10.558 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.479 9.375 0.551 1.00 0.00 H new ATOM 1008 N ARG A 68 -7.980 6.659 -3.053 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.148 5.498 -3.920 1.00 0.00 C ATOM 1010 C ARG A 68 -7.492 5.734 -5.276 1.00 0.00 C ATOM 1011 O ARG A 68 -7.256 6.875 -5.674 1.00 0.00 O ATOM 1012 CB ARG A 68 -9.634 5.187 -4.107 1.00 0.00 C ATOM 1013 CG ARG A 68 -10.306 4.646 -2.855 1.00 0.00 C ATOM 1014 CD ARG A 68 -11.778 5.025 -2.804 1.00 0.00 C ATOM 1015 NE ARG A 68 -12.474 4.369 -1.702 1.00 0.00 N ATOM 1016 CZ ARG A 68 -13.753 4.581 -1.411 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -14.471 5.425 -2.138 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -14.316 3.945 -0.392 1.00 0.00 N ATOM 0 H ARG A 68 -8.747 7.331 -3.094 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.662 4.646 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.149 6.094 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.746 4.461 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.208 3.561 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.799 5.034 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.870 6.106 -2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.255 4.754 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.950 3.712 -1.124 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.042 5.914 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.453 5.585 -1.912 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.767 3.293 0.168 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.298 4.108 -0.169 1.00 0.00 H new ATOM 1032 N SER A 69 -7.199 4.647 -5.983 1.00 0.00 N ATOM 1033 CA SER A 69 -6.565 4.734 -7.293 1.00 0.00 C ATOM 1034 C SER A 69 -7.589 4.534 -8.406 1.00 0.00 C ATOM 1035 O SER A 69 -8.751 4.220 -8.147 1.00 0.00 O ATOM 1036 CB SER A 69 -5.452 3.692 -7.416 1.00 0.00 C ATOM 1037 OG SER A 69 -4.489 4.084 -8.379 1.00 0.00 O ATOM 0 H SER A 69 -7.391 3.695 -5.670 1.00 0.00 H new ATOM 0 HA SER A 69 -6.133 5.730 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.969 3.556 -6.449 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.880 2.730 -7.696 1.00 0.00 H new ATOM 0 HG SER A 69 -4.207 5.006 -8.203 1.00 0.00 H new ATOM 1043 N HIS A 70 -7.150 4.719 -9.647 1.00 0.00 N ATOM 1044 CA HIS A 70 -8.027 4.559 -10.801 1.00 0.00 C ATOM 1045 C HIS A 70 -8.304 3.083 -11.073 1.00 0.00 C ATOM 1046 O HIS A 70 -9.423 2.607 -10.887 1.00 0.00 O ATOM 1047 CB HIS A 70 -7.403 5.209 -12.037 1.00 0.00 C ATOM 1048 CG HIS A 70 -8.033 4.773 -13.324 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -8.932 5.550 -14.023 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -7.884 3.634 -14.040 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -9.313 4.906 -15.112 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -8.691 3.742 -15.147 1.00 0.00 N ATOM 0 H HIS A 70 -6.192 4.980 -9.879 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.973 5.053 -10.578 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.487 6.292 -11.949 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.339 4.973 -12.064 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.250 2.797 -13.788 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.014 5.270 -15.848 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.793 3.037 -15.877 1.00 0.00 H new ATOM 1061 N GLY A 71 -7.276 2.365 -11.514 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.429 0.951 -11.804 1.00 0.00 C ATOM 1063 C GLY A 71 -7.067 0.074 -10.623 1.00 0.00 C ATOM 1064 O GLY A 71 -7.132 0.510 -9.473 1.00 0.00 O ATOM 0 H GLY A 71 -6.340 2.737 -11.676 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.460 0.753 -12.097 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.800 0.688 -12.654 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.686 -1.168 -10.905 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.312 -2.110 -9.856 1.00 0.00 C ATOM 1070 C VAL A 72 -4.799 -2.160 -9.676 1.00 0.00 C ATOM 1071 O VAL A 72 -4.238 -3.205 -9.347 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.828 -3.528 -10.166 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -8.348 -3.549 -10.194 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -6.255 -4.027 -11.484 1.00 0.00 C ATOM 0 H VAL A 72 -6.628 -1.545 -11.851 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.773 -1.757 -8.934 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.494 -4.198 -9.374 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.694 -4.559 -10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.734 -3.237 -9.224 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.707 -2.866 -10.964 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.630 -5.030 -11.687 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.557 -3.357 -12.289 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.167 -4.052 -11.421 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.145 -1.023 -9.893 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.696 -0.937 -9.753 1.00 0.00 C ATOM 1086 C GLN A 73 -2.290 -0.919 -8.283 1.00 0.00 C ATOM 1087 O GLN A 73 -3.028 -0.424 -7.430 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.169 0.315 -10.457 1.00 0.00 C ATOM 1089 CG GLN A 73 -2.446 1.601 -9.695 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.749 2.256 -10.111 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -4.811 1.947 -9.573 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -3.673 3.167 -11.075 1.00 0.00 N ATOM 0 H GLN A 73 -4.595 -0.149 -10.166 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.258 -1.819 -10.219 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.094 0.214 -10.605 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.621 0.384 -11.446 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.476 1.387 -8.627 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.625 2.299 -9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.771 3.393 -11.494 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.517 3.641 -11.397 1.00 0.00 H new ATOM 1101 N THR A 74 -1.112 -1.464 -7.994 1.00 0.00 N ATOM 1102 CA THR A 74 -0.609 -1.512 -6.627 1.00 0.00 C ATOM 1103 C THR A 74 0.361 -0.366 -6.357 1.00 0.00 C ATOM 1104 O THR A 74 1.125 -0.401 -5.394 1.00 0.00 O ATOM 1105 CB THR A 74 0.100 -2.848 -6.336 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.173 -3.046 -7.264 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.878 -4.010 -6.428 1.00 0.00 C ATOM 0 H THR A 74 -0.489 -1.878 -8.688 1.00 0.00 H new ATOM 0 HA THR A 74 -1.473 -1.416 -5.969 1.00 0.00 H new ATOM 0 HB THR A 74 0.500 -2.809 -5.323 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.972 -3.344 -6.781 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.355 -4.943 -6.219 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.678 -3.871 -5.700 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.303 -4.049 -7.431 1.00 0.00 H new ATOM 1115 N MET A 75 0.323 0.649 -7.215 1.00 0.00 N ATOM 1116 CA MET A 75 1.199 1.806 -7.067 1.00 0.00 C ATOM 1117 C MET A 75 0.406 3.104 -7.178 1.00 0.00 C ATOM 1118 O MET A 75 -0.444 3.252 -8.057 1.00 0.00 O ATOM 1119 CB MET A 75 2.302 1.776 -8.127 1.00 0.00 C ATOM 1120 CG MET A 75 3.409 2.789 -7.880 1.00 0.00 C ATOM 1121 SD MET A 75 4.992 2.269 -8.568 1.00 0.00 S ATOM 1122 CE MET A 75 5.075 3.292 -10.035 1.00 0.00 C ATOM 0 H MET A 75 -0.304 0.694 -8.018 1.00 0.00 H new ATOM 0 HA MET A 75 1.655 1.762 -6.078 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.736 0.777 -8.160 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.860 1.964 -9.105 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.124 3.746 -8.317 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.518 2.948 -6.807 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.242 2.662 -10.909 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.138 3.836 -10.153 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.896 4.002 -9.937 1.00 0.00 H new ATOM 1132 N VAL A 76 0.688 4.044 -6.282 1.00 0.00 N ATOM 1133 CA VAL A 76 0.002 5.330 -6.279 1.00 0.00 C ATOM 1134 C VAL A 76 0.872 6.416 -5.656 1.00 0.00 C ATOM 1135 O VAL A 76 1.779 6.128 -4.876 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.332 5.253 -5.514 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -2.048 6.595 -5.552 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.213 4.154 -6.088 1.00 0.00 C ATOM 0 H VAL A 76 1.388 3.939 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.199 5.583 -7.320 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.120 5.010 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.989 6.521 -5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.419 7.356 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.250 6.871 -6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.152 4.114 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.419 4.364 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.701 3.196 -6.003 1.00 0.00 H new ATOM 1148 N VAL A 77 0.588 7.667 -6.005 1.00 0.00 N ATOM 1149 CA VAL A 77 1.343 8.798 -5.478 1.00 0.00 C ATOM 1150 C VAL A 77 0.459 9.698 -4.622 1.00 0.00 C ATOM 1151 O VAL A 77 -0.676 10.001 -4.989 1.00 0.00 O ATOM 1152 CB VAL A 77 1.965 9.634 -6.611 1.00 0.00 C ATOM 1153 CG1 VAL A 77 0.934 10.584 -7.202 1.00 0.00 C ATOM 1154 CG2 VAL A 77 3.178 10.400 -6.104 1.00 0.00 C ATOM 0 H VAL A 77 -0.159 7.923 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 77 2.141 8.386 -4.861 1.00 0.00 H new ATOM 0 HB VAL A 77 2.294 8.957 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.392 11.167 -8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.099 10.010 -7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.571 11.257 -6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.605 10.985 -6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.876 11.067 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.924 9.697 -5.733 1.00 0.00 H new ATOM 1164 N LEU A 78 0.988 10.123 -3.481 1.00 0.00 N ATOM 1165 CA LEU A 78 0.247 10.990 -2.571 1.00 0.00 C ATOM 1166 C LEU A 78 0.685 12.443 -2.726 1.00 0.00 C ATOM 1167 O LEU A 78 1.867 12.729 -2.909 1.00 0.00 O ATOM 1168 CB LEU A 78 0.448 10.537 -1.123 1.00 0.00 C ATOM 1169 CG LEU A 78 -0.099 9.152 -0.772 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.370 8.729 0.611 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.619 9.146 -0.846 1.00 0.00 C ATOM 0 H LEU A 78 1.927 9.882 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.811 10.919 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.516 10.550 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.022 11.269 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 78 0.284 8.435 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.029 7.742 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.459 8.695 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.016 9.447 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.992 8.153 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.020 9.874 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.935 9.406 -1.856 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.276 13.358 -2.648 1.00 0.00 N ATOM 1184 CA ASN A 79 0.011 14.782 -2.779 1.00 0.00 C ATOM 1185 C ASN A 79 -0.565 15.562 -1.602 1.00 0.00 C ATOM 1186 O ASN A 79 -1.203 14.992 -0.717 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.560 15.320 -4.092 1.00 0.00 C ATOM 1188 CG ASN A 79 -1.919 14.730 -4.416 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -2.946 15.393 -4.275 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -1.930 13.476 -4.855 1.00 0.00 N ATOM 0 H ASN A 79 -1.260 13.139 -2.495 1.00 0.00 H new ATOM 0 HA ASN A 79 1.093 14.911 -2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.643 16.405 -4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.132 15.098 -4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.814 13.026 -5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.054 12.964 -4.957 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.339 16.872 -1.599 1.00 0.00 N ATOM 1198 CA ASN A 80 -0.835 17.732 -0.531 1.00 0.00 C ATOM 1199 C ASN A 80 -0.224 17.342 0.811 1.00 0.00 C ATOM 1200 O ASN A 80 -0.919 17.265 1.825 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.361 17.651 -0.451 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.042 18.526 -1.486 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -2.437 19.452 -2.026 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -4.307 18.236 -1.767 1.00 0.00 N ATOM 0 H ASN A 80 0.185 17.361 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.542 18.757 -0.759 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.675 16.617 -0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.686 17.951 0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.817 18.790 -2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.769 17.459 -1.295 1.00 0.00 H new ATOM 1211 N LEU A 81 1.083 17.097 0.810 1.00 0.00 N ATOM 1212 CA LEU A 81 1.790 16.716 2.027 1.00 0.00 C ATOM 1213 C LEU A 81 2.819 17.774 2.414 1.00 0.00 C ATOM 1214 O LEU A 81 3.427 18.405 1.550 1.00 0.00 O ATOM 1215 CB LEU A 81 2.479 15.363 1.838 1.00 0.00 C ATOM 1216 CG LEU A 81 1.711 14.329 1.016 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.606 13.148 0.671 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.475 13.860 1.769 1.00 0.00 C ATOM 0 H LEU A 81 1.673 17.156 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 81 1.059 16.636 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.444 15.533 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.680 14.939 2.822 1.00 0.00 H new ATOM 0 HG LEU A 81 1.390 14.799 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.041 12.422 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.460 13.496 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.958 12.678 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.059 13.124 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.775 13.408 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.177 14.711 1.964 1.00 0.00 H new ATOM 1230 N GLU A 82 3.009 17.961 3.716 1.00 0.00 N ATOM 1231 CA GLU A 82 3.965 18.941 4.216 1.00 0.00 C ATOM 1232 C GLU A 82 5.358 18.331 4.333 1.00 0.00 C ATOM 1233 O GLU A 82 5.524 17.159 4.674 1.00 0.00 O ATOM 1234 CB GLU A 82 3.515 19.479 5.576 1.00 0.00 C ATOM 1235 CG GLU A 82 2.173 20.190 5.535 1.00 0.00 C ATOM 1236 CD GLU A 82 1.052 19.294 5.049 1.00 0.00 C ATOM 1237 OE1 GLU A 82 0.922 18.168 5.572 1.00 0.00 O ATOM 1238 OE2 GLU A 82 0.303 19.719 4.144 1.00 0.00 O ATOM 0 H GLU A 82 2.513 17.446 4.444 1.00 0.00 H new ATOM 0 HA GLU A 82 4.007 19.765 3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.457 18.652 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.271 20.168 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.931 20.559 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.247 21.060 4.882 1.00 0.00 H new ATOM 1245 N PRO A 83 6.386 19.143 4.044 1.00 0.00 N ATOM 1246 CA PRO A 83 7.784 18.706 4.110 1.00 0.00 C ATOM 1247 C PRO A 83 8.249 18.465 5.542 1.00 0.00 C ATOM 1248 O PRO A 83 7.634 18.947 6.493 1.00 0.00 O ATOM 1249 CB PRO A 83 8.551 19.875 3.488 1.00 0.00 C ATOM 1250 CG PRO A 83 7.675 21.061 3.704 1.00 0.00 C ATOM 1251 CD PRO A 83 6.263 20.551 3.631 1.00 0.00 C ATOM 0 HA PRO A 83 7.939 17.756 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.523 20.009 3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.736 19.707 2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.874 21.522 4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.855 21.822 2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.600 21.108 4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.855 20.640 2.624 1.00 0.00 H new ATOM 1259 N ASN A 84 9.339 17.718 5.687 1.00 0.00 N ATOM 1260 CA ASN A 84 9.886 17.415 7.005 1.00 0.00 C ATOM 1261 C ASN A 84 8.785 16.966 7.961 1.00 0.00 C ATOM 1262 O ASN A 84 8.783 17.330 9.138 1.00 0.00 O ATOM 1263 CB ASN A 84 10.606 18.638 7.575 1.00 0.00 C ATOM 1264 CG ASN A 84 11.525 18.283 8.729 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.092 17.704 9.725 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.800 18.630 8.598 1.00 0.00 N ATOM 0 H ASN A 84 9.860 17.312 4.910 1.00 0.00 H new ATOM 0 HA ASN A 84 10.601 16.600 6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.187 19.115 6.785 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.868 19.366 7.912 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.465 18.418 9.341 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.114 19.109 7.754 1.00 0.00 H new ATOM 1273 N THR A 85 7.851 16.172 7.449 1.00 0.00 N ATOM 1274 CA THR A 85 6.744 15.675 8.255 1.00 0.00 C ATOM 1275 C THR A 85 6.571 14.170 8.082 1.00 0.00 C ATOM 1276 O THR A 85 6.947 13.605 7.055 1.00 0.00 O ATOM 1277 CB THR A 85 5.423 16.378 7.893 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.506 17.771 8.209 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.254 15.751 8.638 1.00 0.00 C ATOM 0 H THR A 85 7.839 15.859 6.478 1.00 0.00 H new ATOM 0 HA THR A 85 6.988 15.893 9.295 1.00 0.00 H new ATOM 0 HB THR A 85 5.256 16.259 6.822 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.191 18.193 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.332 16.264 8.366 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.175 14.697 8.371 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.416 15.841 9.712 1.00 0.00 H new ATOM 1287 N THR A 86 5.998 13.524 9.094 1.00 0.00 N ATOM 1288 CA THR A 86 5.775 12.085 9.054 1.00 0.00 C ATOM 1289 C THR A 86 4.293 11.761 8.909 1.00 0.00 C ATOM 1290 O THR A 86 3.440 12.438 9.487 1.00 0.00 O ATOM 1291 CB THR A 86 6.317 11.396 10.320 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.718 11.661 10.459 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.083 9.894 10.262 1.00 0.00 C ATOM 0 H THR A 86 5.680 13.976 9.951 1.00 0.00 H new ATOM 0 HA THR A 86 6.314 11.707 8.185 1.00 0.00 H new ATOM 0 HB THR A 86 5.784 11.797 11.182 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.056 11.221 11.267 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.474 9.430 11.167 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.014 9.695 10.185 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.593 9.480 9.392 1.00 0.00 H new ATOM 1301 N TYR A 87 3.990 10.725 8.135 1.00 0.00 N ATOM 1302 CA TYR A 87 2.609 10.313 7.914 1.00 0.00 C ATOM 1303 C TYR A 87 2.486 8.793 7.919 1.00 0.00 C ATOM 1304 O TYR A 87 3.354 8.088 7.406 1.00 0.00 O ATOM 1305 CB TYR A 87 2.095 10.873 6.587 1.00 0.00 C ATOM 1306 CG TYR A 87 2.351 12.354 6.414 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.633 12.833 6.175 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.311 13.273 6.488 1.00 0.00 C ATOM 1309 CE1 TYR A 87 3.872 14.185 6.017 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.540 14.625 6.331 1.00 0.00 C ATOM 1311 CZ TYR A 87 2.823 15.076 6.096 1.00 0.00 C ATOM 1312 OH TYR A 87 3.057 16.424 5.938 1.00 0.00 O ATOM 0 H TYR A 87 4.683 10.155 7.650 1.00 0.00 H new ATOM 0 HA TYR A 87 2.003 10.710 8.728 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.568 10.333 5.767 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.023 10.687 6.515 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.457 12.137 6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.306 12.923 6.672 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.875 14.541 5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.720 15.326 6.392 1.00 0.00 H new ATOM 0 HH TYR A 87 2.221 16.919 6.068 1.00 0.00 H new ATOM 1322 N GLU A 88 1.400 8.295 8.502 1.00 0.00 N ATOM 1323 CA GLU A 88 1.163 6.859 8.575 1.00 0.00 C ATOM 1324 C GLU A 88 0.227 6.404 7.458 1.00 0.00 C ATOM 1325 O GLU A 88 -0.906 6.876 7.353 1.00 0.00 O ATOM 1326 CB GLU A 88 0.571 6.485 9.935 1.00 0.00 C ATOM 1327 CG GLU A 88 1.172 7.260 11.095 1.00 0.00 C ATOM 1328 CD GLU A 88 0.234 7.357 12.281 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -0.806 8.038 12.161 1.00 0.00 O ATOM 1330 OE2 GLU A 88 0.538 6.751 13.330 1.00 0.00 O ATOM 0 H GLU A 88 0.671 8.865 8.930 1.00 0.00 H new ATOM 0 HA GLU A 88 2.120 6.353 8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.505 6.657 9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.720 5.419 10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.098 6.778 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.433 8.264 10.760 1.00 0.00 H new ATOM 1337 N ILE A 89 0.709 5.487 6.627 1.00 0.00 N ATOM 1338 CA ILE A 89 -0.084 4.969 5.518 1.00 0.00 C ATOM 1339 C ILE A 89 -0.273 3.461 5.636 1.00 0.00 C ATOM 1340 O ILE A 89 0.579 2.758 6.178 1.00 0.00 O ATOM 1341 CB ILE A 89 0.570 5.288 4.161 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.057 4.329 3.085 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.085 5.209 4.271 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.447 4.732 1.680 1.00 0.00 C ATOM 0 H ILE A 89 1.644 5.087 6.700 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.056 5.460 5.568 1.00 0.00 H new ATOM 0 HB ILE A 89 0.299 6.304 3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.442 3.329 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.030 4.271 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.532 5.437 3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.434 5.929 5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.376 4.204 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.049 4.007 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.039 5.718 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.534 4.762 1.598 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.397 2.970 5.123 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.698 1.544 5.170 1.00 0.00 C ATOM 1358 C ARG A 90 -2.405 1.096 3.894 1.00 0.00 C ATOM 1359 O ARG A 90 -3.346 1.742 3.433 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.569 1.225 6.387 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.828 2.073 6.475 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.638 1.739 7.717 1.00 0.00 C ATOM 1363 NE ARG A 90 -5.901 2.472 7.760 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.741 2.430 8.788 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -6.454 1.694 9.853 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -7.871 3.125 8.752 1.00 0.00 N ATOM 0 H ARG A 90 -2.113 3.538 4.671 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.756 1.001 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.852 0.173 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.980 1.370 7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.557 3.129 6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.439 1.913 5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.839 0.668 7.741 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.052 1.974 8.606 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.152 3.048 6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.586 1.158 9.884 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.101 1.663 10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.095 3.692 7.934 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.515 3.092 9.542 1.00 0.00 H new ATOM 1380 N VAL A 91 -1.946 -0.016 3.328 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.534 -0.551 2.106 1.00 0.00 C ATOM 1382 C VAL A 91 -3.452 -1.729 2.409 1.00 0.00 C ATOM 1383 O VAL A 91 -3.067 -2.665 3.110 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.447 -1.003 1.112 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -2.076 -1.447 -0.200 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.441 0.114 0.880 1.00 0.00 C ATOM 0 H VAL A 91 -1.169 -0.564 3.697 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.116 0.253 1.656 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.918 -1.854 1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.294 -1.763 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.754 -2.280 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.631 -0.617 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.320 -0.222 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.953 0.986 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.032 0.380 1.825 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.667 -1.678 1.874 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.640 -2.743 2.085 1.00 0.00 C ATOM 1398 C ALA A 92 -6.356 -3.098 0.786 1.00 0.00 C ATOM 1399 O ALA A 92 -6.532 -2.249 -0.088 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.647 -2.334 3.150 1.00 0.00 C ATOM 0 H ALA A 92 -5.001 -0.911 1.291 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.104 -3.628 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.368 -3.138 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.126 -2.137 4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.170 -1.433 2.829 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.766 -4.356 0.665 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.464 -4.821 -0.526 1.00 0.00 C ATOM 1408 C ALA A 93 -8.969 -4.887 -0.292 1.00 0.00 C ATOM 1409 O ALA A 93 -9.431 -5.492 0.676 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.934 -6.184 -0.949 1.00 0.00 C ATOM 0 H ALA A 93 -6.626 -5.072 1.378 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.279 -4.105 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.464 -6.520 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.869 -6.108 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.089 -6.901 -0.143 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.730 -4.258 -1.182 1.00 0.00 N ATOM 1417 CA VAL A 94 -11.183 -4.245 -1.072 1.00 0.00 C ATOM 1418 C VAL A 94 -11.831 -4.960 -2.252 1.00 0.00 C ATOM 1419 O VAL A 94 -11.505 -4.693 -3.408 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.728 -2.806 -0.998 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -13.248 -2.806 -1.048 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -11.227 -2.111 0.260 1.00 0.00 C ATOM 0 H VAL A 94 -9.364 -3.751 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.434 -4.770 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.361 -2.252 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.614 -1.781 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.581 -3.262 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.640 -3.375 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.621 -1.096 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.563 -2.662 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.138 -2.077 0.247 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.751 -5.872 -1.952 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.445 -6.627 -2.988 1.00 0.00 C ATOM 1434 C ASN A 95 -14.920 -6.800 -2.640 1.00 0.00 C ATOM 1435 O ASN A 95 -15.397 -6.275 -1.635 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.790 -7.998 -3.175 1.00 0.00 C ATOM 1437 CG ASN A 95 -13.252 -9.006 -2.141 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -13.813 -8.639 -1.107 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -13.021 -10.284 -2.416 1.00 0.00 N ATOM 0 H ASN A 95 -13.033 -6.105 -1.000 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.373 -6.067 -3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -13.019 -8.374 -4.172 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.707 -7.891 -3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.311 -11.008 -1.759 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.553 -10.542 -3.285 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.638 -7.542 -3.478 1.00 0.00 N ATOM 1447 CA GLY A 96 -17.051 -7.772 -3.242 1.00 0.00 C ATOM 1448 C GLY A 96 -17.343 -8.158 -1.805 1.00 0.00 C ATOM 1449 O GLY A 96 -18.384 -7.797 -1.257 1.00 0.00 O ATOM 0 H GLY A 96 -15.266 -7.988 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.610 -6.871 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.403 -8.561 -3.906 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.424 -8.896 -1.194 1.00 0.00 N ATOM 1454 CA LYS A 97 -16.587 -9.334 0.187 1.00 0.00 C ATOM 1455 C LYS A 97 -16.544 -8.145 1.143 1.00 0.00 C ATOM 1456 O LYS A 97 -17.396 -8.010 2.020 1.00 0.00 O ATOM 1457 CB LYS A 97 -15.494 -10.339 0.558 1.00 0.00 C ATOM 1458 CG LYS A 97 -15.324 -11.455 -0.459 1.00 0.00 C ATOM 1459 CD LYS A 97 -16.378 -12.536 -0.282 1.00 0.00 C ATOM 1460 CE LYS A 97 -17.616 -12.248 -1.117 1.00 0.00 C ATOM 1461 NZ LYS A 97 -17.514 -12.838 -2.480 1.00 0.00 N ATOM 0 H LYS A 97 -15.557 -9.204 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 97 -17.561 -9.816 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.547 -9.810 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.728 -10.776 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.389 -11.044 -1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.331 -11.893 -0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.962 -13.502 -0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.655 -12.607 0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.496 -12.648 -0.613 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.757 -11.170 -1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.377 -12.620 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.689 -12.437 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.405 -13.869 -2.404 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.546 -7.284 0.965 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.413 -6.118 1.819 1.00 0.00 C ATOM 1477 C GLY A 98 -13.986 -5.608 1.884 1.00 0.00 C ATOM 1478 O GLY A 98 -13.229 -5.738 0.921 1.00 0.00 O ATOM 0 H GLY A 98 -14.828 -7.373 0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.063 -5.325 1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.753 -6.367 2.824 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.619 -5.025 3.020 1.00 0.00 N ATOM 1483 CA GLN A 99 -12.274 -4.491 3.205 1.00 0.00 C ATOM 1484 C GLN A 99 -11.435 -5.420 4.075 1.00 0.00 C ATOM 1485 O GLN A 99 -11.568 -5.430 5.298 1.00 0.00 O ATOM 1486 CB GLN A 99 -12.339 -3.099 3.838 1.00 0.00 C ATOM 1487 CG GLN A 99 -10.982 -2.428 3.968 1.00 0.00 C ATOM 1488 CD GLN A 99 -11.073 -0.915 3.939 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -12.015 -0.329 4.473 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -10.093 -0.274 3.314 1.00 0.00 N ATOM 0 H GLN A 99 -14.233 -4.910 3.826 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.801 -4.416 2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.992 -2.466 3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.792 -3.179 4.826 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.514 -2.742 4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.335 -2.765 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.332 -0.800 2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.101 0.745 3.262 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.570 -6.201 3.435 1.00 0.00 N ATOM 1500 CA GLY A 100 -9.722 -7.123 4.166 1.00 0.00 C ATOM 1501 C GLY A 100 -8.926 -6.438 5.259 1.00 0.00 C ATOM 1502 O GLY A 100 -9.068 -5.235 5.477 1.00 0.00 O ATOM 0 H GLY A 100 -10.442 -6.211 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.338 -7.907 4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.036 -7.609 3.472 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.089 -7.205 5.949 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.267 -6.664 7.026 1.00 0.00 C ATOM 1508 C ASP A 101 -6.233 -5.683 6.481 1.00 0.00 C ATOM 1509 O ASP A 101 -5.637 -5.915 5.429 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.568 -7.795 7.780 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.484 -8.482 8.774 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -8.576 -8.930 8.362 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -7.111 -8.573 9.961 1.00 0.00 O ATOM 0 H ASP A 101 -7.962 -8.203 5.782 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.921 -6.129 7.715 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.197 -8.529 7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.701 -7.395 8.306 1.00 0.00 H new ATOM 1518 N TYR A 102 -6.026 -4.588 7.203 1.00 0.00 N ATOM 1519 CA TYR A 102 -5.067 -3.571 6.790 1.00 0.00 C ATOM 1520 C TYR A 102 -3.636 -4.065 6.976 1.00 0.00 C ATOM 1521 O TYR A 102 -3.317 -4.720 7.969 1.00 0.00 O ATOM 1522 CB TYR A 102 -5.281 -2.283 7.589 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.524 -1.522 7.186 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -6.506 -0.639 6.113 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -7.718 -1.687 7.879 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -7.639 0.059 5.744 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -8.856 -0.993 7.515 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.811 -0.122 6.447 1.00 0.00 C ATOM 1529 OH TYR A 102 -9.943 0.571 6.079 1.00 0.00 O ATOM 0 H TYR A 102 -6.509 -4.382 8.077 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.227 -3.365 5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.343 -2.529 8.649 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.412 -1.637 7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.590 -0.496 5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.757 -2.369 8.716 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.607 0.743 4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.776 -1.132 8.064 1.00 0.00 H new ATOM 0 HH TYR A 102 -10.683 0.329 6.675 1.00 0.00 H new ATOM 1539 N SER A 103 -2.776 -3.745 6.014 1.00 0.00 N ATOM 1540 CA SER A 103 -1.379 -4.158 6.068 1.00 0.00 C ATOM 1541 C SER A 103 -0.635 -3.413 7.173 1.00 0.00 C ATOM 1542 O SER A 103 -1.024 -2.314 7.568 1.00 0.00 O ATOM 1543 CB SER A 103 -0.697 -3.908 4.721 1.00 0.00 C ATOM 1544 OG SER A 103 -0.735 -2.534 4.379 1.00 0.00 O ATOM 0 H SER A 103 -3.023 -3.201 5.187 1.00 0.00 H new ATOM 0 HA SER A 103 -1.350 -5.225 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.338 -4.247 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.191 -4.493 3.945 1.00 0.00 H new ATOM 0 HG SER A 103 -1.435 -2.383 3.710 1.00 0.00 H new ATOM 1550 N LYS A 104 0.439 -4.020 7.667 1.00 0.00 N ATOM 1551 CA LYS A 104 1.241 -3.416 8.725 1.00 0.00 C ATOM 1552 C LYS A 104 1.362 -1.909 8.523 1.00 0.00 C ATOM 1553 O LYS A 104 1.952 -1.451 7.544 1.00 0.00 O ATOM 1554 CB LYS A 104 2.633 -4.050 8.764 1.00 0.00 C ATOM 1555 CG LYS A 104 3.332 -3.901 10.103 1.00 0.00 C ATOM 1556 CD LYS A 104 2.791 -4.884 11.128 1.00 0.00 C ATOM 1557 CE LYS A 104 3.556 -6.198 11.099 1.00 0.00 C ATOM 1558 NZ LYS A 104 2.832 -7.278 11.824 1.00 0.00 N ATOM 0 H LYS A 104 0.774 -4.930 7.352 1.00 0.00 H new ATOM 0 HA LYS A 104 0.739 -3.598 9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.547 -5.110 8.525 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.251 -3.597 7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.403 -4.060 9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.203 -2.883 10.470 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.857 -4.446 12.124 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.735 -5.072 10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.718 -6.501 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.539 -6.056 11.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.386 -8.157 11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.699 -7.001 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.904 -7.432 11.381 1.00 0.00 H new ATOM 1572 N ILE A 105 0.803 -1.144 9.454 1.00 0.00 N ATOM 1573 CA ILE A 105 0.852 0.310 9.379 1.00 0.00 C ATOM 1574 C ILE A 105 2.237 0.793 8.963 1.00 0.00 C ATOM 1575 O ILE A 105 3.236 0.471 9.605 1.00 0.00 O ATOM 1576 CB ILE A 105 0.479 0.957 10.726 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.981 0.659 11.073 1.00 0.00 C ATOM 1578 CG2 ILE A 105 0.723 2.458 10.679 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.972 1.373 10.180 1.00 0.00 C ATOM 0 H ILE A 105 0.310 -1.508 10.270 1.00 0.00 H new ATOM 0 HA ILE A 105 0.123 0.611 8.626 1.00 0.00 H new ATOM 0 HB ILE A 105 1.112 0.531 11.504 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.150 -0.416 11.004 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.166 0.945 12.109 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.455 2.900 11.638 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.776 2.649 10.473 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.113 2.901 9.892 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.987 1.115 10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.830 2.450 10.267 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.814 1.069 9.145 1.00 0.00 H new ATOM 1591 N GLU A 106 2.288 1.568 7.884 1.00 0.00 N ATOM 1592 CA GLU A 106 3.552 2.096 7.382 1.00 0.00 C ATOM 1593 C GLU A 106 3.745 3.547 7.813 1.00 0.00 C ATOM 1594 O GLU A 106 2.778 4.294 7.963 1.00 0.00 O ATOM 1595 CB GLU A 106 3.602 1.995 5.856 1.00 0.00 C ATOM 1596 CG GLU A 106 3.766 0.574 5.345 1.00 0.00 C ATOM 1597 CD GLU A 106 5.010 -0.101 5.889 1.00 0.00 C ATOM 1598 OE1 GLU A 106 6.102 0.496 5.784 1.00 0.00 O ATOM 1599 OE2 GLU A 106 4.892 -1.226 6.418 1.00 0.00 O ATOM 0 H GLU A 106 1.470 1.844 7.341 1.00 0.00 H new ATOM 0 HA GLU A 106 4.360 1.499 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.686 2.417 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.428 2.602 5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.889 -0.011 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.810 0.586 4.256 1.00 0.00 H new ATOM 1606 N ILE A 107 4.999 3.936 8.013 1.00 0.00 N ATOM 1607 CA ILE A 107 5.319 5.297 8.427 1.00 0.00 C ATOM 1608 C ILE A 107 6.439 5.882 7.573 1.00 0.00 C ATOM 1609 O ILE A 107 7.578 5.416 7.618 1.00 0.00 O ATOM 1610 CB ILE A 107 5.737 5.351 9.908 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.681 4.672 10.784 1.00 0.00 C ATOM 1612 CG2 ILE A 107 5.950 6.792 10.347 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.217 4.191 12.113 1.00 0.00 C ATOM 0 H ILE A 107 5.810 3.329 7.895 1.00 0.00 H new ATOM 0 HA ILE A 107 4.414 5.889 8.291 1.00 0.00 H new ATOM 0 HB ILE A 107 6.678 4.814 10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.864 5.372 10.963 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.262 3.824 10.242 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.245 6.813 11.396 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.734 7.245 9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.024 7.352 10.219 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.414 3.721 12.680 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.014 3.467 11.943 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.610 5.038 12.675 1.00 0.00 H new ATOM 1625 N PHE A 108 6.108 6.907 6.795 1.00 0.00 N ATOM 1626 CA PHE A 108 7.086 7.558 5.931 1.00 0.00 C ATOM 1627 C PHE A 108 7.199 9.044 6.259 1.00 0.00 C ATOM 1628 O PHE A 108 6.213 9.687 6.618 1.00 0.00 O ATOM 1629 CB PHE A 108 6.699 7.377 4.461 1.00 0.00 C ATOM 1630 CG PHE A 108 5.432 8.088 4.082 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.385 9.472 4.040 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.288 7.373 3.768 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.221 10.130 3.691 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.120 8.025 3.419 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.086 9.405 3.382 1.00 0.00 C ATOM 0 H PHE A 108 5.170 7.305 6.745 1.00 0.00 H new ATOM 0 HA PHE A 108 8.055 7.091 6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.512 7.740 3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.586 6.313 4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.269 10.043 4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.309 6.294 3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.198 11.209 3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.235 7.456 3.176 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.174 9.917 3.112 1.00 0.00 H new ATOM 1645 N GLN A 109 8.408 9.582 6.133 1.00 0.00 N ATOM 1646 CA GLN A 109 8.650 10.991 6.418 1.00 0.00 C ATOM 1647 C GLN A 109 9.121 11.726 5.167 1.00 0.00 C ATOM 1648 O GLN A 109 10.114 11.344 4.546 1.00 0.00 O ATOM 1649 CB GLN A 109 9.687 11.138 7.531 1.00 0.00 C ATOM 1650 CG GLN A 109 10.061 12.581 7.829 1.00 0.00 C ATOM 1651 CD GLN A 109 11.336 12.698 8.641 1.00 0.00 C ATOM 1652 OE1 GLN A 109 12.439 12.577 8.108 1.00 0.00 O ATOM 1653 NE2 GLN A 109 11.191 12.934 9.940 1.00 0.00 N ATOM 0 H GLN A 109 9.235 9.064 5.836 1.00 0.00 H new ATOM 0 HA GLN A 109 7.711 11.435 6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.300 10.677 8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.586 10.589 7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.182 13.122 6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.245 13.059 8.370 1.00 0.00 H new ATOM 0 HE21 GLN A 109 10.257 13.027 10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.013 13.022 10.537 1.00 0.00 H new ATOM 1662 N THR A 110 8.403 12.783 4.801 1.00 0.00 N ATOM 1663 CA THR A 110 8.747 13.570 3.624 1.00 0.00 C ATOM 1664 C THR A 110 10.133 14.189 3.762 1.00 0.00 C ATOM 1665 O THR A 110 10.605 14.436 4.872 1.00 0.00 O ATOM 1666 CB THR A 110 7.718 14.690 3.377 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.648 15.550 4.521 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.342 14.108 3.088 1.00 0.00 C ATOM 0 H THR A 110 7.579 13.114 5.303 1.00 0.00 H new ATOM 0 HA THR A 110 8.741 12.887 2.774 1.00 0.00 H new ATOM 0 HB THR A 110 8.040 15.265 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.790 16.023 4.523 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.633 14.918 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.393 13.477 2.201 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.013 13.512 3.939 1.00 0.00 H new ATOM 1676 N LEU A 111 10.779 14.439 2.629 1.00 0.00 N ATOM 1677 CA LEU A 111 12.112 15.031 2.624 1.00 0.00 C ATOM 1678 C LEU A 111 12.052 16.512 2.981 1.00 0.00 C ATOM 1679 O LEU A 111 11.128 17.231 2.600 1.00 0.00 O ATOM 1680 CB LEU A 111 12.765 14.852 1.252 1.00 0.00 C ATOM 1681 CG LEU A 111 12.900 13.412 0.755 1.00 0.00 C ATOM 1682 CD1 LEU A 111 13.294 13.389 -0.714 1.00 0.00 C ATOM 1683 CD2 LEU A 111 13.917 12.652 1.593 1.00 0.00 C ATOM 0 H LEU A 111 10.402 14.241 1.702 1.00 0.00 H new ATOM 0 HA LEU A 111 12.713 14.519 3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.186 15.415 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.759 15.299 1.284 1.00 0.00 H new ATOM 0 HG LEU A 111 11.933 12.920 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.385 12.356 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.530 13.896 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.249 13.898 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.000 11.629 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.887 13.143 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.593 12.638 2.634 1.00 0.00 H new ATOM 1695 N PRO A 112 13.060 16.982 3.729 1.00 0.00 N ATOM 1696 CA PRO A 112 13.146 18.383 4.153 1.00 0.00 C ATOM 1697 C PRO A 112 13.442 19.323 2.990 1.00 0.00 C ATOM 1698 O PRO A 112 14.486 19.220 2.344 1.00 0.00 O ATOM 1699 CB PRO A 112 14.310 18.382 5.149 1.00 0.00 C ATOM 1700 CG PRO A 112 15.149 17.218 4.749 1.00 0.00 C ATOM 1701 CD PRO A 112 14.196 16.182 4.220 1.00 0.00 C ATOM 0 HA PRO A 112 12.206 18.739 4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.875 19.313 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.954 18.280 6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.876 17.504 3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.712 16.832 5.599 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.647 15.592 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.889 15.484 4.999 1.00 0.00 H new ATOM 1709 N VAL A 113 12.517 20.241 2.727 1.00 0.00 N ATOM 1710 CA VAL A 113 12.679 21.201 1.641 1.00 0.00 C ATOM 1711 C VAL A 113 14.141 21.600 1.474 1.00 0.00 C ATOM 1712 O VAL A 113 14.721 22.253 2.342 1.00 0.00 O ATOM 1713 CB VAL A 113 11.837 22.468 1.883 1.00 0.00 C ATOM 1714 CG1 VAL A 113 12.050 23.472 0.760 1.00 0.00 C ATOM 1715 CG2 VAL A 113 10.364 22.111 2.019 1.00 0.00 C ATOM 0 H VAL A 113 11.648 20.340 3.251 1.00 0.00 H new ATOM 0 HA VAL A 113 12.333 20.711 0.731 1.00 0.00 H new ATOM 0 HB VAL A 113 12.163 22.928 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 113 11.447 24.361 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.103 23.750 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.752 23.025 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.784 23.018 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.021 21.627 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.231 21.431 2.861 1.00 0.00 H new